smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1ccccc1O)c1cc2c(s1)CCNC2 ZINC000710844227 809996239 /nfs/dbraw/zinc/99/62/39/809996239.db2.gz MSIDKYIHCAYLAE-UHFFFAOYSA-N 0 3 288.372 2.029 20 10 CECDHN COc1ccc(C[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000724625527 803221332 /nfs/dbraw/zinc/22/13/32/803221332.db2.gz XVZHORCNWUXILT-PJXYFTJBSA-N 0 3 265.353 2.446 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CC23CC(O)C3)c1[O-] ZINC000724975609 803376784 /nfs/dbraw/zinc/37/67/84/803376784.db2.gz OGDOGWFAMOBEBQ-KSGYAGIASA-N 0 3 283.755 2.057 20 10 CECDHN CC[C@@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000692842331 804136009 /nfs/dbraw/zinc/13/60/09/804136009.db2.gz NNLSBBDMBVDXCF-CYBMUJFWSA-N 0 3 285.409 2.258 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCOCCF)c1[O-] ZINC000702647382 809574132 /nfs/dbraw/zinc/57/41/32/809574132.db2.gz UMAMKMKDRDCTPH-UHFFFAOYSA-N 0 3 277.723 2.130 20 10 CECDHN CN1CC[C@@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651074 /nfs/dbraw/zinc/65/10/74/809651074.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457852 809651076 /nfs/dbraw/zinc/65/10/76/809651076.db2.gz FUDPKBKJCOIYAM-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CC1([NH3+])CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000704594056 809739160 /nfs/dbraw/zinc/73/91/60/809739160.db2.gz CLGUQLGOTQLLOR-UHFFFAOYSA-N 0 3 254.761 2.359 20 10 CECDHN C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168977158 811307591 /nfs/dbraw/zinc/30/75/91/811307591.db2.gz IKVJRLGUQSKPPG-TUAOUCFPSA-N 0 3 264.325 2.488 20 10 CECDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCO1 ZINC001170176529 812324076 /nfs/dbraw/zinc/32/40/76/812324076.db2.gz YALKFPDCCZFAAW-AAEUAGOBSA-N 0 3 251.326 2.145 20 10 CECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CCO1 ZINC001170176531 812324916 /nfs/dbraw/zinc/32/49/16/812324916.db2.gz YALKFPDCCZFAAW-WCQYABFASA-N 0 3 251.326 2.145 20 10 CECDHN N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185999 815567289 /nfs/dbraw/zinc/56/72/89/815567289.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 0 3 272.751 2.307 20 10 CECDHN N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185999 815567290 /nfs/dbraw/zinc/56/72/90/815567290.db2.gz PQULNPHMOZLYPQ-VXGBXAGGSA-N 0 3 272.751 2.307 20 10 CECDHN CO[C@H]([C@H](C)[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000388278589 813235830 /nfs/dbraw/zinc/23/58/30/813235830.db2.gz KNCIOTGZYAIBOL-LKFCYVNXSA-N 0 3 253.317 2.434 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c([O-])c1 ZINC000714353667 814897522 /nfs/dbraw/zinc/89/75/22/814897522.db2.gz ZOCXKACUGWGOKB-STQMWFEESA-N 0 3 297.420 2.319 20 10 CECDHN Cc1n[nH]c(C)c1CN1CCc2cccc(O)c2C1 ZINC001139100784 815959743 /nfs/dbraw/zinc/95/97/43/815959743.db2.gz YTWWZLIIYWNSAY-UHFFFAOYSA-N 0 3 257.337 2.290 20 10 CECDHN Cc1cccc(O)c1CN1CC[C@@](N)(C(F)(F)F)C1 ZINC001206250577 816217214 /nfs/dbraw/zinc/21/72/14/816217214.db2.gz HZJMBTLOAGRCFQ-LBPRGKRZSA-N 0 3 274.286 2.166 20 10 CECDHN Cc1c(O)ccc(CN2CCN(c3cccnc3)CC2)c1O ZINC001140744283 816339633 /nfs/dbraw/zinc/33/96/33/816339633.db2.gz RVFJLFJYSSTVCL-UHFFFAOYSA-N 0 3 299.374 2.123 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](OC)CC2)c(OC)c1 ZINC001141029136 816450452 /nfs/dbraw/zinc/45/04/52/816450452.db2.gz JTKHHYPNQWDQEJ-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC)CC2)c(OC)c1 ZINC001141029136 816450453 /nfs/dbraw/zinc/45/04/53/816450453.db2.gz JTKHHYPNQWDQEJ-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)c(OC)c1 ZINC001141032357 816451967 /nfs/dbraw/zinc/45/19/67/816451967.db2.gz ZJXLEYCUCGYVDK-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)c(OC)c1 ZINC001141032357 816451971 /nfs/dbraw/zinc/45/19/71/816451971.db2.gz ZJXLEYCUCGYVDK-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c(OC)c1 ZINC001141031972 816452506 /nfs/dbraw/zinc/45/25/06/816452506.db2.gz OWKAIPLMMASILJ-BDJLRTHQSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c(OC)c1 ZINC001141031972 816452514 /nfs/dbraw/zinc/45/25/14/816452514.db2.gz OWKAIPLMMASILJ-BDJLRTHQSA-N 0 3 295.379 2.002 20 10 CECDHN CN1CCOc2cc(CN3CCC[C@H]4C[C@H]43)ccc21 ZINC001141144556 816485148 /nfs/dbraw/zinc/48/51/48/816485148.db2.gz GSJXSECVLCWCAV-DZGCQCFKSA-N 0 3 258.365 2.500 20 10 CECDHN C[C@]1(C[NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001206317811 816690769 /nfs/dbraw/zinc/69/07/69/816690769.db2.gz IUTUOXBKSHNODG-INIZCTEOSA-N 0 3 292.379 2.041 20 10 CECDHN C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001206317811 816690773 /nfs/dbraw/zinc/69/07/73/816690773.db2.gz IUTUOXBKSHNODG-INIZCTEOSA-N 0 3 292.379 2.041 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000093482924 344225339 /nfs/dbraw/zinc/22/53/39/344225339.db2.gz NTZMHZATWDNPCR-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000093482924 344225341 /nfs/dbraw/zinc/22/53/41/344225341.db2.gz NTZMHZATWDNPCR-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cc(O)c(CN2CCSC[C@@H]2C)cc1OC ZINC000179444582 344504937 /nfs/dbraw/zinc/50/49/37/344504937.db2.gz OAIMJDFKQQEHHY-JTQLQIEISA-N 0 3 283.393 2.347 20 10 CECDHN CCOc1cccc(CN2CCCOCC2)c1O ZINC000134192340 366295884 /nfs/dbraw/zinc/29/58/84/366295884.db2.gz DXFPXZMGPUECQH-UHFFFAOYSA-N 0 3 251.326 2.013 20 10 CECDHN CC(C)N1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729015 363996537 /nfs/dbraw/zinc/99/65/37/363996537.db2.gz ROMNGQXXKAVRHQ-BBRMVZONSA-N 0 3 289.423 2.413 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)CN(C)C(C)C ZINC000170731715 367401558 /nfs/dbraw/zinc/40/15/58/367401558.db2.gz IFHQVCZQWVGINF-UHFFFAOYSA-N 0 3 278.396 2.471 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245735185 370866355 /nfs/dbraw/zinc/86/63/55/370866355.db2.gz KORRKFBCILBXLX-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1[O-] ZINC000245735185 370866359 /nfs/dbraw/zinc/86/63/59/370866359.db2.gz KORRKFBCILBXLX-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000179895062 368357360 /nfs/dbraw/zinc/35/73/60/368357360.db2.gz FSNIBCPGMJWVGS-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000179895062 368357361 /nfs/dbraw/zinc/35/73/61/368357361.db2.gz FSNIBCPGMJWVGS-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1cccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1[O-] ZINC000180328438 368376838 /nfs/dbraw/zinc/37/68/38/368376838.db2.gz XXWKWIIWZVSZMV-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246013775 370900155 /nfs/dbraw/zinc/90/01/55/370900155.db2.gz UCFLJPKMCILRFK-OCCSQVGLSA-N 0 3 283.368 2.238 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246013775 370900157 /nfs/dbraw/zinc/90/01/57/370900157.db2.gz UCFLJPKMCILRFK-OCCSQVGLSA-N 0 3 283.368 2.238 20 10 CECDHN COc1cc(Cl)cc(CN2CCC[C@@H](CO)C2)c1O ZINC000184669919 368710887 /nfs/dbraw/zinc/71/08/87/368710887.db2.gz UVGDCDNXMBAMST-SNVBAGLBSA-N 0 3 285.771 2.259 20 10 CECDHN Cc1noc(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])n1 ZINC000185972742 368896235 /nfs/dbraw/zinc/89/62/35/368896235.db2.gz WXBUDZUZNLRNQL-MRVPVSSYSA-N 0 3 265.288 2.116 20 10 CECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cccc(C)c2[O-])C1(C)C ZINC000188908008 369427641 /nfs/dbraw/zinc/42/76/41/369427641.db2.gz VREXSYRLETYNSF-PBHICJAKSA-N 0 3 293.407 2.356 20 10 CECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000188906166 369427815 /nfs/dbraw/zinc/42/78/15/369427815.db2.gz YNZBOCBONNPOPV-GOEBONIOSA-N 0 3 297.370 2.187 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)C ZINC000266594508 372049754 /nfs/dbraw/zinc/04/97/54/372049754.db2.gz VHPKNWOBXRIPDL-OAHLLOKOSA-N 0 3 281.396 2.390 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC(C)C ZINC000266594508 372049757 /nfs/dbraw/zinc/04/97/57/372049757.db2.gz VHPKNWOBXRIPDL-OAHLLOKOSA-N 0 3 281.396 2.390 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CC(=O)N(C)C2)cc1 ZINC000268899183 372278375 /nfs/dbraw/zinc/27/83/75/372278375.db2.gz ZPUMCZSUWPLJEP-OCCSQVGLSA-N 0 3 275.396 2.024 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000269351185 372426187 /nfs/dbraw/zinc/42/61/87/372426187.db2.gz KKQWSBWPXSEIHE-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000269351185 372426196 /nfs/dbraw/zinc/42/61/96/372426196.db2.gz KKQWSBWPXSEIHE-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)cc1OC ZINC000271112967 373124656 /nfs/dbraw/zinc/12/46/56/373124656.db2.gz UWEFHPWJAMGNEA-JTQLQIEISA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)cc1OC ZINC000271112967 373124667 /nfs/dbraw/zinc/12/46/67/373124667.db2.gz UWEFHPWJAMGNEA-JTQLQIEISA-N 0 3 251.326 2.251 20 10 CECDHN CCNC(=O)[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392025 373755547 /nfs/dbraw/zinc/75/55/47/373755547.db2.gz LBFPGJGANNTBTL-NEPJUHHUSA-N 0 3 290.407 2.446 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c([O-])c1C ZINC000273411827 373755990 /nfs/dbraw/zinc/75/59/90/373755990.db2.gz PVMRHEGWJAZVOF-GXTWGEPZSA-N 0 3 276.380 2.328 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591202 373766347 /nfs/dbraw/zinc/76/63/47/373766347.db2.gz PHWHMQNXXGPYBX-DOMZBBRYSA-N 0 3 293.407 2.319 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273587006 373766477 /nfs/dbraw/zinc/76/64/77/373766477.db2.gz OAXGDCVGZICDDC-QWHCGFSZSA-N 0 3 267.369 2.057 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912446 /nfs/dbraw/zinc/91/24/46/373912446.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371526822 373912450 /nfs/dbraw/zinc/91/24/50/373912450.db2.gz FXFOSJVIYPCMQN-IIAWOOMASA-N 0 3 290.382 2.447 20 10 CECDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375410239 374657978 /nfs/dbraw/zinc/65/79/78/374657978.db2.gz GCNIGIZPKOSSGV-ZOBUZTSGSA-N 0 3 291.391 2.144 20 10 CECDHN C[C@]1(O)CCOC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375410239 374657980 /nfs/dbraw/zinc/65/79/80/374657980.db2.gz GCNIGIZPKOSSGV-ZOBUZTSGSA-N 0 3 291.391 2.144 20 10 CECDHN COc1ccc(CNCC2([S@](C)=O)CC2)cc1C ZINC000282485606 375494951 /nfs/dbraw/zinc/49/49/51/375494951.db2.gz VRMKDUSEJWBORI-SFHVURJKSA-N 0 3 267.394 2.004 20 10 CECDHN COc1ccc(CNCC2([S@@](C)=O)CC2)cc1C ZINC000282485603 375495362 /nfs/dbraw/zinc/49/53/62/375495362.db2.gz VRMKDUSEJWBORI-GOSISDBHSA-N 0 3 267.394 2.004 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC ZINC000282519606 375505632 /nfs/dbraw/zinc/50/56/32/375505632.db2.gz SZBKLJVGBGJNOY-HNNXBMFYSA-N 0 3 281.396 2.392 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC ZINC000282519606 375505637 /nfs/dbraw/zinc/50/56/37/375505637.db2.gz SZBKLJVGBGJNOY-HNNXBMFYSA-N 0 3 281.396 2.392 20 10 CECDHN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000282992876 375631119 /nfs/dbraw/zinc/63/11/19/375631119.db2.gz KDKWZMLQDMMZSG-CYBMUJFWSA-N 0 3 275.327 2.432 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000285265723 375838721 /nfs/dbraw/zinc/83/87/21/375838721.db2.gz QNKXFPNULKXHIP-STQMWFEESA-N 0 3 297.420 2.094 20 10 CECDHN CCCNC(=O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293651453 377679018 /nfs/dbraw/zinc/67/90/18/377679018.db2.gz IPGAXEJXCBXHTA-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN CCCNC(=O)CN[C@H](C)c1c(C)cc(C)cc1O ZINC000293651453 377679023 /nfs/dbraw/zinc/67/90/23/377679023.db2.gz IPGAXEJXCBXHTA-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000294804140 378021299 /nfs/dbraw/zinc/02/12/99/378021299.db2.gz PEKPETZJTQNDLP-OLZOCXBDSA-N 0 3 288.391 2.423 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](C)CCCO)c1 ZINC000294850044 378023230 /nfs/dbraw/zinc/02/32/30/378023230.db2.gz RZTIQVWYVVSITP-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1ccnc1)CC2 ZINC000295790335 378304885 /nfs/dbraw/zinc/30/48/85/378304885.db2.gz BOBUBWROKSXYKE-CYBMUJFWSA-N 0 3 257.337 2.256 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296307939 378485714 /nfs/dbraw/zinc/48/57/14/378485714.db2.gz DXIZCHZQJLHJFG-CHWSQXEVSA-N 0 3 290.363 2.200 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCO[C@@H]1CCOC1)CC2 ZINC000297540141 378686771 /nfs/dbraw/zinc/68/67/71/378686771.db2.gz DYWBIMHDKVUDBG-KGLIPLIRSA-N 0 3 277.364 2.165 20 10 CECDHN CCN1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000298673440 378796818 /nfs/dbraw/zinc/79/68/18/378796818.db2.gz WSYOJPQECYISGW-UHFFFAOYSA-N 0 3 291.395 2.018 20 10 CECDHN [O-]c1cccc2c1[C@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217566 380197207 /nfs/dbraw/zinc/19/72/07/380197207.db2.gz UAVNJYAOGDBZSK-OCCSQVGLSA-N 0 3 258.365 2.254 20 10 CECDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@@]2(CCOC2)O1 ZINC000373498659 395061494 /nfs/dbraw/zinc/06/14/94/395061494.db2.gz ZYPMJJNGZUFKNJ-NVXWUHKLSA-N 0 3 291.391 2.471 20 10 CECDHN COc1cccc(CN2CCC[C@H]3OCC[C@H]32)c1O ZINC000373490843 395061933 /nfs/dbraw/zinc/06/19/33/395061933.db2.gz RQGMGPOQNFWPGQ-CHWSQXEVSA-N 0 3 263.337 2.154 20 10 CECDHN CCC[N@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000174371580 395124095 /nfs/dbraw/zinc/12/40/95/395124095.db2.gz RWQFHYMRVMGTNW-UHFFFAOYSA-N 0 3 292.423 2.327 20 10 CECDHN CCC[N@@H+](CCCN1CCOCC1)Cc1ccccc1[O-] ZINC000174371580 395124097 /nfs/dbraw/zinc/12/40/97/395124097.db2.gz RWQFHYMRVMGTNW-UHFFFAOYSA-N 0 3 292.423 2.327 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293342906 395229541 /nfs/dbraw/zinc/22/95/41/395229541.db2.gz DFLBNWKTGQHRPO-AWEZNQCLSA-N 0 3 276.380 2.056 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000182391971 395240963 /nfs/dbraw/zinc/24/09/63/395240963.db2.gz PUCSOOFZWJBXFE-GXTWGEPZSA-N 0 3 295.379 2.247 20 10 CECDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000188468705 395316068 /nfs/dbraw/zinc/31/60/68/395316068.db2.gz XYASKUSVXUBQMF-CQSZACIVSA-N 0 3 291.439 2.489 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1[O-] ZINC000183862887 395265804 /nfs/dbraw/zinc/26/58/04/395265804.db2.gz AKEGKOYMPMGIPQ-MOCULFSLSA-N 0 3 255.383 2.200 20 10 CECDHN Cc1cccc(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529643061 395425916 /nfs/dbraw/zinc/42/59/16/395425916.db2.gz IELASHPAZPAFAU-SFHVURJKSA-N 0 3 299.370 2.156 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000365680051 296541890 /nfs/dbraw/zinc/54/18/90/296541890.db2.gz RHDWTKMWMFSJOL-HZPDHXFCSA-N 0 3 291.391 2.192 20 10 CECDHN CC(C)C[C@H](C[NH2+]Cc1ccccc1[O-])N(C)C ZINC000020201265 171065416 /nfs/dbraw/zinc/06/54/16/171065416.db2.gz UEFTWVDFTSWMPN-CQSZACIVSA-N 0 3 250.386 2.458 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000036932891 260052311 /nfs/dbraw/zinc/05/23/11/260052311.db2.gz RSRDIOIWMBTULR-HIFRSBDPSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000155936985 261109799 /nfs/dbraw/zinc/10/97/99/261109799.db2.gz PKOXZESLHKKWAD-GOEBONIOSA-N 0 3 292.423 2.401 20 10 CECDHN CC[C@H]([NH2+]CCN(C)CCCOC)c1ccccc1[O-] ZINC000156028089 261111428 /nfs/dbraw/zinc/11/14/28/261111428.db2.gz SCXUKGYPGNIPQC-HNNXBMFYSA-N 0 3 280.412 2.401 20 10 CECDHN C[C@@H](NCCOCCO)c1ccc(N2CCCCC2)cc1 ZINC000159172433 261179879 /nfs/dbraw/zinc/17/98/79/261179879.db2.gz TVYGNZQSZPYGEO-OAHLLOKOSA-N 0 3 292.423 2.336 20 10 CECDHN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1O ZINC000182563134 261943521 /nfs/dbraw/zinc/94/35/21/261943521.db2.gz RAFQAVPHDPFSKE-NEPJUHHUSA-N 0 3 292.379 2.009 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000184916952 262033100 /nfs/dbraw/zinc/03/31/00/262033100.db2.gz DMOKPKRHAQSFHD-GFCCVEGCSA-N 0 3 288.347 2.374 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185008873 262038085 /nfs/dbraw/zinc/03/80/85/262038085.db2.gz XKJGCELCPGDFKY-AWEZNQCLSA-N 0 3 280.412 2.320 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000185788947 262070828 /nfs/dbraw/zinc/07/08/28/262070828.db2.gz PQJVQZARQCIGCA-PWSUYJOCSA-N 0 3 280.343 2.193 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186030248 262076507 /nfs/dbraw/zinc/07/65/07/262076507.db2.gz JRNQKXLOSYITFV-NEPJUHHUSA-N 0 3 285.409 2.174 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000368593389 262126876 /nfs/dbraw/zinc/12/68/76/262126876.db2.gz SQVFZUYOPFEVNH-LBPRGKRZSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000368593389 262126877 /nfs/dbraw/zinc/12/68/77/262126877.db2.gz SQVFZUYOPFEVNH-LBPRGKRZSA-N 0 3 263.337 2.023 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[C@H](C)O)c1 ZINC000185521234 262305857 /nfs/dbraw/zinc/30/58/57/262305857.db2.gz UREYOKZFOMPGCO-WOPDTQHZSA-N 0 3 267.369 2.458 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])C1CC1 ZINC000186153596 262312441 /nfs/dbraw/zinc/31/24/41/262312441.db2.gz GGCFXJWWWFQYMX-YGRLFVJLSA-N 0 3 265.353 2.476 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cc1OC ZINC000282364303 263076055 /nfs/dbraw/zinc/07/60/55/263076055.db2.gz PVYMTIWKKMZDDS-WCQYABFASA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)cc1OC ZINC000282364303 263076056 /nfs/dbraw/zinc/07/60/56/263076056.db2.gz PVYMTIWKKMZDDS-WCQYABFASA-N 0 3 295.379 2.409 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2COC[C@@H]2OC)cc1 ZINC000289883411 263112522 /nfs/dbraw/zinc/11/25/22/263112522.db2.gz SBPGNTXZLMMKTN-HOTGVXAUSA-N 0 3 278.396 2.036 20 10 CECDHN COc1cccc(C[N@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291241886 263120910 /nfs/dbraw/zinc/12/09/10/263120910.db2.gz LHNRZCKBKRKRPA-ZDUSSCGKSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1[O-] ZINC000291241886 263120911 /nfs/dbraw/zinc/12/09/11/263120911.db2.gz LHNRZCKBKRKRPA-ZDUSSCGKSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1[O-] ZINC000293051289 264918114 /nfs/dbraw/zinc/91/81/14/264918114.db2.gz ROFZXTVBLPTHPK-IAQYHMDHSA-N 0 3 265.353 2.042 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000367439293 267090394 /nfs/dbraw/zinc/09/03/94/267090394.db2.gz SUJSMJIWSNDOLB-VAHXTSCQSA-N 0 3 292.354 2.239 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000368133455 267146760 /nfs/dbraw/zinc/14/67/60/267146760.db2.gz URJYARALXSUHDQ-RHSMWYFYSA-N 0 3 285.343 2.285 20 10 CECDHN COc1cccc(CN2CCOCC[C@@H]2C)c1O ZINC000368143006 267148761 /nfs/dbraw/zinc/14/87/61/267148761.db2.gz OSYZJXXWAYGYMM-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN Cc1ccc(O)c(CN2CC[C@H](NC(=O)C3CCC3)C2)c1 ZINC000371383638 267397749 /nfs/dbraw/zinc/39/77/49/267397749.db2.gz OUUOPXXSWNYANU-HNNXBMFYSA-N 0 3 288.391 2.191 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296401116 275453688 /nfs/dbraw/zinc/45/36/88/275453688.db2.gz KIDZLIZYCMALMO-ZFWWWQNUSA-N 0 3 288.391 2.228 20 10 CECDHN CN1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488711 290158737 /nfs/dbraw/zinc/15/87/37/290158737.db2.gz BIFCYWKXWBFESD-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488711 290158740 /nfs/dbraw/zinc/15/87/40/290158740.db2.gz BIFCYWKXWBFESD-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488711 290158742 /nfs/dbraw/zinc/15/87/42/290158742.db2.gz BIFCYWKXWBFESD-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488711 290158746 /nfs/dbraw/zinc/15/87/46/290158746.db2.gz BIFCYWKXWBFESD-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1[O-] ZINC000185831131 327846989 /nfs/dbraw/zinc/84/69/89/327846989.db2.gz YQPQYKJILNBUSH-JBLDHEPKSA-N 0 3 251.301 2.119 20 10 CECDHN CCCNC(=O)CN(CCC)Cc1cc(C)ccc1O ZINC000092192549 327189470 /nfs/dbraw/zinc/18/94/70/327189470.db2.gz KKCGOALESUQJMY-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CCCO)c1 ZINC000294863030 327576287 /nfs/dbraw/zinc/57/62/87/327576287.db2.gz TZDRTLOOZMMCMP-NWDGAFQWSA-N 0 3 267.369 2.460 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])CC1(C)C ZINC000378443967 329050410 /nfs/dbraw/zinc/05/04/10/329050410.db2.gz ODVKICAPLIGYFP-ZDUSSCGKSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC1(C)C ZINC000378443967 329050412 /nfs/dbraw/zinc/05/04/12/329050412.db2.gz ODVKICAPLIGYFP-ZDUSSCGKSA-N 0 3 277.364 2.332 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-] ZINC000190347201 329395200 /nfs/dbraw/zinc/39/52/00/329395200.db2.gz PBJAYHXDSMQAGF-NFAWXSAZSA-N 0 3 277.364 2.448 20 10 CECDHN CCn1nncc1CN[C@@H](C)c1cc(C)ccc1O ZINC000527913730 330294944 /nfs/dbraw/zinc/29/49/44/330294944.db2.gz BEVWTZXZTDRJRG-NSHDSACASA-N 0 3 260.341 2.163 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000226582987 333265304 /nfs/dbraw/zinc/26/53/04/333265304.db2.gz OZYSBXQBIVIDKW-CQSZACIVSA-N 0 3 283.343 2.207 20 10 CECDHN COc1cccc(C[NH2+]CC[C@H]2CCCCO2)c1[O-] ZINC000227338497 333281007 /nfs/dbraw/zinc/28/10/07/333281007.db2.gz ULYPZPNUCHGPRC-CYBMUJFWSA-N 0 3 265.353 2.450 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230664184 333319989 /nfs/dbraw/zinc/31/99/89/333319989.db2.gz NLTIHQNIFIVZBM-FZMZJTMJSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000235395894 333368864 /nfs/dbraw/zinc/36/88/64/333368864.db2.gz YGRDAZCVMFRGOB-QGZVFWFLSA-N 0 3 284.359 2.243 20 10 CECDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000235395894 333368865 /nfs/dbraw/zinc/36/88/65/333368865.db2.gz YGRDAZCVMFRGOB-QGZVFWFLSA-N 0 3 284.359 2.243 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1 ZINC000529667920 333504920 /nfs/dbraw/zinc/50/49/20/333504920.db2.gz BNZVELHFXPTMAE-LMCGPQHNSA-N 0 3 265.353 2.302 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(C)(C)C ZINC000135719347 334137016 /nfs/dbraw/zinc/13/70/16/334137016.db2.gz XDACWZXBIDJVTG-WDEREUQCSA-N 0 3 264.369 2.346 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@H](O)C2CC2)c([O-])c1 ZINC000265254581 520366874 /nfs/dbraw/zinc/36/68/74/520366874.db2.gz PDPXFWZFQKMPCB-HNNXBMFYSA-N 0 3 265.353 2.042 20 10 CECDHN CN(C)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1F ZINC000280464117 522183220 /nfs/dbraw/zinc/18/32/20/522183220.db2.gz MQENVMSYYOVHOJ-CQSZACIVSA-N 0 3 266.360 2.094 20 10 CECDHN CCCOc1ccc(C[NH+]2CC(C(C)(C)O)C2)c([O-])c1 ZINC000297520735 520349482 /nfs/dbraw/zinc/34/94/82/520349482.db2.gz YDDQCSNNNMMXJD-UHFFFAOYSA-N 0 3 279.380 2.384 20 10 CECDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)[C@H]1OC ZINC000274846223 520430236 /nfs/dbraw/zinc/43/02/36/520430236.db2.gz AGZSXSAASOBENG-NUEKZKHPSA-N 0 3 279.380 2.286 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291270817 521147850 /nfs/dbraw/zinc/14/78/50/521147850.db2.gz NUSKCUWDUHSTLV-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291270817 521147857 /nfs/dbraw/zinc/14/78/57/521147857.db2.gz NUSKCUWDUHSTLV-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291270817 521147864 /nfs/dbraw/zinc/14/78/64/521147864.db2.gz NUSKCUWDUHSTLV-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(CC3CC3)CC2)c1 ZINC000130679406 521148374 /nfs/dbraw/zinc/14/83/74/521148374.db2.gz AMPRJJMNUPAUPL-UHFFFAOYSA-N 0 3 290.407 2.319 20 10 CECDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@@H](C)OC ZINC000291273018 521294042 /nfs/dbraw/zinc/29/40/42/521294042.db2.gz ZORJRANJGDRWSI-LLVKDONJSA-N 0 3 283.368 2.266 20 10 CECDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@@H](C)OC ZINC000291273018 521294049 /nfs/dbraw/zinc/29/40/49/521294049.db2.gz ZORJRANJGDRWSI-LLVKDONJSA-N 0 3 283.368 2.266 20 10 CECDHN CCOc1cccc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000275961317 521333568 /nfs/dbraw/zinc/33/35/68/521333568.db2.gz KDKCARGCJDTITL-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000275961317 521333572 /nfs/dbraw/zinc/33/35/72/521333572.db2.gz KDKCARGCJDTITL-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000289364389 521334293 /nfs/dbraw/zinc/33/42/93/521334293.db2.gz KTVHJZYMDXTBNF-BETUJISGSA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000289364389 521334304 /nfs/dbraw/zinc/33/43/04/521334304.db2.gz KTVHJZYMDXTBNF-BETUJISGSA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1cccc(CNCc2cnn(C)c2C)c1O ZINC000156584921 521367425 /nfs/dbraw/zinc/36/74/25/521367425.db2.gz MQEGJJBEFXESRQ-UHFFFAOYSA-N 0 3 275.352 2.123 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)c1[O-] ZINC000274965501 521373603 /nfs/dbraw/zinc/37/36/03/521373603.db2.gz VFQNHEVUTMQPNM-XPKDYRNWSA-N 0 3 295.379 2.073 20 10 CECDHN CN(C)c1ccc(CN2C[C@H](O)C(C)(C)C2)cc1F ZINC000280464116 522184662 /nfs/dbraw/zinc/18/46/62/522184662.db2.gz MQENVMSYYOVHOJ-AWEZNQCLSA-N 0 3 266.360 2.094 20 10 CECDHN CC[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1[O-] ZINC000278468813 522573184 /nfs/dbraw/zinc/57/31/84/522573184.db2.gz NLYMIOXBFDCYIW-HNNXBMFYSA-N 0 3 290.407 2.298 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H](CO)CC2CCC2)cc1OC ZINC000279953010 522782605 /nfs/dbraw/zinc/78/26/05/522782605.db2.gz ZSGYJGCZTHALFE-CYBMUJFWSA-N 0 3 295.379 2.050 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000279949803 522922416 /nfs/dbraw/zinc/92/24/16/522922416.db2.gz BQHMZDCXHXRNLQ-TZMCWYRMSA-N 0 3 276.380 2.362 20 10 CECDHN CC[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245552 522946439 /nfs/dbraw/zinc/94/64/39/522946439.db2.gz WGHBTXGVDRNHLL-HUUCEWRRSA-N 0 3 289.379 2.208 20 10 CECDHN Cc1c([C@@H](C)NCc2cc3c(cc2O)OCO3)cnn1C ZINC000042880115 525897648 /nfs/dbraw/zinc/89/76/48/525897648.db2.gz WSHVRWHJSIVIDC-SECBINFHSA-N 0 3 289.335 2.014 20 10 CECDHN Cc1cnn([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000290822780 526267160 /nfs/dbraw/zinc/26/71/60/526267160.db2.gz GYWJSNGDVHIWPC-CQSZACIVSA-N 0 3 275.327 2.483 20 10 CECDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000290822780 526267161 /nfs/dbraw/zinc/26/71/61/526267161.db2.gz GYWJSNGDVHIWPC-CQSZACIVSA-N 0 3 275.327 2.483 20 10 CECDHN O=C(CNCc1ccc(N2CCCCC2)cc1)NC1CC1 ZINC000035247220 526884443 /nfs/dbraw/zinc/88/44/43/526884443.db2.gz SGBKAIKCJGSTKX-UHFFFAOYSA-N 0 3 287.407 2.045 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289685255 527594653 /nfs/dbraw/zinc/59/46/53/527594653.db2.gz OCCXOPSSMVIIRD-RYUDHWBXSA-N 0 3 289.297 2.385 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000289685255 527594658 /nfs/dbraw/zinc/59/46/58/527594658.db2.gz OCCXOPSSMVIIRD-RYUDHWBXSA-N 0 3 289.297 2.385 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000761215281 574520087 /nfs/dbraw/zinc/52/00/87/574520087.db2.gz JAVJZCZYDIUXHE-NSHDSACASA-N 0 3 298.814 2.486 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000740899577 574971062 /nfs/dbraw/zinc/97/10/62/574971062.db2.gz JGYCJEMBXMOBIG-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)CC(=O)OC)c([O-])c1 ZINC000741254810 574979468 /nfs/dbraw/zinc/97/94/68/574979468.db2.gz FSUWJUKQGZPZSO-UHFFFAOYSA-N 0 3 281.352 2.222 20 10 CECDHN CCOCc1cc(CN[C@H](C)COC)ccc1OC ZINC000747855099 575175895 /nfs/dbraw/zinc/17/58/95/575175895.db2.gz ZXZONKLWQZBYCQ-GFCCVEGCSA-N 0 3 267.369 2.356 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccncc1 ZINC000749294403 575212888 /nfs/dbraw/zinc/21/28/88/575212888.db2.gz GQIBHVBEKUBEQF-NSHDSACASA-N 0 3 286.331 2.409 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@H]2CCCOC2)c([O-])c1OC ZINC000891948490 624133227 /nfs/dbraw/zinc/13/32/27/624133227.db2.gz JSZNQNUFKYQVIN-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)c([O-])c1OC ZINC000891948490 624133229 /nfs/dbraw/zinc/13/32/29/624133229.db2.gz JSZNQNUFKYQVIN-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN CC(C)[NH+]1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000820546794 634445256 /nfs/dbraw/zinc/44/52/56/634445256.db2.gz QZBXQARGZOCMOD-UHFFFAOYSA-N 0 3 282.409 2.399 20 10 CECDHN COc1ccc(C[NH2+]C[C@@](C)(OC)C2CC2)c([O-])c1 ZINC000311629229 627683298 /nfs/dbraw/zinc/68/32/98/627683298.db2.gz YTJMXMSBZYBEJT-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312651259 628358594 /nfs/dbraw/zinc/35/85/94/628358594.db2.gz FNLNXBKJSVPHAC-GFCCVEGCSA-N 0 3 276.380 2.274 20 10 CECDHN C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902467032 634685004 /nfs/dbraw/zinc/68/50/04/634685004.db2.gz KNXOWKRSVVRPNC-LOHPEHISSA-N 0 3 250.317 2.075 20 10 CECDHN CN1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000261305291 629229917 /nfs/dbraw/zinc/22/99/17/629229917.db2.gz JHIDIJNZWSFOAD-UHFFFAOYSA-N 0 3 256.349 2.293 20 10 CECDHN CC1=C(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794878383 629344578 /nfs/dbraw/zinc/34/45/78/629344578.db2.gz CQRHWGAWGKHNOQ-OAHLLOKOSA-N 0 3 275.348 2.360 20 10 CECDHN CC1=C(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000794878383 629344581 /nfs/dbraw/zinc/34/45/81/629344581.db2.gz CQRHWGAWGKHNOQ-OAHLLOKOSA-N 0 3 275.348 2.360 20 10 CECDHN FC[C@@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895575929 630255700 /nfs/dbraw/zinc/25/57/00/630255700.db2.gz WEDRBWMNRKJBQZ-AWEZNQCLSA-N 0 3 296.361 2.454 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccoc2)c([O-])c1 ZINC000895583996 630260269 /nfs/dbraw/zinc/26/02/69/630260269.db2.gz AWINNOMVYAAWDU-AWEZNQCLSA-N 0 3 275.348 2.234 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCNC1=O ZINC000801595534 631295938 /nfs/dbraw/zinc/29/59/38/631295938.db2.gz FIQNABFBEDVAGM-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCNC1=O ZINC000801595534 631295942 /nfs/dbraw/zinc/29/59/42/631295942.db2.gz FIQNABFBEDVAGM-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN COc1ccc(N2CCC(NCc3ncc[nH]3)CC2)cc1 ZINC000067696790 631668250 /nfs/dbraw/zinc/66/82/50/631668250.db2.gz DKCUZVKDNBZLDD-UHFFFAOYSA-N 0 3 286.379 2.177 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000808703598 632002690 /nfs/dbraw/zinc/00/26/90/632002690.db2.gz PCDWQEKDINWNNQ-RKDXNWHRSA-N 0 3 270.760 2.269 20 10 CECDHN COc1cccc(CNCc2ccc(F)nc2)c1O ZINC000809740001 632135535 /nfs/dbraw/zinc/13/55/35/632135535.db2.gz JTCGZYGYFBIGMN-UHFFFAOYSA-N 0 3 262.284 2.225 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809777494 632144594 /nfs/dbraw/zinc/14/45/94/632144594.db2.gz ALYRCYWIEUQFAP-CQSZACIVSA-N 0 3 276.380 2.130 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809777494 632144595 /nfs/dbraw/zinc/14/45/95/632144595.db2.gz ALYRCYWIEUQFAP-CQSZACIVSA-N 0 3 276.380 2.130 20 10 CECDHN CCOc1ccc(C[NH2+][C@@](C)(CO)C(C)C)c([O-])c1 ZINC000810172986 632191046 /nfs/dbraw/zinc/19/10/46/632191046.db2.gz SXLFDQXWAXEBGR-HNNXBMFYSA-N 0 3 267.369 2.288 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCC1(F)F ZINC000811780537 632444613 /nfs/dbraw/zinc/44/46/13/632444613.db2.gz OKYWLVRPEXVOBP-ZANVPECISA-N 0 3 299.317 2.295 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCC1(F)F ZINC000811780537 632444619 /nfs/dbraw/zinc/44/46/19/632444619.db2.gz OKYWLVRPEXVOBP-ZANVPECISA-N 0 3 299.317 2.295 20 10 CECDHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCC1(F)F ZINC000811780537 632444623 /nfs/dbraw/zinc/44/46/23/632444623.db2.gz OKYWLVRPEXVOBP-ZANVPECISA-N 0 3 299.317 2.295 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c([O-])c1 ZINC000812779598 632577059 /nfs/dbraw/zinc/57/70/59/632577059.db2.gz SNMREJUJOXTALV-CQSZACIVSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)c([O-])c1 ZINC000812779598 632577062 /nfs/dbraw/zinc/57/70/62/632577062.db2.gz SNMREJUJOXTALV-CQSZACIVSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000817412578 633651302 /nfs/dbraw/zinc/65/13/02/633651302.db2.gz MVWFCQXTLISADQ-OLZOCXBDSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000817412578 633651306 /nfs/dbraw/zinc/65/13/06/633651306.db2.gz MVWFCQXTLISADQ-OLZOCXBDSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c([O-])c1 ZINC000817415454 633654931 /nfs/dbraw/zinc/65/49/31/633654931.db2.gz XGPVANFZKGAWLP-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c([O-])c1 ZINC000817415454 633654935 /nfs/dbraw/zinc/65/49/35/633654935.db2.gz XGPVANFZKGAWLP-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418972 633655572 /nfs/dbraw/zinc/65/55/72/633655572.db2.gz MURNBSJGNDMAEH-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817418972 633655576 /nfs/dbraw/zinc/65/55/76/633655576.db2.gz MURNBSJGNDMAEH-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942393 633790802 /nfs/dbraw/zinc/79/08/02/633790802.db2.gz YFRLBPLKIPSKOJ-DGCLKSJQSA-N 0 3 252.333 2.324 20 10 CECDHN C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817952537 633797755 /nfs/dbraw/zinc/79/77/55/633797755.db2.gz RMZBOPIPBXVTON-GXSJLCMTSA-N 0 3 254.761 2.448 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000818357988 633914934 /nfs/dbraw/zinc/91/49/34/633914934.db2.gz MKQIJUMPITXDPI-QCNRFFRDSA-N 0 3 251.301 2.193 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000818614615 633960945 /nfs/dbraw/zinc/96/09/45/633960945.db2.gz CWTUEICNTKVSLR-ZLKJLUDKSA-N 0 3 292.379 2.099 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN2C)c2c1c(F)ccc2[O-] ZINC000903317403 635064041 /nfs/dbraw/zinc/06/40/41/635064041.db2.gz KGGHHEVWHDIFNG-JFGNBEQYSA-N 0 3 264.344 2.373 20 10 CECDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824636262 635466786 /nfs/dbraw/zinc/46/67/86/635466786.db2.gz NNMIDFDFTSCGLF-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824636262 635466793 /nfs/dbraw/zinc/46/67/93/635466793.db2.gz NNMIDFDFTSCGLF-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN COC[C@@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000825158532 635582209 /nfs/dbraw/zinc/58/22/09/635582209.db2.gz OZDQYZMPAUHUQQ-HNNXBMFYSA-N 0 3 299.798 2.185 20 10 CECDHN COC[C@@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000825158532 635582212 /nfs/dbraw/zinc/58/22/12/635582212.db2.gz OZDQYZMPAUHUQQ-HNNXBMFYSA-N 0 3 299.798 2.185 20 10 CECDHN COC1CC(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826796666 635848923 /nfs/dbraw/zinc/84/89/23/635848923.db2.gz MOYOQZLULJLZKZ-UHFFFAOYSA-N 0 3 253.317 2.436 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]C/C=C/CO)c1[O-] ZINC000826936762 636166980 /nfs/dbraw/zinc/16/69/80/636166980.db2.gz DUPKOZHSTKXJGU-NSCUHMNNSA-N 0 3 286.169 2.101 20 10 CECDHN CN(C)c1ccc(/C=C\CN(C)C[C@@H]2COCCO2)cc1 ZINC000827140355 636233448 /nfs/dbraw/zinc/23/34/48/636233448.db2.gz KWLSCFYHBPSQJJ-VGOKWCNXSA-N 0 3 290.407 2.113 20 10 CECDHN CCCC[N@H+](CC[S@@](C)=O)Cc1ccccc1[O-] ZINC000829515751 636872851 /nfs/dbraw/zinc/87/28/51/636872851.db2.gz GEMKMTYGBQITDC-GOSISDBHSA-N 0 3 269.410 2.373 20 10 CECDHN CCCC[N@@H+](CC[S@@](C)=O)Cc1ccccc1[O-] ZINC000829515751 636872855 /nfs/dbraw/zinc/87/28/55/636872855.db2.gz GEMKMTYGBQITDC-GOSISDBHSA-N 0 3 269.410 2.373 20 10 CECDHN CCN(C)c1ccc(CN2CC[C@@](O)(C(F)F)C2)cc1 ZINC000831180802 637247872 /nfs/dbraw/zinc/24/78/72/637247872.db2.gz AKFXFGZQRURLLM-HNNXBMFYSA-N 0 3 284.350 2.345 20 10 CECDHN CN(C)[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834518684 637851420 /nfs/dbraw/zinc/85/14/20/637851420.db2.gz MGNUFBIWZVKZNR-UONOGXRCSA-N 0 3 260.381 2.309 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834559114 637865856 /nfs/dbraw/zinc/86/58/56/637865856.db2.gz ZPJYWGFEJRMOBR-OLZOCXBDSA-N 0 3 290.363 2.200 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834902838 637982720 /nfs/dbraw/zinc/98/27/20/637982720.db2.gz DJXLJJXOXZSQDA-LEJCRSTHSA-N 0 3 295.354 2.473 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834908863 637984868 /nfs/dbraw/zinc/98/48/68/637984868.db2.gz MJHMPXJNDGTMFB-SWLSCSKDSA-N 0 3 262.353 2.102 20 10 CECDHN CN(C)c1ccc(/C=C/CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000835046114 638037006 /nfs/dbraw/zinc/03/70/06/638037006.db2.gz SSGKMRDBHLRIDM-PIXXYMSQSA-N 0 3 272.392 2.080 20 10 CECDHN CN(CC(=O)NCc1ccc2cccnc2c1O)C1CCC1 ZINC000911261726 638268639 /nfs/dbraw/zinc/26/86/39/638268639.db2.gz LKYPDVTUVXHOLM-UHFFFAOYSA-N 0 3 299.374 2.041 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(CCC(N)=O)CC1 ZINC000876758495 650422354 /nfs/dbraw/zinc/42/23/54/650422354.db2.gz GXPBTGSBEVFERH-UHFFFAOYSA-N 0 3 276.380 2.178 20 10 CECDHN COC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000164476208 639378990 /nfs/dbraw/zinc/37/89/90/639378990.db2.gz OFJCWARNWYXSJK-UHFFFAOYSA-N 0 3 271.316 2.469 20 10 CECDHN CC[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000840882672 639571460 /nfs/dbraw/zinc/57/14/60/639571460.db2.gz JPOCTGLWGLZKHG-ZDUSSCGKSA-N 0 3 283.393 2.010 20 10 CECDHN CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000840889245 639573489 /nfs/dbraw/zinc/57/34/89/639573489.db2.gz QIOAMDKICPHITK-SNVBAGLBSA-N 0 3 289.372 2.007 20 10 CECDHN CCOCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000158277582 639583572 /nfs/dbraw/zinc/58/35/72/639583572.db2.gz GDOYTMWTKFMQPT-UHFFFAOYSA-N 0 3 278.396 2.244 20 10 CECDHN COc1ccc(O)c(CN2CCCc3c(cnn3C)C2)c1 ZINC000840954727 639599901 /nfs/dbraw/zinc/59/99/01/639599901.db2.gz MXSFEMPHXHOCSK-UHFFFAOYSA-N 0 3 287.363 2.083 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977972 639606860 /nfs/dbraw/zinc/60/68/60/639606860.db2.gz OKBKBOHRLCTFIM-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C(C)(C)CN1CCOCC1 ZINC000840977972 639606864 /nfs/dbraw/zinc/60/68/64/639606864.db2.gz OKBKBOHRLCTFIM-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841065110 639641099 /nfs/dbraw/zinc/64/10/99/639641099.db2.gz NFSPPKSTCHLDMG-UFBFGSQYSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000841065110 639641103 /nfs/dbraw/zinc/64/11/03/639641103.db2.gz NFSPPKSTCHLDMG-UFBFGSQYSA-N 0 3 272.751 2.415 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccccc1[O-] ZINC000228929477 639665269 /nfs/dbraw/zinc/66/52/69/639665269.db2.gz RNHQNXFXQZONGU-YPMHNXCESA-N 0 3 264.369 2.346 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)Nc1ccccn1 ZINC000876979371 650517153 /nfs/dbraw/zinc/51/71/53/650517153.db2.gz CZYVQZBYYDIZPB-UHFFFAOYSA-N 0 3 285.347 2.214 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)c([O-])c1 ZINC000877053648 650550905 /nfs/dbraw/zinc/55/09/05/650550905.db2.gz UZQBAOROVOELID-CYBMUJFWSA-N 0 3 257.337 2.071 20 10 CECDHN CC(C)(C)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000842882264 640212261 /nfs/dbraw/zinc/21/22/61/640212261.db2.gz PPJFXOYLJKDBQV-QWHCGFSZSA-N 0 3 288.391 2.369 20 10 CECDHN CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000916361573 640760449 /nfs/dbraw/zinc/76/04/49/640760449.db2.gz PNRXWEJOOTZBGN-LLVKDONJSA-N 0 3 297.374 2.061 20 10 CECDHN CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000916361573 640760453 /nfs/dbraw/zinc/76/04/53/640760453.db2.gz PNRXWEJOOTZBGN-LLVKDONJSA-N 0 3 297.374 2.061 20 10 CECDHN COCC[NH2+]C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000844901794 640859921 /nfs/dbraw/zinc/85/99/21/640859921.db2.gz YNHRUTWZTYVUNL-UHFFFAOYSA-N 0 3 298.814 2.246 20 10 CECDHN COc1cccc([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141264 641199450 /nfs/dbraw/zinc/19/94/50/641199450.db2.gz HEQXJJMHCBHBDA-GHMZBOCLSA-N 0 3 294.395 2.355 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c([O-])c1 ZINC000185777949 642028665 /nfs/dbraw/zinc/02/86/65/642028665.db2.gz VTLQAJOYQAJSDL-CJNGLKHVSA-N 0 3 279.380 2.140 20 10 CECDHN CCc1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000848888236 642173347 /nfs/dbraw/zinc/17/33/47/642173347.db2.gz PMBRBWBQUVWEGL-CYBMUJFWSA-N 0 3 289.297 2.454 20 10 CECDHN CCc1cccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000848908380 642184042 /nfs/dbraw/zinc/18/40/42/642184042.db2.gz SHBWRCFMGLZWBO-CXAGYDPISA-N 0 3 291.391 2.334 20 10 CECDHN Cc1ccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877492000 650748487 /nfs/dbraw/zinc/74/84/87/650748487.db2.gz DSZUPFDFAZHKHB-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc(O)c(CNCc2ccnn2CC2CC2)c1 ZINC000850137343 642591210 /nfs/dbraw/zinc/59/12/10/642591210.db2.gz NFSIDFSYUFKZJX-UHFFFAOYSA-N 0 3 287.363 2.297 20 10 CECDHN COc1ccc(N2CC[C@@H](NCc3cnc(C)nc3)C2)cc1 ZINC000850346133 642675749 /nfs/dbraw/zinc/67/57/49/642675749.db2.gz QIQXCRCILXQFFS-OAHLLOKOSA-N 0 3 298.390 2.162 20 10 CECDHN C[C@@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850495680 642731775 /nfs/dbraw/zinc/73/17/75/642731775.db2.gz HFRMVJJJXVXNOC-AYLIAGHASA-N 0 3 295.326 2.354 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)CC1CC1)CC2 ZINC000850546423 642748061 /nfs/dbraw/zinc/74/80/61/642748061.db2.gz ZPSCJIIKKAXUTB-TZMCWYRMSA-N 0 3 261.365 2.378 20 10 CECDHN Cc1ccc(C[N@@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000877591768 650804561 /nfs/dbraw/zinc/80/45/61/650804561.db2.gz IFTUUIFRAYRQII-CQSZACIVSA-N 0 3 276.380 2.190 20 10 CECDHN Cc1ccc(C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000877591768 650804563 /nfs/dbraw/zinc/80/45/63/650804563.db2.gz IFTUUIFRAYRQII-CQSZACIVSA-N 0 3 276.380 2.190 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H](O)C(F)(F)F ZINC000877693760 650854735 /nfs/dbraw/zinc/85/47/35/650854735.db2.gz QCMZRABCHJXNDP-MFKMUULPSA-N 0 3 290.329 2.462 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000854224668 644016118 /nfs/dbraw/zinc/01/61/18/644016118.db2.gz YGFONYLAEHLYDJ-NSHDSACASA-N 0 3 292.379 2.101 20 10 CECDHN COC1CCN(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756643326 644678080 /nfs/dbraw/zinc/67/80/80/644678080.db2.gz UDIITTRCSNSSDV-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN CCn1cnnc1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756734598 644687390 /nfs/dbraw/zinc/68/73/90/644687390.db2.gz YGFGZOLHQFMKHY-SNVBAGLBSA-N 0 3 278.331 2.036 20 10 CECDHN CCOc1ccc(C[N@H+](C)CCc2cnccn2)c([O-])c1 ZINC000761213036 645257017 /nfs/dbraw/zinc/25/70/17/645257017.db2.gz BLHJPYICVIRYCH-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CCc2cnccn2)c([O-])c1 ZINC000761213036 645257019 /nfs/dbraw/zinc/25/70/19/645257019.db2.gz BLHJPYICVIRYCH-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c([O-])c1 ZINC000762627887 645431298 /nfs/dbraw/zinc/43/12/98/645431298.db2.gz IVTUFTGHRYQXNF-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NCC(C)(C)C)c1 ZINC000859233955 645432111 /nfs/dbraw/zinc/43/21/11/645432111.db2.gz ZSVXSFNAEZKYKQ-LLVKDONJSA-N 0 3 294.395 2.214 20 10 CECDHN C[C@H](CO)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000766920973 645937093 /nfs/dbraw/zinc/93/70/93/645937093.db2.gz WUICVIPUOWCRAS-DZGCQCFKSA-N 0 3 279.380 2.002 20 10 CECDHN C[C@H](CO)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000766920973 645937094 /nfs/dbraw/zinc/93/70/94/645937094.db2.gz WUICVIPUOWCRAS-DZGCQCFKSA-N 0 3 279.380 2.002 20 10 CECDHN C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449530 646125396 /nfs/dbraw/zinc/12/53/96/646125396.db2.gz ZYNGKLINLGQFKY-ISTVAULSSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449530 646125400 /nfs/dbraw/zinc/12/54/00/646125400.db2.gz ZYNGKLINLGQFKY-ISTVAULSSA-N 0 3 263.337 2.048 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC)c([O-])c1 ZINC000768882772 646178415 /nfs/dbraw/zinc/17/84/15/646178415.db2.gz WPCGZPZGHLGPCP-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC)c([O-])c1 ZINC000768882772 646178418 /nfs/dbraw/zinc/17/84/18/646178418.db2.gz WPCGZPZGHLGPCP-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1ccc(OCC)cc1O ZINC000769000519 646191286 /nfs/dbraw/zinc/19/12/86/646191286.db2.gz VHQVTQMPJORYCJ-UHFFFAOYSA-N 0 3 294.395 2.091 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CC1(O)CCCC1 ZINC000769447646 646266936 /nfs/dbraw/zinc/26/69/36/646266936.db2.gz IHLCMPNKFAONLG-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CC1(O)CCCC1 ZINC000769447646 646266942 /nfs/dbraw/zinc/26/69/42/646266942.db2.gz IHLCMPNKFAONLG-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)[C@H](O)CO2 ZINC000769798604 646317839 /nfs/dbraw/zinc/31/78/39/646317839.db2.gz NMAYDBIXCAPVHS-CQSZACIVSA-N 0 3 275.348 2.194 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CC3)C1)[C@H](O)CO2 ZINC000769798604 646317843 /nfs/dbraw/zinc/31/78/43/646317843.db2.gz NMAYDBIXCAPVHS-CQSZACIVSA-N 0 3 275.348 2.194 20 10 CECDHN C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000863485240 646740650 /nfs/dbraw/zinc/74/06/50/646740650.db2.gz XKCBMUDVGKMHPT-GZMMTYOYSA-N 0 3 272.751 2.415 20 10 CECDHN CC[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775555135 646965107 /nfs/dbraw/zinc/96/51/07/646965107.db2.gz JSIPDESVBVVJEE-UKRRQHHQSA-N 0 3 298.814 2.153 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775555136 646965300 /nfs/dbraw/zinc/96/53/00/646965300.db2.gz JSIPDESVBVVJEE-ZFWWWQNUSA-N 0 3 298.814 2.153 20 10 CECDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776253291 647042773 /nfs/dbraw/zinc/04/27/73/647042773.db2.gz VBOIREYJAUJRPM-QWHCGFSZSA-N 0 3 296.798 2.358 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000777725557 647170080 /nfs/dbraw/zinc/17/00/80/647170080.db2.gz URGYJYUCXKWVKR-RWMBFGLXSA-N 0 3 297.420 2.399 20 10 CECDHN C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(F)ccc1[O-] ZINC000779067754 647284710 /nfs/dbraw/zinc/28/47/10/647284710.db2.gz ZOEQBHSIFMLRNV-JQWIXIFHSA-N 0 3 275.327 2.393 20 10 CECDHN CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000783317502 647708130 /nfs/dbraw/zinc/70/81/30/647708130.db2.gz SXLLIYFCAQYRFV-QXEWZRGKSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccnn1C ZINC000866616151 647843652 /nfs/dbraw/zinc/84/36/52/647843652.db2.gz ZJJNYFVYWWRUFT-JQWIXIFHSA-N 0 3 257.337 2.464 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCO[C@H]2C)c2c1c(F)ccc2[O-] ZINC000788623264 648208688 /nfs/dbraw/zinc/20/86/88/648208688.db2.gz KNKPCVNYBWEDPA-XPQXIITISA-N 0 3 295.354 2.209 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000872127362 649285728 /nfs/dbraw/zinc/28/57/28/649285728.db2.gz VHCGOZYDJTZSCO-DNRKLUKYSA-N 0 3 265.328 2.440 20 10 CECDHN CC1(F)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000872692014 649457673 /nfs/dbraw/zinc/45/76/73/649457673.db2.gz VAQXYZYQGDINHH-CYBMUJFWSA-N 0 3 281.327 2.142 20 10 CECDHN C[NH2+]C[C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128315694 651410026 /nfs/dbraw/zinc/41/00/26/651410026.db2.gz QYTFQCUPJHGXED-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CN(C)c1ccc(CN2CCN(CC3CC3)CC2)cc1F ZINC000130653836 652305902 /nfs/dbraw/zinc/30/59/02/652305902.db2.gz VVYBPBXAZAHQPM-UHFFFAOYSA-N 0 3 291.414 2.419 20 10 CECDHN CC[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000883395182 652454182 /nfs/dbraw/zinc/45/41/82/652454182.db2.gz ORYIRJGJBZOINL-ZFWWWQNUSA-N 0 3 288.391 2.444 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CC[C@@H](C)O)c1[O-] ZINC000133209144 652613543 /nfs/dbraw/zinc/61/35/43/652613543.db2.gz KDIHXDMQXGBCEC-SECBINFHSA-N 0 3 288.185 2.324 20 10 CECDHN COC[C@H](CC[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000694239153 803522187 /nfs/dbraw/zinc/52/21/87/803522187.db2.gz XPANRNQTVGDLIS-NEPJUHHUSA-N 0 3 253.342 2.094 20 10 CECDHN COC[C@H](CC[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000694314616 803530786 /nfs/dbraw/zinc/53/07/86/803530786.db2.gz YUGPHVOOLIYGMD-OLZOCXBDSA-N 0 3 267.369 2.403 20 10 CECDHN CN(C)c1cc(F)c(CNCCC2(O)CCC2)cc1F ZINC001118859537 815051042 /nfs/dbraw/zinc/05/10/42/815051042.db2.gz JWTIZAUUJPVCTF-UHFFFAOYSA-N 0 3 284.350 2.426 20 10 CECDHN COc1cc(Cl)cc(CN2CC(N3CCCC3)C2)c1O ZINC001233289824 807388942 /nfs/dbraw/zinc/38/89/42/807388942.db2.gz QRFDKAKYECYUKI-UHFFFAOYSA-N 0 3 296.798 2.334 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000716758435 815145965 /nfs/dbraw/zinc/14/59/65/815145965.db2.gz MJAVYJKQWFODHR-DGCLKSJQSA-N 0 3 274.364 2.054 20 10 CECDHN CC(C)N1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000131127930 808298094 /nfs/dbraw/zinc/29/80/94/808298094.db2.gz OPHNEMNIUKPTHZ-UHFFFAOYSA-N 0 3 261.413 2.279 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001203549910 808668685 /nfs/dbraw/zinc/66/86/85/808668685.db2.gz CDRQNXJSVKJTKU-CQSZACIVSA-N 0 3 253.317 2.079 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001203549910 808668687 /nfs/dbraw/zinc/66/86/87/808668687.db2.gz CDRQNXJSVKJTKU-CQSZACIVSA-N 0 3 253.317 2.079 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC001203557094 808701021 /nfs/dbraw/zinc/70/10/21/808701021.db2.gz ZDAVMESMQFLTGP-AAEUAGOBSA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC001203557094 808701024 /nfs/dbraw/zinc/70/10/24/808701024.db2.gz ZDAVMESMQFLTGP-AAEUAGOBSA-N 0 3 263.337 2.166 20 10 CECDHN CC(C)N1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700782528 809348934 /nfs/dbraw/zinc/34/89/34/809348934.db2.gz OMDQMQTVRZIUPL-LLVKDONJSA-N 0 3 284.350 2.490 20 10 CECDHN CC(C)[N@@H+]1CC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000700782528 809348941 /nfs/dbraw/zinc/34/89/41/809348941.db2.gz OMDQMQTVRZIUPL-LLVKDONJSA-N 0 3 284.350 2.490 20 10 CECDHN CC(C)[N@H+]1CC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000700782528 809348947 /nfs/dbraw/zinc/34/89/47/809348947.db2.gz OMDQMQTVRZIUPL-LLVKDONJSA-N 0 3 284.350 2.490 20 10 CECDHN CC(C)(C)OC(=O)N1C[C@@H](NCc2ccccc2O)CO1 ZINC000703372787 809646398 /nfs/dbraw/zinc/64/63/98/809646398.db2.gz KYGZQVSYEVTOMB-GFCCVEGCSA-N 0 3 294.351 2.033 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C1CCCC1 ZINC000386259053 813163001 /nfs/dbraw/zinc/16/30/01/813163001.db2.gz MHHOOVYGCRBVBK-CYBMUJFWSA-N 0 3 253.317 2.172 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2(N(C)C)CC2)c1[O-] ZINC000397797215 813638893 /nfs/dbraw/zinc/63/88/93/813638893.db2.gz GMZSJPAYNAODER-UHFFFAOYSA-N 0 3 284.787 2.238 20 10 CECDHN CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccccc1[O-] ZINC000689585801 813978074 /nfs/dbraw/zinc/97/80/74/813978074.db2.gz RWTPTEBXTHOIMF-LBPRGKRZSA-N 0 3 266.341 2.131 20 10 CECDHN CCN(CC)CC[N@H+](C)Cc1cccc(F)c1[O-] ZINC001138122707 815731672 /nfs/dbraw/zinc/73/16/72/815731672.db2.gz XCZMCQMCYGTZDN-UHFFFAOYSA-N 0 3 254.349 2.305 20 10 CECDHN CCN(CC)CC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC001138122707 815731676 /nfs/dbraw/zinc/73/16/76/815731676.db2.gz XCZMCQMCYGTZDN-UHFFFAOYSA-N 0 3 254.349 2.305 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@](C)(O)C2)c(OC)c1 ZINC001138386544 815786902 /nfs/dbraw/zinc/78/69/02/815786902.db2.gz QNJBZQUGQDCYIP-KRWDZBQOSA-N 0 3 292.423 2.498 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001138386493 815787031 /nfs/dbraw/zinc/78/70/31/815787031.db2.gz OJEDWTIADDMMFY-BBRMVZONSA-N 0 3 292.423 2.354 20 10 CECDHN Cc1ccc(C)c(CN2CCc3nn(C)cc3C2)c1O ZINC001140182253 816205405 /nfs/dbraw/zinc/20/54/05/816205405.db2.gz MMTSUNJVSUZIRS-UHFFFAOYSA-N 0 3 271.364 2.301 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032318 816453109 /nfs/dbraw/zinc/45/31/09/816453109.db2.gz XYSZINKVQTVDMG-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032318 816453111 /nfs/dbraw/zinc/45/31/11/816453111.db2.gz XYSZINKVQTVDMG-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN CN1C[C@@H]2C[C@H]1CN2Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141078099 816471342 /nfs/dbraw/zinc/47/13/42/816471342.db2.gz KTDWLCGXYJRVDB-ROUUACIJSA-N 0 3 297.446 2.274 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530649 816681048 /nfs/dbraw/zinc/68/10/48/816681048.db2.gz IYKKGBLMWJBRSG-IINYFYTJSA-N 0 3 282.334 2.196 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530649 816681052 /nfs/dbraw/zinc/68/10/52/816681052.db2.gz IYKKGBLMWJBRSG-IINYFYTJSA-N 0 3 282.334 2.196 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](OC)C(C)C)c1[O-] ZINC000072924438 343815036 /nfs/dbraw/zinc/81/50/36/343815036.db2.gz CHAWRVVRMLUNQW-ZDUSSCGKSA-N 0 3 253.342 2.161 20 10 CECDHN c1cc(CNCc2ccc(N3CCOCC3)cc2)c[nH]1 ZINC000086251617 344098472 /nfs/dbraw/zinc/09/84/72/344098472.db2.gz QTRFWBJCVKMFOC-UHFFFAOYSA-N 0 3 271.364 2.141 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000093056675 344213060 /nfs/dbraw/zinc/21/30/60/344213060.db2.gz UXEPVQNMKJEVQN-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000093056675 344213061 /nfs/dbraw/zinc/21/30/61/344213061.db2.gz UXEPVQNMKJEVQN-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000093482921 344225264 /nfs/dbraw/zinc/22/52/64/344225264.db2.gz NTZMHZATWDNPCR-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1[O-] ZINC000093482921 344225266 /nfs/dbraw/zinc/22/52/66/344225266.db2.gz NTZMHZATWDNPCR-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000134116724 366288372 /nfs/dbraw/zinc/28/83/72/366288372.db2.gz XDPDRODSVOIEAB-OAHLLOKOSA-N 0 3 260.381 2.452 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000134116724 366288373 /nfs/dbraw/zinc/28/83/73/366288373.db2.gz XDPDRODSVOIEAB-OAHLLOKOSA-N 0 3 260.381 2.452 20 10 CECDHN COc1cccc(CN2CCS[C@H]3COCC[C@@H]32)c1O ZINC000091856406 364073624 /nfs/dbraw/zinc/07/36/24/364073624.db2.gz QCXHNQYGNVSMGD-JSGCOSHPSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091856406 364073630 /nfs/dbraw/zinc/07/36/30/364073630.db2.gz QCXHNQYGNVSMGD-JSGCOSHPSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000091856406 364073636 /nfs/dbraw/zinc/07/36/36/364073636.db2.gz QCXHNQYGNVSMGD-JSGCOSHPSA-N 0 3 295.404 2.107 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245587339 370844471 /nfs/dbraw/zinc/84/44/71/370844471.db2.gz FBLQHAPGKGNXGL-TZMCWYRMSA-N 0 3 265.378 2.099 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000245587339 370844472 /nfs/dbraw/zinc/84/44/72/370844472.db2.gz FBLQHAPGKGNXGL-TZMCWYRMSA-N 0 3 265.378 2.099 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168599521 367355419 /nfs/dbraw/zinc/35/54/19/367355419.db2.gz NYTHQVRSKGVLDB-WDEREUQCSA-N 0 3 252.358 2.002 20 10 CECDHN COCCOC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180140148 368368159 /nfs/dbraw/zinc/36/81/59/368368159.db2.gz USEWZRLQHOZBIK-UHFFFAOYSA-N 0 3 283.343 2.159 20 10 CECDHN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180170894 368369254 /nfs/dbraw/zinc/36/92/54/368369254.db2.gz MZHHCRRAQOXSQF-ZWNOBZJWSA-N 0 3 253.317 2.267 20 10 CECDHN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180170894 368369255 /nfs/dbraw/zinc/36/92/55/368369255.db2.gz MZHHCRRAQOXSQF-ZWNOBZJWSA-N 0 3 253.317 2.267 20 10 CECDHN CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179907022 368357325 /nfs/dbraw/zinc/35/73/25/368357325.db2.gz DLDNUYFJAZQYTN-UHFFFAOYSA-N 0 3 294.370 2.270 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1OC ZINC000180618234 368389698 /nfs/dbraw/zinc/38/96/98/368389698.db2.gz KCAGWZYSMZFMBA-HNNXBMFYSA-N 0 3 297.395 2.248 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1OC ZINC000180618234 368389703 /nfs/dbraw/zinc/38/97/03/368389703.db2.gz KCAGWZYSMZFMBA-HNNXBMFYSA-N 0 3 297.395 2.248 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccccc1[O-] ZINC000183338856 368623306 /nfs/dbraw/zinc/62/33/06/368623306.db2.gz IXMMHCNEGPJQQW-ZIAGYGMSSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@@H]([NH2+]CCSCCCO)c1cc(F)ccc1[O-] ZINC000185379248 368799772 /nfs/dbraw/zinc/79/97/72/368799772.db2.gz ZXDSVTDXSITUIY-SNVBAGLBSA-N 0 3 273.373 2.298 20 10 CECDHN CO[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C ZINC000188320119 369338411 /nfs/dbraw/zinc/33/84/11/369338411.db2.gz KYODCBWVECGWON-YGRLFVJLSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1C ZINC000188320119 369338418 /nfs/dbraw/zinc/33/84/18/369338418.db2.gz KYODCBWVECGWON-YGRLFVJLSA-N 0 3 253.317 2.388 20 10 CECDHN CCN(Cc1cc(C)ccc1O)C[C@@H](O)C(F)(F)F ZINC000189880888 369575306 /nfs/dbraw/zinc/57/53/06/369575306.db2.gz NFBDIZHDAOYGSU-GFCCVEGCSA-N 0 3 277.286 2.446 20 10 CECDHN C[C@@H]([NH2+]CC1(C)OCCCO1)c1ccccc1[O-] ZINC000190668307 369643208 /nfs/dbraw/zinc/64/32/08/369643208.db2.gz DRKWZBAHRUZKIP-LLVKDONJSA-N 0 3 251.326 2.196 20 10 CECDHN CCC(CC)[C@H](O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224831787 370282954 /nfs/dbraw/zinc/28/29/54/370282954.db2.gz HMJHOKVHYWZLEJ-OAHLLOKOSA-N 0 3 267.369 2.288 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C)c1[O-] ZINC000227372892 370369695 /nfs/dbraw/zinc/36/96/95/370369695.db2.gz XWCGXFOJAOPPEM-GFCCVEGCSA-N 0 3 267.369 2.288 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226584041 370347051 /nfs/dbraw/zinc/34/70/51/370347051.db2.gz HWBKQJZUOJQQNR-UHFFFAOYSA-N 0 3 296.342 2.242 20 10 CECDHN Cc1ccc(O)c([C@H](C)NC[C@@H](O)C(F)(F)F)c1 ZINC000230659190 370461706 /nfs/dbraw/zinc/46/17/06/370461706.db2.gz QRJSPHPXBIVDQR-GZMMTYOYSA-N 0 3 263.259 2.274 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1[O-] ZINC000359990932 371496705 /nfs/dbraw/zinc/49/67/05/371496705.db2.gz CSRKREDUKSDROC-CZXHOFHRSA-N 0 3 274.364 2.052 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000270749249 372933033 /nfs/dbraw/zinc/93/30/33/372933033.db2.gz XULNUHNTRYWCSQ-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000271461763 373192504 /nfs/dbraw/zinc/19/25/04/373192504.db2.gz XEHLABOXSYVVPS-HZPDHXFCSA-N 0 3 291.391 2.144 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273544110 373761982 /nfs/dbraw/zinc/76/19/82/373761982.db2.gz ZANZIHCMVYALFP-LBPRGKRZSA-N 0 3 278.396 2.432 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273581532 373763905 /nfs/dbraw/zinc/76/39/05/373763905.db2.gz MTLGGLRZRUQPDU-CJNGLKHVSA-N 0 3 281.396 2.447 20 10 CECDHN CCN(CC)c1ccc(CN(CC)[C@@H]2CCNC2=O)cc1 ZINC000281782475 375395392 /nfs/dbraw/zinc/39/53/92/375395392.db2.gz NFQSJOQUEFSOBC-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN Cc1cc(Br)cc(C[N@H+](C)CCCO)c1[O-] ZINC000281808537 375395521 /nfs/dbraw/zinc/39/55/21/375395521.db2.gz PYFVQDWGFCJETH-UHFFFAOYSA-N 0 3 288.185 2.277 20 10 CECDHN Cc1cc(Br)cc(C[N@@H+](C)CCCO)c1[O-] ZINC000281808537 375395524 /nfs/dbraw/zinc/39/55/24/375395524.db2.gz PYFVQDWGFCJETH-UHFFFAOYSA-N 0 3 288.185 2.277 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)N2CCCC2)c1[O-] ZINC000281192408 375362382 /nfs/dbraw/zinc/36/23/82/375362382.db2.gz IMSXFUHVWXIDMW-NSHDSACASA-N 0 3 296.798 2.455 20 10 CECDHN Cc1ccc(O)c(CN[C@]2(CO)CCOc3ccccc32)c1 ZINC000282212435 375430170 /nfs/dbraw/zinc/43/01/70/375430170.db2.gz DKSDBHDODHECIM-SFHVURJKSA-N 0 3 299.370 2.461 20 10 CECDHN OC[C@]1(NCc2ccccc2O)CCOc2ccccc21 ZINC000282285868 375448236 /nfs/dbraw/zinc/44/82/36/375448236.db2.gz IOMXYHMPOLNWMK-QGZVFWFLSA-N 0 3 285.343 2.152 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284206271 375825759 /nfs/dbraw/zinc/82/57/59/375825759.db2.gz SLLXVSRWVLYHJM-LSDHHAIUSA-N 0 3 292.423 2.380 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000285447661 375838586 /nfs/dbraw/zinc/83/85/86/375838586.db2.gz ZHXVNIJRWSBLMV-XEZPLFJOSA-N 0 3 279.380 2.200 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(OC)C2CC2)c1 ZINC000291033074 377040969 /nfs/dbraw/zinc/04/09/69/377040969.db2.gz JGWAULHMEMOROQ-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H](C)CCCCO)cc1OC ZINC000294953451 378030885 /nfs/dbraw/zinc/03/08/85/378030885.db2.gz DERIQYMGWFMHOR-NSHDSACASA-N 0 3 283.368 2.050 20 10 CECDHN C[C@@H](NC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295186484 378047898 /nfs/dbraw/zinc/04/78/98/378047898.db2.gz NLPOFOUWRXRDLL-LLVKDONJSA-N 0 3 288.391 2.028 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296307945 378486069 /nfs/dbraw/zinc/48/60/69/378486069.db2.gz DXIZCHZQJLHJFG-QWHCGFSZSA-N 0 3 290.363 2.200 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530178021 380196252 /nfs/dbraw/zinc/19/62/52/380196252.db2.gz NJRGPTGUVYPDRV-CYBMUJFWSA-N 0 3 266.772 2.420 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@H]2C(C)C)c1[O-] ZINC000530229815 380198293 /nfs/dbraw/zinc/19/82/93/380198293.db2.gz MNHMRSBBNFOHGS-HNNXBMFYSA-N 0 3 294.370 2.164 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCCCC1)CC2 ZINC000296113956 224618145 /nfs/dbraw/zinc/61/81/45/224618145.db2.gz UZKDFYPBIZBMAP-CQSZACIVSA-N 0 3 260.381 2.455 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccccc1[O-] ZINC000229574323 394477877 /nfs/dbraw/zinc/47/78/77/394477877.db2.gz LNBYNHKAYCFFPL-DGCLKSJQSA-N 0 3 253.342 2.094 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@H](CO)C2)cc1F ZINC000092763696 394662290 /nfs/dbraw/zinc/66/22/90/394662290.db2.gz MBKHIGRXPYCJTA-AWEZNQCLSA-N 0 3 280.387 2.486 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093644616 394668300 /nfs/dbraw/zinc/66/83/00/394668300.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093644616 394668302 /nfs/dbraw/zinc/66/83/02/394668302.db2.gz OMZBXQHDPSCQRE-JSGCOSHPSA-N 0 3 278.396 2.315 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)CSC)c([O-])c1 ZINC000120679671 394781340 /nfs/dbraw/zinc/78/13/40/394781340.db2.gz FZKVCWCISSDJAE-HNNXBMFYSA-N 0 3 299.436 2.385 20 10 CECDHN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000360256076 394795153 /nfs/dbraw/zinc/79/51/53/394795153.db2.gz XQFCODLPKNOLLU-CQSZACIVSA-N 0 3 269.348 2.138 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000360675827 394805784 /nfs/dbraw/zinc/80/57/84/394805784.db2.gz XZLIZXLUKFBKIS-GDLCADMTSA-N 0 3 292.354 2.150 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000360675827 394805785 /nfs/dbraw/zinc/80/57/85/394805785.db2.gz XZLIZXLUKFBKIS-GDLCADMTSA-N 0 3 292.354 2.150 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000122782467 394816829 /nfs/dbraw/zinc/81/68/29/394816829.db2.gz WNANISVVBKVHRC-AWEZNQCLSA-N 0 3 291.439 2.489 20 10 CECDHN CN(Cc1ccccc1O)C[C@@](C)(O)C(F)(F)F ZINC000281888819 394869301 /nfs/dbraw/zinc/86/93/01/394869301.db2.gz DQZMVSFDZDYUDU-LLVKDONJSA-N 0 3 263.259 2.137 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@]23CCOC3)cc1OC ZINC000367047718 394956519 /nfs/dbraw/zinc/95/65/19/394956519.db2.gz LZOALVBLDIWWGJ-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN2CCCC[C@@H]2CO1)c1ccccc1[O-] ZINC000372933077 395050164 /nfs/dbraw/zinc/05/01/64/395050164.db2.gz YILLLNAQPXPUKV-ZNMIVQPWSA-N 0 3 290.407 2.296 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000376200508 395112308 /nfs/dbraw/zinc/11/23/08/395112308.db2.gz XFGMDTSOQWXVAO-ZDUSSCGKSA-N 0 3 287.363 2.161 20 10 CECDHN CCCNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179573240 395197040 /nfs/dbraw/zinc/19/70/40/395197040.db2.gz MMSYVSNIKQKYJA-UHFFFAOYSA-N 0 3 276.380 2.130 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1OC ZINC000293828737 395252313 /nfs/dbraw/zinc/25/23/13/395252313.db2.gz AMQGYGXFXQGBIQ-BDJLRTHQSA-N 0 3 295.379 2.050 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000188468455 395316352 /nfs/dbraw/zinc/31/63/52/395316352.db2.gz QZSUNYCROYJZSP-RYUDHWBXSA-N 0 3 264.369 2.218 20 10 CECDHN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183549417 395259258 /nfs/dbraw/zinc/25/92/58/395259258.db2.gz BVFLYUICUUKWGM-FRRDWIJNSA-N 0 3 265.353 2.237 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183666457 395261094 /nfs/dbraw/zinc/26/10/94/395261094.db2.gz NQAIDTAUVPOKOJ-NSHDSACASA-N 0 3 264.369 2.205 20 10 CECDHN COCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000297453367 292248194 /nfs/dbraw/zinc/24/81/94/292248194.db2.gz XGGIRYLYINILBW-CQSZACIVSA-N 0 3 291.391 2.412 20 10 CECDHN CC[C@@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1[O-] ZINC000020125318 171008349 /nfs/dbraw/zinc/00/83/49/171008349.db2.gz SYSHTRFRKCDWCK-CYBMUJFWSA-N 0 3 264.369 2.205 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000035628802 172307857 /nfs/dbraw/zinc/30/78/57/172307857.db2.gz SDSCJOSJQOPRQU-LBPRGKRZSA-N 0 3 264.369 2.123 20 10 CECDHN O[C@H](CNCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037363042 173151860 /nfs/dbraw/zinc/15/18/60/173151860.db2.gz FGVSLTXDUFHIMT-MRXNPFEDSA-N 0 3 269.344 2.445 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987191 260272574 /nfs/dbraw/zinc/27/25/74/260272574.db2.gz CHZRGOFQBHMZIV-NSHDSACASA-N 0 3 292.379 2.110 20 10 CECDHN CCOc1cccc(CN(C)[C@H]2CCOC2)c1O ZINC000156098897 261113962 /nfs/dbraw/zinc/11/39/62/261113962.db2.gz NEKPYIGRTVEYHA-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NC(C)C)cc1 ZINC000160925714 261230858 /nfs/dbraw/zinc/23/08/58/261230858.db2.gz VYCFPYCSIHCVQG-CYBMUJFWSA-N 0 3 277.412 2.318 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000184744368 262027759 /nfs/dbraw/zinc/02/77/59/262027759.db2.gz CKMBZUWKEFSKKA-UWVGGRQHSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000184744368 262027761 /nfs/dbraw/zinc/02/77/61/262027761.db2.gz CKMBZUWKEFSKKA-UWVGGRQHSA-N 0 3 285.771 2.257 20 10 CECDHN COCCN1CCC([NH2+][C@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185144774 262043988 /nfs/dbraw/zinc/04/39/88/262043988.db2.gz GLXROUHJKQIRHZ-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)CCO)c1 ZINC000185608849 262306328 /nfs/dbraw/zinc/30/63/28/262306328.db2.gz TYKAXCDEUOXKQL-LLVKDONJSA-N 0 3 267.369 2.460 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699285 267111353 /nfs/dbraw/zinc/11/13/53/267111353.db2.gz HMFADFIMMOOZPG-WCQYABFASA-N 0 3 262.353 2.041 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699285 267111354 /nfs/dbraw/zinc/11/13/54/267111354.db2.gz HMFADFIMMOOZPG-WCQYABFASA-N 0 3 262.353 2.041 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037162 267138915 /nfs/dbraw/zinc/13/89/15/267138915.db2.gz MEAYQNXHPALZMD-ZBEGNZNMSA-N 0 3 277.364 2.309 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037162 267138918 /nfs/dbraw/zinc/13/89/18/267138918.db2.gz MEAYQNXHPALZMD-ZBEGNZNMSA-N 0 3 277.364 2.309 20 10 CECDHN CN(C)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000297629085 276771643 /nfs/dbraw/zinc/77/16/43/276771643.db2.gz JGVOVKYOLPYOHN-AWEZNQCLSA-N 0 3 290.407 2.080 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000236848433 328003259 /nfs/dbraw/zinc/00/32/59/328003259.db2.gz WRWJWBWQPQYPGD-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN CC[C@H]([NH2+]CCc1nc(C)n[nH]1)c1ccccc1[O-] ZINC000274764015 328009509 /nfs/dbraw/zinc/00/95/09/328009509.db2.gz KSIRREFDLZFFON-LBPRGKRZSA-N 0 3 260.341 2.102 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000219906394 326839353 /nfs/dbraw/zinc/83/93/53/326839353.db2.gz BZXDEKKCUYKNKM-AAEUAGOBSA-N 0 3 265.353 2.448 20 10 CECDHN COC(=O)c1ccc(CNCc2ccc(N(C)C)cc2)[nH]1 ZINC000093084255 327104466 /nfs/dbraw/zinc/10/44/66/327104466.db2.gz MREHZQXQPVJTCM-UHFFFAOYSA-N 0 3 287.363 2.157 20 10 CECDHN CCC[C@]1(CO)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377835233 329031031 /nfs/dbraw/zinc/03/10/31/329031031.db2.gz RYHFYDRRRZUHJP-INIZCTEOSA-N 0 3 293.363 2.105 20 10 CECDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377835233 329031033 /nfs/dbraw/zinc/03/10/33/329031033.db2.gz RYHFYDRRRZUHJP-INIZCTEOSA-N 0 3 293.363 2.105 20 10 CECDHN CCN(CC)c1ccc(CN2CCNC(=O)C[C@@H]2C)cc1 ZINC000377889486 329033626 /nfs/dbraw/zinc/03/36/26/329033626.db2.gz OVKJCSPMJCQQBG-AWEZNQCLSA-N 0 3 289.423 2.243 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@@H](CO)C2)cc1F ZINC000378344951 329046890 /nfs/dbraw/zinc/04/68/90/329046890.db2.gz FLLOISJAYBJVLW-CQSZACIVSA-N 0 3 280.387 2.486 20 10 CECDHN Cc1cccc(C[NH+]2CCC3(CCOC3=O)CC2)c1[O-] ZINC000378446078 329050633 /nfs/dbraw/zinc/05/06/33/329050633.db2.gz XVUZKYVTWXGYRY-UHFFFAOYSA-N 0 3 275.348 2.230 20 10 CECDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000378493531 329052964 /nfs/dbraw/zinc/05/29/64/329052964.db2.gz IKTORLKYUDAGKQ-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000378493531 329052965 /nfs/dbraw/zinc/05/29/65/329052965.db2.gz IKTORLKYUDAGKQ-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN C[C@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1[O-] ZINC000183419433 329247638 /nfs/dbraw/zinc/24/76/38/329247638.db2.gz MTRRNFAJRYXCJB-LBPRGKRZSA-N 0 3 295.346 2.219 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-] ZINC000249778801 329910174 /nfs/dbraw/zinc/91/01/74/329910174.db2.gz KXVLDTDJDGXJJF-OUCADQQQSA-N 0 3 263.337 2.058 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](CCO)COC)cc1 ZINC000219132080 333142718 /nfs/dbraw/zinc/14/27/18/333142718.db2.gz KNVPDXBVQAWVBC-OAHLLOKOSA-N 0 3 280.412 2.020 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000252806387 334393943 /nfs/dbraw/zinc/39/39/43/334393943.db2.gz HBFOFZVAXVUPNA-WOPDTQHZSA-N 0 3 265.353 2.476 20 10 CECDHN CC(C)C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236709693 519366790 /nfs/dbraw/zinc/36/67/90/519366790.db2.gz LCCYRVREMNZSCY-HNNXBMFYSA-N 0 3 289.423 2.059 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000279640615 519553016 /nfs/dbraw/zinc/55/30/16/519553016.db2.gz CWNNZDHJACXLCH-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CCCCOCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000040506683 520784007 /nfs/dbraw/zinc/78/40/07/520784007.db2.gz NJGZCKBCHZIFAV-UHFFFAOYSA-N 0 3 253.342 2.307 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](COC)[C@H]2CCCO2)c1 ZINC000278778409 521155345 /nfs/dbraw/zinc/15/53/45/521155345.db2.gz YVZORQQMIOGKKA-GOEBONIOSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](COC)[C@H]2CCCO2)c1 ZINC000278778409 521155346 /nfs/dbraw/zinc/15/53/46/521155346.db2.gz YVZORQQMIOGKKA-GOEBONIOSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CC)C(C)(C)O)c1[O-] ZINC000293011471 521375612 /nfs/dbraw/zinc/37/56/12/521375612.db2.gz NZOXHMFNZWWOGV-CYBMUJFWSA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000279661599 521376471 /nfs/dbraw/zinc/37/64/71/521376471.db2.gz GLJMXELWFSXUOU-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN CCNC(=O)C1(C[NH2+]Cc2cc(C)ccc2[O-])CCC1 ZINC000277163694 521733483 /nfs/dbraw/zinc/73/34/83/521733483.db2.gz HACHDGODTMDESR-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN CN(C)c1ccc(CN2CCc3cc[nH]c(=O)c3C2)cc1 ZINC000277093232 522184541 /nfs/dbraw/zinc/18/45/41/522184541.db2.gz UNCVECAAHNIOJR-UHFFFAOYSA-N 0 3 283.375 2.412 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H](n3cccn3)C2)cc1 ZINC000291363669 522184852 /nfs/dbraw/zinc/18/48/52/522184852.db2.gz YQDUNYWWJAPLCT-INIZCTEOSA-N 0 3 270.380 2.396 20 10 CECDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1 ZINC000266162941 522208213 /nfs/dbraw/zinc/20/82/13/522208213.db2.gz OHGROBSDCFOARB-MRXNPFEDSA-N 0 3 274.364 2.343 20 10 CECDHN COc1cc(CNCc2cc(C)ccc2O)ccn1 ZINC000071409359 522465362 /nfs/dbraw/zinc/46/53/62/522465362.db2.gz HJTWCHWZNWNYGT-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COC(=O)C1(C[NH2+][C@@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000289929869 522831095 /nfs/dbraw/zinc/83/10/95/522831095.db2.gz YXTBWFNLVFFURH-JTQLQIEISA-N 0 3 279.336 2.005 20 10 CECDHN C[N@H+](CCN1CCOC(C)(C)C1)Cc1cc(F)ccc1[O-] ZINC000279355696 522834836 /nfs/dbraw/zinc/83/48/36/522834836.db2.gz GPOUYLPSJGBDMH-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN C[N@@H+](CCN1CCOC(C)(C)C1)Cc1cc(F)ccc1[O-] ZINC000279355696 522834843 /nfs/dbraw/zinc/83/48/43/522834843.db2.gz GPOUYLPSJGBDMH-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN COCCOCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000290241137 524000254 /nfs/dbraw/zinc/00/02/54/524000254.db2.gz URZBPZZJHXHWTO-UHFFFAOYSA-N 0 3 287.787 2.449 20 10 CECDHN COCCOCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000290241137 524000256 /nfs/dbraw/zinc/00/02/56/524000256.db2.gz URZBPZZJHXHWTO-UHFFFAOYSA-N 0 3 287.787 2.449 20 10 CECDHN CNC(=O)C1C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000297525871 524052339 /nfs/dbraw/zinc/05/23/39/524052339.db2.gz YQVHEWPBIDQQAU-UHFFFAOYSA-N 0 3 296.370 2.237 20 10 CECDHN Cc1cccc(CN2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280482279 524405772 /nfs/dbraw/zinc/40/57/72/524405772.db2.gz ODGXSGJWSYTYRF-CQSZACIVSA-N 0 3 291.391 2.471 20 10 CECDHN C[C@H]1CN(CCC[NH2+]Cc2cc(F)ccc2[O-])CCCO1 ZINC000277646514 524592493 /nfs/dbraw/zinc/59/24/93/524592493.db2.gz YUSNJEXUKGOGHP-ZDUSSCGKSA-N 0 3 296.386 2.122 20 10 CECDHN COc1ccc(O)c(CN[C@@H](CO)c2ccccc2)c1 ZINC000062999661 524753016 /nfs/dbraw/zinc/75/30/16/524753016.db2.gz UNVHTYNLWOTNTQ-HNNXBMFYSA-N 0 3 273.332 2.224 20 10 CECDHN COc1ncccc1CC[NH2+]Cc1ccccc1[O-] ZINC000289922121 525046296 /nfs/dbraw/zinc/04/62/96/525046296.db2.gz VLYQYLAKFMOIDC-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN C[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282684 525551470 /nfs/dbraw/zinc/55/14/70/525551470.db2.gz VPZRJARNOYWIMO-SWLSCSKDSA-N 0 3 275.396 2.072 20 10 CECDHN C[C@@H](N[C@@H](C)CN1CCCC1=O)c1ccc(N(C)C)cc1 ZINC000037782525 525599639 /nfs/dbraw/zinc/59/96/39/525599639.db2.gz ZMYGQYWRJQJOJR-UONOGXRCSA-N 0 3 289.423 2.414 20 10 CECDHN COc1cccc(CN2CC[C@@H](n3cccn3)C2)c1O ZINC000291202025 525952693 /nfs/dbraw/zinc/95/26/93/525952693.db2.gz HRTDIIVGKRZHRI-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291202025 525952696 /nfs/dbraw/zinc/95/26/96/525952696.db2.gz HRTDIIVGKRZHRI-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291202025 525952698 /nfs/dbraw/zinc/95/26/98/525952698.db2.gz HRTDIIVGKRZHRI-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc(CN[C@H](CO)c2ccccc2)c1O ZINC000062999392 526037239 /nfs/dbraw/zinc/03/72/39/526037239.db2.gz GIIUBTLZDKDYHE-CQSZACIVSA-N 0 3 273.332 2.224 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000020146615 526371035 /nfs/dbraw/zinc/37/10/35/526371035.db2.gz CASDELMNIAESFV-CQSZACIVSA-N 0 3 265.353 2.068 20 10 CECDHN C[N@H+](CCC(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000732202917 574614759 /nfs/dbraw/zinc/61/47/59/574614759.db2.gz JDYPJJXOTVXWSW-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN C[N@@H+](CCC(=O)N1CCCCC1)Cc1ccccc1[O-] ZINC000732202917 574614760 /nfs/dbraw/zinc/61/47/60/574614760.db2.gz JDYPJJXOTVXWSW-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000733365953 574666407 /nfs/dbraw/zinc/66/64/07/574666407.db2.gz VMTODOOJRYJBHP-NSHDSACASA-N 0 3 282.409 2.448 20 10 CECDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000733365953 574666408 /nfs/dbraw/zinc/66/64/08/574666408.db2.gz VMTODOOJRYJBHP-NSHDSACASA-N 0 3 282.409 2.448 20 10 CECDHN CCOc1ccc(C[NH2+]CCOC2CCC2)c([O-])c1 ZINC000742387950 575019093 /nfs/dbraw/zinc/01/90/93/575019093.db2.gz YKIVDHAXRGWUJX-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCN2CC[C@H](C)C2)cc1C ZINC000744450604 575121609 /nfs/dbraw/zinc/12/16/09/575121609.db2.gz XMKGWTOXZUWCQU-LBPRGKRZSA-N 0 3 262.397 2.440 20 10 CECDHN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000745855147 575144886 /nfs/dbraw/zinc/14/48/86/575144886.db2.gz RYUCAHZLEAAWJD-JSGCOSHPSA-N 0 3 291.395 2.016 20 10 CECDHN C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000749544855 575224917 /nfs/dbraw/zinc/22/49/17/575224917.db2.gz QBUGMXGGHXGXOT-ZJUUUORDSA-N 0 3 268.382 2.056 20 10 CECDHN COc1ccc(C[N@H+](C)CC2CC2)c([O-])c1OC ZINC000891736085 623933586 /nfs/dbraw/zinc/93/35/86/623933586.db2.gz FJMKQUVPWFGNBU-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN COc1ccc(C[N@@H+](C)CC2CC2)c([O-])c1OC ZINC000891736085 623933589 /nfs/dbraw/zinc/93/35/89/623933589.db2.gz FJMKQUVPWFGNBU-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000045072329 624484690 /nfs/dbraw/zinc/48/46/90/624484690.db2.gz VNSMIVMQDKBLQZ-LBPRGKRZSA-N 0 3 264.369 2.268 20 10 CECDHN C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1[O-] ZINC000902449412 634672540 /nfs/dbraw/zinc/67/25/40/634672540.db2.gz OCKSYPBVVWOCHX-RNCFNFMXSA-N 0 3 252.333 2.180 20 10 CECDHN COc1ccc(CNCc2cc(C)ccc2O)nc1 ZINC000895581688 630264787 /nfs/dbraw/zinc/26/47/87/630264787.db2.gz PZPAEYLCXWOCHU-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(F)ccc3[O-])O2)CO1 ZINC000895820275 630362193 /nfs/dbraw/zinc/36/21/93/630362193.db2.gz NEAQFVLZAMEJAV-DJSGYFEHSA-N 0 3 295.354 2.348 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCN1C ZINC000896637386 630620699 /nfs/dbraw/zinc/62/06/99/630620699.db2.gz JPWRPQLMFIETTO-MNOVXSKESA-N 0 3 252.333 2.104 20 10 CECDHN Cc1ccc(NCC[NH2+]Cc2cc(F)ccc2[O-])nc1 ZINC000897182304 630979286 /nfs/dbraw/zinc/97/92/86/630979286.db2.gz ZGOHGBZWMIMZFZ-UHFFFAOYSA-N 0 3 275.327 2.436 20 10 CECDHN CSCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000799159169 630988119 /nfs/dbraw/zinc/98/81/19/630988119.db2.gz DQPNDBXDJVSIST-ZDUSSCGKSA-N 0 3 283.393 2.003 20 10 CECDHN CSCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000799159169 630988122 /nfs/dbraw/zinc/98/81/22/630988122.db2.gz DQPNDBXDJVSIST-ZDUSSCGKSA-N 0 3 283.393 2.003 20 10 CECDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840091773 631834964 /nfs/dbraw/zinc/83/49/64/631834964.db2.gz OIGRJSATHFIKLV-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840091773 631834970 /nfs/dbraw/zinc/83/49/70/631834970.db2.gz OIGRJSATHFIKLV-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885896 631960847 /nfs/dbraw/zinc/96/08/47/631960847.db2.gz RWWXZZLKIXHUPL-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2CC(CCO)C2)c1[O-] ZINC000898011659 632001052 /nfs/dbraw/zinc/00/10/52/632001052.db2.gz SFVHECCLQIVWFH-UHFFFAOYSA-N 0 3 285.771 2.305 20 10 CECDHN CCN[C@H](C)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841065284 632412192 /nfs/dbraw/zinc/41/21/92/632412192.db2.gz IDWBKFZIDRLHRA-MRVPVSSYSA-N 0 3 287.747 2.041 20 10 CECDHN CN(C)c1ccc([C@@H](CNCc2cocn2)N(C)C)cc1 ZINC000898450229 632499073 /nfs/dbraw/zinc/49/90/73/632499073.db2.gz PCAAEUCBCBTVBG-MRXNPFEDSA-N 0 3 288.395 2.133 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)c([O-])c1 ZINC000812779597 632577259 /nfs/dbraw/zinc/57/72/59/632577259.db2.gz SNMREJUJOXTALV-AWEZNQCLSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)c([O-])c1 ZINC000812779597 632577260 /nfs/dbraw/zinc/57/72/60/632577260.db2.gz SNMREJUJOXTALV-AWEZNQCLSA-N 0 3 265.353 2.136 20 10 CECDHN CC[C@@H]1CN(C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000816660607 633458919 /nfs/dbraw/zinc/45/89/19/633458919.db2.gz JZDYUPXEFFNYJU-CQSZACIVSA-N 0 3 279.403 2.418 20 10 CECDHN CCCN1C[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000817590161 633703436 /nfs/dbraw/zinc/70/34/36/633703436.db2.gz UYYSORBSIZSHAG-STQMWFEESA-N 0 3 276.380 2.301 20 10 CECDHN CC[NH2+]CCCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817943153 633791295 /nfs/dbraw/zinc/79/12/95/633791295.db2.gz JMVGCOUUBXKWHZ-SECBINFHSA-N 0 3 258.312 2.321 20 10 CECDHN C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000817948928 633795170 /nfs/dbraw/zinc/79/51/70/633795170.db2.gz FLVNHHVVQQNSLP-KOLCDFICSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1cc(F)cc(F)c1[O-] ZINC000817948928 633795172 /nfs/dbraw/zinc/79/51/72/633795172.db2.gz FLVNHHVVQQNSLP-KOLCDFICSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H](N[C@@H](C)C[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817970388 633807747 /nfs/dbraw/zinc/80/77/47/633807747.db2.gz UKCZTBLQOQDLFS-NKWVEPMBSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968861 633812001 /nfs/dbraw/zinc/81/20/01/633812001.db2.gz NWGKYYKKBWPDOQ-MWODSPESSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968861 633812007 /nfs/dbraw/zinc/81/20/07/633812007.db2.gz NWGKYYKKBWPDOQ-MWODSPESSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@@H]([NH2+]CCCNC1CC1)c1ccc(F)cc1[O-] ZINC000817984712 633828759 /nfs/dbraw/zinc/82/87/59/633828759.db2.gz XQOWHCZFXPNMJZ-SNVBAGLBSA-N 0 3 252.333 2.324 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000824543188 635447592 /nfs/dbraw/zinc/44/75/92/635447592.db2.gz FZMFEMIESTYHHX-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1ccc(C[NH2+]CCC2(CO)CC2)c([O-])c1 ZINC000825040664 635546057 /nfs/dbraw/zinc/54/60/57/635546057.db2.gz ROSOWMQZJNOECL-UHFFFAOYSA-N 0 3 265.353 2.043 20 10 CECDHN COc1ccc(CNCc2ccnn2CC2CC2)c(O)c1 ZINC000825753912 635708562 /nfs/dbraw/zinc/70/85/62/635708562.db2.gz WQNIDILURAGLMY-UHFFFAOYSA-N 0 3 287.363 2.297 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccnn2CC2CC2)c([O-])c1 ZINC000825753912 635708566 /nfs/dbraw/zinc/70/85/66/635708566.db2.gz WQNIDILURAGLMY-UHFFFAOYSA-N 0 3 287.363 2.297 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)C1O ZINC000827152369 636239100 /nfs/dbraw/zinc/23/91/00/636239100.db2.gz SRARPGWYUVENPS-RYUDHWBXSA-N 0 3 280.387 2.340 20 10 CECDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000828595020 636637190 /nfs/dbraw/zinc/63/71/90/636637190.db2.gz FRGAFUWCNLUVGI-CMPLNLGQSA-N 0 3 282.409 2.256 20 10 CECDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000828595020 636637198 /nfs/dbraw/zinc/63/71/98/636637198.db2.gz FRGAFUWCNLUVGI-CMPLNLGQSA-N 0 3 282.409 2.256 20 10 CECDHN COCCC[N@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC000876627082 650366913 /nfs/dbraw/zinc/36/69/13/650366913.db2.gz NRJPTNMKGPJQAF-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC000876627082 650366916 /nfs/dbraw/zinc/36/69/16/650366916.db2.gz NRJPTNMKGPJQAF-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COC1([C@@H](C)[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000834555006 637864810 /nfs/dbraw/zinc/86/48/10/637864810.db2.gz JPEAGTYGXRGKFL-GFCCVEGCSA-N 0 3 265.353 2.066 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)c1cccnc1)CC2 ZINC000834803011 637955856 /nfs/dbraw/zinc/95/58/56/637955856.db2.gz IGBHMXAPDDNEBC-CABCVRRESA-N 0 3 284.359 2.140 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CC[C@H](n3cncn3)C2)cc1 ZINC000835045870 638036317 /nfs/dbraw/zinc/03/63/17/638036317.db2.gz KZTLXNXPURCYCP-LIMHQNJXSA-N 0 3 297.406 2.304 20 10 CECDHN CCN(CC)C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607196 639556078 /nfs/dbraw/zinc/55/60/78/639556078.db2.gz KFTKWDKXDMIOIZ-LLVKDONJSA-N 0 3 254.349 2.351 20 10 CECDHN COC(=O)C1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840908295 639581085 /nfs/dbraw/zinc/58/10/85/639581085.db2.gz RNFMXLGQMCIOBD-UHFFFAOYSA-N 0 3 290.407 2.446 20 10 CECDHN CCCN(CC(=O)NC)Cc1ccc(N(C)C)cc1C ZINC000840911594 639582846 /nfs/dbraw/zinc/58/28/46/639582846.db2.gz JALZMLMKOKQVKA-UHFFFAOYSA-N 0 3 277.412 2.019 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840963885 639602846 /nfs/dbraw/zinc/60/28/46/639602846.db2.gz RIQQJUNWWFLXEN-RISCZKNCSA-N 0 3 299.798 2.231 20 10 CECDHN COC(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876972235 650512810 /nfs/dbraw/zinc/51/28/10/650512810.db2.gz XSTQKCYGLCVPHS-UHFFFAOYSA-N 0 3 278.352 2.021 20 10 CECDHN CC(=O)N[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000228356719 639632196 /nfs/dbraw/zinc/63/21/96/639632196.db2.gz QNOVSXVZGFDKBT-CQSZACIVSA-N 0 3 284.359 2.256 20 10 CECDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000228356719 639632200 /nfs/dbraw/zinc/63/22/00/639632200.db2.gz QNOVSXVZGFDKBT-CQSZACIVSA-N 0 3 284.359 2.256 20 10 CECDHN CC1(NCc2c([O-])ccc(Cl)c2F)CC[NH2+]CC1 ZINC000841065302 639640846 /nfs/dbraw/zinc/64/08/46/639640846.db2.gz NNHTVTLPWIATQH-UHFFFAOYSA-N 0 3 272.751 2.416 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@H](C)O)c1[O-] ZINC000228677813 639652747 /nfs/dbraw/zinc/65/27/47/639652747.db2.gz KFOFEGHTMZISMZ-BDAKNGLRSA-N 0 3 273.760 2.303 20 10 CECDHN COCCOCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876996813 650524987 /nfs/dbraw/zinc/52/49/87/650524987.db2.gz FBZQNFYMXHGGAW-UHFFFAOYSA-N 0 3 267.369 2.233 20 10 CECDHN Oc1cc2c(cc1CN[C@H]1COCc3ccccc31)OCO2 ZINC000841891328 639900459 /nfs/dbraw/zinc/90/04/59/639900459.db2.gz OHIXOCQUYVKNMX-AWEZNQCLSA-N 0 3 299.326 2.482 20 10 CECDHN CC(C)C[C@@H](CNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000827487986 639981321 /nfs/dbraw/zinc/98/13/21/639981321.db2.gz BGCWNXVPYXHNRB-JTQLQIEISA-N 0 3 270.398 2.160 20 10 CECDHN CC(C)C[C@@H](CNC(=O)C1=CC(=O)CS1)N(C)C ZINC000827487986 639981325 /nfs/dbraw/zinc/98/13/25/639981325.db2.gz BGCWNXVPYXHNRB-JTQLQIEISA-N 0 3 270.398 2.160 20 10 CECDHN [O-]c1ccc(Cl)cc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843056141 640258687 /nfs/dbraw/zinc/25/86/87/640258687.db2.gz UPEXXMYFZSJZII-CYBMUJFWSA-N 0 3 266.772 2.372 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@@]3(CCSC3)C2)c1 ZINC000843417360 640420830 /nfs/dbraw/zinc/42/08/30/640420830.db2.gz CRTGKXCDRWTLPY-HNNXBMFYSA-N 0 3 279.405 2.409 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCCc2ncn(C)n2)c1[O-] ZINC000843420053 640421842 /nfs/dbraw/zinc/42/18/42/640421842.db2.gz HPRRFLLQWBBTIE-UHFFFAOYSA-N 0 3 294.786 2.205 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)OC(C)(C)C ZINC000877147220 650594782 /nfs/dbraw/zinc/59/47/82/650594782.db2.gz RLRHDZKZZJLJCH-UHFFFAOYSA-N 0 3 280.368 2.315 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000877316461 650671022 /nfs/dbraw/zinc/67/10/22/650671022.db2.gz AWUGWKLYIDUOAM-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000877316461 650671026 /nfs/dbraw/zinc/67/10/26/650671026.db2.gz AWUGWKLYIDUOAM-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN C[C@@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000183525367 641760602 /nfs/dbraw/zinc/76/06/02/641760602.db2.gz YSWSEWDWNTZPGL-ZIAGYGMSSA-N 0 3 279.380 2.486 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183527111 641761802 /nfs/dbraw/zinc/76/18/02/641761802.db2.gz JJOAUJUPCYVZDI-WDEREUQCSA-N 0 3 255.383 2.157 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2(CO)CCC2)c1[O-] ZINC000184744790 641900201 /nfs/dbraw/zinc/90/02/01/641900201.db2.gz HSLYBROVDFTOKA-UHFFFAOYSA-N 0 3 285.771 2.306 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185531035 641990804 /nfs/dbraw/zinc/99/08/04/641990804.db2.gz KVNLZPVSELAXLC-MWLCHTKSSA-N 0 3 273.373 2.296 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000185791333 642029120 /nfs/dbraw/zinc/02/91/20/642029120.db2.gz ZNTZQFOTXADCFR-NEPJUHHUSA-N 0 3 285.409 2.174 20 10 CECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185791803 642029257 /nfs/dbraw/zinc/02/92/57/642029257.db2.gz AJFVKUYWZVEZAR-ZJUUUORDSA-N 0 3 289.372 2.005 20 10 CECDHN CCc1cccc(CN2CC[C@@H](C)C[C@H]2C(N)=O)c1O ZINC000848904263 642181914 /nfs/dbraw/zinc/18/19/14/642181914.db2.gz OSBXTBHFYIUPQA-RISCZKNCSA-N 0 3 276.380 2.040 20 10 CECDHN Cc1ccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487286 650745701 /nfs/dbraw/zinc/74/57/01/650745701.db2.gz SDCYYXWEIKIOIB-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN COC(=O)N1CCC([C@H](C)[NH2+]Cc2ccccc2[O-])CC1 ZINC000186354740 642374348 /nfs/dbraw/zinc/37/43/48/642374348.db2.gz RHXWIZRSYHBEQV-LBPRGKRZSA-N 0 3 292.379 2.349 20 10 CECDHN Cc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c([O-])c1 ZINC000877496844 650751596 /nfs/dbraw/zinc/75/15/96/650751596.db2.gz ZWZMOJOOTRZJSR-SFHVURJKSA-N 0 3 267.394 2.091 20 10 CECDHN COc1ccc(C[NH2+]CCC[C@@H]2CCO2)c([O-])c1 ZINC000877493049 650749732 /nfs/dbraw/zinc/74/97/32/650749732.db2.gz CHGKPWCLSXUQDC-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN Cc1ccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877495549 650750430 /nfs/dbraw/zinc/75/04/30/650750430.db2.gz YLSTWCCXUIPOEA-PBHICJAKSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1([S@](C)=O)CCC1 ZINC000877496190 650750469 /nfs/dbraw/zinc/75/04/69/650750469.db2.gz NWLPHLDCEFAIRN-SFHVURJKSA-N 0 3 267.394 2.091 20 10 CECDHN Cc1cc(CNCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000921757049 642585699 /nfs/dbraw/zinc/58/56/99/642585699.db2.gz ARFKYPWBTXVKKU-UHFFFAOYSA-N 0 3 257.337 2.333 20 10 CECDHN COc1ccc(CNCc2ccc(C)cc2O)c(OC)n1 ZINC000877543186 650778076 /nfs/dbraw/zinc/77/80/76/650778076.db2.gz ZRHVBJRMUAEOTA-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN C[C@@H](N[C@H]1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000850482172 642727657 /nfs/dbraw/zinc/72/76/57/642727657.db2.gz QFJQABQIZMKRAH-CJNGLKHVSA-N 0 3 287.407 2.216 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000877603637 650809562 /nfs/dbraw/zinc/80/95/62/650809562.db2.gz RLWMWMLIXWRSNY-CYBMUJFWSA-N 0 3 284.363 2.177 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000877603637 650809567 /nfs/dbraw/zinc/80/95/67/650809567.db2.gz RLWMWMLIXWRSNY-CYBMUJFWSA-N 0 3 284.363 2.177 20 10 CECDHN COc1cccc(CNCc2cc(N(C)C)ccn2)c1O ZINC000922477618 643087876 /nfs/dbraw/zinc/08/78/76/643087876.db2.gz BNKJLPYYCXTCTF-UHFFFAOYSA-N 0 3 287.363 2.152 20 10 CECDHN C[C@H]1COC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000922641303 643180253 /nfs/dbraw/zinc/18/02/53/643180253.db2.gz ZZWFCFBONVZIKH-ZANVPECISA-N 0 3 270.323 2.155 20 10 CECDHN CCO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CN(C)C ZINC000922757514 643248139 /nfs/dbraw/zinc/24/81/39/643248139.db2.gz TUHYXDJCWMAXAL-ZDUSSCGKSA-N 0 3 286.803 2.102 20 10 CECDHN COCCCn1nccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758206 650899876 /nfs/dbraw/zinc/89/98/76/650899876.db2.gz MYYNXHCCMYVUHJ-ZDUSSCGKSA-N 0 3 289.379 2.476 20 10 CECDHN C[C@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1[O-] ZINC000877758384 650900506 /nfs/dbraw/zinc/90/05/06/650900506.db2.gz XGBNTKNCYPZDDY-NSHDSACASA-N 0 3 257.337 2.386 20 10 CECDHN C[C@H](C1CC1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460623 644227521 /nfs/dbraw/zinc/22/75/21/644227521.db2.gz QGUSZMMEIOKXPU-CYBMUJFWSA-N 0 3 289.423 2.099 20 10 CECDHN CC(C)(O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877836099 650928670 /nfs/dbraw/zinc/92/86/70/650928670.db2.gz MSHXXRNYYASPSG-NSHDSACASA-N 0 3 253.317 2.124 20 10 CECDHN CC(C)(O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877836099 650928673 /nfs/dbraw/zinc/92/86/73/650928673.db2.gz MSHXXRNYYASPSG-NSHDSACASA-N 0 3 253.317 2.124 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756577227 644670462 /nfs/dbraw/zinc/67/04/62/644670462.db2.gz QWVCETGBTNQRQR-XDMRBOTDSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756595494 644673718 /nfs/dbraw/zinc/67/37/18/644673718.db2.gz WCEWIJUZSCBAFR-SCVCMEIPSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(C)C2=O)c2c1c(F)ccc2[O-] ZINC000756637191 644676617 /nfs/dbraw/zinc/67/66/17/644676617.db2.gz HCXGVRWFIPUXGB-ADEWGFFLSA-N 0 3 292.354 2.290 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000756738304 644687981 /nfs/dbraw/zinc/68/79/81/644687981.db2.gz NUMAFTSXYBUJDH-MLGOLLRUSA-N 0 3 279.380 2.139 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756780236 644691340 /nfs/dbraw/zinc/69/13/40/644691340.db2.gz XSJQCOYRFFDSGM-HOSYDEDBSA-N 0 3 283.343 2.067 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000858493923 645180851 /nfs/dbraw/zinc/18/08/51/645180851.db2.gz ANALSRYRDFMGNL-GVXVVHGQSA-N 0 3 262.353 2.005 20 10 CECDHN C[C@H]([NH2+]CCN(C)CC(F)F)c1ccccc1[O-] ZINC000858597622 645217255 /nfs/dbraw/zinc/21/72/55/645217255.db2.gz SGMANHPNAROBAW-JTQLQIEISA-N 0 3 258.312 2.240 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC(C)(C)O ZINC000878152210 651014838 /nfs/dbraw/zinc/01/48/38/651014838.db2.gz WFJVDIIRPTYFEF-CQSZACIVSA-N 0 3 281.396 2.126 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC(C)(C)O ZINC000878152210 651014841 /nfs/dbraw/zinc/01/48/41/651014841.db2.gz WFJVDIIRPTYFEF-CQSZACIVSA-N 0 3 281.396 2.126 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC000769333278 646247126 /nfs/dbraw/zinc/24/71/26/646247126.db2.gz JDCORKALGWMJGA-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC000769333278 646247130 /nfs/dbraw/zinc/24/71/30/646247130.db2.gz JDCORKALGWMJGA-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1C ZINC000769381442 646256645 /nfs/dbraw/zinc/25/66/45/646256645.db2.gz OFVKSWACXIMHOA-ZDUSSCGKSA-N 0 3 279.403 2.418 20 10 CECDHN C[C@](CO)(NCc1ccccc1O)c1cccc(O)c1 ZINC000862431069 646457719 /nfs/dbraw/zinc/45/77/19/646457719.db2.gz CZNWHUWBAUCORW-MRXNPFEDSA-N 0 3 273.332 2.095 20 10 CECDHN CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000775522022 646962940 /nfs/dbraw/zinc/96/29/40/646962940.db2.gz HMRPHOBZEAUHGV-IVMMDQJWSA-N 0 3 278.396 2.152 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000779100380 647287735 /nfs/dbraw/zinc/28/77/35/647287735.db2.gz PKSVZLMCFCPGEL-HNNXBMFYSA-N 0 3 293.313 2.364 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H]2CCC[C@@H]2O)cc1F ZINC000865734735 647444887 /nfs/dbraw/zinc/44/48/87/647444887.db2.gz MNDXYLUZMYPPNO-JSGCOSHPSA-N 0 3 270.323 2.034 20 10 CECDHN CN1CCn2nc(NCc3c(O)cccc3Cl)cc2C1 ZINC000865844144 647489249 /nfs/dbraw/zinc/48/92/49/647489249.db2.gz BKBUWJAWMFUCNA-UHFFFAOYSA-N 0 3 292.770 2.300 20 10 CECDHN CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000783317504 647707812 /nfs/dbraw/zinc/70/78/12/647707812.db2.gz SXLLIYFCAQYRFV-WCABBAIRSA-N 0 3 253.317 2.440 20 10 CECDHN COC1CCN(CC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000783518535 647724012 /nfs/dbraw/zinc/72/40/12/647724012.db2.gz DJGQQEWVVJTQPP-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783518690 647724122 /nfs/dbraw/zinc/72/41/22/647724122.db2.gz NQWFHYGNYOOFQQ-NWDGAFQWSA-N 0 3 253.342 2.094 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](OC)CC1 ZINC000783602136 647735539 /nfs/dbraw/zinc/73/55/39/647735539.db2.gz APJYNYVCFUYQKI-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](OC)CC1 ZINC000783602136 647735541 /nfs/dbraw/zinc/73/55/41/647735541.db2.gz APJYNYVCFUYQKI-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(C)cc1[O-] ZINC000866495617 647805999 /nfs/dbraw/zinc/80/59/99/647805999.db2.gz FWZRBCHEHXPMLY-HNNXBMFYSA-N 0 3 298.390 2.420 20 10 CECDHN CS(=O)(=O)c1ccc(CNCc2ccccc2O)s1 ZINC000786825891 648048544 /nfs/dbraw/zinc/04/85/44/648048544.db2.gz BIBZYKLHSPSRDN-UHFFFAOYSA-N 0 3 297.401 2.147 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788271128 648168375 /nfs/dbraw/zinc/16/83/75/648168375.db2.gz YODKCHKVQUFAHU-JOYOIKCWSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788271128 648168378 /nfs/dbraw/zinc/16/83/78/648168378.db2.gz YODKCHKVQUFAHU-JOYOIKCWSA-N 0 3 255.745 2.309 20 10 CECDHN C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000792724731 648669341 /nfs/dbraw/zinc/66/93/41/648669341.db2.gz DCTGVPFECBYCFP-HZMBPMFUSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000792724731 648669346 /nfs/dbraw/zinc/66/93/46/648669346.db2.gz DCTGVPFECBYCFP-HZMBPMFUSA-N 0 3 295.404 2.003 20 10 CECDHN CO[C@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCOC1 ZINC000123157664 648826688 /nfs/dbraw/zinc/82/66/88/648826688.db2.gz DRQKFDKWMQODBT-WFASDCNBSA-N 0 3 265.353 2.157 20 10 CECDHN O=C1OCC[C@@H]1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000872111731 649280988 /nfs/dbraw/zinc/28/09/88/649280988.db2.gz GDWXRHZJCYWRCJ-STQMWFEESA-N 0 3 275.348 2.312 20 10 CECDHN Cc1cc(C)c(O)c(CN(C)[C@H]2CCCCN(C)C2=O)c1 ZINC000872672410 649453577 /nfs/dbraw/zinc/45/35/77/649453577.db2.gz OCKBPJUHXOETSE-HNNXBMFYSA-N 0 3 290.407 2.452 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@H](O)CO2 ZINC000872713167 649465400 /nfs/dbraw/zinc/46/54/00/649465400.db2.gz LICZAQDQQGYWFG-BFQNTYOBSA-N 0 3 287.359 2.216 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@H](O)CO2 ZINC000872713167 649465401 /nfs/dbraw/zinc/46/54/01/649465401.db2.gz LICZAQDQQGYWFG-BFQNTYOBSA-N 0 3 287.359 2.216 20 10 CECDHN CCCOc1ccc(CN[C@@]2(CO)CCOC2)cc1C ZINC000873105436 649558997 /nfs/dbraw/zinc/55/89/97/649558997.db2.gz WCKRYOPIKVFBFO-MRXNPFEDSA-N 0 3 279.380 2.025 20 10 CECDHN CCCOc1ccc(CN[C@@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000873122546 649562806 /nfs/dbraw/zinc/56/28/06/649562806.db2.gz SUCMNDSHNREMCT-LRDDRELGSA-N 0 3 290.407 2.398 20 10 CECDHN C[C@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129318243 651908480 /nfs/dbraw/zinc/90/84/80/651908480.db2.gz LOSSNBHOFXNTEN-NEPJUHHUSA-N 0 3 298.814 2.208 20 10 CECDHN Cn1nc2c(c1C[NH2+]Cc1ccccc1[O-])CSCC2 ZINC000882955733 652286667 /nfs/dbraw/zinc/28/66/67/652286667.db2.gz RHPCBDROHULGQF-UHFFFAOYSA-N 0 3 289.404 2.205 20 10 CECDHN Cc1cccc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000897392228 806325603 /nfs/dbraw/zinc/32/56/03/806325603.db2.gz SIVOZYJSCXZGJF-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN CCN(CC)c1ccc(CNC[C@@H](C)S(C)(=O)=O)cc1 ZINC000697589994 806599529 /nfs/dbraw/zinc/59/95/29/806599529.db2.gz RFCAAFJMUOOOSU-CYBMUJFWSA-N 0 3 298.452 2.056 20 10 CECDHN CC1(C)CN(Cc2c([O-])cccc2Br)CC[NH2+]1 ZINC000706861355 802847407 /nfs/dbraw/zinc/84/74/07/802847407.db2.gz PPXMMFOSWQJCPP-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@H+](C)C1 ZINC000707156106 802897443 /nfs/dbraw/zinc/89/74/43/802897443.db2.gz SEQMSQGPYDWMRJ-JTQLQIEISA-N 0 3 299.212 2.291 20 10 CECDHN CN(Cc1c([O-])cccc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000707156106 802897448 /nfs/dbraw/zinc/89/74/48/802897448.db2.gz SEQMSQGPYDWMRJ-JTQLQIEISA-N 0 3 299.212 2.291 20 10 CECDHN Cc1noc([N-]C[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001120965624 815302402 /nfs/dbraw/zinc/30/24/02/815302402.db2.gz MRBZXAFYYYQTAY-CQSZACIVSA-N 0 3 289.383 2.159 20 10 CECDHN CN1CC=C(C[NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000708503915 809943951 /nfs/dbraw/zinc/94/39/51/809943951.db2.gz RRRSBAYZGRQJBN-UHFFFAOYSA-N 0 3 268.307 2.022 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168977155 811306410 /nfs/dbraw/zinc/30/64/10/811306410.db2.gz IKVJRLGUQSKPPG-QJPTWQEYSA-N 0 3 264.325 2.488 20 10 CECDHN Oc1ccc(CNc2ccc3c(c2)COC32CNC2)cc1O ZINC001169997103 811878458 /nfs/dbraw/zinc/87/84/58/811878458.db2.gz QUWWVLCZXZWYJZ-UHFFFAOYSA-N 0 3 298.342 2.039 20 10 CECDHN COc1cccc2c1C[C@H]([NH2+]Cc1ccccc1[O-])CO2 ZINC001173143661 815603165 /nfs/dbraw/zinc/60/31/65/815603165.db2.gz BYHYTJVNHJJIRK-ZDUSSCGKSA-N 0 3 285.343 2.494 20 10 CECDHN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000394073296 813335767 /nfs/dbraw/zinc/33/57/67/813335767.db2.gz RTLVYMFYGKOFGO-GHMZBOCLSA-N 0 3 255.333 2.446 20 10 CECDHN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000394073298 813336105 /nfs/dbraw/zinc/33/61/05/813336105.db2.gz RTLVYMFYGKOFGO-QWRGUYRKSA-N 0 3 255.333 2.446 20 10 CECDHN C[C@@H](CNC(=O)c1cccc(O)c1[O-])CC(C)(C)CC[NH3+] ZINC001148224098 814537769 /nfs/dbraw/zinc/53/77/69/814537769.db2.gz BVWJZSRYHUQUIA-LLVKDONJSA-N 0 3 294.395 2.229 20 10 CECDHN C[C@H](CNC(=O)c1cccc(O)c1[O-])CC(C)(C)CC[NH3+] ZINC001148224100 814537819 /nfs/dbraw/zinc/53/78/19/814537819.db2.gz BVWJZSRYHUQUIA-NSHDSACASA-N 0 3 294.395 2.229 20 10 CECDHN CCOc1ccc(N2CCN(C[C@H](C)OC)CC2)cc1 ZINC001116533557 814860789 /nfs/dbraw/zinc/86/07/89/814860789.db2.gz BUACLFCZHUGADN-AWEZNQCLSA-N 0 3 278.396 2.242 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCS2(=O)=O)c([O-])c1 ZINC000714353663 814897600 /nfs/dbraw/zinc/89/76/00/814897600.db2.gz ZOCXKACUGWGOKB-OLZOCXBDSA-N 0 3 297.420 2.319 20 10 CECDHN C[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714383942 814903940 /nfs/dbraw/zinc/90/39/40/814903940.db2.gz XBBBYUWWSPJBDU-NWDGAFQWSA-N 0 3 283.393 2.010 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173734485 815805570 /nfs/dbraw/zinc/80/55/70/815805570.db2.gz FWZNBLHHGMSPSS-XQQFMLRXSA-N 0 3 287.367 2.213 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055140 816179392 /nfs/dbraw/zinc/17/93/92/816179392.db2.gz LDIBWPCDAMSINB-PWSUYJOCSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055140 816179398 /nfs/dbraw/zinc/17/93/98/816179398.db2.gz LDIBWPCDAMSINB-PWSUYJOCSA-N 0 3 281.327 2.162 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)O ZINC001140057815 816181731 /nfs/dbraw/zinc/18/17/31/816181731.db2.gz OIZZKWRAPGRKSR-YGRLFVJLSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@]1(C)O ZINC001140057815 816181736 /nfs/dbraw/zinc/18/17/36/816181736.db2.gz OIZZKWRAPGRKSR-YGRLFVJLSA-N 0 3 253.317 2.124 20 10 CECDHN CCO[C@@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028455 816450360 /nfs/dbraw/zinc/45/03/60/816450360.db2.gz PEMRRUOTTSDOHV-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028455 816450363 /nfs/dbraw/zinc/45/03/63/816450363.db2.gz PEMRRUOTTSDOHV-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)c(OC)c1 ZINC001141029004 816450713 /nfs/dbraw/zinc/45/07/13/816450713.db2.gz GXHTYJNONOXCSK-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN CCC[N@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000124490394 365653263 /nfs/dbraw/zinc/65/32/63/365653263.db2.gz PKMJNOODCYLTFY-UHFFFAOYSA-N 0 3 265.353 2.367 20 10 CECDHN CCC[N@@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000124490394 365653269 /nfs/dbraw/zinc/65/32/69/365653269.db2.gz PKMJNOODCYLTFY-UHFFFAOYSA-N 0 3 265.353 2.367 20 10 CECDHN CC[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000125331127 365671565 /nfs/dbraw/zinc/67/15/65/365671565.db2.gz QWFHPSWXGXJYEQ-AWEZNQCLSA-N 0 3 289.423 2.101 20 10 CECDHN COCCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274277 363532819 /nfs/dbraw/zinc/53/28/19/363532819.db2.gz FVPCHUICOCFACF-UHFFFAOYSA-N 0 3 259.733 2.180 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)OCO2 ZINC000147936647 366578266 /nfs/dbraw/zinc/57/82/66/366578266.db2.gz VAXNJMZMWCSZGM-PHIMTYICSA-N 0 3 261.321 2.353 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)OCO2 ZINC000147936647 366578271 /nfs/dbraw/zinc/57/82/71/366578271.db2.gz VAXNJMZMWCSZGM-PHIMTYICSA-N 0 3 261.321 2.353 20 10 CECDHN CCCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000156099303 366826852 /nfs/dbraw/zinc/82/68/52/366826852.db2.gz RJQWJNJDAIFVSS-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000156099303 366826859 /nfs/dbraw/zinc/82/68/59/366826859.db2.gz RJQWJNJDAIFVSS-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000019963699 361572315 /nfs/dbraw/zinc/57/23/15/361572315.db2.gz CMZGXSDLXSDVGU-CMPLNLGQSA-N 0 3 251.326 2.230 20 10 CECDHN COc1cccc(C[NH+]2CCC(n3ccnc3)CC2)c1[O-] ZINC000092648786 364093389 /nfs/dbraw/zinc/09/33/89/364093389.db2.gz BUDPNCMZRHPYKT-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)CC)c([O-])c1 ZINC000111384889 364733110 /nfs/dbraw/zinc/73/31/10/364733110.db2.gz CNZQYCWUYQMFCK-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)C[S@](C)=O)cc1 ZINC000168215678 367350009 /nfs/dbraw/zinc/35/00/09/367350009.db2.gz GLUYKHMCAPUWFL-ORAYPTAESA-N 0 3 282.453 2.389 20 10 CECDHN C[C@@H](C[S@](C)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515644 367355508 /nfs/dbraw/zinc/35/55/08/367355508.db2.gz IRNMNHHTHYJJGL-OAVHHTNSSA-N 0 3 268.426 2.170 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000180058131 368367339 /nfs/dbraw/zinc/36/73/39/368367339.db2.gz FWDHJVPPBKKMON-LLVKDONJSA-N 0 3 281.327 2.116 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000180058131 368367343 /nfs/dbraw/zinc/36/73/43/368367343.db2.gz FWDHJVPPBKKMON-LLVKDONJSA-N 0 3 281.327 2.116 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560945 368386608 /nfs/dbraw/zinc/38/66/08/368386608.db2.gz ZQLBMCPKWBANFK-NSHDSACASA-N 0 3 296.798 2.441 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)c1[O-] ZINC000180560945 368386611 /nfs/dbraw/zinc/38/66/11/368386611.db2.gz ZQLBMCPKWBANFK-NSHDSACASA-N 0 3 296.798 2.441 20 10 CECDHN CCOCCN(C)Cc1cc(OCC)ccc1O ZINC000181483120 368461646 /nfs/dbraw/zinc/46/16/46/368461646.db2.gz XOZTWQRJFZWVAV-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN Cc1noc(C)c1CNCc1cc(F)ccc1O ZINC000226586403 370347123 /nfs/dbraw/zinc/34/71/23/370347123.db2.gz UDIVMQVNYXLROJ-UHFFFAOYSA-N 0 3 250.273 2.426 20 10 CECDHN CC(C)(C)OC(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619415 370348559 /nfs/dbraw/zinc/34/85/59/370348559.db2.gz SYCVLKZGERPFSJ-UHFFFAOYSA-N 0 3 284.331 2.146 20 10 CECDHN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609357 370349316 /nfs/dbraw/zinc/34/93/16/370349316.db2.gz MHVVCAMFGAEVOU-LBPRGKRZSA-N 0 3 255.333 2.418 20 10 CECDHN CN(C)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1 ZINC000246783559 371010311 /nfs/dbraw/zinc/01/03/11/371010311.db2.gz QHLHAPBHPGJOGN-HZPDHXFCSA-N 0 3 292.448 2.459 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248842807 371254258 /nfs/dbraw/zinc/25/42/58/371254258.db2.gz OLLPWFIICXHRQE-WHOFXGATSA-N 0 3 275.348 2.166 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249236654 371306023 /nfs/dbraw/zinc/30/60/23/371306023.db2.gz WCGCXCASASNFOC-OUCADQQQSA-N 0 3 251.301 2.188 20 10 CECDHN O=C(NCc1ccccc1O)[C@H]1CCCN1C1CCCC1 ZINC000269701730 372540826 /nfs/dbraw/zinc/54/08/26/372540826.db2.gz PRKADBRGZSDUFO-OAHLLOKOSA-N 0 3 288.391 2.415 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1ccccc1[O-] ZINC000364354476 372736451 /nfs/dbraw/zinc/73/64/51/372736451.db2.gz OXZZLEKXNAPWTO-UXOAXIEHSA-N 0 3 288.391 2.442 20 10 CECDHN CCCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c([O-])c1 ZINC000270705278 372910826 /nfs/dbraw/zinc/91/08/26/372910826.db2.gz JOWNVJZBOCSOQQ-LLVKDONJSA-N 0 3 267.369 2.430 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c([O-])c1 ZINC000367436856 373153862 /nfs/dbraw/zinc/15/38/62/373153862.db2.gz HMKREBBJDLCNFP-FABXCBLPSA-N 0 3 288.391 2.408 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[O-] ZINC000367067887 373136679 /nfs/dbraw/zinc/13/66/79/373136679.db2.gz OWGQMUDJNLGYLR-NKFCBESUSA-N 0 3 274.364 2.100 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000271782149 373200075 /nfs/dbraw/zinc/20/00/75/373200075.db2.gz HVFRBLXQJKIEGN-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000271782149 373200088 /nfs/dbraw/zinc/20/00/88/373200088.db2.gz HVFRBLXQJKIEGN-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000271782144 373201788 /nfs/dbraw/zinc/20/17/88/373201788.db2.gz HVFRBLXQJKIEGN-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000271782144 373201792 /nfs/dbraw/zinc/20/17/92/373201792.db2.gz HVFRBLXQJKIEGN-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000272520638 373529579 /nfs/dbraw/zinc/52/95/79/373529579.db2.gz YFPDBPGHVAHJJS-KOLCDFICSA-N 0 3 281.249 2.323 20 10 CECDHN CN1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000272611756 373580276 /nfs/dbraw/zinc/58/02/76/373580276.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000272611756 373580281 /nfs/dbraw/zinc/58/02/81/373580281.db2.gz KMDFKDDCTRXLOP-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000272611754 373581192 /nfs/dbraw/zinc/58/11/92/373581192.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000272611754 373581197 /nfs/dbraw/zinc/58/11/97/373581197.db2.gz KMDFKDDCTRXLOP-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273347921 373753378 /nfs/dbraw/zinc/75/33/78/373753378.db2.gz BBHLHQWMNUBPDS-QWHCGFSZSA-N 0 3 267.369 2.057 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c([O-])c1C ZINC000273379302 373753888 /nfs/dbraw/zinc/75/38/88/373753888.db2.gz HVOUXOVEEPISAC-UKRRQHHQSA-N 0 3 292.423 2.380 20 10 CECDHN COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])OC ZINC000273392638 373754818 /nfs/dbraw/zinc/75/48/18/373754818.db2.gz DVWMDEMKMATAON-QWHCGFSZSA-N 0 3 267.369 2.321 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1C ZINC000273555401 373765400 /nfs/dbraw/zinc/76/54/00/373765400.db2.gz GUCYPLAFKLUZET-IUODEOHRSA-N 0 3 289.379 2.127 20 10 CECDHN CCn1cnnc1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000371535813 373914746 /nfs/dbraw/zinc/91/47/46/373914746.db2.gz SHJNTZRBYAKSDJ-UHFFFAOYSA-N 0 3 286.379 2.383 20 10 CECDHN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890907 374635938 /nfs/dbraw/zinc/63/59/38/374635938.db2.gz FFRGXWZCBJFGMW-FZMZJTMJSA-N 0 3 292.354 2.022 20 10 CECDHN O=C1C[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890907 374635944 /nfs/dbraw/zinc/63/59/44/374635944.db2.gz FFRGXWZCBJFGMW-FZMZJTMJSA-N 0 3 292.354 2.022 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[O-] ZINC000375301878 374650225 /nfs/dbraw/zinc/65/02/25/374650225.db2.gz HZDQZXIKTGVOCL-ZQIUZPCESA-N 0 3 288.391 2.490 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC12CCOCC2 ZINC000375733637 374673433 /nfs/dbraw/zinc/67/34/33/374673433.db2.gz UDKKUIYPDGHFFS-UHFFFAOYSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC12CCOCC2 ZINC000375733637 374673441 /nfs/dbraw/zinc/67/34/41/374673441.db2.gz UDKKUIYPDGHFFS-UHFFFAOYSA-N 0 3 251.301 2.286 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC2([S@@](C)=O)CC2)c1[O-] ZINC000281718699 375394771 /nfs/dbraw/zinc/39/47/71/375394771.db2.gz IIUBXBXWRUKTLY-GOSISDBHSA-N 0 3 287.812 2.355 20 10 CECDHN CC[C@@H]([NH2+][C@H](CO)CCOC)c1ccc(C)cc1[O-] ZINC000281764877 375395883 /nfs/dbraw/zinc/39/58/83/375395883.db2.gz WOSIHVKHGAQDNI-GXTWGEPZSA-N 0 3 267.369 2.139 20 10 CECDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000281158303 375358970 /nfs/dbraw/zinc/35/89/70/375358970.db2.gz PMDNNDCCQPNDPF-HNNXBMFYSA-N 0 3 296.798 2.312 20 10 CECDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000281158303 375358976 /nfs/dbraw/zinc/35/89/76/375358976.db2.gz PMDNNDCCQPNDPF-HNNXBMFYSA-N 0 3 296.798 2.312 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c([O-])c1 ZINC000282187400 375423214 /nfs/dbraw/zinc/42/32/14/375423214.db2.gz GAUHKKWQJCDNPA-BBATYDOGSA-N 0 3 267.394 2.262 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CSC2(C)C)c1[O-] ZINC000282657958 375541233 /nfs/dbraw/zinc/54/12/33/375541233.db2.gz IKEZFSKEPLTSMC-NSHDSACASA-N 0 3 253.367 2.384 20 10 CECDHN CCCC[N@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000282486872 375496637 /nfs/dbraw/zinc/49/66/37/375496637.db2.gz PJLYLWPJLKWUCY-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCCC[N@@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000282486872 375496644 /nfs/dbraw/zinc/49/66/44/375496644.db2.gz PJLYLWPJLKWUCY-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCCCN(CC(=O)N1CCC1)Cc1ccccc1O ZINC000282511552 375503939 /nfs/dbraw/zinc/50/39/39/375503939.db2.gz SBKPFWCSRHPADN-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1 ZINC000284966590 375832682 /nfs/dbraw/zinc/83/26/82/375832682.db2.gz FQFGCPUSZSXNMF-NSHDSACASA-N 0 3 264.369 2.171 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1 ZINC000284966587 375833409 /nfs/dbraw/zinc/83/34/09/375833409.db2.gz FQFGCPUSZSXNMF-LLVKDONJSA-N 0 3 264.369 2.171 20 10 CECDHN COCCOCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000288407774 376376917 /nfs/dbraw/zinc/37/69/17/376376917.db2.gz BUTQIFNHYVYHBI-UHFFFAOYSA-N 0 3 267.369 2.104 20 10 CECDHN COCCOCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000288407774 376376920 /nfs/dbraw/zinc/37/69/20/376376920.db2.gz BUTQIFNHYVYHBI-UHFFFAOYSA-N 0 3 267.369 2.104 20 10 CECDHN COc1cccc(C[NH2+]C[C@](C)(OC)C2CC2)c1[O-] ZINC000291053180 377051164 /nfs/dbraw/zinc/05/11/64/377051164.db2.gz NOUGGVKPWJASQR-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293677666 377693593 /nfs/dbraw/zinc/69/35/93/377693593.db2.gz KDZAZHUYONOCTP-NWDGAFQWSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000294450960 377989097 /nfs/dbraw/zinc/98/90/97/377989097.db2.gz VQBGGTMAUSDHGO-MJBXVCDLSA-N 0 3 279.380 2.200 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CCCO)c1 ZINC000294863034 378025607 /nfs/dbraw/zinc/02/56/07/378025607.db2.gz TZDRTLOOZMMCMP-RYUDHWBXSA-N 0 3 267.369 2.460 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@H](C)NC1CC1 ZINC000295336819 378110421 /nfs/dbraw/zinc/11/04/21/378110421.db2.gz ZWAPJEGEPDTEQF-LBPRGKRZSA-N 0 3 276.380 2.271 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CC(N)=O)C2)cc1C ZINC000093808728 394669337 /nfs/dbraw/zinc/66/93/37/394669337.db2.gz DGNBEWPHNCPOQP-CYBMUJFWSA-N 0 3 276.380 2.096 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1C ZINC000093808728 394669341 /nfs/dbraw/zinc/66/93/41/394669341.db2.gz DGNBEWPHNCPOQP-CYBMUJFWSA-N 0 3 276.380 2.096 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000121939872 394806260 /nfs/dbraw/zinc/80/62/60/394806260.db2.gz APXWNDPNLGESII-KOLCDFICSA-N 0 3 263.259 2.356 20 10 CECDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@H](C)C1 ZINC000282367585 394918176 /nfs/dbraw/zinc/91/81/76/394918176.db2.gz QCINKKGMFFALDE-PWSUYJOCSA-N 0 3 279.336 2.120 20 10 CECDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@H](C)C1 ZINC000282367585 394918178 /nfs/dbraw/zinc/91/81/78/394918178.db2.gz QCINKKGMFFALDE-PWSUYJOCSA-N 0 3 279.336 2.120 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)(C)O ZINC000293731406 395249046 /nfs/dbraw/zinc/24/90/46/395249046.db2.gz UWGRYJPWUFKTQL-AWEZNQCLSA-N 0 3 283.368 2.049 20 10 CECDHN COCC1(O)CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293790293 395252113 /nfs/dbraw/zinc/25/21/13/395252113.db2.gz MLKPDKFQNCVVFU-UHFFFAOYSA-N 0 3 292.423 2.034 20 10 CECDHN CC(C)[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183395170 395256101 /nfs/dbraw/zinc/25/61/01/395256101.db2.gz NVQMOTGOVJXQCD-HOCLYGCPSA-N 0 3 292.423 2.400 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000193502837 395409601 /nfs/dbraw/zinc/40/96/01/395409601.db2.gz WRCUKTNZPLBDMG-GXTWGEPZSA-N 0 3 277.364 2.440 20 10 CECDHN CCN(CC)c1ccc(CN[C@](C)(CCO)COC)cc1 ZINC000175855142 400288605 /nfs/dbraw/zinc/28/86/05/400288605.db2.gz ZOTGGUFHGCKUKK-QGZVFWFLSA-N 0 3 294.439 2.410 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088601 174101620 /nfs/dbraw/zinc/10/16/20/174101620.db2.gz DAXLOCSNWZXRGZ-QWRGUYRKSA-N 0 3 252.358 2.002 20 10 CECDHN COCCOCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296080882 292577425 /nfs/dbraw/zinc/57/74/25/292577425.db2.gz SNLXEEHYUDXIDZ-CYBMUJFWSA-N 0 3 265.353 2.022 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1cc(F)ccc1[O-] ZINC000367177469 227052415 /nfs/dbraw/zinc/05/24/15/227052415.db2.gz ALOXNNZVIFVWAT-ZLKJLUDKSA-N 0 3 292.354 2.335 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCC(=O)NC(C)C)cc1 ZINC000160925851 261231433 /nfs/dbraw/zinc/23/14/33/261231433.db2.gz VYCFPYCSIHCVQG-ZDUSSCGKSA-N 0 3 277.412 2.318 20 10 CECDHN COc1cccc(CNCc2cncs2)c1O ZINC000168972796 261427236 /nfs/dbraw/zinc/42/72/36/261427236.db2.gz YUJNATCPBVXVHD-UHFFFAOYSA-N 0 3 250.323 2.147 20 10 CECDHN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1cc(F)ccc1[O-] ZINC000184917446 262033199 /nfs/dbraw/zinc/03/31/99/262033199.db2.gz IYEXQCBQQAEULH-SNVBAGLBSA-N 0 3 292.310 2.205 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185467721 262305298 /nfs/dbraw/zinc/30/52/98/262305298.db2.gz QNZIWECOGNTLQQ-WFASDCNBSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1C ZINC000363264243 267082786 /nfs/dbraw/zinc/08/27/86/267082786.db2.gz KHQJIEBPCGZFHH-NWANDNLSSA-N 0 3 288.391 2.108 20 10 CECDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1C ZINC000363264243 267082788 /nfs/dbraw/zinc/08/27/88/267082788.db2.gz KHQJIEBPCGZFHH-NWANDNLSSA-N 0 3 288.391 2.108 20 10 CECDHN O=C1NC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000368214842 267152805 /nfs/dbraw/zinc/15/28/05/267152805.db2.gz HIXONSZFGZNYKW-HIFRSBDPSA-N 0 3 296.370 2.113 20 10 CECDHN O=C1NC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000368214842 267152808 /nfs/dbraw/zinc/15/28/08/267152808.db2.gz HIXONSZFGZNYKW-HIFRSBDPSA-N 0 3 296.370 2.113 20 10 CECDHN CC(C)[C@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368393577 267168383 /nfs/dbraw/zinc/16/83/83/267168383.db2.gz PKGGYNNATUHNNI-QGZVFWFLSA-N 0 3 274.408 2.469 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371310498 267386676 /nfs/dbraw/zinc/38/66/76/267386676.db2.gz LIQCONOOWRFZQO-JSGCOSHPSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371310498 267386678 /nfs/dbraw/zinc/38/66/78/267386678.db2.gz LIQCONOOWRFZQO-JSGCOSHPSA-N 0 3 277.364 2.259 20 10 CECDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@@H]1OC ZINC000272683493 276353017 /nfs/dbraw/zinc/35/30/17/276353017.db2.gz TWIOIYQQONZKDW-IMJJTQAJSA-N 0 3 296.386 2.174 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H](O)C(F)F ZINC000296493887 276590345 /nfs/dbraw/zinc/59/03/45/276590345.db2.gz OTRCHNQAGJIQCN-OPQQBVKSSA-N 0 3 271.307 2.374 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000280054239 288057402 /nfs/dbraw/zinc/05/74/02/288057402.db2.gz JTNGOXHZLIKEGC-AAEUAGOBSA-N 0 3 264.369 2.218 20 10 CECDHN CC[C@H](N[C@@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048542 288063384 /nfs/dbraw/zinc/06/33/84/288063384.db2.gz WYAHFYQIAKKAJD-HOCLYGCPSA-N 0 3 280.412 2.191 20 10 CECDHN C[C@H](Cn1cncn1)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000269056275 298932043 /nfs/dbraw/zinc/93/20/43/298932043.db2.gz WUQBDPZFDWTDLT-OLZOCXBDSA-N 0 3 273.384 2.083 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)(F)F ZINC000270973772 328194354 /nfs/dbraw/zinc/19/43/54/328194354.db2.gz KHRBLDQIFGBKJI-MWLCHTKSSA-N 0 3 263.259 2.184 20 10 CECDHN CCC[C@]1([NH2+]Cc2cc(OC)c(OC)cc2[O-])CCOC1 ZINC000289947682 328257037 /nfs/dbraw/zinc/25/70/37/328257037.db2.gz YNIKSNRSVHEDSH-INIZCTEOSA-N 0 3 295.379 2.458 20 10 CECDHN CCN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226581928 329261517 /nfs/dbraw/zinc/26/15/17/329261517.db2.gz LZHICAKBMLDJSN-ZDUSSCGKSA-N 0 3 252.333 2.105 20 10 CECDHN [O-]c1ccccc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000361429635 328925553 /nfs/dbraw/zinc/92/55/53/328925553.db2.gz OLCLZCWJFMSDSF-UHFFFAOYSA-N 0 3 269.344 2.012 20 10 CECDHN COC[C@H]1CCCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000375096254 329000364 /nfs/dbraw/zinc/00/03/64/329000364.db2.gz DNALPYBSYKZPEB-LBPRGKRZSA-N 0 3 293.363 2.369 20 10 CECDHN COC[C@H]1CCCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000375096254 329000365 /nfs/dbraw/zinc/00/03/65/329000365.db2.gz DNALPYBSYKZPEB-LBPRGKRZSA-N 0 3 293.363 2.369 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000378109232 329040206 /nfs/dbraw/zinc/04/02/06/329040206.db2.gz JUAAANWDKYWSRX-ZDUSSCGKSA-N 0 3 257.337 2.071 20 10 CECDHN COC[C@@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228672582 329344303 /nfs/dbraw/zinc/34/43/03/329344303.db2.gz KJCGVIXZSGPSJS-VIFPVBQESA-N 0 3 273.760 2.426 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188571710 329369832 /nfs/dbraw/zinc/36/98/32/329369832.db2.gz WCGCXCASASNFOC-BZPMIXESSA-N 0 3 251.301 2.188 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-] ZINC000249778802 329910171 /nfs/dbraw/zinc/91/01/71/329910171.db2.gz KXVLDTDJDGXJJF-SCRDCRAPSA-N 0 3 263.337 2.058 20 10 CECDHN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000229884992 333310751 /nfs/dbraw/zinc/31/07/51/333310751.db2.gz VYYXJJINMJNZIN-ZDUSSCGKSA-N 0 3 286.379 2.097 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@](C)(OC)C2)c1[O-] ZINC000230300019 333316050 /nfs/dbraw/zinc/31/60/50/333316050.db2.gz WTJLJSYQTNFWQI-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@](C)(OC)C2)c1[O-] ZINC000230300019 333316051 /nfs/dbraw/zinc/31/60/51/333316051.db2.gz WTJLJSYQTNFWQI-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CCO)C(C)C)c1[O-] ZINC000230690044 333321047 /nfs/dbraw/zinc/32/10/47/333321047.db2.gz GSLXKRGLANRWEV-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC(C)(C)C ZINC000135719374 334137060 /nfs/dbraw/zinc/13/70/60/334137060.db2.gz XDACWZXBIDJVTG-GHMZBOCLSA-N 0 3 264.369 2.346 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000278504521 521653307 /nfs/dbraw/zinc/65/33/07/521653307.db2.gz QVIAWUILARNEKL-CKQAKLJMSA-N 0 3 283.343 2.112 20 10 CECDHN CCOCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072952751 519911051 /nfs/dbraw/zinc/91/10/51/519911051.db2.gz YXMMQCPYXJWQGB-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN CCOCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000072952751 519911054 /nfs/dbraw/zinc/91/10/54/519911054.db2.gz YXMMQCPYXJWQGB-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN CCN(CCNC(=O)N(C)Cc1ccccc1O)C1CC1 ZINC000102066473 521055163 /nfs/dbraw/zinc/05/51/63/521055163.db2.gz PGVLNEOLUSAIJS-UHFFFAOYSA-N 0 3 291.395 2.018 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccco2)c1 ZINC000266165102 521150544 /nfs/dbraw/zinc/15/05/44/521150544.db2.gz PBWVOMOAGWKXFB-INIZCTEOSA-N 0 3 291.347 2.381 20 10 CECDHN CCOc1cccc(C[NH2+]C(CC)(CC)CO)c1[O-] ZINC000053047076 521360437 /nfs/dbraw/zinc/36/04/37/521360437.db2.gz LRHDXRPNABEURF-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CC[N@@H+]1CC[C@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083551967 521717232 /nfs/dbraw/zinc/71/72/32/521717232.db2.gz OEXNXZPGVHLYAF-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CC[N@H+]1CC[C@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083551967 521717233 /nfs/dbraw/zinc/71/72/33/521717233.db2.gz OEXNXZPGVHLYAF-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CCN1CC[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083551967 521717234 /nfs/dbraw/zinc/71/72/34/521717234.db2.gz OEXNXZPGVHLYAF-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280282061 521743753 /nfs/dbraw/zinc/74/37/53/521743753.db2.gz YOIBUOJHZHJGIK-YPMHNXCESA-N 0 3 264.369 2.266 20 10 CECDHN CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280888534 522628307 /nfs/dbraw/zinc/62/83/07/522628307.db2.gz OVYRROWTAUOJKB-LZWOXQAQSA-N 0 3 293.407 2.386 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084063233 522750290 /nfs/dbraw/zinc/75/02/90/522750290.db2.gz CKFZPAOQMBPRSH-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C)cc1[O-] ZINC000279990242 522750842 /nfs/dbraw/zinc/75/08/42/522750842.db2.gz FGUZHFRIMZETNF-KBPBESRZSA-N 0 3 276.380 2.410 20 10 CECDHN COc1cc([O-])c(C[NH2+]C2CC(F)(F)C2)cc1OC ZINC000277287089 522776264 /nfs/dbraw/zinc/77/62/64/522776264.db2.gz AKCGPQONYPHDHD-UHFFFAOYSA-N 0 3 273.279 2.297 20 10 CECDHN COc1cc(O)c(CNC2CC(F)(F)C2)cc1OC ZINC000277287089 522776272 /nfs/dbraw/zinc/77/62/72/522776272.db2.gz AKCGPQONYPHDHD-UHFFFAOYSA-N 0 3 273.279 2.297 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H](CO)CC2CCC2)cc1OC ZINC000279953015 522780710 /nfs/dbraw/zinc/78/07/10/522780710.db2.gz ZSGYJGCZTHALFE-ZDUSSCGKSA-N 0 3 295.379 2.050 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280272605 522825997 /nfs/dbraw/zinc/82/59/97/522825997.db2.gz YAMOBBPEIGBZOE-MRXNPFEDSA-N 0 3 292.423 2.464 20 10 CECDHN COCCN(CCOC)Cc1ccc(N(C)C)c(C)c1 ZINC000293347840 523719725 /nfs/dbraw/zinc/71/97/25/523719725.db2.gz DMHSDGKUODDPDR-UHFFFAOYSA-N 0 3 280.412 2.156 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000367698793 524404265 /nfs/dbraw/zinc/40/42/65/524404265.db2.gz FYVWODZFXFPZIH-CQSZACIVSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000367698793 524404272 /nfs/dbraw/zinc/40/42/72/524404272.db2.gz FYVWODZFXFPZIH-CQSZACIVSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000289894637 524433573 /nfs/dbraw/zinc/43/35/73/524433573.db2.gz TWXCHVZZUIVEHA-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN COc1ccc(O)c(CN[C@H](CO)c2ccccc2)c1 ZINC000062999662 524754610 /nfs/dbraw/zinc/75/46/10/524754610.db2.gz UNVHTYNLWOTNTQ-OAHLLOKOSA-N 0 3 273.332 2.224 20 10 CECDHN Cc1cc(CNCc2ccccc2O)nc(N2CCCC2)n1 ZINC000292882728 524761857 /nfs/dbraw/zinc/76/18/57/524761857.db2.gz XYRZQQYKGIPBBJ-UHFFFAOYSA-N 0 3 298.390 2.381 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000037155339 524772998 /nfs/dbraw/zinc/77/29/98/524772998.db2.gz PYSBDYJKCMVGAY-RYUDHWBXSA-N 0 3 275.352 2.337 20 10 CECDHN C[C@@H]1CN(CCC[NH2+]Cc2cc(F)ccc2[O-])CCCO1 ZINC000277646513 524950296 /nfs/dbraw/zinc/95/02/96/524950296.db2.gz YUSNJEXUKGOGHP-CYBMUJFWSA-N 0 3 296.386 2.122 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CN2CCOCC2)cc1C ZINC000278616964 525312276 /nfs/dbraw/zinc/31/22/76/525312276.db2.gz DTHFSPGDEZQGGJ-HNNXBMFYSA-N 0 3 292.423 2.162 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CN2CCOCC2)cc1C ZINC000278616964 525312284 /nfs/dbraw/zinc/31/22/84/525312284.db2.gz DTHFSPGDEZQGGJ-HNNXBMFYSA-N 0 3 292.423 2.162 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000128119860 525363548 /nfs/dbraw/zinc/36/35/48/525363548.db2.gz WNVYOIFFEFVXDG-LBPRGKRZSA-N 0 3 259.353 2.327 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(F)ccc1[O-] ZINC000297368739 525677830 /nfs/dbraw/zinc/67/78/30/525677830.db2.gz QJWOIDKDPUYRDD-OCCSQVGLSA-N 0 3 296.386 2.029 20 10 CECDHN C[C@H](O)CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000127666920 525721742 /nfs/dbraw/zinc/72/17/42/525721742.db2.gz XBBRVLDMGLQARD-NSHDSACASA-N 0 3 254.349 2.094 20 10 CECDHN COc1cccc(CNCc2cnn(C(C)C)c2)c1O ZINC000265035925 526027438 /nfs/dbraw/zinc/02/74/38/526027438.db2.gz HFXPZYWCPLNYPT-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN COc1cccc(C[NH2+][C@@H](CO)Cc2ccccc2)c1[O-] ZINC000063218262 526032136 /nfs/dbraw/zinc/03/21/36/526032136.db2.gz KLTPEWAMGLCSOO-OAHLLOKOSA-N 0 3 287.359 2.094 20 10 CECDHN COc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000063218261 526036149 /nfs/dbraw/zinc/03/61/49/526036149.db2.gz KLTPEWAMGLCSOO-HNNXBMFYSA-N 0 3 287.359 2.094 20 10 CECDHN COc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000279851477 526037581 /nfs/dbraw/zinc/03/75/81/526037581.db2.gz RUDLQMRDEUGFOC-ZDUSSCGKSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1nnc(CC[NH2+][C@H](C)c2ccccc2[O-])s1 ZINC000289897287 526329069 /nfs/dbraw/zinc/32/90/69/526329069.db2.gz SXNGXHARGJZSBX-SECBINFHSA-N 0 3 263.366 2.445 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCCOCC1CC1)OCO2 ZINC000042879555 526336721 /nfs/dbraw/zinc/33/67/21/526336721.db2.gz SXRIWNVNWONMHR-UHFFFAOYSA-N 0 3 279.336 2.027 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCOCC(F)(F)C(F)F ZINC000277486535 526372201 /nfs/dbraw/zinc/37/22/01/526372201.db2.gz NEXFAOQYUXNIDR-UHFFFAOYSA-N 0 3 281.249 2.399 20 10 CECDHN O=C(c1cc([O-])cs1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000733806343 574687270 /nfs/dbraw/zinc/68/72/70/574687270.db2.gz ZGVZHPVXMJWJGG-LLVKDONJSA-N 0 3 280.393 2.154 20 10 CECDHN O=C(C1=CC(=O)CS1)N1CCC[C@@H](N2CCCC2)C1 ZINC000733806343 574687272 /nfs/dbraw/zinc/68/72/72/574687272.db2.gz ZGVZHPVXMJWJGG-LLVKDONJSA-N 0 3 280.393 2.154 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000734005141 574696983 /nfs/dbraw/zinc/69/69/83/574696983.db2.gz XMQTUSKADZAKMP-QGZVFWFLSA-N 0 3 287.359 2.398 20 10 CECDHN CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc([O-])cs1 ZINC000743718244 575109228 /nfs/dbraw/zinc/10/92/28/575109228.db2.gz MADJPWZLGCKFSM-LLVKDONJSA-N 0 3 282.409 2.400 20 10 CECDHN CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc([O-])cs1 ZINC000743718244 575109229 /nfs/dbraw/zinc/10/92/29/575109229.db2.gz MADJPWZLGCKFSM-LLVKDONJSA-N 0 3 282.409 2.400 20 10 CECDHN C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000746409918 575155928 /nfs/dbraw/zinc/15/59/28/575155928.db2.gz SVLQGVBVZYJADJ-GFCCVEGCSA-N 0 3 294.420 2.258 20 10 CECDHN C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000746409918 575155929 /nfs/dbraw/zinc/15/59/29/575155929.db2.gz SVLQGVBVZYJADJ-GFCCVEGCSA-N 0 3 294.420 2.258 20 10 CECDHN C[C@@H](NC(=O)c1cc([O-])cs1)C(C)(C)C[NH+](C)C ZINC000748328043 575183362 /nfs/dbraw/zinc/18/33/62/575183362.db2.gz XVMQAYYQHHSFPM-SECBINFHSA-N 0 3 270.398 2.160 20 10 CECDHN CCOc1ccc(C[NH2+]C2(C)CCOCC2)c([O-])c1 ZINC000752101031 575305416 /nfs/dbraw/zinc/30/54/16/575305416.db2.gz QGJDLORQRMKWDI-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000753374247 575324918 /nfs/dbraw/zinc/32/49/18/575324918.db2.gz RMNXYMPLMLASPT-KBPBESRZSA-N 0 3 265.353 2.304 20 10 CECDHN CC(=O)NC1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC000753590373 575331205 /nfs/dbraw/zinc/33/12/05/575331205.db2.gz MRXDQHDFADJZQT-UHFFFAOYSA-N 0 3 276.380 2.271 20 10 CECDHN CC(=O)NC1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000753590373 575331206 /nfs/dbraw/zinc/33/12/06/575331206.db2.gz MRXDQHDFADJZQT-UHFFFAOYSA-N 0 3 276.380 2.271 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813333026 623156473 /nfs/dbraw/zinc/15/64/73/623156473.db2.gz IFPDTIINZSUGEF-AWEZNQCLSA-N 0 3 251.326 2.025 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)c([O-])c1 ZINC000725848860 625830548 /nfs/dbraw/zinc/83/05/48/625830548.db2.gz AECCLPNJWZMRJD-LBPRGKRZSA-N 0 3 287.363 2.302 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)OC)c1ccc(C)cc1[O-] ZINC000850478285 627282664 /nfs/dbraw/zinc/28/26/64/627282664.db2.gz RHRNXTUMMKVOMW-CYBMUJFWSA-N 0 3 252.358 2.235 20 10 CECDHN C[C@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)[S@@](C)=O ZINC000311044809 627357543 /nfs/dbraw/zinc/35/75/43/627357543.db2.gz HDAOXAYXFHDZQA-AJLCLMPTSA-N 0 3 267.394 2.126 20 10 CECDHN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(F)ccc1[O-] ZINC000310981738 628342276 /nfs/dbraw/zinc/34/22/76/628342276.db2.gz RDOYJVOZTCVHEH-XPTSAGLGSA-N 0 3 253.317 2.343 20 10 CECDHN COc1ccc(CN2CCOCC3(CC3)C2)c(O)c1OC ZINC000893502876 628658964 /nfs/dbraw/zinc/65/89/64/628658964.db2.gz OOFVKQDGJUAJMI-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc(C)cc(CNC[C@@H](OC)C(F)(F)F)c1O ZINC000894251821 629260050 /nfs/dbraw/zinc/26/00/50/629260050.db2.gz QFKLCBJNILMZKY-LLVKDONJSA-N 0 3 293.285 2.376 20 10 CECDHN COc1ccc(CN2C[C@@H](C)[C@@H]2C)c(O)c1OC ZINC000894627536 629562055 /nfs/dbraw/zinc/56/20/55/629562055.db2.gz IXBKSJXYWAJFLY-ZJUUUORDSA-N 0 3 251.326 2.250 20 10 CECDHN COC(=O)[C@H]1[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1(F)F ZINC000895460065 630202248 /nfs/dbraw/zinc/20/22/48/630202248.db2.gz ITSWAJXVJGFKED-PTOFAABTSA-N 0 3 285.290 2.097 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccccc1F ZINC000895749925 630329074 /nfs/dbraw/zinc/32/90/74/630329074.db2.gz VMQBBVJJLKHRQU-CQSZACIVSA-N 0 3 293.313 2.364 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895845850 630363094 /nfs/dbraw/zinc/36/30/94/630363094.db2.gz PHIQCQUPDHJFNP-GFCCVEGCSA-N 0 3 275.270 2.139 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895845850 630363096 /nfs/dbraw/zinc/36/30/96/630363096.db2.gz PHIQCQUPDHJFNP-GFCCVEGCSA-N 0 3 275.270 2.139 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@H]1OC ZINC000895851974 630376323 /nfs/dbraw/zinc/37/63/23/630376323.db2.gz LXDPXNDOBLEKBS-OBCWZRDOSA-N 0 3 265.353 2.235 20 10 CECDHN C[C@@]1([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397028 630552668 /nfs/dbraw/zinc/55/26/68/630552668.db2.gz ULMKPOOOAGFNJA-BBRMVZONSA-N 0 3 290.363 2.103 20 10 CECDHN C[C@@]1([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397028 630552671 /nfs/dbraw/zinc/55/26/71/630552671.db2.gz ULMKPOOOAGFNJA-BBRMVZONSA-N 0 3 290.363 2.103 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896855018 630693554 /nfs/dbraw/zinc/69/35/54/630693554.db2.gz POHYXTWVNKXKGC-SUHUHFCYSA-N 0 3 263.312 2.212 20 10 CECDHN COc1cccc(O)c1CNCc1ccnc(C)c1 ZINC000824597839 635459644 /nfs/dbraw/zinc/45/96/44/635459644.db2.gz XSNNXJWCIKLWDF-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CCC[N@@H+]1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712153 631130417 /nfs/dbraw/zinc/13/04/17/631130417.db2.gz ZUBAIQUHURMOKF-GFCCVEGCSA-N 0 3 294.370 2.270 20 10 CECDHN CCC[N@H+]1CCC[C@@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712153 631130423 /nfs/dbraw/zinc/13/04/23/631130423.db2.gz ZUBAIQUHURMOKF-GFCCVEGCSA-N 0 3 294.370 2.270 20 10 CECDHN CCCCN(CC(=O)N(C)OC)Cc1ccccc1O ZINC000801595111 631296475 /nfs/dbraw/zinc/29/64/75/631296475.db2.gz IFXIFHOGSGKFFZ-UHFFFAOYSA-N 0 3 280.368 2.014 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897511721 631603091 /nfs/dbraw/zinc/60/30/91/631603091.db2.gz PCICEUHYYRPTOQ-DOMZBBRYSA-N 0 3 277.364 2.448 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714019 632004495 /nfs/dbraw/zinc/00/44/95/632004495.db2.gz LMJDUDYRHSLLJD-JTQLQIEISA-N 0 3 284.787 2.483 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCN1CCC(C)(C)C1 ZINC000898035506 632030490 /nfs/dbraw/zinc/03/04/90/632030490.db2.gz SHJSCVABPSPXLY-UHFFFAOYSA-N 0 3 278.396 2.222 20 10 CECDHN COc1ccc(CNCc2cnc([C@@H](C)O)s2)c(O)c1 ZINC000809658468 632123957 /nfs/dbraw/zinc/12/39/57/632123957.db2.gz OESQNYCQYVIRKU-SECBINFHSA-N 0 3 294.376 2.200 20 10 CECDHN CC[C@@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855914 632358392 /nfs/dbraw/zinc/35/83/92/632358392.db2.gz LQTPVDCOTBIFSM-MRXNPFEDSA-N 0 3 289.423 2.373 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1n1cccn1 ZINC000815167179 632975648 /nfs/dbraw/zinc/97/56/48/632975648.db2.gz TVDIMSRGWZABCW-BMFZPTHFSA-N 0 3 287.363 2.097 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCC2CS(=O)(=O)C2)c([O-])c1 ZINC000815619566 633039033 /nfs/dbraw/zinc/03/90/33/633039033.db2.gz QROVBDNCJSDCIL-LBPRGKRZSA-N 0 3 297.420 2.094 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC2CS(=O)(=O)C2)c([O-])c1 ZINC000815619565 633039122 /nfs/dbraw/zinc/03/91/22/633039122.db2.gz QROVBDNCJSDCIL-GFCCVEGCSA-N 0 3 297.420 2.094 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000817587561 633702955 /nfs/dbraw/zinc/70/29/55/633702955.db2.gz YREDAIDAPLDKSX-GFCCVEGCSA-N 0 3 276.380 2.315 20 10 CECDHN CC[C@H]([NH2+]C1CCNCC1)c1ccc(F)cc1[O-] ZINC000817936749 633788004 /nfs/dbraw/zinc/78/80/04/633788004.db2.gz QWUCRUZZGVFZDT-ZDUSSCGKSA-N 0 3 252.333 2.324 20 10 CECDHN C[C@@H](NC[C@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817952540 633797743 /nfs/dbraw/zinc/79/77/43/633797743.db2.gz RMZBOPIPBXVTON-MWLCHTKSSA-N 0 3 254.761 2.448 20 10 CECDHN CC[C@@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1[O-] ZINC000817964773 633806018 /nfs/dbraw/zinc/80/60/18/633806018.db2.gz IFEHIAOLLPUVJF-GFCCVEGCSA-N 0 3 252.333 2.453 20 10 CECDHN CCN[C@H](C)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817974097 633817528 /nfs/dbraw/zinc/81/75/28/633817528.db2.gz YJVNMXSONDIMNH-BDAKNGLRSA-N 0 3 258.312 2.319 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824846454 635510313 /nfs/dbraw/zinc/51/03/13/635510313.db2.gz SHFFLVDDQXTLDH-WMLDXEAASA-N 0 3 291.391 2.288 20 10 CECDHN CC[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000905088677 635802280 /nfs/dbraw/zinc/80/22/80/635802280.db2.gz KDBGMAPZSRDIKB-CYBMUJFWSA-N 0 3 289.297 2.415 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000827017787 636190904 /nfs/dbraw/zinc/19/09/04/636190904.db2.gz LBIFJKPAJIXARP-IYBDPMFKSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000827017787 636190908 /nfs/dbraw/zinc/19/09/08/636190908.db2.gz LBIFJKPAJIXARP-IYBDPMFKSA-N 0 3 277.364 2.259 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151680 636238260 /nfs/dbraw/zinc/23/82/60/636238260.db2.gz IASXWDNAWONPIZ-OAHLLOKOSA-N 0 3 265.328 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151680 636238262 /nfs/dbraw/zinc/23/82/62/636238262.db2.gz IASXWDNAWONPIZ-OAHLLOKOSA-N 0 3 265.328 2.268 20 10 CECDHN CCOc1cccc(CN2CCCc3n[nH]cc3C2)c1O ZINC000828013940 636486293 /nfs/dbraw/zinc/48/62/93/636486293.db2.gz PEQDUZLOIDYZLV-UHFFFAOYSA-N 0 3 287.363 2.462 20 10 CECDHN C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576305 637103760 /nfs/dbraw/zinc/10/37/60/637103760.db2.gz FNFRTROAAUSVRR-CMPLNLGQSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576305 637103766 /nfs/dbraw/zinc/10/37/66/637103766.db2.gz FNFRTROAAUSVRR-CMPLNLGQSA-N 0 3 280.393 2.010 20 10 CECDHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576305 637103773 /nfs/dbraw/zinc/10/37/73/637103773.db2.gz FNFRTROAAUSVRR-CMPLNLGQSA-N 0 3 280.393 2.010 20 10 CECDHN CCCCN(Cc1ccccc1O)C(=O)Cc1c[nH]cn1 ZINC000908044310 637222015 /nfs/dbraw/zinc/22/20/15/637222015.db2.gz ANLQMWOSVHSUGI-UHFFFAOYSA-N 0 3 287.363 2.487 20 10 CECDHN CCN(Cc1cnn(C)c1)Cc1ccc(C)cc1O ZINC000876635202 650369174 /nfs/dbraw/zinc/36/91/74/650369174.db2.gz OZXIMBVCFHDQHQ-UHFFFAOYSA-N 0 3 259.353 2.456 20 10 CECDHN COC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000834689293 637920492 /nfs/dbraw/zinc/92/04/92/637920492.db2.gz MHFGOYZYAGIVQS-CYBMUJFWSA-N 0 3 277.364 2.165 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876657932 650382517 /nfs/dbraw/zinc/38/25/17/650382517.db2.gz LQRBGGIIWRHYQQ-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876657932 650382518 /nfs/dbraw/zinc/38/25/18/650382518.db2.gz LQRBGGIIWRHYQQ-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044562 638036180 /nfs/dbraw/zinc/03/61/80/638036180.db2.gz MCTZHOGYEZIRFW-ABCZVMIZSA-N 0 3 299.418 2.119 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C(C)C)N1CCOCC1 ZINC000876909321 650482512 /nfs/dbraw/zinc/48/25/12/650482512.db2.gz XJSZWBKSLKMGGD-MRXNPFEDSA-N 0 3 292.423 2.147 20 10 CECDHN CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000226613509 639556152 /nfs/dbraw/zinc/55/61/52/639556152.db2.gz GFCYOCWAXQRSML-STQMWFEESA-N 0 3 253.317 2.434 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NC(C)(C)C ZINC000840931230 639590329 /nfs/dbraw/zinc/59/03/29/639590329.db2.gz VFXCNRQKEHITFY-ZDUSSCGKSA-N 0 3 291.439 2.454 20 10 CECDHN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000840978545 639607908 /nfs/dbraw/zinc/60/79/08/639607908.db2.gz OIMYYEWHCWHKJV-GHMZBOCLSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000840978545 639607910 /nfs/dbraw/zinc/60/79/10/639607910.db2.gz OIMYYEWHCWHKJV-GHMZBOCLSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062127 639638001 /nfs/dbraw/zinc/63/80/01/639638001.db2.gz GIHQKSQVCCJPBI-DTWKUNHWSA-N 0 3 272.751 2.415 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H]2CCOC2)c1[O-] ZINC000228660253 639650425 /nfs/dbraw/zinc/65/04/25/639650425.db2.gz PEDBFOPQOTXOQR-NSHDSACASA-N 0 3 271.744 2.275 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCOC2)c1[O-] ZINC000228660253 639650429 /nfs/dbraw/zinc/65/04/29/639650429.db2.gz PEDBFOPQOTXOQR-NSHDSACASA-N 0 3 271.744 2.275 20 10 CECDHN COc1cc(Cl)cc(CN(C)[C@H]2CCOC2)c1O ZINC000228660253 639650431 /nfs/dbraw/zinc/65/04/31/639650431.db2.gz PEDBFOPQOTXOQR-NSHDSACASA-N 0 3 271.744 2.275 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)c1ccccc1[O-] ZINC000228929467 639665360 /nfs/dbraw/zinc/66/53/60/639665360.db2.gz RNHQNXFXQZONGU-DGCLKSJQSA-N 0 3 264.369 2.346 20 10 CECDHN Cc1ccc(C[NH2+]Cc2cccc(CO)c2)c([O-])c1 ZINC000877015689 650532007 /nfs/dbraw/zinc/53/20/07/650532007.db2.gz ZWCRJFXHLFKQTN-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000877049536 650547965 /nfs/dbraw/zinc/54/79/65/650547965.db2.gz GRFFXTQBOZMGMA-KGLIPLIRSA-N 0 3 297.420 2.146 20 10 CECDHN CC(=O)c1cc(F)cc(C[NH2+][C@@H](CN)C(C)(C)C)c1[O-] ZINC000842475941 640074522 /nfs/dbraw/zinc/07/45/22/640074522.db2.gz YLILSJNXVUIAFE-ZDUSSCGKSA-N 0 3 282.359 2.197 20 10 CECDHN Cc1cc([O-])c(CN2CCC[NH2+]CC2)c(Cl)c1 ZINC000843045815 640251566 /nfs/dbraw/zinc/25/15/66/640251566.db2.gz XDIPRPAZUWKRDQ-UHFFFAOYSA-N 0 3 254.761 2.149 20 10 CECDHN C[C@H]([NH3+])[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843058485 640261979 /nfs/dbraw/zinc/26/19/79/640261979.db2.gz UIAHEKIYZLQXAF-UWVGGRQHSA-N 0 3 254.761 2.215 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@]2(CC[NH2+]C2)C1 ZINC000843124367 640290533 /nfs/dbraw/zinc/29/05/33/640290533.db2.gz ZGVHCKXPCILRPE-OAHLLOKOSA-N 0 3 264.344 2.107 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccco2)c([O-])c1 ZINC000877092838 650568837 /nfs/dbraw/zinc/56/88/37/650568837.db2.gz LCUVUBCWNJSDEI-CYBMUJFWSA-N 0 3 275.348 2.234 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@H](C)[NH3+])c1[O-] ZINC000843346098 640396853 /nfs/dbraw/zinc/39/68/53/640396853.db2.gz LSVAJBNEGJGCIP-BONVTDFDSA-N 0 3 294.370 2.436 20 10 CECDHN COCC1(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000843419019 640421675 /nfs/dbraw/zinc/42/16/75/640421675.db2.gz OTSCULJYMSEBPY-UHFFFAOYSA-N 0 3 253.317 2.438 20 10 CECDHN CC(C)(C)[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000843490365 640441916 /nfs/dbraw/zinc/44/19/16/640441916.db2.gz STTWPZBQOQAVSF-OAHLLOKOSA-N 0 3 290.407 2.261 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000877132957 650588086 /nfs/dbraw/zinc/58/80/86/650588086.db2.gz SBUOCHRJQMMWKE-BBRMVZONSA-N 0 3 277.364 2.128 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756297 640828298 /nfs/dbraw/zinc/82/82/98/640828298.db2.gz JXAHIFUOVGGOAF-TZMCWYRMSA-N 0 3 297.301 2.049 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756297 640828299 /nfs/dbraw/zinc/82/82/99/640828299.db2.gz JXAHIFUOVGGOAF-TZMCWYRMSA-N 0 3 297.301 2.049 20 10 CECDHN CCOc1ccc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113544 641188291 /nfs/dbraw/zinc/18/82/91/641188291.db2.gz YMNGKXXDSVGFOS-TXEJJXNPSA-N 0 3 269.291 2.488 20 10 CECDHN CCN1C[C@@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000846207825 641222410 /nfs/dbraw/zinc/22/24/10/641222410.db2.gz GHOOPGDEBHWPOF-CHWSQXEVSA-N 0 3 276.380 2.220 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CCF)c2c1c(F)ccc2[O-] ZINC000846208769 641222996 /nfs/dbraw/zinc/22/29/96/641222996.db2.gz KYMFSHUSDDSEOP-FXPVBKGRSA-N 0 3 271.307 2.390 20 10 CECDHN CC(C)C[N@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000846660736 641378929 /nfs/dbraw/zinc/37/89/29/641378929.db2.gz XHTUAPRJZLDZLU-UHFFFAOYSA-N 0 3 270.398 2.161 20 10 CECDHN CC(C)C[N@@H+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000846660736 641378933 /nfs/dbraw/zinc/37/89/33/641378933.db2.gz XHTUAPRJZLDZLU-UHFFFAOYSA-N 0 3 270.398 2.161 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCC(=O)NCC2CC2)cc1 ZINC000181295249 641534938 /nfs/dbraw/zinc/53/49/38/641534938.db2.gz LMXUTQGQUPFFDK-ZDUSSCGKSA-N 0 3 289.423 2.320 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC(C)C)c([O-])c1 ZINC000185117366 641938387 /nfs/dbraw/zinc/93/83/87/641938387.db2.gz ADBVXONTKMSKIY-KBPBESRZSA-N 0 3 281.396 2.385 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185530999 641990780 /nfs/dbraw/zinc/99/07/80/641990780.db2.gz KVNLZPVSELAXLC-KOLCDFICSA-N 0 3 273.373 2.296 20 10 CECDHN CCc1cccc(C[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000848902908 642180262 /nfs/dbraw/zinc/18/02/62/642180262.db2.gz JMLXHHWNEZRVHI-MRXNPFEDSA-N 0 3 293.407 2.222 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@@H]1C ZINC000877467005 650732628 /nfs/dbraw/zinc/73/26/28/650732628.db2.gz VDZYZJHKKPOWBW-VXGBXAGGSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@@H]1C ZINC000877467005 650732630 /nfs/dbraw/zinc/73/26/30/650732630.db2.gz VDZYZJHKKPOWBW-VXGBXAGGSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC000877466970 650732822 /nfs/dbraw/zinc/73/28/22/650732822.db2.gz UTBPCVCZWGPUJW-DGCLKSJQSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC000877466970 650732824 /nfs/dbraw/zinc/73/28/24/650732824.db2.gz UTBPCVCZWGPUJW-DGCLKSJQSA-N 0 3 263.337 2.084 20 10 CECDHN CCCNC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027898 642241234 /nfs/dbraw/zinc/24/12/34/642241234.db2.gz PYOZJLQORGKEIV-UHFFFAOYSA-N 0 3 286.173 2.179 20 10 CECDHN COc1ccc(N2CC[C@H](N[C@H](C)c3cnccn3)C2)cc1 ZINC000849322128 642327244 /nfs/dbraw/zinc/32/72/44/642327244.db2.gz OAVDFYRBYYNSGQ-KGLIPLIRSA-N 0 3 298.390 2.415 20 10 CECDHN COCCO[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877502315 650753445 /nfs/dbraw/zinc/75/34/45/650753445.db2.gz FOQNWRHQSJMTMP-CQSZACIVSA-N 0 3 279.380 2.328 20 10 CECDHN COCCO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877502315 650753446 /nfs/dbraw/zinc/75/34/46/650753446.db2.gz FOQNWRHQSJMTMP-CQSZACIVSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1cnn2c1CCC2 ZINC000850137451 642591191 /nfs/dbraw/zinc/59/11/91/642591191.db2.gz PEQIZVFXPGPXKL-UHFFFAOYSA-N 0 3 284.407 2.494 20 10 CECDHN C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000850355441 642679748 /nfs/dbraw/zinc/67/97/48/642679748.db2.gz IRNGHHUXORTRME-VBHSOAQHSA-N 0 3 267.394 2.172 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1CCC(O)CC1 ZINC000850395070 642698772 /nfs/dbraw/zinc/69/87/72/642698772.db2.gz NIECKPOASXMEBF-UHFFFAOYSA-N 0 3 265.353 2.042 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C)cc1[O-] ZINC000850547165 642748500 /nfs/dbraw/zinc/74/85/00/642748500.db2.gz BOIJZUZRUYEBKG-CYBMUJFWSA-N 0 3 280.368 2.440 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000850577577 642756125 /nfs/dbraw/zinc/75/61/25/642756125.db2.gz ANMUZPOEPFPZJQ-CDLYGTGVSA-N 0 3 251.301 2.193 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000877593515 650805559 /nfs/dbraw/zinc/80/55/59/650805559.db2.gz BUSOXQSESUZVJW-NSHDSACASA-N 0 3 270.323 2.130 20 10 CECDHN COC(OC)[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000922314058 643021590 /nfs/dbraw/zinc/02/15/90/643021590.db2.gz XTEHDTMWJXVULS-YBJDMEARSA-N 0 3 278.396 2.363 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](COC)OC ZINC000851791611 643164742 /nfs/dbraw/zinc/16/47/42/643164742.db2.gz DKHZZLITYCTCIL-CQSZACIVSA-N 0 3 267.369 2.266 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](COC)OC ZINC000851791611 643164743 /nfs/dbraw/zinc/16/47/43/643164743.db2.gz DKHZZLITYCTCIL-CQSZACIVSA-N 0 3 267.369 2.266 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000839182221 644181468 /nfs/dbraw/zinc/18/14/68/644181468.db2.gz LRSHEGQAFDJBQL-LSDHHAIUSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1[O-] ZINC000877758036 650900200 /nfs/dbraw/zinc/90/02/00/650900200.db2.gz FUMDNBDRTNLNAQ-NSHDSACASA-N 0 3 274.368 2.043 20 10 CECDHN CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000855162522 644261956 /nfs/dbraw/zinc/26/19/56/644261956.db2.gz XVZHZJGLCGAHLS-JTQLQIEISA-N 0 3 282.409 2.304 20 10 CECDHN CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000855162522 644261962 /nfs/dbraw/zinc/26/19/62/644261962.db2.gz XVZHZJGLCGAHLS-JTQLQIEISA-N 0 3 282.409 2.304 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877796929 650913835 /nfs/dbraw/zinc/91/38/35/650913835.db2.gz NIRXWXOVRMRAIR-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877796929 650913836 /nfs/dbraw/zinc/91/38/36/650913836.db2.gz NIRXWXOVRMRAIR-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756355139 644634291 /nfs/dbraw/zinc/63/42/91/644634291.db2.gz JMQLDYWDMHFPPD-ATZCPNFKSA-N 0 3 280.343 2.194 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756355140 644634401 /nfs/dbraw/zinc/63/44/01/644634401.db2.gz JMQLDYWDMHFPPD-QXEWZRGKSA-N 0 3 280.343 2.194 20 10 CECDHN CCOc1cncc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000856768631 644715209 /nfs/dbraw/zinc/71/52/09/644715209.db2.gz MMOKJYLSGPKMCR-UHFFFAOYSA-N 0 3 258.321 2.476 20 10 CECDHN [NH3+][C@@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000857226165 644858249 /nfs/dbraw/zinc/85/82/49/644858249.db2.gz GSDKSPAWYWWTLU-BXUZGUMPSA-N 0 3 266.772 2.359 20 10 CECDHN [NH3+][C@]12CCC[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC000857226778 644859635 /nfs/dbraw/zinc/85/96/35/644859635.db2.gz ZDCRWAFHPONXSD-HZMBPMFUSA-N 0 3 266.772 2.359 20 10 CECDHN CN1CCO[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@H]21 ZINC000760424732 645155683 /nfs/dbraw/zinc/15/56/83/645155683.db2.gz PIRVLZDUOMNIMB-AEFFLSMTSA-N 0 3 298.386 2.060 20 10 CECDHN CN1CCO[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@H]21 ZINC000760424732 645155684 /nfs/dbraw/zinc/15/56/84/645155684.db2.gz PIRVLZDUOMNIMB-AEFFLSMTSA-N 0 3 298.386 2.060 20 10 CECDHN C[C@@H]([NH2+]CCN(C)CC(F)F)c1cc(F)ccc1[O-] ZINC000858596119 645216454 /nfs/dbraw/zinc/21/64/54/645216454.db2.gz BFGJXIWUSCDETP-SECBINFHSA-N 0 3 276.302 2.379 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000761216618 645258333 /nfs/dbraw/zinc/25/83/33/645258333.db2.gz UVNIGWBQEXOAPG-LBPRGKRZSA-N 0 3 285.771 2.305 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000768231548 646099607 /nfs/dbraw/zinc/09/96/07/646099607.db2.gz VWCGEQNMOBYWFS-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000768231548 646099615 /nfs/dbraw/zinc/09/96/15/646099615.db2.gz VWCGEQNMOBYWFS-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768447990 646123583 /nfs/dbraw/zinc/12/35/83/646123583.db2.gz SMYDJOAJWDLMRD-CQSZACIVSA-N 0 3 263.337 2.050 20 10 CECDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768447990 646123588 /nfs/dbraw/zinc/12/35/88/646123588.db2.gz SMYDJOAJWDLMRD-CQSZACIVSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CC1CCOCC1 ZINC000769384584 646257960 /nfs/dbraw/zinc/25/79/60/646257960.db2.gz RGPMCDNLPYVWOG-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CC1CCOCC1 ZINC000769384584 646257962 /nfs/dbraw/zinc/25/79/62/646257962.db2.gz RGPMCDNLPYVWOG-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc(O)c1CN(C)CCOCC1CC1 ZINC000769523307 646282027 /nfs/dbraw/zinc/28/20/27/646282027.db2.gz FTISYANDEBFTDZ-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC(=O)N(C)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770509482 646400312 /nfs/dbraw/zinc/40/03/12/646400312.db2.gz AOVVXZYHOAZXKF-UHFFFAOYSA-N 0 3 292.379 2.445 20 10 CECDHN Cc1cccc(CN[C@](C)(CO)c2cccc(O)c2)c1O ZINC000862432610 646457976 /nfs/dbraw/zinc/45/79/76/646457976.db2.gz KHTXILJTEBSZMS-QGZVFWFLSA-N 0 3 287.359 2.404 20 10 CECDHN Cc1ccc(O)c(CNC(=O)CN2[C@H](C)CC[C@@H]2C)c1 ZINC000862761002 646559586 /nfs/dbraw/zinc/55/95/86/646559586.db2.gz ZQYZNTVLBXZWGC-BETUJISGSA-N 0 3 276.380 2.190 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000775416813 646952480 /nfs/dbraw/zinc/95/24/80/646952480.db2.gz YANGBNQLNXDGOW-CQSZACIVSA-N 0 3 276.380 2.492 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775416254 646952676 /nfs/dbraw/zinc/95/26/76/646952676.db2.gz XMMGVVCFTUFQFX-ZFWWWQNUSA-N 0 3 279.380 2.220 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)CN1C ZINC000775983106 647012938 /nfs/dbraw/zinc/01/29/38/647012938.db2.gz BCEMKENWEYEHSW-CHWSQXEVSA-N 0 3 279.403 2.416 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCN(C)C2)c1[O-] ZINC000776174121 647031567 /nfs/dbraw/zinc/03/15/67/647031567.db2.gz ADOLNMOAFSAPKQ-GFCCVEGCSA-N 0 3 299.212 2.257 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@@H]2COC[C@@H]2O)cc1 ZINC000865666794 647414792 /nfs/dbraw/zinc/41/47/92/647414792.db2.gz NNWGQVPFGAWBIZ-SJORKVTESA-N 0 3 292.423 2.162 20 10 CECDHN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783506584 647722229 /nfs/dbraw/zinc/72/22/29/647722229.db2.gz YMDXVPKJKNECDE-RYUDHWBXSA-N 0 3 257.337 2.464 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(CC)CCOC2)c([O-])c1 ZINC000791004564 648471807 /nfs/dbraw/zinc/47/18/07/648471807.db2.gz MUYNVOGJHCDBCB-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN FC1(CNCc2ccc(N3CCOCC3)cc2)CC1 ZINC000792929337 648689079 /nfs/dbraw/zinc/68/90/79/648689079.db2.gz CAKKZVWAECIQGO-UHFFFAOYSA-N 0 3 264.344 2.115 20 10 CECDHN CCCOc1ccc(CN[C@@H]2CCCN(C)C2=O)cc1C ZINC000873071102 649550869 /nfs/dbraw/zinc/55/08/69/649550869.db2.gz JEWNUYPNBRVLQO-OAHLLOKOSA-N 0 3 290.407 2.494 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000873156083 649573491 /nfs/dbraw/zinc/57/34/91/649573491.db2.gz OUTCVUOFXRYVIN-LLVKDONJSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1[O-] ZINC000879650487 651335834 /nfs/dbraw/zinc/33/58/34/651335834.db2.gz CMJGFSKFGAXFFM-LBPRGKRZSA-N 0 3 285.347 2.467 20 10 CECDHN CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651759 651336068 /nfs/dbraw/zinc/33/60/68/651336068.db2.gz JURGEQLKMRCNIW-SRVKXCTJSA-N 0 3 264.369 2.346 20 10 CECDHN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000883040807 652341268 /nfs/dbraw/zinc/34/12/68/652341268.db2.gz OCXUXJGFALMPCD-NSHDSACASA-N 0 3 279.290 2.041 20 10 CECDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccccc1[O-] ZINC000883277005 652422138 /nfs/dbraw/zinc/42/21/38/652422138.db2.gz SODRYWFSHHGBRW-GXTWGEPZSA-N 0 3 275.348 2.487 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NCC(C)C)c1 ZINC000135727415 652983801 /nfs/dbraw/zinc/98/38/01/652983801.db2.gz SPCHUVYPIXIMSN-NEPJUHHUSA-N 0 3 294.395 2.212 20 10 CECDHN CC(C)CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000135812092 652993335 /nfs/dbraw/zinc/99/33/35/652993335.db2.gz VFFHRZPPWAWOHM-CYBMUJFWSA-N 0 3 277.412 2.175 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723545751 802884413 /nfs/dbraw/zinc/88/44/13/802884413.db2.gz KUPDQAUYKDMVJQ-OCCSQVGLSA-N 0 3 276.380 2.301 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000724586342 803180988 /nfs/dbraw/zinc/18/09/88/803180988.db2.gz OBEDGZXCYNKNIH-ZWUHOBOKSA-N 0 3 277.364 2.155 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690771728 803475475 /nfs/dbraw/zinc/47/54/75/803475475.db2.gz RHWMNUFDQSTMOI-MFKMUULPSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000690771728 803475477 /nfs/dbraw/zinc/47/54/77/803475477.db2.gz RHWMNUFDQSTMOI-MFKMUULPSA-N 0 3 251.301 2.142 20 10 CECDHN CCCO[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028530 803666830 /nfs/dbraw/zinc/66/68/30/803666830.db2.gz SQRMZDDPEQRYRQ-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN CCCO[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028530 803666832 /nfs/dbraw/zinc/66/68/32/803666832.db2.gz SQRMZDDPEQRYRQ-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712701589 805413656 /nfs/dbraw/zinc/41/36/56/805413656.db2.gz NBPJIMVZYLPLLN-CYBMUJFWSA-N 0 3 263.337 2.168 20 10 CECDHN Cc1nc(N)ccc1C[N@@H+](C)Cc1ccccc1[O-] ZINC001232343365 807255701 /nfs/dbraw/zinc/25/57/01/807255701.db2.gz WUNDXLKDSOQOSZ-UHFFFAOYSA-N 0 3 257.337 2.310 20 10 CECDHN Cc1nc(N)ccc1C[N@H+](C)Cc1ccccc1[O-] ZINC001232343365 807255707 /nfs/dbraw/zinc/25/57/07/807255707.db2.gz WUNDXLKDSOQOSZ-UHFFFAOYSA-N 0 3 257.337 2.310 20 10 CECDHN CN1CC2(CCC1=O)CC[NH+](Cc1ccccc1[O-])CC2 ZINC001272618074 807820440 /nfs/dbraw/zinc/82/04/40/807820440.db2.gz AUBHOUBAVUKBLN-UHFFFAOYSA-N 0 3 288.391 2.227 20 10 CECDHN C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370984 809731269 /nfs/dbraw/zinc/73/12/69/809731269.db2.gz JFLJFPXRXNYNAY-SWLSCSKDSA-N 0 3 275.396 2.024 20 10 CECDHN COC[C@@H](CC[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000710667689 810002503 /nfs/dbraw/zinc/00/25/03/810002503.db2.gz IGGUZHYUNHPWFQ-ZYHUDNBSSA-N 0 3 271.332 2.233 20 10 CECDHN CC[C@@H]([NH2+]CCCn1cncn1)c1ccccc1[O-] ZINC000381662642 810655466 /nfs/dbraw/zinc/65/54/66/810655466.db2.gz FBTSHTGLHFXOKY-CYBMUJFWSA-N 0 3 260.341 2.115 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000386259055 813163009 /nfs/dbraw/zinc/16/30/09/813163009.db2.gz MHHOOVYGCRBVBK-ZDUSSCGKSA-N 0 3 253.317 2.172 20 10 CECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000388733967 813243173 /nfs/dbraw/zinc/24/31/73/813243173.db2.gz CGYHEYBMXXXAJW-MNOVXSKESA-N 0 3 253.317 2.436 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000392461492 813305075 /nfs/dbraw/zinc/30/50/75/813305075.db2.gz OZHSZDLZLHHZGM-IUCAKERBSA-N 0 3 276.340 2.239 20 10 CECDHN [O-]c1cc(O)cc(O)c1C[N@H+](C1CCC1)C1CCOCC1 ZINC001144520141 814095609 /nfs/dbraw/zinc/09/56/09/814095609.db2.gz HHVMHZPNHCMHQZ-UHFFFAOYSA-N 0 3 293.363 2.337 20 10 CECDHN [O-]c1cc(O)cc(O)c1C[N@@H+](C1CCC1)C1CCOCC1 ZINC001144520141 814095615 /nfs/dbraw/zinc/09/56/15/814095615.db2.gz HHVMHZPNHCMHQZ-UHFFFAOYSA-N 0 3 293.363 2.337 20 10 CECDHN Cc1nc2c(s1)CN(Cc1c(O)cc(O)cc1O)CC2 ZINC001144509250 814098098 /nfs/dbraw/zinc/09/80/98/814098098.db2.gz QIANGWUQOBWESS-UHFFFAOYSA-N 0 3 292.360 2.127 20 10 CECDHN CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000714244780 814890330 /nfs/dbraw/zinc/89/03/30/814890330.db2.gz RNRRUJKEFCFPKX-NQBHXWOUSA-N 0 3 283.393 2.009 20 10 CECDHN CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1c([O-])cccc1F ZINC001137838898 815694383 /nfs/dbraw/zinc/69/43/83/815694383.db2.gz MEERLONKGVDFAF-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1C[C@H]2[C@H](C1)CCC[N@H+]2Cc1c([O-])cccc1F ZINC001137838898 815694389 /nfs/dbraw/zinc/69/43/89/815694389.db2.gz MEERLONKGVDFAF-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001140054966 816177993 /nfs/dbraw/zinc/17/79/93/816177993.db2.gz BMXQOGLSENEVRG-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001140054966 816177996 /nfs/dbraw/zinc/17/79/96/816177996.db2.gz BMXQOGLSENEVRG-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN CCOC(=O)C1CN(Cc2c(C)ccc(C)c2O)C1 ZINC001140182696 816206024 /nfs/dbraw/zinc/20/60/24/816206024.db2.gz XNBPFWDFYVOZIN-UHFFFAOYSA-N 0 3 263.337 2.004 20 10 CECDHN CCO[C@@H]1CCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144823 816485644 /nfs/dbraw/zinc/48/56/44/816485644.db2.gz LYZKAFMOPDQSRH-CQSZACIVSA-N 0 3 276.380 2.126 20 10 CECDHN C[N@H+](CCn1cc(Cl)cn1)Cc1ccccc1[O-] ZINC000838893567 816556847 /nfs/dbraw/zinc/55/68/47/816556847.db2.gz DOFGAZQKCNPUJV-UHFFFAOYSA-N 0 3 265.744 2.374 20 10 CECDHN C[N@@H+](CCn1cc(Cl)cn1)Cc1ccccc1[O-] ZINC000838893567 816556851 /nfs/dbraw/zinc/55/68/51/816556851.db2.gz DOFGAZQKCNPUJV-UHFFFAOYSA-N 0 3 265.744 2.374 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000038013624 361981204 /nfs/dbraw/zinc/98/12/04/361981204.db2.gz YKRZPQFRVKIPIC-RYUDHWBXSA-N 0 3 294.395 2.356 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1[O-] ZINC000042812102 362121223 /nfs/dbraw/zinc/12/12/23/362121223.db2.gz MATQKMXIWKZHQB-ZDUSSCGKSA-N 0 3 265.353 2.450 20 10 CECDHN CN(CCn1cncn1)Cc1ccc(N2CCCCC2)cc1 ZINC000066155431 343708539 /nfs/dbraw/zinc/70/85/39/343708539.db2.gz PNDKDOOZJSLDMR-UHFFFAOYSA-N 0 3 299.422 2.400 20 10 CECDHN COc1cccc(CN2CCCO[C@H](C)C2)c1O ZINC000134155574 366293546 /nfs/dbraw/zinc/29/35/46/366293546.db2.gz RUFXKWSBZMKNBS-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000156030877 366825217 /nfs/dbraw/zinc/82/52/17/366825217.db2.gz TXLXWHXZJCRTMV-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1[O-] ZINC000156030877 366825225 /nfs/dbraw/zinc/82/52/25/366825225.db2.gz TXLXWHXZJCRTMV-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CC(C)N1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729017 363996529 /nfs/dbraw/zinc/99/65/29/363996529.db2.gz ROMNGQXXKAVRHQ-CJNGLKHVSA-N 0 3 289.423 2.413 20 10 CECDHN C[C@@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196421 368371855 /nfs/dbraw/zinc/37/18/55/368371855.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 0 3 266.360 2.446 20 10 CECDHN C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196421 368371858 /nfs/dbraw/zinc/37/18/58/368371858.db2.gz NFFSJWFTAWWQTR-BXUZGUMPSA-N 0 3 266.360 2.446 20 10 CECDHN CC[N@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180225235 368373201 /nfs/dbraw/zinc/37/32/01/368373201.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 0 3 266.360 2.305 20 10 CECDHN CC[N@@H+](C)C[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180225235 368373203 /nfs/dbraw/zinc/37/32/03/368373203.db2.gz OAZOTJRRSGBDTF-GFCCVEGCSA-N 0 3 266.360 2.305 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000180935355 368405088 /nfs/dbraw/zinc/40/50/88/368405088.db2.gz ZDZWEUQLEFFSHZ-UHFFFAOYSA-N 0 3 255.745 2.359 20 10 CECDHN COCC1=CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000185047185 368739553 /nfs/dbraw/zinc/73/95/53/368739553.db2.gz UFFJTJQFODEAAC-UHFFFAOYSA-N 0 3 293.363 2.188 20 10 CECDHN CCN(Cc1ccccc1O)C[C@@H](O)C(F)(F)F ZINC000189863877 369573510 /nfs/dbraw/zinc/57/35/10/369573510.db2.gz DICRVRBMPBDWOK-LLVKDONJSA-N 0 3 263.259 2.137 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000189951089 369582087 /nfs/dbraw/zinc/58/20/87/369582087.db2.gz PJGPTFHBFWIAQV-AAEUAGOBSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000190304516 369611851 /nfs/dbraw/zinc/61/18/51/369611851.db2.gz MDAQKAMPHHCNAZ-FZMZJTMJSA-N 0 3 265.353 2.042 20 10 CECDHN CCC[N@H+](CCN1CCO[C@H](C)C1)Cc1ccccc1[O-] ZINC000192750047 369848596 /nfs/dbraw/zinc/84/85/96/369848596.db2.gz HUNWALNTWMPXDQ-OAHLLOKOSA-N 0 3 292.423 2.325 20 10 CECDHN CCC[N@@H+](CCN1CCO[C@H](C)C1)Cc1ccccc1[O-] ZINC000192750047 369848599 /nfs/dbraw/zinc/84/85/99/369848599.db2.gz HUNWALNTWMPXDQ-OAHLLOKOSA-N 0 3 292.423 2.325 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224810364 370282648 /nfs/dbraw/zinc/28/26/48/370282648.db2.gz AJPVDMBHSMMLPQ-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)CC(C)(C)C)c1[O-] ZINC000227372888 370369760 /nfs/dbraw/zinc/36/97/60/370369760.db2.gz XWCGXFOJAOPPEM-LBPRGKRZSA-N 0 3 267.369 2.288 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000248846973 371255814 /nfs/dbraw/zinc/25/58/14/371255814.db2.gz PIEHNMUCQYYQEJ-YUELXQCFSA-N 0 3 289.375 2.474 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1OC ZINC000249132450 371298740 /nfs/dbraw/zinc/29/87/40/371298740.db2.gz DGIKIDRBKCJNIE-OUCADQQQSA-N 0 3 293.363 2.067 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC(n3cccn3)CC2)c1 ZINC000360466608 371516040 /nfs/dbraw/zinc/51/60/40/371516040.db2.gz NFAKHXPMJXEQPS-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@@H](C)OC)c1[O-] ZINC000263787528 371949075 /nfs/dbraw/zinc/94/90/75/371949075.db2.gz GVVUPTYFAJZKBK-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC(OC)CC2)c1 ZINC000271031300 373080160 /nfs/dbraw/zinc/08/01/60/373080160.db2.gz HLBBIKUEIXYESD-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C ZINC000368963200 373302227 /nfs/dbraw/zinc/30/22/27/373302227.db2.gz IOSZHQATWLYBJD-DUVNUKRYSA-N 0 3 288.391 2.095 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1C ZINC000368963200 373302236 /nfs/dbraw/zinc/30/22/36/373302236.db2.gz IOSZHQATWLYBJD-DUVNUKRYSA-N 0 3 288.391 2.095 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1C ZINC000273444058 373757293 /nfs/dbraw/zinc/75/72/93/373757293.db2.gz ZJXMTRKCGDBIJT-STQMWFEESA-N 0 3 297.420 2.094 20 10 CECDHN CN(C)c1ccc(CN2CCC(C)(CO)CC2)cc1F ZINC000273919097 373776460 /nfs/dbraw/zinc/77/64/60/373776460.db2.gz ZHFWPJNKABHGCD-UHFFFAOYSA-N 0 3 280.387 2.486 20 10 CECDHN CNC(=O)CCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273557642 373764624 /nfs/dbraw/zinc/76/46/24/373764624.db2.gz HCDOTNIVUMUEPH-LBPRGKRZSA-N 0 3 290.407 2.448 20 10 CECDHN [O-]c1ccccc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371701454 373953312 /nfs/dbraw/zinc/95/33/12/373953312.db2.gz VKFGMCNNIPAJDE-UHFFFAOYSA-N 0 3 269.344 2.012 20 10 CECDHN CCC(CC)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000283081787 375650297 /nfs/dbraw/zinc/65/02/97/375650297.db2.gz RFCXNODZEWCHJO-UHFFFAOYSA-N 0 3 297.395 2.440 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)nn2C)c1 ZINC000284182516 375824509 /nfs/dbraw/zinc/82/45/09/375824509.db2.gz FVYNLAFWPXXCOX-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000284859294 375831247 /nfs/dbraw/zinc/83/12/47/375831247.db2.gz AMYBFSDQSZVBGO-GFCCVEGCSA-N 0 3 297.420 2.237 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1 ZINC000284937768 375832865 /nfs/dbraw/zinc/83/28/65/375832865.db2.gz DSFJZNSTOOPKGG-LBPRGKRZSA-N 0 3 265.353 2.423 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000285366512 375838391 /nfs/dbraw/zinc/83/83/91/375838391.db2.gz VUMKVGLTAOAZOP-VXGBXAGGSA-N 0 3 282.359 2.134 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000285655822 375842155 /nfs/dbraw/zinc/84/21/55/375842155.db2.gz YRKHMGYFWPYWDV-NEPJUHHUSA-N 0 3 265.353 2.163 20 10 CECDHN COc1cc([O-])c(C[NH2+]CCC2(OC)CCC2)cc1OC ZINC000293703990 377711103 /nfs/dbraw/zinc/71/11/03/377711103.db2.gz RVGJIMZGQQWCIZ-UHFFFAOYSA-N 0 3 295.379 2.458 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000294741635 378017855 /nfs/dbraw/zinc/01/78/55/378017855.db2.gz HFDYQMGMDILXQL-LBPRGKRZSA-N 0 3 251.326 2.058 20 10 CECDHN Cc1nccnc1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000295071809 378038404 /nfs/dbraw/zinc/03/84/04/378038404.db2.gz SCXTYYRKFJCDRG-NSHDSACASA-N 0 3 257.337 2.384 20 10 CECDHN C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295576031 378219590 /nfs/dbraw/zinc/21/95/90/378219590.db2.gz BAHLUNSBESVMCM-ZDUSSCGKSA-N 0 3 260.381 2.308 20 10 CECDHN C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295576031 378219592 /nfs/dbraw/zinc/21/95/92/378219592.db2.gz BAHLUNSBESVMCM-ZDUSSCGKSA-N 0 3 260.381 2.308 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CC=CCC1)CC2 ZINC000296616741 378593653 /nfs/dbraw/zinc/59/36/53/378593653.db2.gz YXIAQQOMAGNHKO-AWEZNQCLSA-N 0 3 258.365 2.231 20 10 CECDHN CCC(C)(C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298719934 378812476 /nfs/dbraw/zinc/81/24/76/378812476.db2.gz UOOPDOSZRGJXMW-UHFFFAOYSA-N 0 3 291.439 2.489 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2ccc(OC)nc2)c1 ZINC000529660844 380182104 /nfs/dbraw/zinc/18/21/04/380182104.db2.gz GFEXFZARFNILFS-UHFFFAOYSA-N 0 3 288.347 2.137 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]C[C@@H]2C(C)C)c1[O-] ZINC000530229816 380198344 /nfs/dbraw/zinc/19/83/44/380198344.db2.gz MNHMRSBBNFOHGS-OAHLLOKOSA-N 0 3 294.370 2.164 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000228670950 394476446 /nfs/dbraw/zinc/47/64/46/394476446.db2.gz SPPVDJZQYBLEKM-SNVBAGLBSA-N 0 3 295.770 2.429 20 10 CECDHN CCOc1cccc(C[NH2+][C@]2(C)CCOC2)c1[O-] ZINC000120180249 394776132 /nfs/dbraw/zinc/77/61/32/394776132.db2.gz OWFTZGWKDGQWPP-CQSZACIVSA-N 0 3 251.326 2.060 20 10 CECDHN CC[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000121107942 394792031 /nfs/dbraw/zinc/79/20/31/394792031.db2.gz YESDNKZCLXRIET-CYBMUJFWSA-N 0 3 297.420 2.258 20 10 CECDHN CCOc1cccc(CN2CCCO[C@H](C)C2)c1O ZINC000134158983 394956372 /nfs/dbraw/zinc/95/63/72/394956372.db2.gz FLNNXAHQNAQPFG-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000134158983 394956377 /nfs/dbraw/zinc/95/63/77/394956377.db2.gz FLNNXAHQNAQPFG-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000134158983 394956381 /nfs/dbraw/zinc/95/63/81/394956381.db2.gz FLNNXAHQNAQPFG-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN2CCCC[C@H]2CO1)c1ccccc1[O-] ZINC000372933066 395050387 /nfs/dbraw/zinc/05/03/87/395050387.db2.gz YILLLNAQPXPUKV-KKUMJFAQSA-N 0 3 290.407 2.296 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2(C)CCOCC2)c1 ZINC000164770691 395086221 /nfs/dbraw/zinc/08/62/21/395086221.db2.gz SLQPQBNKSBTVHI-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1C ZINC000293708280 395247612 /nfs/dbraw/zinc/24/76/12/395247612.db2.gz MPGWQZJPEGYWMK-MJBXVCDLSA-N 0 3 279.380 2.200 20 10 CECDHN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565706 395195325 /nfs/dbraw/zinc/19/53/25/395195325.db2.gz KWCZNHKCVNFCJA-CQSZACIVSA-N 0 3 290.407 2.376 20 10 CECDHN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565706 395195330 /nfs/dbraw/zinc/19/53/30/395195330.db2.gz KWCZNHKCVNFCJA-CQSZACIVSA-N 0 3 290.407 2.376 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@](C)(CCO)COC)c([O-])c1 ZINC000175853428 400288754 /nfs/dbraw/zinc/28/87/54/400288754.db2.gz RPQRCTKOXDJYHD-INIZCTEOSA-N 0 3 297.395 2.058 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(CCO)CCCC2)c1 ZINC000271767564 286338454 /nfs/dbraw/zinc/33/84/54/286338454.db2.gz ASLBLCMKWWSVIN-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN COCCOCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020192902 171058699 /nfs/dbraw/zinc/05/86/99/171058699.db2.gz YQILXXQBMSTHLI-CYBMUJFWSA-N 0 3 267.369 2.404 20 10 CECDHN CCCC[N@H+](CCO)Cc1cccc(OCC)c1[O-] ZINC000159093200 261177668 /nfs/dbraw/zinc/17/76/68/261177668.db2.gz NOKRCXTYLFPSFH-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCC[N@@H+](CCO)Cc1cccc(OCC)c1[O-] ZINC000159093200 261177670 /nfs/dbraw/zinc/17/76/70/261177670.db2.gz NOKRCXTYLFPSFH-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185787695 262070356 /nfs/dbraw/zinc/07/03/56/262070356.db2.gz OUNCJKXXZXSYOU-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186030541 262076451 /nfs/dbraw/zinc/07/64/51/262076451.db2.gz IYGPEZYADKMXMO-VHSXEESVSA-N 0 3 289.372 2.005 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186030526 262076511 /nfs/dbraw/zinc/07/65/11/262076511.db2.gz IYGPEZYADKMXMO-NXEZZACHSA-N 0 3 289.372 2.005 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cc(OC)ccc2[O-])CCCO1 ZINC000281221159 263067249 /nfs/dbraw/zinc/06/72/49/263067249.db2.gz KKULIEDRAOIBHL-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])CCCO1 ZINC000281221159 263067250 /nfs/dbraw/zinc/06/72/50/263067250.db2.gz KKULIEDRAOIBHL-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000368041620 267141348 /nfs/dbraw/zinc/14/13/48/267141348.db2.gz UQHMMJKPLBSSGX-NTZNESFSSA-N 0 3 253.317 2.248 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](F)C[C@H]1CO ZINC000368041620 267141350 /nfs/dbraw/zinc/14/13/50/267141350.db2.gz UQHMMJKPLBSSGX-NTZNESFSSA-N 0 3 253.317 2.248 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1[O-] ZINC000368133456 267146629 /nfs/dbraw/zinc/14/66/29/267146629.db2.gz URJYARALXSUHDQ-WMLDXEAASA-N 0 3 285.343 2.285 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(C1)CCCOC3)OCO2 ZINC000368497152 267177711 /nfs/dbraw/zinc/17/77/11/267177711.db2.gz WAEBMVSZOYLFNU-INIZCTEOSA-N 0 3 291.347 2.123 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCCOC3)OCO2 ZINC000368497152 267177714 /nfs/dbraw/zinc/17/77/14/267177714.db2.gz WAEBMVSZOYLFNU-INIZCTEOSA-N 0 3 291.347 2.123 20 10 CECDHN C[C@@H](Cn1cccn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296686123 278301293 /nfs/dbraw/zinc/30/12/93/278301293.db2.gz GWVUHQMARXSWQO-WCQYABFASA-N 0 3 257.337 2.254 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296666488 279271777 /nfs/dbraw/zinc/27/17/77/279271777.db2.gz FPJAABBICDOWBD-MYFIVHGGSA-N 0 3 267.394 2.126 20 10 CECDHN Cc1cc(CN[C@@H](C(N)=O)C(C)(C)C)ccc1N(C)C ZINC000292701417 280492403 /nfs/dbraw/zinc/49/24/03/280492403.db2.gz DHVIRRBEHCXECM-AWEZNQCLSA-N 0 3 277.412 2.051 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372635488 281216992 /nfs/dbraw/zinc/21/69/92/281216992.db2.gz BXXHANDARQYCEI-QGZVFWFLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372635488 281216995 /nfs/dbraw/zinc/21/69/95/281216995.db2.gz BXXHANDARQYCEI-QGZVFWFLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375780 327839197 /nfs/dbraw/zinc/83/91/97/327839197.db2.gz XOCRHWQWKABQPJ-RBSFLKMASA-N 0 3 292.423 2.460 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375795 327839271 /nfs/dbraw/zinc/83/92/71/327839271.db2.gz XOCRHWQWKABQPJ-QLFBSQMISA-N 0 3 292.423 2.460 20 10 CECDHN COc1ccc(O)c(CN[C@H]2CCCc3c[nH]nc32)c1 ZINC000271805912 328197397 /nfs/dbraw/zinc/19/73/97/328197397.db2.gz JXBJUYZSJRVZFY-ZDUSSCGKSA-N 0 3 273.336 2.291 20 10 CECDHN Cc1cccc(CN2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291305049 328262886 /nfs/dbraw/zinc/26/28/86/328262886.db2.gz QZSNOUMAVOTZNC-GFCCVEGCSA-N 0 3 271.307 2.150 20 10 CECDHN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1ccccc1[O-] ZINC000037166807 326918222 /nfs/dbraw/zinc/91/82/22/326918222.db2.gz XOYOXDGWMXHJJT-AWEZNQCLSA-N 0 3 250.386 2.458 20 10 CECDHN C[S@@](=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296240968 327091322 /nfs/dbraw/zinc/09/13/22/327091322.db2.gz AUUXTQBWMRWVEP-HXPMCKFVSA-N 0 3 279.405 2.270 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000295121306 327607253 /nfs/dbraw/zinc/60/72/53/327607253.db2.gz WORQCSYONQONII-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377888020 329033481 /nfs/dbraw/zinc/03/34/81/329033481.db2.gz HWJAAMVXHBEXMQ-GFCCVEGCSA-N 0 3 287.363 2.124 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377888020 329033483 /nfs/dbraw/zinc/03/34/83/329033483.db2.gz HWJAAMVXHBEXMQ-GFCCVEGCSA-N 0 3 287.363 2.124 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1 ZINC000378333154 329046460 /nfs/dbraw/zinc/04/64/60/329046460.db2.gz ITGCIBZNMCSMNY-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000226618156 329262272 /nfs/dbraw/zinc/26/22/72/329262272.db2.gz VCKXSESNABGUED-TZMCWYRMSA-N 0 3 251.301 2.188 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000186115115 329338058 /nfs/dbraw/zinc/33/80/58/329338058.db2.gz ZVOMIEFVOHYSTR-JQWIXIFHSA-N 0 3 287.363 2.332 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527767997 330281800 /nfs/dbraw/zinc/28/18/00/330281800.db2.gz ZNKQTUQTVFRJDM-BLLLJJGKSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527805199 330284377 /nfs/dbraw/zinc/28/43/77/330284377.db2.gz URIIXPUBTOFKPQ-DRNSDYETSA-N 0 3 279.336 2.022 20 10 CECDHN CCn1nncc1CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527918867 330295307 /nfs/dbraw/zinc/29/53/07/330295307.db2.gz FJWAXRJOBBWWJW-BXKDBHETSA-N 0 3 290.342 2.481 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H](O)c1ccsc1)OCO2 ZINC000152546075 330634198 /nfs/dbraw/zinc/63/41/98/330634198.db2.gz HAZMHWCNIUNTQQ-GFCCVEGCSA-N 0 3 293.344 2.006 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000228089591 333294792 /nfs/dbraw/zinc/29/47/92/333294792.db2.gz LYKMPNWIGYGXEZ-GXTWGEPZSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1[O-] ZINC000135734339 334137423 /nfs/dbraw/zinc/13/74/23/334137423.db2.gz ZKSMMQNWCGWBFX-CYBMUJFWSA-N 0 3 264.369 2.348 20 10 CECDHN CCC[N@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000263925425 521628984 /nfs/dbraw/zinc/62/89/84/521628984.db2.gz YHKGGICTIYWZSX-UHFFFAOYSA-N 0 3 264.369 2.083 20 10 CECDHN CCC[N@@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000263925425 521628986 /nfs/dbraw/zinc/62/89/86/521628986.db2.gz YHKGGICTIYWZSX-UHFFFAOYSA-N 0 3 264.369 2.083 20 10 CECDHN CC(=O)NCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284160611 519660140 /nfs/dbraw/zinc/66/01/40/519660140.db2.gz PVIDIRKHYSSQQX-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN CCCOc1ccc(C[NH2+]CCc2cn[nH]c2)c([O-])c1 ZINC000289981486 520365842 /nfs/dbraw/zinc/36/58/42/520365842.db2.gz WVNLLYBONGOMJD-UHFFFAOYSA-N 0 3 275.352 2.236 20 10 CECDHN CCOc1cccc(C[NH2+]CCCn2ccnc2C)c1[O-] ZINC000263711891 521362491 /nfs/dbraw/zinc/36/24/91/521362491.db2.gz UQEIMAMINRROKQ-UHFFFAOYSA-N 0 3 289.379 2.476 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)c1[O-] ZINC000274965496 521374018 /nfs/dbraw/zinc/37/40/18/521374018.db2.gz VFQNHEVUTMQPNM-XNRPHZJLSA-N 0 3 295.379 2.073 20 10 CECDHN CCNC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)C(C)C ZINC000292848789 521744451 /nfs/dbraw/zinc/74/44/51/521744451.db2.gz BQNMGPPSEFQMTP-HNNXBMFYSA-N 0 3 295.402 2.142 20 10 CECDHN COC[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000278757340 522749948 /nfs/dbraw/zinc/74/99/48/522749948.db2.gz WZOCXDAUIKYBJL-HOTGVXAUSA-N 0 3 278.396 2.036 20 10 CECDHN CCn1nccc1CC[N@H+](C)Cc1ccccc1[O-] ZINC000276320521 523711776 /nfs/dbraw/zinc/71/17/76/523711776.db2.gz OPKKFDRZOPLQOV-UHFFFAOYSA-N 0 3 259.353 2.283 20 10 CECDHN CCn1nccc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000276320521 523711779 /nfs/dbraw/zinc/71/17/79/523711779.db2.gz OPKKFDRZOPLQOV-UHFFFAOYSA-N 0 3 259.353 2.283 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794276 523835409 /nfs/dbraw/zinc/83/54/09/523835409.db2.gz ASZNHWVCSUBYRE-ZBEGNZNMSA-N 0 3 293.363 2.347 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794276 523835415 /nfs/dbraw/zinc/83/54/15/523835415.db2.gz ASZNHWVCSUBYRE-ZBEGNZNMSA-N 0 3 293.363 2.347 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617746 523968748 /nfs/dbraw/zinc/96/87/48/523968748.db2.gz AAVGUNQUIHHKLH-QWRGUYRKSA-N 0 3 282.359 2.487 20 10 CECDHN Cc1cccc(C[N@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000279398018 524374828 /nfs/dbraw/zinc/37/48/28/524374828.db2.gz KSSXQTXZPXQALI-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1cccc(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1[O-] ZINC000279398018 524374834 /nfs/dbraw/zinc/37/48/34/524374834.db2.gz KSSXQTXZPXQALI-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1cccc(CN(C)CCN2CCOC(C)(C)C2)c1O ZINC000279398018 524374843 /nfs/dbraw/zinc/37/48/43/524374843.db2.gz KSSXQTXZPXQALI-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290414345 524379987 /nfs/dbraw/zinc/37/99/87/524379987.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290414345 524379995 /nfs/dbraw/zinc/37/99/95/524379995.db2.gz KFYQRUKATXVDGR-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1 ZINC000290986793 524756256 /nfs/dbraw/zinc/75/62/56/524756256.db2.gz UQSJAAGHSHVJSR-OAHLLOKOSA-N 0 3 279.380 2.288 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000040774038 524765541 /nfs/dbraw/zinc/76/55/41/524765541.db2.gz KNIBODOAPATVDJ-NEPJUHHUSA-N 0 3 267.369 2.458 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044709 524768440 /nfs/dbraw/zinc/76/84/40/524768440.db2.gz WMACOPKNVDSJBC-QWRGUYRKSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280200217 524869590 /nfs/dbraw/zinc/86/95/90/524869590.db2.gz BGRWLRKZCUFOLT-AAEUAGOBSA-N 0 3 299.798 2.089 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364722 525338178 /nfs/dbraw/zinc/33/81/78/525338178.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364722 525338183 /nfs/dbraw/zinc/33/81/83/525338183.db2.gz HBPSFSKQBPYTCX-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000042879453 525433244 /nfs/dbraw/zinc/43/32/44/525433244.db2.gz LNICXYFYIJHQAP-JTQLQIEISA-N 0 3 272.304 2.367 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1C ZINC000278866547 525925809 /nfs/dbraw/zinc/92/58/09/525925809.db2.gz RODYTVFOEVUZMX-ZENOOKHLSA-N 0 3 279.380 2.200 20 10 CECDHN COc1cccc(C[NH2+]CCc2ccc(O)cc2)c1[O-] ZINC000040735288 526015775 /nfs/dbraw/zinc/01/57/75/526015775.db2.gz SFJSNUYLQIZYOH-UHFFFAOYSA-N 0 3 273.332 2.439 20 10 CECDHN COc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000279851474 526031428 /nfs/dbraw/zinc/03/14/28/526031428.db2.gz RUDLQMRDEUGFOC-CYBMUJFWSA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCCN1C1CC1 ZINC000277475162 526374076 /nfs/dbraw/zinc/37/40/76/526374076.db2.gz KWXZLNHZESGJGL-HNNXBMFYSA-N 0 3 260.381 2.499 20 10 CECDHN COCC(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000733327026 574664374 /nfs/dbraw/zinc/66/43/74/574664374.db2.gz LCXHDFXZMIOYRI-UHFFFAOYSA-N 0 3 254.349 2.406 20 10 CECDHN COC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739874805 574935279 /nfs/dbraw/zinc/93/52/79/574935279.db2.gz XLHLOICULGZOPY-GFCCVEGCSA-N 0 3 261.365 2.349 20 10 CECDHN COC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739874805 574935281 /nfs/dbraw/zinc/93/52/81/574935281.db2.gz XLHLOICULGZOPY-GFCCVEGCSA-N 0 3 261.365 2.349 20 10 CECDHN Cc1cc([O-])c(C[NH2+]C2CCC(C(N)=O)CC2)cc1C ZINC000742371013 575017354 /nfs/dbraw/zinc/01/73/54/575017354.db2.gz FPVQPQNFGSLOQF-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000743499639 575105307 /nfs/dbraw/zinc/10/53/07/575105307.db2.gz LKMNZKXEPWSJTC-DGCLKSJQSA-N 0 3 267.369 2.288 20 10 CECDHN CCCN1CCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000749564405 575225681 /nfs/dbraw/zinc/22/56/81/575225681.db2.gz VHDVGCOAUUOYTQ-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])[S@](C)=O ZINC000252811511 622587756 /nfs/dbraw/zinc/58/77/56/622587756.db2.gz OPWIJMGPPRFUTA-JJQCHNSYSA-N 0 3 273.373 2.339 20 10 CECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000933287313 623592028 /nfs/dbraw/zinc/59/20/28/623592028.db2.gz XCEFUBPOPATHCD-HNNXBMFYSA-N 0 3 289.423 2.147 20 10 CECDHN COc1ccc(CN2CCSC[C@@H]2C)c(O)c1OC ZINC000892046714 624274012 /nfs/dbraw/zinc/27/40/12/624274012.db2.gz WRLAZUQCZBXITI-JTQLQIEISA-N 0 3 283.393 2.347 20 10 CECDHN Cn1cc(C[NH2+]Cc2ccccc2[O-])c(C2CC2)n1 ZINC000892791840 627776202 /nfs/dbraw/zinc/77/62/02/627776202.db2.gz PJXAWLNIMKLBEV-UHFFFAOYSA-N 0 3 257.337 2.293 20 10 CECDHN C[C@@H]([NH2+]CC1(N)CC1)c1ccc(Br)cc1[O-] ZINC000902408152 634623496 /nfs/dbraw/zinc/62/34/96/634623496.db2.gz XHBJWGDDKMZZRA-MRVPVSSYSA-N 0 3 285.185 2.297 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC[C@](C)(O)C(F)(F)F ZINC000840936231 628753724 /nfs/dbraw/zinc/75/37/24/628753724.db2.gz HCRUDQHSBVQPFW-ZDUSSCGKSA-N 0 3 290.329 2.464 20 10 CECDHN C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1[O-] ZINC000902469828 634685642 /nfs/dbraw/zinc/68/56/42/634685642.db2.gz RKVCOPRSLPMYJL-LOHPEHISSA-N 0 3 250.317 2.075 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C)cc1[O-] ZINC000794800020 629323367 /nfs/dbraw/zinc/32/33/67/629323367.db2.gz BFEMEYPHCDPTPZ-UONOGXRCSA-N 0 3 276.380 2.362 20 10 CECDHN CC[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794819663 629327096 /nfs/dbraw/zinc/32/70/96/629327096.db2.gz XBGHBDVXSJFHAL-AAEUAGOBSA-N 0 3 285.409 2.174 20 10 CECDHN CC1=NO[C@H](CNCc2ccc(N(C)C)c(F)c2)C1 ZINC000895308593 630097412 /nfs/dbraw/zinc/09/74/12/630097412.db2.gz NQCUBYBQWOTUCE-LBPRGKRZSA-N 0 3 265.332 2.146 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895845851 630363306 /nfs/dbraw/zinc/36/33/06/630363306.db2.gz PHIQCQUPDHJFNP-LBPRGKRZSA-N 0 3 275.270 2.139 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000895845851 630363312 /nfs/dbraw/zinc/36/33/12/630363312.db2.gz PHIQCQUPDHJFNP-LBPRGKRZSA-N 0 3 275.270 2.139 20 10 CECDHN CO[C@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCSC1 ZINC000896566192 630600048 /nfs/dbraw/zinc/60/00/48/630600048.db2.gz AKLPGNNLQYJQHM-AWEZNQCLSA-N 0 3 267.394 2.312 20 10 CECDHN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000863484808 631560766 /nfs/dbraw/zinc/56/07/66/631560766.db2.gz NAFICXXQGSXQIV-ONGXEEELSA-N 0 3 299.212 2.385 20 10 CECDHN C[C@H]1CC[C@H](NCc2cccc(Br)c2[O-])C[NH2+]1 ZINC000863484808 631560772 /nfs/dbraw/zinc/56/07/72/631560772.db2.gz NAFICXXQGSXQIV-ONGXEEELSA-N 0 3 299.212 2.385 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([O-])c1 ZINC000897823250 631932548 /nfs/dbraw/zinc/93/25/48/631932548.db2.gz VQBZELUSWCBHNF-WALBABNVSA-N 0 3 275.348 2.056 20 10 CECDHN COc1ccc(O)c(CNCc2cnc([C@@H](C)O)s2)c1 ZINC000809620773 632112713 /nfs/dbraw/zinc/11/27/13/632112713.db2.gz VIGCKKMOLNTYRK-SECBINFHSA-N 0 3 294.376 2.200 20 10 CECDHN C[N@@H+]1CCCC[C@H]1CCOC(=O)c1cc([O-])cs1 ZINC000840228776 632358642 /nfs/dbraw/zinc/35/86/42/632358642.db2.gz SQXUFQQOYPXTRJ-JTQLQIEISA-N 0 3 269.366 2.485 20 10 CECDHN C[N@H+]1CCCC[C@H]1CCOC(=O)c1cc([O-])cs1 ZINC000840228776 632358646 /nfs/dbraw/zinc/35/86/46/632358646.db2.gz SQXUFQQOYPXTRJ-JTQLQIEISA-N 0 3 269.366 2.485 20 10 CECDHN C[C@H]1CC[NH2+]C[C@H]1NCc1cccc(Br)c1[O-] ZINC000841059188 632362456 /nfs/dbraw/zinc/36/24/56/632362456.db2.gz MPMXXDGPMDAIRH-JOYOIKCWSA-N 0 3 299.212 2.242 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000811518133 632394783 /nfs/dbraw/zinc/39/47/83/632394783.db2.gz HNPHALSOLYVZGV-CYBMUJFWSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000811518133 632394787 /nfs/dbraw/zinc/39/47/87/632394787.db2.gz HNPHALSOLYVZGV-CYBMUJFWSA-N 0 3 287.363 2.353 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCC1(F)F ZINC000811780535 632444420 /nfs/dbraw/zinc/44/44/20/632444420.db2.gz OKYWLVRPEXVOBP-TVQRCGJNSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCC1(F)F ZINC000811780535 632444421 /nfs/dbraw/zinc/44/44/21/632444421.db2.gz OKYWLVRPEXVOBP-TVQRCGJNSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCC1(F)F ZINC000811780535 632444423 /nfs/dbraw/zinc/44/44/23/632444423.db2.gz OKYWLVRPEXVOBP-TVQRCGJNSA-N 0 3 299.317 2.295 20 10 CECDHN CC[C@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000927080427 632449054 /nfs/dbraw/zinc/44/90/54/632449054.db2.gz KVJZACDLWWFPJK-JSGCOSHPSA-N 0 3 265.353 2.238 20 10 CECDHN Cc1cc(CN(C)[C@@H]2CCCCNC2=O)ccc1N(C)C ZINC000815037578 632951663 /nfs/dbraw/zinc/95/16/63/632951663.db2.gz OZUWSGKICJILKN-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCCc2cnn(C)n2)c1[O-] ZINC000816638395 633454401 /nfs/dbraw/zinc/45/44/01/633454401.db2.gz KOFLDQIXNBKGIC-UHFFFAOYSA-N 0 3 294.786 2.205 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942395 633791395 /nfs/dbraw/zinc/79/13/95/633791395.db2.gz YFRLBPLKIPSKOJ-WCQYABFASA-N 0 3 252.333 2.324 20 10 CECDHN C[C@H](NCCc1ccc(N)cc1)c1cc2n(n1)CCC2 ZINC000817956738 633799670 /nfs/dbraw/zinc/79/96/70/633799670.db2.gz BNRAOWLIBHFUPW-LBPRGKRZSA-N 0 3 270.380 2.305 20 10 CECDHN C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)ccc1[O-] ZINC000817959428 633800550 /nfs/dbraw/zinc/80/05/50/633800550.db2.gz FWPAWXKWAIFRKX-QPUJVOFHSA-N 0 3 254.761 2.434 20 10 CECDHN CCCC[C@H](CN)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817962067 633804597 /nfs/dbraw/zinc/80/45/97/633804597.db2.gz HPPMSTZLJVTGLU-DGCLKSJQSA-N 0 3 294.395 2.347 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCOC13CCOCC3)CC2 ZINC000903391149 635087994 /nfs/dbraw/zinc/08/79/94/635087994.db2.gz WFTOZEYGIMKFIT-ZFWWWQNUSA-N 0 3 289.375 2.307 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)CC2 ZINC000903441166 635120604 /nfs/dbraw/zinc/12/06/04/635120604.db2.gz YJMAWVJKXLDFIG-BFHYXJOUSA-N 0 3 259.349 2.394 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000824006404 635321093 /nfs/dbraw/zinc/32/10/93/635321093.db2.gz BKSGQLROWWKDSK-HAQNSBGRSA-N 0 3 265.353 2.042 20 10 CECDHN CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824708873 635482012 /nfs/dbraw/zinc/48/20/12/635482012.db2.gz KZFHZAWRZCCVIX-FZMZJTMJSA-N 0 3 299.798 2.495 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1ncccc1C ZINC000824794816 635499943 /nfs/dbraw/zinc/49/99/43/635499943.db2.gz JEIWBRIXHPMCME-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN Oc1ccccc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805517 635500810 /nfs/dbraw/zinc/50/08/10/635500810.db2.gz LDQSJKLAFZGPQD-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000825061177 635555296 /nfs/dbraw/zinc/55/52/96/635555296.db2.gz BFSLHKIXSZELBA-SWLSCSKDSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC[C@H]1CCOC1 ZINC000825134090 635576394 /nfs/dbraw/zinc/57/63/94/635576394.db2.gz UYQIKOVARYMCQZ-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN CC[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000905088679 635802154 /nfs/dbraw/zinc/80/21/54/635802154.db2.gz KDBGMAPZSRDIKB-ZDUSSCGKSA-N 0 3 289.297 2.415 20 10 CECDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000826872869 635867613 /nfs/dbraw/zinc/86/76/13/635867613.db2.gz ZCAURXKRITUXLR-AWEZNQCLSA-N 0 3 283.343 2.063 20 10 CECDHN CO[C@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000826952050 636170149 /nfs/dbraw/zinc/17/01/49/636170149.db2.gz FNNRKXFUQRKJNP-OAHLLOKOSA-N 0 3 299.798 2.327 20 10 CECDHN CO[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000826952050 636170155 /nfs/dbraw/zinc/17/01/55/636170155.db2.gz FNNRKXFUQRKJNP-OAHLLOKOSA-N 0 3 299.798 2.327 20 10 CECDHN CCOc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[O-] ZINC000827152350 636239698 /nfs/dbraw/zinc/23/96/98/636239698.db2.gz SIYGDOSHOZQFSW-RYUDHWBXSA-N 0 3 279.380 2.240 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000827284302 636280303 /nfs/dbraw/zinc/28/03/03/636280303.db2.gz UPENTPDTLGREIL-CZUORRHYSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000827284302 636280308 /nfs/dbraw/zinc/28/03/08/636280308.db2.gz UPENTPDTLGREIL-CZUORRHYSA-N 0 3 277.364 2.259 20 10 CECDHN CC[NH+](CC)CCCCNC(=O)c1cc([O-])cs1 ZINC000827515378 636341700 /nfs/dbraw/zinc/34/17/00/636341700.db2.gz DGDKIWZCOSQFDL-UHFFFAOYSA-N 0 3 270.398 2.306 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827585805 636359801 /nfs/dbraw/zinc/35/98/01/636359801.db2.gz QOEWUKZOLWUIHT-SECBINFHSA-N 0 3 255.745 2.357 20 10 CECDHN Cc1ccc(O)c(CN2CCc3c(cccc3C(N)=O)C2)c1 ZINC000827837789 636439912 /nfs/dbraw/zinc/43/99/12/636439912.db2.gz FLUPWDILPKCUAP-UHFFFAOYSA-N 0 3 296.370 2.358 20 10 CECDHN C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576306 637104037 /nfs/dbraw/zinc/10/40/37/637104037.db2.gz FNFRTROAAUSVRR-JQWIXIFHSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576306 637104038 /nfs/dbraw/zinc/10/40/38/637104038.db2.gz FNFRTROAAUSVRR-JQWIXIFHSA-N 0 3 280.393 2.010 20 10 CECDHN CN1CC[C@H]2[C@@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576306 637104043 /nfs/dbraw/zinc/10/40/43/637104043.db2.gz FNFRTROAAUSVRR-JQWIXIFHSA-N 0 3 280.393 2.010 20 10 CECDHN Cc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c([O-])c1 ZINC000876562084 650329972 /nfs/dbraw/zinc/32/99/72/650329972.db2.gz SAODVQYDSHQXOU-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN C[C@H]1CCN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834611530 637890081 /nfs/dbraw/zinc/89/00/81/637890081.db2.gz MJHJMRIJJLRFKQ-GXTWGEPZSA-N 0 3 260.381 2.311 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@@]3(CCOC3)C1)CC2 ZINC000834697449 637922074 /nfs/dbraw/zinc/92/20/74/637922074.db2.gz LHVOACUKANUMHX-CPUCHLNUSA-N 0 3 289.375 2.307 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)c1cccnc1)CC2 ZINC000834803013 637955957 /nfs/dbraw/zinc/95/59/57/637955957.db2.gz IGBHMXAPDDNEBC-HUUCEWRRSA-N 0 3 284.359 2.140 20 10 CECDHN COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834844651 637967602 /nfs/dbraw/zinc/96/76/02/637967602.db2.gz SRXJNRPWVNSVDN-WFASDCNBSA-N 0 3 267.369 2.139 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834880469 637976886 /nfs/dbraw/zinc/97/68/86/637976886.db2.gz DGOAWIJTCQFXQU-WOSRLPQWSA-N 0 3 279.380 2.403 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834902841 637982950 /nfs/dbraw/zinc/98/29/50/637982950.db2.gz DJXLJJXOXZSQDA-PQFRYHKHSA-N 0 3 295.354 2.473 20 10 CECDHN COCCOC[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876775122 650428402 /nfs/dbraw/zinc/42/84/02/650428402.db2.gz OUGYIXNWJSTLBB-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876775122 650428403 /nfs/dbraw/zinc/42/84/03/650428403.db2.gz OUGYIXNWJSTLBB-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000226612787 639556200 /nfs/dbraw/zinc/55/62/00/639556200.db2.gz WRGSLHMGTXPBLZ-GXFFZTMASA-N 0 3 252.333 2.104 20 10 CECDHN CC(C)(C)OC(=O)N1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226613417 639556226 /nfs/dbraw/zinc/55/62/26/639556226.db2.gz NPGUUZCHDPKFOR-UHFFFAOYSA-N 0 3 296.342 2.240 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC[C@H](O)C(F)(F)F ZINC000840930634 639589970 /nfs/dbraw/zinc/58/99/70/639589970.db2.gz NGGLNOKXZLHILX-LBPRGKRZSA-N 0 3 276.302 2.074 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)C[S@@](C)=O ZINC000840940079 639594183 /nfs/dbraw/zinc/59/41/83/639594183.db2.gz VEMLYRNYDOYCSN-BFUOFWGJSA-N 0 3 282.453 2.260 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCCNC2)c1 ZINC000841041624 639629626 /nfs/dbraw/zinc/62/96/26/639629626.db2.gz BPBNJHVFCRFSOV-LLVKDONJSA-N 0 3 299.212 2.305 20 10 CECDHN Cc1cc(Br)c([O-])c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000841041624 639629634 /nfs/dbraw/zinc/62/96/34/639629634.db2.gz BPBNJHVFCRFSOV-LLVKDONJSA-N 0 3 299.212 2.305 20 10 CECDHN C[C@H]1CC[NH2+]C[C@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000841059570 639636251 /nfs/dbraw/zinc/63/62/51/639636251.db2.gz UNOHLODDPGBTLI-QPUJVOFHSA-N 0 3 272.751 2.272 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@H]2CNCCC2(F)F)cc1 ZINC000841079606 639648456 /nfs/dbraw/zinc/64/84/56/639648456.db2.gz MHGOOXPNEHYWKK-BWPKMQGJSA-N 0 3 295.377 2.353 20 10 CECDHN CC1(C)[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[O-] ZINC000841085655 639652073 /nfs/dbraw/zinc/65/20/73/639652073.db2.gz JHRAAZWPUDGIGW-GFCCVEGCSA-N 0 3 254.761 2.276 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H]2CCCCNC2)c1[O-] ZINC000841091130 639653829 /nfs/dbraw/zinc/65/38/29/639653829.db2.gz URVDAHRREGEGKA-LLVKDONJSA-N 0 3 299.758 2.186 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000877072034 650558863 /nfs/dbraw/zinc/55/88/63/650558863.db2.gz GKUNWBPIAGHVEA-OAHLLOKOSA-N 0 3 261.321 2.291 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@H]2C[NH3+])c1[O-] ZINC000843353401 640400455 /nfs/dbraw/zinc/40/04/55/640400455.db2.gz HIPLHNNOIJZURT-ZUZCIYMTSA-N 0 3 294.370 2.293 20 10 CECDHN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000843427332 640426810 /nfs/dbraw/zinc/42/68/10/640426810.db2.gz LIZNHIJEWXSQEK-GWCFXTLKSA-N 0 3 255.333 2.418 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313057 640673121 /nfs/dbraw/zinc/67/31/21/640673121.db2.gz QKKDUXIMILIBRR-ZYHUDNBSSA-N 0 3 276.336 2.026 20 10 CECDHN COc1ccc(N(C)CCN(C)CCC(=O)C2CC2)cc1 ZINC000844400652 640708111 /nfs/dbraw/zinc/70/81/11/640708111.db2.gz FIZXHELMHWCHBO-UHFFFAOYSA-N 0 3 290.407 2.432 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846108718 641184044 /nfs/dbraw/zinc/18/40/44/641184044.db2.gz QTYGKMRMFNQUKM-ZBFHGGJFSA-N 0 3 279.380 2.365 20 10 CECDHN CC[C@@H]([NH2+][C@H](CO)CCF)c1ccc(C)cc1[O-] ZINC000846209381 641222907 /nfs/dbraw/zinc/22/29/07/641222907.db2.gz QSKNJFYUWJSZHP-WCQYABFASA-N 0 3 255.333 2.462 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183527076 641761911 /nfs/dbraw/zinc/76/19/11/641761911.db2.gz JJOAUJUPCYVZDI-QWRGUYRKSA-N 0 3 255.383 2.157 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877491483 650748143 /nfs/dbraw/zinc/74/81/43/650748143.db2.gz ULVAICKSQPQEBW-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](C)CN1CCCCC1 ZINC000850028703 642546787 /nfs/dbraw/zinc/54/67/87/642546787.db2.gz QSLUDCXOCYYEMJ-CYBMUJFWSA-N 0 3 278.396 2.365 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877550153 650781936 /nfs/dbraw/zinc/78/19/36/650781936.db2.gz UJVBXESKBLKNAP-ZDUSSCGKSA-N 0 3 278.396 2.343 20 10 CECDHN CCOc1ccc(C[NH2+]CC2CCC(O)CC2)c([O-])c1 ZINC000850395243 642698532 /nfs/dbraw/zinc/69/85/32/642698532.db2.gz PEONGJHTNAXFJJ-UHFFFAOYSA-N 0 3 279.380 2.432 20 10 CECDHN COc1ccc(O)c(CN[C@@H]2CCCn3nccc32)c1 ZINC000850442093 642714802 /nfs/dbraw/zinc/71/48/02/642714802.db2.gz ANVNDFKRRQXADR-CYBMUJFWSA-N 0 3 273.336 2.222 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000850485099 642728855 /nfs/dbraw/zinc/72/88/55/642728855.db2.gz XESFUPZXZCFOKE-JRPNMDOOSA-N 0 3 283.343 2.233 20 10 CECDHN COc1cccc(O)c1CNCc1cc(N(C)C)ccn1 ZINC000922477521 643088747 /nfs/dbraw/zinc/08/87/47/643088747.db2.gz AKZUIFNYDRFXMF-UHFFFAOYSA-N 0 3 287.363 2.152 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000877622718 650818937 /nfs/dbraw/zinc/81/89/37/650818937.db2.gz BLZAJLILMUEGOL-NQCMUKECSA-N 0 3 281.421 2.480 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c([O-])c1 ZINC000877623013 650818998 /nfs/dbraw/zinc/81/89/98/650818998.db2.gz GVLJGIJCHPXWLG-LPMFXHHGSA-N 0 3 281.421 2.480 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@](O)(C3CC3)C2)c([O-])c1 ZINC000877629577 650822186 /nfs/dbraw/zinc/82/21/86/650822186.db2.gz VYYSQCRUTAZZFE-MRXNPFEDSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@](O)(C3CC3)C2)c([O-])c1 ZINC000877629577 650822192 /nfs/dbraw/zinc/82/21/92/650822192.db2.gz VYYSQCRUTAZZFE-MRXNPFEDSA-N 0 3 261.365 2.438 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877652459 650834812 /nfs/dbraw/zinc/83/48/12/650834812.db2.gz VSZQIJVRXGZCFJ-LBPRGKRZSA-N 0 3 261.321 2.052 20 10 CECDHN COC[C@H](C[NH2+]Cc1c([O-])cccc1OC)C(C)C ZINC000922949822 643475398 /nfs/dbraw/zinc/47/53/98/643475398.db2.gz UBZMJSQJSMZTQG-LBPRGKRZSA-N 0 3 267.369 2.409 20 10 CECDHN Cn1cc(CCC[N@H+](C)Cc2ccccc2[O-])cn1 ZINC000111236362 643733572 /nfs/dbraw/zinc/73/35/72/643733572.db2.gz SXSGVZFQCWDOLY-UHFFFAOYSA-N 0 3 259.353 2.190 20 10 CECDHN Cn1cc(CCC[N@@H+](C)Cc2ccccc2[O-])cn1 ZINC000111236362 643733574 /nfs/dbraw/zinc/73/35/74/643733574.db2.gz SXSGVZFQCWDOLY-UHFFFAOYSA-N 0 3 259.353 2.190 20 10 CECDHN COc1ccc(O)c(CN2CC3(C2)CCCOC3)c1 ZINC000839137282 644170939 /nfs/dbraw/zinc/17/09/39/644170939.db2.gz CNPVHVSQYVTPMX-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN FC1CC2(C1)CN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000839140788 644172389 /nfs/dbraw/zinc/17/23/89/644172389.db2.gz VYZLRGWTVYDLBM-UHFFFAOYSA-N 0 3 290.382 2.457 20 10 CECDHN CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000855286722 644292872 /nfs/dbraw/zinc/29/28/72/644292872.db2.gz WJODBGOKNOIVLZ-VIFPVBQESA-N 0 3 268.382 2.056 20 10 CECDHN CC(C)(C)[N@H+]1CC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000855286722 644292874 /nfs/dbraw/zinc/29/28/74/644292874.db2.gz WJODBGOKNOIVLZ-VIFPVBQESA-N 0 3 268.382 2.056 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CN(C)CCO2)c([O-])c1 ZINC000756762279 644690504 /nfs/dbraw/zinc/69/05/04/644690504.db2.gz XEOOAAULNHJHKS-WOSRLPQWSA-N 0 3 278.396 2.070 20 10 CECDHN CCCCCNC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000839540337 644741774 /nfs/dbraw/zinc/74/17/74/644741774.db2.gz SZAFYBNYFDDQDD-GFCCVEGCSA-N 0 3 294.395 2.358 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000857084528 644812976 /nfs/dbraw/zinc/81/29/76/644812976.db2.gz UQAJKLREQJJUKF-UKRRQHHQSA-N 0 3 276.380 2.362 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000758504010 644935476 /nfs/dbraw/zinc/93/54/76/644935476.db2.gz GVBZAWKFURDFKP-ZDUSSCGKSA-N 0 3 287.363 2.161 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000858297403 645110755 /nfs/dbraw/zinc/11/07/55/645110755.db2.gz CWRYSAZZYQPLPV-BBRMVZONSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858545809 645197278 /nfs/dbraw/zinc/19/72/78/645197278.db2.gz VHCGOZYDJTZSCO-SVDPJWKOSA-N 0 3 265.328 2.440 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1[O-] ZINC000858602649 645217755 /nfs/dbraw/zinc/21/77/55/645217755.db2.gz FSCBPVWCGMJUID-QMTHXVAHSA-N 0 3 292.354 2.335 20 10 CECDHN CCCN(CCN(C#N)CC)Cc1ccccc1O ZINC000878151940 651015152 /nfs/dbraw/zinc/01/51/52/651015152.db2.gz SEAYVAVRIHMDDZ-UHFFFAOYSA-N 0 3 261.369 2.407 20 10 CECDHN CCC[N@H+](CCN(C#N)CC)Cc1ccccc1[O-] ZINC000878151940 651015154 /nfs/dbraw/zinc/01/51/54/651015154.db2.gz SEAYVAVRIHMDDZ-UHFFFAOYSA-N 0 3 261.369 2.407 20 10 CECDHN CCC[N@@H+](CCN(C#N)CC)Cc1ccccc1[O-] ZINC000878151940 651015155 /nfs/dbraw/zinc/01/51/55/651015155.db2.gz SEAYVAVRIHMDDZ-UHFFFAOYSA-N 0 3 261.369 2.407 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1 ZINC000859886589 645646939 /nfs/dbraw/zinc/64/69/39/645646939.db2.gz JYNRLMXVBZEOLD-GUXCAODWSA-N 0 3 292.448 2.238 20 10 CECDHN CC(C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440048 646122918 /nfs/dbraw/zinc/12/29/18/646122918.db2.gz CRSAUJDXDYEHGC-OAHLLOKOSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440048 646122920 /nfs/dbraw/zinc/12/29/20/646122920.db2.gz CRSAUJDXDYEHGC-OAHLLOKOSA-N 0 3 277.364 2.438 20 10 CECDHN CC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768447676 646123423 /nfs/dbraw/zinc/12/34/23/646123423.db2.gz AVYWEIHMSMLPJW-AWEZNQCLSA-N 0 3 277.364 2.440 20 10 CECDHN CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768443097 646123519 /nfs/dbraw/zinc/12/35/19/646123519.db2.gz OVGUVATZLFBQCT-OAHLLOKOSA-N 0 3 277.364 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000770279155 646375607 /nfs/dbraw/zinc/37/56/07/646375607.db2.gz FSCQYMXOFAFAMY-IUODEOHRSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000770279155 646375613 /nfs/dbraw/zinc/37/56/13/646375613.db2.gz FSCQYMXOFAFAMY-IUODEOHRSA-N 0 3 295.404 2.107 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000770509518 646400115 /nfs/dbraw/zinc/40/01/15/646400115.db2.gz BYTOOMNYNNCWNA-ZDUSSCGKSA-N 0 3 263.337 2.120 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@H]1C1OCCO1 ZINC000770509518 646400121 /nfs/dbraw/zinc/40/01/21/646400121.db2.gz BYTOOMNYNNCWNA-ZDUSSCGKSA-N 0 3 263.337 2.120 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000774828514 646900186 /nfs/dbraw/zinc/90/01/86/646900186.db2.gz CQLDPMDJIWFPLN-RISCZKNCSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1noc(CCC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000775130014 646925854 /nfs/dbraw/zinc/92/58/54/646925854.db2.gz KKWMRWNUIYWQEG-JTQLQIEISA-N 0 3 261.325 2.367 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000775315706 646938741 /nfs/dbraw/zinc/93/87/41/646938741.db2.gz PELOPESCIIYASX-CQSZACIVSA-N 0 3 287.359 2.094 20 10 CECDHN CC[C@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830167 646997013 /nfs/dbraw/zinc/99/70/13/646997013.db2.gz DXOPCCZSOYDGRT-STQMWFEESA-N 0 3 277.412 2.318 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000779023971 647283320 /nfs/dbraw/zinc/28/33/20/647283320.db2.gz AEVVDJBYAYXUOV-OAHLLOKOSA-N 0 3 277.364 2.162 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000779092553 647286985 /nfs/dbraw/zinc/28/69/85/647286985.db2.gz IQEXAGJHIWXRSQ-GSJFWJNXSA-N 0 3 253.317 2.172 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CCO)c([O-])c1 ZINC000779203092 647297963 /nfs/dbraw/zinc/29/79/63/647297963.db2.gz YHNVPWRHLMENSY-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CCO)c([O-])c1 ZINC000779203092 647297966 /nfs/dbraw/zinc/29/79/66/647297966.db2.gz YHNVPWRHLMENSY-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCC[C@H](CCO)[NH2+]Cc1c([O-])cccc1OC ZINC000865663264 647413612 /nfs/dbraw/zinc/41/36/12/647413612.db2.gz NJFUJTCEWAVXFP-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)CC1(C)OCCO1 ZINC000865675391 647418694 /nfs/dbraw/zinc/41/86/94/647418694.db2.gz ZJFJYIIDJBZCNZ-LBPRGKRZSA-N 0 3 295.379 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c([O-])c1 ZINC000865691398 647425677 /nfs/dbraw/zinc/42/56/77/647425677.db2.gz ANMKPPXYOCGHJK-MKRQOHASSA-N 0 3 289.375 2.304 20 10 CECDHN COC1CCN(CC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000783518534 647723865 /nfs/dbraw/zinc/72/38/65/647723865.db2.gz DJGQQEWVVJTQPP-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000783524595 647724463 /nfs/dbraw/zinc/72/44/63/647724463.db2.gz HNDWJRMRFZTPTE-LBPRGKRZSA-N 0 3 297.420 2.258 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000866462968 647795929 /nfs/dbraw/zinc/79/59/29/647795929.db2.gz FIXIJRHEODPGAY-CVJICSNFSA-N 0 3 281.249 2.494 20 10 CECDHN CCOc1ccc(C[N@H+](CCOC)[C@H]2CCOC2)c([O-])c1 ZINC000787334961 648100932 /nfs/dbraw/zinc/10/09/32/648100932.db2.gz NUPATHKFGKNLSX-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@@H+](CCOC)[C@H]2CCOC2)c([O-])c1 ZINC000787334961 648100934 /nfs/dbraw/zinc/10/09/34/648100934.db2.gz NUPATHKFGKNLSX-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000789557074 648317067 /nfs/dbraw/zinc/31/70/67/648317067.db2.gz FXNHPAQJWZUYOA-AWEZNQCLSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000789557074 648317072 /nfs/dbraw/zinc/31/70/72/648317072.db2.gz FXNHPAQJWZUYOA-AWEZNQCLSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H](O)C(C)(C)C2)c1O ZINC000790936444 648461979 /nfs/dbraw/zinc/46/19/79/648461979.db2.gz CVKAHIXSIDAKQB-GFCCVEGCSA-N 0 3 285.771 2.257 20 10 CECDHN C[N@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000792250601 648630228 /nfs/dbraw/zinc/63/02/28/648630228.db2.gz WOTZUAVZWSTFQI-UHFFFAOYSA-N 0 3 285.347 2.248 20 10 CECDHN C[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccccc1[O-] ZINC000792250601 648630231 /nfs/dbraw/zinc/63/02/31/648630231.db2.gz WOTZUAVZWSTFQI-UHFFFAOYSA-N 0 3 285.347 2.248 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)CC2CCC2)c([O-])c1 ZINC000793321086 648742610 /nfs/dbraw/zinc/74/26/10/648742610.db2.gz GGWZUAPIJUAKGH-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000124610512 649719006 /nfs/dbraw/zinc/71/90/06/649719006.db2.gz DLDQEPIEANXHHI-OAHLLOKOSA-N 0 3 277.412 2.051 20 10 CECDHN CC(C)[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647864 651335072 /nfs/dbraw/zinc/33/50/72/651335072.db2.gz OJJGDLXXJCJBLO-VXGBXAGGSA-N 0 3 264.369 2.204 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccccc1[O-] ZINC000879648827 651335193 /nfs/dbraw/zinc/33/51/93/651335193.db2.gz BIDHWXKDJJIONL-AYRXBEOTSA-N 0 3 288.391 2.490 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CC1CCC1 ZINC000883126536 652370757 /nfs/dbraw/zinc/37/07/57/652370757.db2.gz RUKFJVDXPYEKNR-LBPRGKRZSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2ccncc2N)c1 ZINC000883156806 652381961 /nfs/dbraw/zinc/38/19/61/652381961.db2.gz ZYHUWRHABJYCGK-JTQLQIEISA-N 0 3 273.336 2.229 20 10 CECDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccccc1[O-] ZINC000883277006 652422193 /nfs/dbraw/zinc/42/21/93/652422193.db2.gz SODRYWFSHHGBRW-JSGCOSHPSA-N 0 3 275.348 2.487 20 10 CECDHN C[C@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000131512842 652431950 /nfs/dbraw/zinc/43/19/50/652431950.db2.gz VEINKGLCXFLPLA-CABZTGNLSA-N 0 3 254.761 2.357 20 10 CECDHN N[C@H](CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193392 652747946 /nfs/dbraw/zinc/74/79/46/652747946.db2.gz FEMHDBBKMRLGOW-MRXNPFEDSA-N 0 3 287.407 2.030 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000134236142 652796249 /nfs/dbraw/zinc/79/62/49/652796249.db2.gz XFIYPHOFASLIKB-UHFFFAOYSA-N 0 3 280.331 2.467 20 10 CECDHN CC(C)CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000135719080 652980141 /nfs/dbraw/zinc/98/01/41/652980141.db2.gz DPKJLZQKCCVJHP-NEPJUHHUSA-N 0 3 264.369 2.204 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])CC1COC(C)(C)OC1 ZINC001209199416 802481898 /nfs/dbraw/zinc/48/18/98/802481898.db2.gz ZIUMONMFFAOQBB-UHFFFAOYSA-N 0 3 265.353 2.223 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])CC1COC(C)(C)OC1 ZINC001209199416 802481900 /nfs/dbraw/zinc/48/19/00/802481900.db2.gz ZIUMONMFFAOQBB-UHFFFAOYSA-N 0 3 265.353 2.223 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723545752 802884681 /nfs/dbraw/zinc/88/46/81/802884681.db2.gz KUPDQAUYKDMVJQ-TZMCWYRMSA-N 0 3 276.380 2.301 20 10 CECDHN COc1ccc(CNC[C@@H]2CCCCS2(=O)=O)cc1C ZINC000694591063 803571014 /nfs/dbraw/zinc/57/10/14/803571014.db2.gz QUBLLVKNXSCBEG-AWEZNQCLSA-N 0 3 297.420 2.061 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694591865 803571788 /nfs/dbraw/zinc/57/17/88/803571788.db2.gz WUQZTIWNNVJSTO-OCCSQVGLSA-N 0 3 297.420 2.400 20 10 CECDHN CC(C)O[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000722356432 804351961 /nfs/dbraw/zinc/35/19/61/804351961.db2.gz PMADWBHXEQLVFB-OAHLLOKOSA-N 0 3 283.343 2.205 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000722355840 804353494 /nfs/dbraw/zinc/35/34/94/804353494.db2.gz HFARTLFKRFEZTR-MFKMUULPSA-N 0 3 280.343 2.193 20 10 CECDHN Cc1ccc(C[C@H](CO)[NH2+]Cc2ccccc2[O-])cc1 ZINC000188981677 808109507 /nfs/dbraw/zinc/10/95/07/808109507.db2.gz AFAFBAYZJZPMHJ-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2c(C)cccc2[O-])CC12CC2 ZINC001237491669 808221536 /nfs/dbraw/zinc/22/15/36/808221536.db2.gz QKBINWYOQKGQIU-CYBMUJFWSA-N 0 3 275.348 2.086 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC12CC2 ZINC001237491669 808221540 /nfs/dbraw/zinc/22/15/40/808221540.db2.gz QKBINWYOQKGQIU-CYBMUJFWSA-N 0 3 275.348 2.086 20 10 CECDHN CC(C)OC(=O)C1CCN(Cc2ccc(N)cc2)CC1 ZINC001120268164 815209157 /nfs/dbraw/zinc/20/91/57/815209157.db2.gz AYIWJMIMLQBHQF-UHFFFAOYSA-N 0 3 276.380 2.432 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC001203557098 808701190 /nfs/dbraw/zinc/70/11/90/808701190.db2.gz ZDAVMESMQFLTGP-DGCLKSJQSA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC001203557098 808701194 /nfs/dbraw/zinc/70/11/94/808701194.db2.gz ZDAVMESMQFLTGP-DGCLKSJQSA-N 0 3 263.337 2.166 20 10 CECDHN CN1CC=C(C[NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000703417762 809648766 /nfs/dbraw/zinc/64/87/66/809648766.db2.gz PXSTUBYEBJUPQK-UHFFFAOYSA-N 0 3 268.307 2.022 20 10 CECDHN CCCN1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703394790 809649631 /nfs/dbraw/zinc/64/96/31/809649631.db2.gz MLAVXJZSQSYEHC-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN CCC[N@@H+]1CC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000703394790 809649636 /nfs/dbraw/zinc/64/96/36/809649636.db2.gz MLAVXJZSQSYEHC-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN CCC[N@H+]1CC[C@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000703394790 809649643 /nfs/dbraw/zinc/64/96/43/809649643.db2.gz MLAVXJZSQSYEHC-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN CCOC(=O)c1ncc(CNCc2ccccc2O)s1 ZINC000711420998 810070232 /nfs/dbraw/zinc/07/02/32/810070232.db2.gz KLIXJUPDOWQAPB-UHFFFAOYSA-N 0 3 292.360 2.315 20 10 CECDHN N[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185994 815568027 /nfs/dbraw/zinc/56/80/27/815568027.db2.gz PQULNPHMOZLYPQ-NEPJUHHUSA-N 0 3 272.751 2.307 20 10 CECDHN N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@H]1F ZINC001206185994 815568028 /nfs/dbraw/zinc/56/80/28/815568028.db2.gz PQULNPHMOZLYPQ-NEPJUHHUSA-N 0 3 272.751 2.307 20 10 CECDHN N[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185996 815567514 /nfs/dbraw/zinc/56/75/14/815567514.db2.gz PQULNPHMOZLYPQ-NWDGAFQWSA-N 0 3 272.751 2.307 20 10 CECDHN N[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185996 815567519 /nfs/dbraw/zinc/56/75/19/815567519.db2.gz PQULNPHMOZLYPQ-NWDGAFQWSA-N 0 3 272.751 2.307 20 10 CECDHN COCC[C@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000389101791 813247867 /nfs/dbraw/zinc/24/78/67/813247867.db2.gz OOIPZRBSHJLKJB-CHWSQXEVSA-N 0 3 267.369 2.403 20 10 CECDHN CN(C)c1ccc(CNCc2ccc[nH]c2=O)cc1 ZINC000714954685 814923757 /nfs/dbraw/zinc/92/37/57/814923757.db2.gz WJFMWJFPRKVMRM-UHFFFAOYSA-N 0 3 257.337 2.143 20 10 CECDHN O=c1ccc(C[N@@H+]2CCc3cccc([O-])c3C2)c[nH]1 ZINC001139469584 816031360 /nfs/dbraw/zinc/03/13/60/816031360.db2.gz YJEPDXBLQVDZTQ-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN O=c1ccc(C[N@H+]2CCc3cccc([O-])c3C2)c[nH]1 ZINC001139469584 816031366 /nfs/dbraw/zinc/03/13/66/816031366.db2.gz YJEPDXBLQVDZTQ-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058705 816180706 /nfs/dbraw/zinc/18/07/06/816180706.db2.gz IDIRYZRZFZLDIA-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058705 816180707 /nfs/dbraw/zinc/18/07/07/816180707.db2.gz IDIRYZRZFZLDIA-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN Cc1ccc(C)c(CN2CCO[C@@]3(CCOC3)C2)c1O ZINC001140178632 816204167 /nfs/dbraw/zinc/20/41/67/816204167.db2.gz RPWXMWKEGFZURS-INIZCTEOSA-N 0 3 277.364 2.000 20 10 CECDHN CCOC1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141026887 816448885 /nfs/dbraw/zinc/44/88/85/816448885.db2.gz GSFUFLXZYOWDPO-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN C[N@@H+]1CC[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142512957 816679244 /nfs/dbraw/zinc/67/92/44/816679244.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 0 3 282.334 2.054 20 10 CECDHN C[N@H+]1CC[C@@H]2CN(Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1 ZINC001142512957 816679248 /nfs/dbraw/zinc/67/92/48/816679248.db2.gz RAFNCMHPJGLCPN-PWSUYJOCSA-N 0 3 282.334 2.054 20 10 CECDHN CCOc1cccc(C[NH2+]CCC(=O)N[C@@H](C)CC)c1[O-] ZINC000038013684 361981231 /nfs/dbraw/zinc/98/12/31/361981231.db2.gz NCMWZISPAKNLFC-LBPRGKRZSA-N 0 3 294.395 2.185 20 10 CECDHN COc1ccc(N2CCCN(CCC(C)=O)CC2)cc1 ZINC000128295757 365784340 /nfs/dbraw/zinc/78/43/40/365784340.db2.gz QKXVILMFPAMIDB-UHFFFAOYSA-N 0 3 276.380 2.186 20 10 CECDHN CN(C)c1ccc(CN2CCC3(CC2)OCCO3)cc1F ZINC000126085804 282289524 /nfs/dbraw/zinc/28/95/24/282289524.db2.gz QUKFQGRGHBKOGU-UHFFFAOYSA-N 0 3 294.370 2.231 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105812 344177459 /nfs/dbraw/zinc/17/74/59/344177459.db2.gz RDLMCRHBKVBAIQ-UKRRQHHQSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105812 344177463 /nfs/dbraw/zinc/17/74/63/344177463.db2.gz RDLMCRHBKVBAIQ-UKRRQHHQSA-N 0 3 288.391 2.191 20 10 CECDHN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000271347281 344667291 /nfs/dbraw/zinc/66/72/91/344667291.db2.gz PHTPFWLIDFJDAV-WFASDCNBSA-N 0 3 266.360 2.094 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2CCSCC2)c1 ZINC000134650467 366350162 /nfs/dbraw/zinc/35/01/62/366350162.db2.gz BPSYZKHWILKASG-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479878 364190649 /nfs/dbraw/zinc/19/06/49/364190649.db2.gz ZFNKUFZZWVITMN-MPYYAJLASA-N 0 3 291.391 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479878 364190651 /nfs/dbraw/zinc/19/06/51/364190651.db2.gz ZFNKUFZZWVITMN-MPYYAJLASA-N 0 3 291.391 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820259 364232918 /nfs/dbraw/zinc/23/29/18/364232918.db2.gz ICUCMPZTLRZMMC-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820259 364232923 /nfs/dbraw/zinc/23/29/23/364232923.db2.gz ICUCMPZTLRZMMC-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093813956 364230862 /nfs/dbraw/zinc/23/08/62/364230862.db2.gz KKXKDNCQMZOAIE-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093813956 364230867 /nfs/dbraw/zinc/23/08/67/364230867.db2.gz KKXKDNCQMZOAIE-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN CC[C@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169092224 367364131 /nfs/dbraw/zinc/36/41/31/367364131.db2.gz AOEINUMSINOTQG-NSHDSACASA-N 0 3 273.760 2.305 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180634557 368390489 /nfs/dbraw/zinc/39/04/89/368390489.db2.gz JUSQLNWXCLJQEU-CYBMUJFWSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180634557 368390497 /nfs/dbraw/zinc/39/04/97/368390497.db2.gz JUSQLNWXCLJQEU-CYBMUJFWSA-N 0 3 255.745 2.311 20 10 CECDHN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000184569005 368704230 /nfs/dbraw/zinc/70/42/30/368704230.db2.gz LMUCOYQKLYPMFG-UWVGGRQHSA-N 0 3 269.316 2.209 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000188112914 369298446 /nfs/dbraw/zinc/29/84/46/369298446.db2.gz ZSOKAMGKIZTMFK-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000188112914 369298447 /nfs/dbraw/zinc/29/84/47/369298447.db2.gz ZSOKAMGKIZTMFK-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN CCCOc1ccc(C[NH2+]CC2(C(=O)OC)CC2)c([O-])c1 ZINC000188670818 369392229 /nfs/dbraw/zinc/39/22/29/369392229.db2.gz LHOOSVZPIVSXFI-UHFFFAOYSA-N 0 3 293.363 2.224 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000189951038 369581248 /nfs/dbraw/zinc/58/12/48/369581248.db2.gz PJGPTFHBFWIAQV-DGCLKSJQSA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189958908 369583331 /nfs/dbraw/zinc/58/33/31/369583331.db2.gz RBFISSNDQXNUTJ-WFASDCNBSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cc(O)c(CN2CC[C@H](C)[C@@H](OC)C2)cc1OC ZINC000190190887 369602967 /nfs/dbraw/zinc/60/29/67/369602967.db2.gz OBMZPCQGGXQJRW-ZBEGNZNMSA-N 0 3 295.379 2.266 20 10 CECDHN CC[C@]1(CO)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000190211558 369604973 /nfs/dbraw/zinc/60/49/73/369604973.db2.gz FTNHNUWSDLWPJO-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000190211558 369604978 /nfs/dbraw/zinc/60/49/78/369604978.db2.gz FTNHNUWSDLWPJO-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000191176026 369687898 /nfs/dbraw/zinc/68/78/98/369687898.db2.gz FCOCOZNFWWDETI-WFASDCNBSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000191176026 369687903 /nfs/dbraw/zinc/68/79/03/369687903.db2.gz FCOCOZNFWWDETI-WFASDCNBSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1[O-] ZINC000359956883 371494683 /nfs/dbraw/zinc/49/46/83/371494683.db2.gz FZFTVIOIWVGDDL-CABZTGNLSA-N 0 3 275.327 2.463 20 10 CECDHN O=C(NCc1ccccc1O)[C@@H]1CCCN1C1CCCC1 ZINC000269701728 372539682 /nfs/dbraw/zinc/53/96/82/372539682.db2.gz PRKADBRGZSDUFO-HNNXBMFYSA-N 0 3 288.391 2.415 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccccc1[O-] ZINC000364357711 372735678 /nfs/dbraw/zinc/73/56/78/372735678.db2.gz DQBDHLGJBHGWKA-HOCLYGCPSA-N 0 3 290.407 2.296 20 10 CECDHN CCOc1ccc(O)c(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000270441225 372793372 /nfs/dbraw/zinc/79/33/72/372793372.db2.gz AGDAMFJROWMBNM-LBPRGKRZSA-N 0 3 293.285 2.194 20 10 CECDHN COc1cc(O)c(CN2CCCSCC2)cc1OC ZINC000271101885 373120048 /nfs/dbraw/zinc/12/00/48/373120048.db2.gz PSDRKZNNPMPXNA-UHFFFAOYSA-N 0 3 283.393 2.348 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCSCC2)cc1OC ZINC000271101885 373120054 /nfs/dbraw/zinc/12/00/54/373120054.db2.gz PSDRKZNNPMPXNA-UHFFFAOYSA-N 0 3 283.393 2.348 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCSCC2)cc1OC ZINC000271101885 373120060 /nfs/dbraw/zinc/12/00/60/373120060.db2.gz PSDRKZNNPMPXNA-UHFFFAOYSA-N 0 3 283.393 2.348 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(F)ccc1[O-] ZINC000367687695 373180602 /nfs/dbraw/zinc/18/06/02/373180602.db2.gz LHGRVKPPMIBDMO-STRQVWJDSA-N 0 3 251.301 2.074 20 10 CECDHN CCCOc1ccc(C[N@H+](CC)CCCO)c([O-])c1 ZINC000271213307 373181810 /nfs/dbraw/zinc/18/18/10/373181810.db2.gz VSNJKHQHZPHTJF-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCOc1ccc(C[N@@H+](CC)CCCO)c([O-])c1 ZINC000271213307 373181815 /nfs/dbraw/zinc/18/18/15/373181815.db2.gz VSNJKHQHZPHTJF-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000271279558 373186355 /nfs/dbraw/zinc/18/63/55/373186355.db2.gz LTBPWZQOCBBGRX-LRDDRELGSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000271279558 373186362 /nfs/dbraw/zinc/18/63/62/373186362.db2.gz LTBPWZQOCBBGRX-LRDDRELGSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000367785884 373188525 /nfs/dbraw/zinc/18/85/25/373188525.db2.gz XEPVDVDTWKCWMC-STQMWFEESA-N 0 3 286.379 2.055 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1OC ZINC000271794260 373201331 /nfs/dbraw/zinc/20/13/31/373201331.db2.gz HQRSXLQFHNRNSX-JQWIXIFHSA-N 0 3 281.352 2.067 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271782141 373201631 /nfs/dbraw/zinc/20/16/31/373201631.db2.gz HVFRBLXQJKIEGN-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271782141 373201635 /nfs/dbraw/zinc/20/16/35/373201635.db2.gz HVFRBLXQJKIEGN-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN C[C@H](NCCF)c1ccc(N2CCOCC2)cc1 ZINC000271767149 373201655 /nfs/dbraw/zinc/20/16/55/373201655.db2.gz FCWCTVFDAKLVGX-LBPRGKRZSA-N 0 3 252.333 2.143 20 10 CECDHN COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271873088 373203652 /nfs/dbraw/zinc/20/36/52/373203652.db2.gz YJBCBYOWRJRGPJ-AWEZNQCLSA-N 0 3 298.814 2.164 20 10 CECDHN CCOc1cccc(CN(C)CCOCCCOC)c1O ZINC000272366772 373449644 /nfs/dbraw/zinc/44/96/44/373449644.db2.gz ONWLMKSBTOBSGT-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN C[C@@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000272653083 373601435 /nfs/dbraw/zinc/60/14/35/373601435.db2.gz QDKXUGQSFOVANK-GHMZBOCLSA-N 0 3 253.317 2.436 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)CCc2cnccn2)c1 ZINC000273750193 373770950 /nfs/dbraw/zinc/77/09/50/373770950.db2.gz NMGBEBABPQGEPX-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)CCc2cnccn2)c1 ZINC000273750193 373770956 /nfs/dbraw/zinc/77/09/56/373770956.db2.gz NMGBEBABPQGEPX-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN C[C@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000273133949 373745862 /nfs/dbraw/zinc/74/58/62/373745862.db2.gz NCZGNVASYIBBNV-CVEARBPZSA-N 0 3 291.347 2.168 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1C ZINC000273413710 373755784 /nfs/dbraw/zinc/75/57/84/373755784.db2.gz QFIJUNHLYLJSPC-ZDUSSCGKSA-N 0 3 278.396 2.432 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)OC)c1 ZINC000273568728 373764983 /nfs/dbraw/zinc/76/49/83/373764983.db2.gz KEWCEYQTUXEMRH-WDEREUQCSA-N 0 3 253.342 2.476 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000273610455 373768966 /nfs/dbraw/zinc/76/89/66/373768966.db2.gz VRMBGPUWSRLMCM-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c([O-])c1 ZINC000282187387 375423882 /nfs/dbraw/zinc/42/38/82/375423882.db2.gz GAUHKKWQJCDNPA-ADLMAVQZSA-N 0 3 267.394 2.262 20 10 CECDHN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000282992877 375632266 /nfs/dbraw/zinc/63/22/66/375632266.db2.gz KDKWZMLQDMMZSG-ZDUSSCGKSA-N 0 3 275.327 2.432 20 10 CECDHN COC[C@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])OC ZINC000285115164 375836088 /nfs/dbraw/zinc/83/60/88/375836088.db2.gz KVYFNQKFLXAZEB-STQMWFEESA-N 0 3 267.369 2.321 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000285264145 375837621 /nfs/dbraw/zinc/83/76/21/375837621.db2.gz QNKXFPNULKXHIP-OLZOCXBDSA-N 0 3 297.420 2.094 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287166531 376164534 /nfs/dbraw/zinc/16/45/34/376164534.db2.gz UHBWVHZTIOZGKJ-QWHCGFSZSA-N 0 3 297.420 2.176 20 10 CECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289203852 376388965 /nfs/dbraw/zinc/38/89/65/376388965.db2.gz BOAWTQJZWVJNOU-AWEZNQCLSA-N 0 3 294.370 2.412 20 10 CECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289203852 376388971 /nfs/dbraw/zinc/38/89/71/376388971.db2.gz BOAWTQJZWVJNOU-AWEZNQCLSA-N 0 3 294.370 2.412 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000294741632 378017267 /nfs/dbraw/zinc/01/72/67/378017267.db2.gz HFDYQMGMDILXQL-GFCCVEGCSA-N 0 3 251.326 2.058 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294650395 378002568 /nfs/dbraw/zinc/00/25/68/378002568.db2.gz GSYYZPOKPBDWCJ-CHWSQXEVSA-N 0 3 267.369 2.057 20 10 CECDHN CN(C)C(=O)O[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000295181774 378046662 /nfs/dbraw/zinc/04/66/62/378046662.db2.gz VVLRQUAMYFEKKC-HNNXBMFYSA-N 0 3 291.395 2.025 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@]2(C)OCC)c1[O-] ZINC000527783330 379812190 /nfs/dbraw/zinc/81/21/90/379812190.db2.gz IVVGGNKAVRRXKG-HIFRSBDPSA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1cccc(CN[C@@H]2C[C@]2(C)OCC)c1O ZINC000527783330 379812195 /nfs/dbraw/zinc/81/21/95/379812195.db2.gz IVVGGNKAVRRXKG-HIFRSBDPSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000529670595 380183631 /nfs/dbraw/zinc/18/36/31/380183631.db2.gz VBUYXWPFPWKAIN-CABCVRRESA-N 0 3 265.353 2.446 20 10 CECDHN COc1ccc(O)c(CN[C@@H]2C[C@]2(C)OC(C)C)c1 ZINC000529670595 380183639 /nfs/dbraw/zinc/18/36/39/380183639.db2.gz VBUYXWPFPWKAIN-CABCVRRESA-N 0 3 265.353 2.446 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000219886671 262351052 /nfs/dbraw/zinc/35/10/52/262351052.db2.gz SMISRQXKBQMJBK-JQWIXIFHSA-N 0 3 251.326 2.058 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000226381178 394470323 /nfs/dbraw/zinc/47/03/23/394470323.db2.gz PTBOTJBJMXVLCJ-SNVBAGLBSA-N 0 3 253.367 2.244 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109543446 394734300 /nfs/dbraw/zinc/73/43/00/394734300.db2.gz SHKJFJVIAQSZNN-MNOVXSKESA-N 0 3 251.326 2.230 20 10 CECDHN O=C1OCCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000360674912 394805827 /nfs/dbraw/zinc/80/58/27/394805827.db2.gz UYSQRFJLQJDIQA-UHFFFAOYSA-N 0 3 279.311 2.060 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000124709273 394840183 /nfs/dbraw/zinc/84/01/83/394840183.db2.gz IYDYLPIRXCNAFK-LSDHHAIUSA-N 0 3 260.381 2.417 20 10 CECDHN CN(C)c1ccc(CN(C)[C@H]2CCOC2)cc1F ZINC000132076923 394923790 /nfs/dbraw/zinc/92/37/90/394923790.db2.gz QTUCFWUYSJYWGF-LBPRGKRZSA-N 0 3 252.333 2.112 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000365680048 394931129 /nfs/dbraw/zinc/93/11/29/394931129.db2.gz RHDWTKMWMFSJOL-CVEARBPZSA-N 0 3 291.391 2.192 20 10 CECDHN CCCCOCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134224954 394956461 /nfs/dbraw/zinc/95/64/61/394956461.db2.gz QYEVMDSNHYUTMX-UHFFFAOYSA-N 0 3 281.352 2.417 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CCOC)c([O-])c1 ZINC000133464175 394952642 /nfs/dbraw/zinc/95/26/42/394952642.db2.gz QZUGEJFHASEUGN-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CCOC)c([O-])c1 ZINC000133464175 394952645 /nfs/dbraw/zinc/95/26/45/394952645.db2.gz QZUGEJFHASEUGN-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCn1cc(Br)cn1 ZINC000285627934 394960898 /nfs/dbraw/zinc/96/08/98/394960898.db2.gz YNTIWTRXLFFETJ-UHFFFAOYSA-N 0 3 296.168 2.141 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000168800037 395089127 /nfs/dbraw/zinc/08/91/27/395089127.db2.gz HBFOFZVAXVUPNA-SDDRHHMPSA-N 0 3 265.353 2.476 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000376040525 395108179 /nfs/dbraw/zinc/10/81/79/395108179.db2.gz ATKVGCRRTGBRIH-OAHLLOKOSA-N 0 3 297.782 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000376040525 395108183 /nfs/dbraw/zinc/10/81/83/395108183.db2.gz ATKVGCRRTGBRIH-OAHLLOKOSA-N 0 3 297.782 2.401 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1 ZINC000293696882 395247889 /nfs/dbraw/zinc/24/78/89/395247889.db2.gz REAJYKFENPSUEE-INIZCTEOSA-N 0 3 279.380 2.432 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCC(=O)NC)cc1F ZINC000179409439 395193490 /nfs/dbraw/zinc/19/34/90/395193490.db2.gz OMCJAAVIRVPKMS-UHFFFAOYSA-N 0 3 295.402 2.240 20 10 CECDHN COc1cc(O)c(CN2CCCO[C@H](C)C2)cc1OC ZINC000179443875 395193872 /nfs/dbraw/zinc/19/38/72/395193872.db2.gz PVFCWCDHFHUHCZ-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000188468505 395316207 /nfs/dbraw/zinc/31/62/07/395316207.db2.gz QZSUNYCROYJZSP-NEPJUHHUSA-N 0 3 264.369 2.218 20 10 CECDHN C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000183522719 395259190 /nfs/dbraw/zinc/25/91/90/395259190.db2.gz PFXKCNJYRUBJLJ-UONOGXRCSA-N 0 3 278.396 2.011 20 10 CECDHN Cc1nnc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)s1 ZINC000297470139 395341820 /nfs/dbraw/zinc/34/18/20/395341820.db2.gz YMYZLFXNSRLVMI-LLVKDONJSA-N 0 3 275.377 2.372 20 10 CECDHN Cc1cccc(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000193399029 395408215 /nfs/dbraw/zinc/40/82/15/395408215.db2.gz UPLLHGSEYFIAAH-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN Cc1cccc(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1[O-] ZINC000193399029 395408218 /nfs/dbraw/zinc/40/82/18/395408218.db2.gz UPLLHGSEYFIAAH-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN Cc1cccc(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000193399029 395408220 /nfs/dbraw/zinc/40/82/20/395408220.db2.gz UPLLHGSEYFIAAH-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN COCCOCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000020192036 171058567 /nfs/dbraw/zinc/05/85/67/171058567.db2.gz ZNXFLOOXPWFFCT-GFCCVEGCSA-N 0 3 253.342 2.096 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1[O-] ZINC000020206680 171071682 /nfs/dbraw/zinc/07/16/82/171071682.db2.gz BNZNDJYMDCJRCN-CMPLNLGQSA-N 0 3 251.326 2.058 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCCOCCOC)cc1 ZINC000153997659 261086289 /nfs/dbraw/zinc/08/62/89/261086289.db2.gz IFMOBMDMRDOYFX-AWEZNQCLSA-N 0 3 280.412 2.456 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1[O-] ZINC000155434848 261102239 /nfs/dbraw/zinc/10/22/39/261102239.db2.gz FDHDLQSIZWWIDL-AAEUAGOBSA-N 0 3 260.341 2.113 20 10 CECDHN Cc1cccc(C[NH+]2CCC(C3OCCO3)CC2)c1[O-] ZINC000180011237 261831572 /nfs/dbraw/zinc/83/15/72/261831572.db2.gz FCOAHMURRWDTOQ-UHFFFAOYSA-N 0 3 277.364 2.286 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000186029779 262076427 /nfs/dbraw/zinc/07/64/27/262076427.db2.gz ZMOCEMRNESHUQO-NEPJUHHUSA-N 0 3 285.409 2.174 20 10 CECDHN C[C@@H](O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543282 263006393 /nfs/dbraw/zinc/00/63/93/263006393.db2.gz PPNXEPSESJJJMF-DGCLKSJQSA-N 0 3 266.360 2.094 20 10 CECDHN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599279 263117634 /nfs/dbraw/zinc/11/76/34/263117634.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 0 3 266.360 2.303 20 10 CECDHN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599279 263117635 /nfs/dbraw/zinc/11/76/35/263117635.db2.gz VUXCMXPXPHQSAF-FZMZJTMJSA-N 0 3 266.360 2.303 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000367668369 267106871 /nfs/dbraw/zinc/10/68/71/267106871.db2.gz HMWYWGOUOLXXLY-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCNC(=O)C[C@@H]1C ZINC000367668369 267106876 /nfs/dbraw/zinc/10/68/76/267106876.db2.gz HMWYWGOUOLXXLY-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367699284 267111458 /nfs/dbraw/zinc/11/14/58/267111458.db2.gz HMFADFIMMOOZPG-DGCLKSJQSA-N 0 3 262.353 2.041 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367699284 267111460 /nfs/dbraw/zinc/11/14/60/267111460.db2.gz HMFADFIMMOOZPG-DGCLKSJQSA-N 0 3 262.353 2.041 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367808176 267119339 /nfs/dbraw/zinc/11/93/39/267119339.db2.gz ZJOWOTIFAJADHR-ITGUQSILSA-N 0 3 267.756 2.024 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367808176 267119342 /nfs/dbraw/zinc/11/93/42/267119342.db2.gz ZJOWOTIFAJADHR-ITGUQSILSA-N 0 3 267.756 2.024 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368043498 267141107 /nfs/dbraw/zinc/14/11/07/267141107.db2.gz QBBRMMIKTAWDKT-NEPJUHHUSA-N 0 3 277.364 2.430 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(F)ccc1[O-] ZINC000368328706 267163301 /nfs/dbraw/zinc/16/33/01/267163301.db2.gz AFKYMBMTESSQJD-JCRCQARHSA-N 0 3 292.354 2.191 20 10 CECDHN CCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296095311 276187640 /nfs/dbraw/zinc/18/76/40/276187640.db2.gz UBHLPRDTZSMVCI-UONOGXRCSA-N 0 3 260.381 2.453 20 10 CECDHN CN1CC[C@H]2CC[N@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488715 277177826 /nfs/dbraw/zinc/17/78/26/277177826.db2.gz BIFCYWKXWBFESD-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488715 277177827 /nfs/dbraw/zinc/17/78/27/277177827.db2.gz BIFCYWKXWBFESD-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@@H+]1CC[C@H]2CCN(Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488715 277177828 /nfs/dbraw/zinc/17/78/28/277177828.db2.gz BIFCYWKXWBFESD-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@H]2CCN(Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488715 277177830 /nfs/dbraw/zinc/17/78/30/277177830.db2.gz BIFCYWKXWBFESD-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN C[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)N(C)C ZINC000036793870 279491611 /nfs/dbraw/zinc/49/16/11/279491611.db2.gz RKVNWRYVFIQSEZ-AWEZNQCLSA-N 0 3 289.423 2.243 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1[O-] ZINC000135657316 295299423 /nfs/dbraw/zinc/29/94/23/295299423.db2.gz OEKYFMNLKWEPEL-CHWSQXEVSA-N 0 3 265.353 2.184 20 10 CECDHN COc1cccc(C[NH2+]CC[C@H]2CCCOC2)c1[O-] ZINC000527739355 297743165 /nfs/dbraw/zinc/74/31/65/297743165.db2.gz MOMUAZCKVLYZDR-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)CCO)c1 ZINC000295106743 327606023 /nfs/dbraw/zinc/60/60/23/327606023.db2.gz LBHJMICZHBFLJH-NWDGAFQWSA-N 0 3 267.369 2.460 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccccc1[O-] ZINC000377409037 329014597 /nfs/dbraw/zinc/01/45/97/329014597.db2.gz HIJMHBPETGSBGM-GHMZBOCLSA-N 0 3 257.337 2.323 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1[O-] ZINC000377409037 329014599 /nfs/dbraw/zinc/01/45/99/329014599.db2.gz HIJMHBPETGSBGM-GHMZBOCLSA-N 0 3 257.337 2.323 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622675 329021308 /nfs/dbraw/zinc/02/13/08/329021308.db2.gz IJDHETJJZDLGGF-CZUORRHYSA-N 0 3 274.364 2.055 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622675 329021309 /nfs/dbraw/zinc/02/13/09/329021309.db2.gz IJDHETJJZDLGGF-CZUORRHYSA-N 0 3 274.364 2.055 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377888021 329033390 /nfs/dbraw/zinc/03/33/90/329033390.db2.gz HWJAAMVXHBEXMQ-LBPRGKRZSA-N 0 3 287.363 2.124 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377888021 329033391 /nfs/dbraw/zinc/03/33/91/329033391.db2.gz HWJAAMVXHBEXMQ-LBPRGKRZSA-N 0 3 287.363 2.124 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@H](CO)C2)cc1OC ZINC000378440133 329050305 /nfs/dbraw/zinc/05/03/05/329050305.db2.gz ZNDFEBFEWNVXGQ-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@H](CO)C2)cc1OC ZINC000378440133 329050306 /nfs/dbraw/zinc/05/03/06/329050306.db2.gz ZNDFEBFEWNVXGQ-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN Cc1cccc(C[NH+]2CCC(Cn3cncn3)CC2)c1[O-] ZINC000189969533 329390698 /nfs/dbraw/zinc/39/06/98/329390698.db2.gz OUIFKHQBRGHFKT-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005056 333292253 /nfs/dbraw/zinc/29/22/53/333292253.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 0 3 278.371 2.447 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005056 333292254 /nfs/dbraw/zinc/29/22/54/333292254.db2.gz FGUROKCVMWRJSY-SWLSCSKDSA-N 0 3 278.371 2.447 20 10 CECDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000188484137 520214089 /nfs/dbraw/zinc/21/40/89/520214089.db2.gz GGOYIHRRKPOPEL-NEPJUHHUSA-N 0 3 264.369 2.218 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000188484137 520214096 /nfs/dbraw/zinc/21/40/96/520214096.db2.gz GGOYIHRRKPOPEL-NEPJUHHUSA-N 0 3 264.369 2.218 20 10 CECDHN CCCOc1ccc(C[NH2+]CCC(C)(C)O)c([O-])c1 ZINC000274772374 520366690 /nfs/dbraw/zinc/36/66/90/520366690.db2.gz SDVMADGJMMTSHP-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CCC[C@@](C)(N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801180 520916334 /nfs/dbraw/zinc/91/63/34/520916334.db2.gz RRPWEOBVHONCQZ-MRXNPFEDSA-N 0 3 277.412 2.229 20 10 CECDHN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)CO ZINC000292723675 521288315 /nfs/dbraw/zinc/28/83/15/521288315.db2.gz FPUULRVCQTVSJY-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)CO ZINC000292723675 521288324 /nfs/dbraw/zinc/28/83/24/521288324.db2.gz FPUULRVCQTVSJY-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN CCOc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000280616967 521361564 /nfs/dbraw/zinc/36/15/64/521361564.db2.gz KOXLYKZAGCQQSJ-FQEVSTJZSA-N 0 3 297.420 2.182 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000037155470 521374503 /nfs/dbraw/zinc/37/45/03/521374503.db2.gz LBTXUTDYONWZAA-GFCCVEGCSA-N 0 3 275.352 2.166 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@@H]2C(=N)NO)cc1 ZINC000365151915 522176695 /nfs/dbraw/zinc/17/66/95/522176695.db2.gz UQXQGFCZQZMBLW-CQSZACIVSA-N 0 3 276.384 2.063 20 10 CECDHN CC[C@H]([NH2+]CCCNC(C)=O)c1ccc(C)cc1[O-] ZINC000280079072 522584369 /nfs/dbraw/zinc/58/43/69/522584369.db2.gz LPSFSRZLUVGSPB-AWEZNQCLSA-N 0 3 264.369 2.268 20 10 CECDHN CC[C@H]([NH2+]CCN(C)CCOC)c1ccccc1[O-] ZINC000061375155 522590644 /nfs/dbraw/zinc/59/06/44/522590644.db2.gz BFWMAMWBURYEPS-AWEZNQCLSA-N 0 3 266.385 2.011 20 10 CECDHN CC[C@@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000280083167 522812015 /nfs/dbraw/zinc/81/20/15/522812015.db2.gz LWIZDPLVAHIVQY-CYBMUJFWSA-N 0 3 278.352 2.192 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccccc1[O-] ZINC000274896962 522921087 /nfs/dbraw/zinc/92/10/87/522921087.db2.gz KKEIOEODQYCGTR-TZMCWYRMSA-N 0 3 276.380 2.442 20 10 CECDHN COCCC1(C)CN(Cc2cccc(OC)c2O)C1 ZINC000297444850 523025374 /nfs/dbraw/zinc/02/53/74/523025374.db2.gz PXAAWJZMKLDGLJ-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000087013364 523674615 /nfs/dbraw/zinc/67/46/15/523674615.db2.gz VHUVSCCVBZKAMQ-IINYFYTJSA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccc(CNCC2([S@](C)=O)CCC2)cc1C ZINC000280626425 524070025 /nfs/dbraw/zinc/07/00/25/524070025.db2.gz LOZAGSUSPPDLAE-IBGZPJMESA-N 0 3 281.421 2.394 20 10 CECDHN Cc1cccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000279607295 524403570 /nfs/dbraw/zinc/40/35/70/524403570.db2.gz FFYMFZSTCKQPPT-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc(O)c(CN2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291014680 524744263 /nfs/dbraw/zinc/74/42/63/524744263.db2.gz XEFMTEUUWSBPAW-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291014680 524744272 /nfs/dbraw/zinc/74/42/72/524744272.db2.gz XEFMTEUUWSBPAW-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000291014680 524744279 /nfs/dbraw/zinc/74/42/79/524744279.db2.gz XEFMTEUUWSBPAW-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279776596 524754269 /nfs/dbraw/zinc/75/42/69/524754269.db2.gz KWKAULWPTHTHKZ-CYBMUJFWSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191655644 524766655 /nfs/dbraw/zinc/76/66/55/524766655.db2.gz DEIUVXCYWVSRCT-HBNTYKKESA-N 0 3 253.342 2.475 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cc(F)ccc1[O-] ZINC000228855056 525588637 /nfs/dbraw/zinc/58/86/37/525588637.db2.gz IXGFHPQNMLKXCR-ZEGGKSINSA-N 0 3 253.317 2.341 20 10 CECDHN COc1cccc(CNCc2ncccc2C)c1O ZINC000071339382 526025513 /nfs/dbraw/zinc/02/55/13/526025513.db2.gz WZOAZKSJOAIDHS-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1nnsc1CNCc1cc(C)c(C)cc1O ZINC000291771007 526446315 /nfs/dbraw/zinc/44/63/15/526446315.db2.gz SUQNUENXIMCTLI-UHFFFAOYSA-N 0 3 263.366 2.459 20 10 CECDHN O=C(CC[NH2+]Cc1cc(F)ccc1[O-])N1CCCCC1 ZINC000226585270 526511365 /nfs/dbraw/zinc/51/13/65/526511365.db2.gz ZDEGKONGIRDFSZ-UHFFFAOYSA-N 0 3 280.343 2.024 20 10 CECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)NC1CC1 ZINC000731847466 574603708 /nfs/dbraw/zinc/60/37/08/574603708.db2.gz LDWPLCYPBDMJLV-UHFFFAOYSA-N 0 3 288.391 2.415 20 10 CECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)NC1CC1 ZINC000731847466 574603709 /nfs/dbraw/zinc/60/37/09/574603709.db2.gz LDWPLCYPBDMJLV-UHFFFAOYSA-N 0 3 288.391 2.415 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C2CC2)N(C)C)c1 ZINC000756433543 574812943 /nfs/dbraw/zinc/81/29/43/574812943.db2.gz PWWHHUMLOBZVFJ-XHDPSFHLSA-N 0 3 278.396 2.392 20 10 CECDHN CN(C)c1ccc(CNCc2ccc(C(N)=O)cc2)cc1 ZINC000034992529 622550879 /nfs/dbraw/zinc/55/08/79/622550879.db2.gz HCSNADUHMZBYSD-UHFFFAOYSA-N 0 3 283.375 2.141 20 10 CECDHN O=C(C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-])NC1CC1 ZINC000725845108 625732499 /nfs/dbraw/zinc/73/24/99/625732499.db2.gz LHKCWTAMDMLPCE-UHFFFAOYSA-N 0 3 296.370 2.427 20 10 CECDHN CC(=O)N[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000228356725 628165878 /nfs/dbraw/zinc/16/58/78/628165878.db2.gz QNOVSXVZGFDKBT-AWEZNQCLSA-N 0 3 284.359 2.256 20 10 CECDHN CC(=O)N[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000228356725 628165879 /nfs/dbraw/zinc/16/58/79/628165879.db2.gz QNOVSXVZGFDKBT-AWEZNQCLSA-N 0 3 284.359 2.256 20 10 CECDHN COc1ccc(CNCc2cncc(C)c2)c(O)c1OC ZINC000893249367 628183210 /nfs/dbraw/zinc/18/32/10/628183210.db2.gz QCXJUYSYBIZGFH-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)ccc1[O-] ZINC000310981736 628342389 /nfs/dbraw/zinc/34/23/89/628342389.db2.gz RDOYJVOZTCVHEH-LKFCYVNXSA-N 0 3 253.317 2.343 20 10 CECDHN C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1[O-] ZINC000902449413 634672094 /nfs/dbraw/zinc/67/20/94/634672094.db2.gz OCKSYPBVVWOCHX-TVQRCGJNSA-N 0 3 252.333 2.180 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000840976929 628984937 /nfs/dbraw/zinc/98/49/37/628984937.db2.gz ZGBDEMFHRTUSBW-OAHLLOKOSA-N 0 3 263.337 2.167 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840976929 628984938 /nfs/dbraw/zinc/98/49/38/628984938.db2.gz ZGBDEMFHRTUSBW-OAHLLOKOSA-N 0 3 263.337 2.167 20 10 CECDHN C[C@H]([NH2+]CCC(=O)N1CCCC1)c1ccccc1[O-] ZINC000020127212 629998838 /nfs/dbraw/zinc/99/88/38/629998838.db2.gz DOCBVYKKYKLXAI-LBPRGKRZSA-N 0 3 262.353 2.055 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCC2(O)CCOCC2)c([O-])c1 ZINC000797031874 630110524 /nfs/dbraw/zinc/11/05/24/630110524.db2.gz LBVDMVZJBDLASS-CYBMUJFWSA-N 0 3 279.380 2.283 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000797070861 630124050 /nfs/dbraw/zinc/12/40/50/630124050.db2.gz NFVGBHOYDRCUAN-RYUDHWBXSA-N 0 3 297.420 2.317 20 10 CECDHN COc1cc(C)cc(CN[C@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000895445707 630194556 /nfs/dbraw/zinc/19/45/56/630194556.db2.gz VVFGARGLGGIPIC-PRHODGIISA-N 0 3 293.285 2.111 20 10 CECDHN COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000895459736 630201768 /nfs/dbraw/zinc/20/17/68/630201768.db2.gz HNBOMDFUJUJMDN-WOPDTQHZSA-N 0 3 263.337 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CCO[C@H](C)CC2)c([O-])c1 ZINC000896586218 630605205 /nfs/dbraw/zinc/60/52/05/630605205.db2.gz XULWFHBIZYRZHJ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCO[C@H](C)CC2)c([O-])c1 ZINC000896586218 630605202 /nfs/dbraw/zinc/60/52/02/630605202.db2.gz XULWFHBIZYRZHJ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3cc(F)ccc3[O-])C[C@@H]2O1 ZINC000897050111 630910067 /nfs/dbraw/zinc/91/00/67/630910067.db2.gz OMFWPWGXBGNFAJ-DEZZGGKRSA-N 0 3 281.327 2.303 20 10 CECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3[O-])[C@H]2C1 ZINC000808445183 631964189 /nfs/dbraw/zinc/96/41/89/631964189.db2.gz AIIWYUARLCKPMM-HRCADAONSA-N 0 3 288.391 2.129 20 10 CECDHN OC[C@@H]1COc2ccccc2[C@@H]1NCc1ccccc1O ZINC000897950736 631988519 /nfs/dbraw/zinc/98/85/19/631988519.db2.gz QMNYLXRORCJECF-CXAGYDPISA-N 0 3 285.343 2.224 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cnn2ccccc12 ZINC000809700763 632130373 /nfs/dbraw/zinc/13/03/73/632130373.db2.gz NRJZPDRULKVTIZ-UHFFFAOYSA-N 0 3 271.295 2.469 20 10 CECDHN Cc1cc(O)c(CNCc2cnc3n2CCOC3)cc1C ZINC000898270810 632140156 /nfs/dbraw/zinc/14/01/56/632140156.db2.gz NTUYVIFGRIDOAP-UHFFFAOYSA-N 0 3 287.363 2.026 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCC1(F)F ZINC000811780534 632444821 /nfs/dbraw/zinc/44/48/21/632444821.db2.gz OKYWLVRPEXVOBP-RNCFNFMXSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCC1(F)F ZINC000811780534 632444826 /nfs/dbraw/zinc/44/48/26/632444826.db2.gz OKYWLVRPEXVOBP-RNCFNFMXSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@@H]3O)CCC1(F)F ZINC000811780534 632444830 /nfs/dbraw/zinc/44/48/30/632444830.db2.gz OKYWLVRPEXVOBP-RNCFNFMXSA-N 0 3 299.317 2.295 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC2COCCOC2)cc1 ZINC000813879627 632751393 /nfs/dbraw/zinc/75/13/93/632751393.db2.gz OIQMSSAKSNBFBP-CYBMUJFWSA-N 0 3 278.396 2.209 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c([O-])cccc1OC ZINC000814301478 632821401 /nfs/dbraw/zinc/82/14/01/632821401.db2.gz UPMKYSKACLZTRR-GFCCVEGCSA-N 0 3 294.395 2.043 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000815160151 632974541 /nfs/dbraw/zinc/97/45/41/632974541.db2.gz REFUBIURYZWWTE-ABAIWWIYSA-N 0 3 265.353 2.042 20 10 CECDHN NC(=O)C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000816652795 633457707 /nfs/dbraw/zinc/45/77/07/633457707.db2.gz UPLQFLDMKYVNLB-CQSZACIVSA-N 0 3 288.322 2.238 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnccc1N ZINC000817896524 633758192 /nfs/dbraw/zinc/75/81/92/633758192.db2.gz JESNOMIGMDFOMI-GFCCVEGCSA-N 0 3 270.380 2.411 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817944900 633792642 /nfs/dbraw/zinc/79/26/42/633792642.db2.gz OSXWHUNMVTXRJR-PSASIEDQSA-N 0 3 285.185 2.167 20 10 CECDHN CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817954594 633798659 /nfs/dbraw/zinc/79/86/59/633798659.db2.gz ZMDVMWFKTLKAMD-WCQYABFASA-N 0 3 252.333 2.324 20 10 CECDHN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000817969039 633811895 /nfs/dbraw/zinc/81/18/95/633811895.db2.gz QGVQPWKLNJIEFD-NRUUGDAUSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@@H](NC[C@H](C)[NH3+])c1cc(Br)c(F)cc1[O-] ZINC000817973454 633817730 /nfs/dbraw/zinc/81/77/30/633817730.db2.gz UCMPBEUIHOOPHI-NKWVEPMBSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H](N[C@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978414 633821423 /nfs/dbraw/zinc/82/14/23/633821423.db2.gz ANDODRPTPCNCFF-RISCZKNCSA-N 0 3 283.366 2.400 20 10 CECDHN CC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1[O-] ZINC000817977729 633821557 /nfs/dbraw/zinc/82/15/57/633821557.db2.gz NTGHMKRVJGYGJE-DNIRFERGSA-N 0 3 266.772 2.304 20 10 CECDHN COc1ccc(N2CC[C@@H](CNCc3cc[nH]n3)C2)cc1 ZINC000818222349 633888547 /nfs/dbraw/zinc/88/85/47/633888547.db2.gz XQUHVDJHLGPIKU-ZDUSSCGKSA-N 0 3 286.379 2.034 20 10 CECDHN COc1cccc(O)c1CN1CC(CC(F)F)C1 ZINC000822520834 634936422 /nfs/dbraw/zinc/93/64/22/634936422.db2.gz PWZNLTWZTZZHDX-UHFFFAOYSA-N 0 3 257.280 2.488 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[O-] ZINC000822812847 635001391 /nfs/dbraw/zinc/00/13/91/635001391.db2.gz OHEPJQQDASXVIW-DGCLKSJQSA-N 0 3 276.380 2.442 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124605 635573301 /nfs/dbraw/zinc/57/33/01/635573301.db2.gz TZSAZKXYJZJPMQ-PWSUYJOCSA-N 0 3 275.270 2.137 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124605 635573308 /nfs/dbraw/zinc/57/33/08/635573308.db2.gz TZSAZKXYJZJPMQ-PWSUYJOCSA-N 0 3 275.270 2.137 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000827826592 636435625 /nfs/dbraw/zinc/43/56/25/636435625.db2.gz JCGRAQKNBQDOBY-XYPYZODXSA-N 0 3 286.169 2.076 20 10 CECDHN Cc1cccc(CN2CCc3c(cccc3C(N)=O)C2)c1O ZINC000827839393 636439888 /nfs/dbraw/zinc/43/98/88/636439888.db2.gz RXLXPNHVGUCUBC-UHFFFAOYSA-N 0 3 296.370 2.358 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834667882 637912336 /nfs/dbraw/zinc/91/23/36/637912336.db2.gz CPLIKRGHCCOIDC-WCQYABFASA-N 0 3 265.353 2.021 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)c1cccnc1)CC2 ZINC000834803014 637956056 /nfs/dbraw/zinc/95/60/56/637956056.db2.gz IGBHMXAPDDNEBC-LSDHHAIUSA-N 0 3 284.359 2.140 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C)cc1[O-] ZINC000834892554 637980032 /nfs/dbraw/zinc/98/00/32/637980032.db2.gz WAILKCSOHDAEPZ-TZMCWYRMSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000834904633 637982683 /nfs/dbraw/zinc/98/26/83/637982683.db2.gz ANMUZPOEPFPZJQ-SDNRWEOFSA-N 0 3 251.301 2.193 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000834911807 637986200 /nfs/dbraw/zinc/98/62/00/637986200.db2.gz BDONDGDUFBKQSI-SUHUHFCYSA-N 0 3 292.354 2.335 20 10 CECDHN COC(=O)CC[N@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876733080 650413008 /nfs/dbraw/zinc/41/30/08/650413008.db2.gz NNTQYHMNPTVMJV-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN COC(=O)CC[N@@H+](Cc1ccc(C)cc1[O-])C(C)C ZINC000876733080 650413010 /nfs/dbraw/zinc/41/30/10/650413010.db2.gz NNTQYHMNPTVMJV-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([O-])c1 ZINC000876796664 650436771 /nfs/dbraw/zinc/43/67/71/650436771.db2.gz HPORZRNHJOESFF-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c([O-])c1 ZINC000876796664 650436772 /nfs/dbraw/zinc/43/67/72/650436772.db2.gz HPORZRNHJOESFF-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN(C3CC3)CC2)c([O-])c1 ZINC000876909571 650482488 /nfs/dbraw/zinc/48/24/88/650482488.db2.gz BRPFLCBYIMIGGH-UHFFFAOYSA-N 0 3 260.381 2.417 20 10 CECDHN CCN(CC)C(=O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876932216 650491668 /nfs/dbraw/zinc/49/16/68/650491668.db2.gz HHOLTLUWGYZCED-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@@H](C)O)c1[O-] ZINC000228677788 639652822 /nfs/dbraw/zinc/65/28/22/639652822.db2.gz KFOFEGHTMZISMZ-DTWKUNHWSA-N 0 3 273.760 2.303 20 10 CECDHN CC(C)NC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000228929764 639665916 /nfs/dbraw/zinc/66/59/16/639665916.db2.gz ILNVPJBTZVLAEC-CHWSQXEVSA-N 0 3 277.412 2.316 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000876991109 650522767 /nfs/dbraw/zinc/52/27/67/650522767.db2.gz HJTNPPLRZKIRGE-LLVKDONJSA-N 0 3 288.313 2.427 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1[O-] ZINC000230935027 639804610 /nfs/dbraw/zinc/80/46/10/639804610.db2.gz DVUVYYHTPKLIHA-BXKDBHETSA-N 0 3 285.771 2.305 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2ccnn2C)c1[O-] ZINC000231036754 639823538 /nfs/dbraw/zinc/82/35/38/639823538.db2.gz ATTCMAKCPKMWIU-UHFFFAOYSA-N 0 3 295.770 2.120 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841892190 639901441 /nfs/dbraw/zinc/90/14/41/639901441.db2.gz UJJDJLVQGPLXRC-GSJFWJNXSA-N 0 3 271.744 2.057 20 10 CECDHN Cc1ccc(C[NH2+]CCN(C)CC(F)(F)F)c([O-])c1 ZINC000877026833 650537154 /nfs/dbraw/zinc/53/71/54/650537154.db2.gz GFMUFYZWHOMLTK-UHFFFAOYSA-N 0 3 276.302 2.284 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCOc1cccnc1 ZINC000877038252 650542169 /nfs/dbraw/zinc/54/21/69/650542169.db2.gz KRJAEPNHCKWYLV-UHFFFAOYSA-N 0 3 258.321 2.264 20 10 CECDHN Cc1ccc([C@H](O)C[NH2+]Cc2c(C)cccc2[O-])o1 ZINC000877060306 650554621 /nfs/dbraw/zinc/55/46/21/650554621.db2.gz WTKAUKVAOKOWLS-CQSZACIVSA-N 0 3 261.321 2.425 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000843118688 640288247 /nfs/dbraw/zinc/28/82/47/640288247.db2.gz MMIDOQYJGSMUPD-OAHLLOKOSA-N 0 3 264.344 2.107 20 10 CECDHN Cc1cncc(CC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000844313013 640673718 /nfs/dbraw/zinc/67/37/18/640673718.db2.gz PPWUOZZRSUAUIT-GFCCVEGCSA-N 0 3 257.337 2.384 20 10 CECDHN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846017898 641152795 /nfs/dbraw/zinc/15/27/95/641152795.db2.gz RBXUQBSZSORFCQ-MFKMUULPSA-N 0 3 255.333 2.418 20 10 CECDHN COc1cccc([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141265 641199133 /nfs/dbraw/zinc/19/91/33/641199133.db2.gz HEQXJJMHCBHBDA-MNOVXSKESA-N 0 3 294.395 2.355 20 10 CECDHN COc1cccc([C@H](C)NCc2cc(C)nn2C)c1O ZINC000846168117 641210623 /nfs/dbraw/zinc/21/06/23/641210623.db2.gz QZCGNPVJVSSJHW-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2[O-] ZINC000846205113 641220214 /nfs/dbraw/zinc/22/02/14/641220214.db2.gz FAVAIJPBWWLUNQ-JQWIXIFHSA-N 0 3 292.354 2.292 20 10 CECDHN CC(C)CC[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000877257431 650645142 /nfs/dbraw/zinc/64/51/42/650645142.db2.gz PYLOIQRDNCWWEL-AAEUAGOBSA-N 0 3 264.369 2.333 20 10 CECDHN O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccccc2[O-])cc1 ZINC000068989512 641489323 /nfs/dbraw/zinc/48/93/23/641489323.db2.gz BLKAKVCYTPGGFO-UHFFFAOYSA-N 0 3 288.303 2.469 20 10 CECDHN COc1ccc(O)c([C@H](C)NCC(=O)NC2CCCC2)c1 ZINC000182459962 641663089 /nfs/dbraw/zinc/66/30/89/641663089.db2.gz IAYVVRQAIYLRRP-NSHDSACASA-N 0 3 292.379 2.110 20 10 CECDHN OCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000227458916 641692990 /nfs/dbraw/zinc/69/29/90/641692990.db2.gz NQOVLQGCQOWAPE-UHFFFAOYSA-N 0 3 269.344 2.404 20 10 CECDHN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccccc1[O-] ZINC000183602778 641770336 /nfs/dbraw/zinc/77/03/36/641770336.db2.gz FBXJBYUWLHHKHH-LLVKDONJSA-N 0 3 285.409 2.256 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccnn2C)c([O-])c1 ZINC000184011846 641827976 /nfs/dbraw/zinc/82/79/76/641827976.db2.gz YSCXWGHXWKTVSJ-GFCCVEGCSA-N 0 3 259.353 2.327 20 10 CECDHN [NH3+]C[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000848716058 642110126 /nfs/dbraw/zinc/11/01/26/642110126.db2.gz SNLHITAPLZAUTO-VIFPVBQESA-N 0 3 268.666 2.025 20 10 CECDHN CCNC(=O)C1(C[NH2+]Cc2c(C)cccc2[O-])CCC1 ZINC000877475326 650738920 /nfs/dbraw/zinc/73/89/20/650738920.db2.gz OUWZUZGNBKFCLO-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN Cc1cccc(O)c1CN1CCN(c2nccnc2C)CC1 ZINC000877501017 650753681 /nfs/dbraw/zinc/75/36/81/650753681.db2.gz LBQVKKSSFPUEEH-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CN(C)c1ccc(CNCc2cnn3c2CCC3)cc1 ZINC000850010453 642540328 /nfs/dbraw/zinc/54/03/28/642540328.db2.gz CTOZYZAJLLBZJX-UHFFFAOYSA-N 0 3 270.380 2.185 20 10 CECDHN Cn1ncc(C2CC2)c1C[NH2+]Cc1ccccc1[O-] ZINC000850113343 642584405 /nfs/dbraw/zinc/58/44/05/642584405.db2.gz CWESOSOKHHUTNL-UHFFFAOYSA-N 0 3 257.337 2.293 20 10 CECDHN Cc1c[nH]c(CNCCCSc2nccs2)n1 ZINC000850147001 642594367 /nfs/dbraw/zinc/59/43/67/642594367.db2.gz URHPIWSXTSUNCU-UHFFFAOYSA-N 0 3 268.411 2.447 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000877528573 650769679 /nfs/dbraw/zinc/76/96/79/650769679.db2.gz DUSURNLQBXJJRQ-ZDUSSCGKSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000877528573 650769683 /nfs/dbraw/zinc/76/96/83/650769683.db2.gz DUSURNLQBXJJRQ-ZDUSSCGKSA-N 0 3 271.364 2.424 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000850577579 642756360 /nfs/dbraw/zinc/75/63/60/642756360.db2.gz ANMUZPOEPFPZJQ-KBIXCLLPSA-N 0 3 251.301 2.193 20 10 CECDHN CCCN1C[C@H](C[NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877594681 650806314 /nfs/dbraw/zinc/80/63/14/650806314.db2.gz ISEUGPDHWOEKJE-ZDUSSCGKSA-N 0 3 276.380 2.049 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCCCO1 ZINC000922816970 643280586 /nfs/dbraw/zinc/28/05/86/643280586.db2.gz LVHIRFISPJXDQU-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c([O-])c1 ZINC000877681031 650846146 /nfs/dbraw/zinc/84/61/46/650846146.db2.gz COSAGMUZOMSIGN-UNPMEBSKSA-N 0 3 259.349 2.214 20 10 CECDHN CNC(=O)CCN(Cc1ccco1)Cc1ccccc1O ZINC000111232746 643732465 /nfs/dbraw/zinc/73/24/65/643732465.db2.gz GXSKPDVKCWABSW-UHFFFAOYSA-N 0 3 288.347 2.124 20 10 CECDHN CC1(C)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000877717677 650868093 /nfs/dbraw/zinc/86/80/93/650868093.db2.gz PBEOIMYZVJCKAI-UHFFFAOYSA-N 0 3 260.381 2.365 20 10 CECDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1COCCO1 ZINC000853558893 643812614 /nfs/dbraw/zinc/81/26/14/643812614.db2.gz LAKOIBJDOYHTII-AWEZNQCLSA-N 0 3 287.359 2.393 20 10 CECDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@H]1COCCO1 ZINC000853558893 643812621 /nfs/dbraw/zinc/81/26/21/643812621.db2.gz LAKOIBJDOYHTII-AWEZNQCLSA-N 0 3 287.359 2.393 20 10 CECDHN COC(=O)C1CC([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000877721822 650869957 /nfs/dbraw/zinc/86/99/57/650869957.db2.gz COZUMBBPZLWQMZ-UHFFFAOYSA-N 0 3 299.754 2.095 20 10 CECDHN C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([O-])cs1)C2 ZINC000854735513 644147190 /nfs/dbraw/zinc/14/71/90/644147190.db2.gz RDCRQOBALKWYKK-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cc([O-])cs1)C2 ZINC000854735513 644147195 /nfs/dbraw/zinc/14/71/95/644147195.db2.gz RDCRQOBALKWYKK-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN CN1CC[C@@]2(C1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000854735513 644147198 /nfs/dbraw/zinc/14/71/98/644147198.db2.gz RDCRQOBALKWYKK-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@H]3COC[C@@H]32)cc1OC ZINC000839187948 644184158 /nfs/dbraw/zinc/18/41/58/644184158.db2.gz RSJBJCKAXSJJEU-YPMHNXCESA-N 0 3 293.363 2.020 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2[O-] ZINC000756638147 644676884 /nfs/dbraw/zinc/67/68/84/644676884.db2.gz RSXCFCWHAIGNDF-MWLCHTKSSA-N 0 3 265.328 2.442 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756768100 644690457 /nfs/dbraw/zinc/69/04/57/644690457.db2.gz JKRBQEIVVNALIN-KKZNHRDASA-N 0 3 251.301 2.458 20 10 CECDHN CC(C)N(C)CC(=O)NCCCSc1nccs1 ZINC000114376035 644694847 /nfs/dbraw/zinc/69/48/47/644694847.db2.gz CDLDTHNOXKRWKW-UHFFFAOYSA-N 0 3 287.454 2.082 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000857060665 644806024 /nfs/dbraw/zinc/80/60/24/644806024.db2.gz DIFABNXPOYCYPV-GXTWGEPZSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000857060665 644806026 /nfs/dbraw/zinc/80/60/26/644806026.db2.gz DIFABNXPOYCYPV-GXTWGEPZSA-N 0 3 279.380 2.241 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCOCC2)c([O-])c1 ZINC000757660052 644832757 /nfs/dbraw/zinc/83/27/57/644832757.db2.gz ZFYCLKMMDBKIJW-WFASDCNBSA-N 0 3 279.380 2.139 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c([O-])c1 ZINC000759294552 645008097 /nfs/dbraw/zinc/00/80/97/645008097.db2.gz QDPCYPUBABPVKS-MQMHXKEQSA-N 0 3 279.380 2.432 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000858331473 645121423 /nfs/dbraw/zinc/12/14/23/645121423.db2.gz YACHQINXZMBAJB-VDISTLRHSA-N 0 3 265.353 2.306 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000858472086 645172036 /nfs/dbraw/zinc/17/20/36/645172036.db2.gz FRZNOMHHKPBIAT-ZYHUDNBSSA-N 0 3 261.321 2.305 20 10 CECDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768451036 646125372 /nfs/dbraw/zinc/12/53/72/646125372.db2.gz LLRITDQHUCUULT-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768451036 646125373 /nfs/dbraw/zinc/12/53/73/646125373.db2.gz LLRITDQHUCUULT-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@H](O)CO2 ZINC000768465235 646128504 /nfs/dbraw/zinc/12/85/04/646128504.db2.gz YQQMPBBACLSBMJ-BFQNTYOBSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@H](O)CO2 ZINC000768465235 646128508 /nfs/dbraw/zinc/12/85/08/646128508.db2.gz YQQMPBBACLSBMJ-BFQNTYOBSA-N 0 3 289.375 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000769540397 646284852 /nfs/dbraw/zinc/28/48/52/646284852.db2.gz OGUHLPDOABIICL-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000769540397 646284856 /nfs/dbraw/zinc/28/48/56/646284856.db2.gz OGUHLPDOABIICL-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCN(C)c1ccc(CNC2(C(=O)NC)CCCC2)cc1 ZINC000773774260 646775731 /nfs/dbraw/zinc/77/57/31/646775731.db2.gz SQYXCLQRQCDHFS-UHFFFAOYSA-N 0 3 289.423 2.291 20 10 CECDHN CCc1nncn1CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000775511107 646961440 /nfs/dbraw/zinc/96/14/40/646961440.db2.gz BIVFDWWILFHTFX-ZDUSSCGKSA-N 0 3 274.368 2.287 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC[C@H]1C(=O)NC)c1ccccc1[O-] ZINC000775523918 646962647 /nfs/dbraw/zinc/96/26/47/646962647.db2.gz BAWQNVOWYZOJAP-RDBSUJKOSA-N 0 3 276.380 2.348 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000776220361 647038206 /nfs/dbraw/zinc/03/82/06/647038206.db2.gz WJXPZFGRSFFJHO-WCQYABFASA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780892560 647478373 /nfs/dbraw/zinc/47/83/73/647478373.db2.gz LMXJPXRDSUUMQH-CHWSQXEVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780892560 647478376 /nfs/dbraw/zinc/47/83/76/647478376.db2.gz LMXJPXRDSUUMQH-CHWSQXEVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000782977136 647667324 /nfs/dbraw/zinc/66/73/24/647667324.db2.gz BYRIHBZSDVLKOB-WDEREUQCSA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H]([NH2+]CCCN1CCCCC1=O)c1ccccc1[O-] ZINC000783509801 647723357 /nfs/dbraw/zinc/72/33/57/647723357.db2.gz SZRIUQLXRNZOQB-ZDUSSCGKSA-N 0 3 276.380 2.445 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000866415922 647779796 /nfs/dbraw/zinc/77/97/96/647779796.db2.gz IKSAVTGBIUBVEL-UXCLJVHYSA-N 0 3 265.328 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000784667834 647873880 /nfs/dbraw/zinc/87/38/80/647873880.db2.gz MDOWUUKXESGVFV-XHDPSFHLSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000784667834 647873886 /nfs/dbraw/zinc/87/38/86/647873886.db2.gz MDOWUUKXESGVFV-XHDPSFHLSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000793215601 648725009 /nfs/dbraw/zinc/72/50/09/648725009.db2.gz CEOZCUXPBIEYJB-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000793215601 648725013 /nfs/dbraw/zinc/72/50/13/648725013.db2.gz CEOZCUXPBIEYJB-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN CNC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000020093210 649724222 /nfs/dbraw/zinc/72/42/22/649724222.db2.gz XPHAEFZRZZMKKQ-UHFFFAOYSA-N 0 3 270.332 2.042 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1[O-] ZINC000879650410 651335782 /nfs/dbraw/zinc/33/57/82/651335782.db2.gz ZYAHQMPHQMNQQS-UONOGXRCSA-N 0 3 293.407 2.489 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CCOC2)c1[O-] ZINC000133489789 652634549 /nfs/dbraw/zinc/63/45/49/652634549.db2.gz YKMQKTNYAMRMQT-LLVKDONJSA-N 0 3 286.169 2.342 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC001140057728 802549649 /nfs/dbraw/zinc/54/96/49/802549649.db2.gz LJOAXTFMIMDZBC-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC001140057728 802549655 /nfs/dbraw/zinc/54/96/55/802549655.db2.gz LJOAXTFMIMDZBC-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1[O-] ZINC000690724252 802881046 /nfs/dbraw/zinc/88/10/46/802881046.db2.gz DQSFWHOYFDLCGS-CABZTGNLSA-N 0 3 257.280 2.467 20 10 CECDHN CC[N@H+](CCN(C)C)Cc1cc(Cl)ccc1[O-] ZINC000708351714 803325815 /nfs/dbraw/zinc/32/58/15/803325815.db2.gz ATIKJSBVZFIDSI-UHFFFAOYSA-N 0 3 256.777 2.429 20 10 CECDHN CC[N@@H+](CCN(C)C)Cc1cc(Cl)ccc1[O-] ZINC000708351714 803325820 /nfs/dbraw/zinc/32/58/20/803325820.db2.gz ATIKJSBVZFIDSI-UHFFFAOYSA-N 0 3 256.777 2.429 20 10 CECDHN C[C@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000692808919 803928162 /nfs/dbraw/zinc/92/81/62/803928162.db2.gz UAHAHJLBLFRKQR-LBPRGKRZSA-N 0 3 297.420 2.258 20 10 CECDHN Cc1cc([O-])c(CN2CCC[NH2+]CC2)cc1Cl ZINC001204674810 804531570 /nfs/dbraw/zinc/53/15/70/804531570.db2.gz FPKSCODQKSAYNH-UHFFFAOYSA-N 0 3 254.761 2.149 20 10 CECDHN CC(C)(C)CNC(=O)C(C)(C)NCc1ccc(N)cc1 ZINC001120371358 815217640 /nfs/dbraw/zinc/21/76/40/815217640.db2.gz WUIBWHPIMOLXJS-UHFFFAOYSA-N 0 3 277.412 2.299 20 10 CECDHN C[C@@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673985 808862382 /nfs/dbraw/zinc/86/23/82/808862382.db2.gz QICMWGHIJBCKBL-WBMJQRKESA-N 0 3 287.407 2.167 20 10 CECDHN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000702613513 809571269 /nfs/dbraw/zinc/57/12/69/809571269.db2.gz XIVCEAMLDXTSNO-GASCZTMLSA-N 0 3 280.799 2.477 20 10 CECDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003723 815376975 /nfs/dbraw/zinc/37/69/75/815376975.db2.gz GBTDTSCCOGKYKE-BLLLJJGKSA-N 0 3 291.439 2.441 20 10 CECDHN CC1(C)C[C@@H](N2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001172293862 815384602 /nfs/dbraw/zinc/38/46/02/815384602.db2.gz SXGIBIOMRAQCDW-CYBMUJFWSA-N 0 3 277.364 2.414 20 10 CECDHN CN(C)Cc1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990286 811852060 /nfs/dbraw/zinc/85/20/60/811852060.db2.gz DVWPOPGRLGNRCF-UHFFFAOYSA-N 0 3 273.336 2.167 20 10 CECDHN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001172777334 815517956 /nfs/dbraw/zinc/51/79/56/815517956.db2.gz PRSODUAFJGSOCW-AAEUAGOBSA-N 0 3 293.363 2.309 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(C3CC3)C1)CC2 ZINC000389088052 813246616 /nfs/dbraw/zinc/24/66/16/813246616.db2.gz FYPYJFSWNCJGBK-TZMCWYRMSA-N 0 3 258.365 2.206 20 10 CECDHN Oc1cccc2c1CN(Cc1ccc3nonc3c1)CC2 ZINC001139221963 815990384 /nfs/dbraw/zinc/99/03/84/815990384.db2.gz DQZDUSDCZMMRSI-UHFFFAOYSA-N 0 3 281.315 2.487 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@@H]1O ZINC001140057417 816179691 /nfs/dbraw/zinc/17/96/91/816179691.db2.gz GXOKWZWMUQSGNP-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@@H]1O ZINC001140057417 816179693 /nfs/dbraw/zinc/17/96/93/816179693.db2.gz GXOKWZWMUQSGNP-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C)c(CN2CCN(CCF)CC2)c1O ZINC001140182106 816205291 /nfs/dbraw/zinc/20/52/91/816205291.db2.gz JHTLCZVUEQUKOQ-UHFFFAOYSA-N 0 3 266.360 2.096 20 10 CECDHN COC1C[C@@H]2COC[C@H](C1)N2Cc1c(C)ccc(C)c1O ZINC001140180587 816205349 /nfs/dbraw/zinc/20/53/49/816205349.db2.gz ZFRFKSJSWISYHG-YIONKMFJSA-N 0 3 291.391 2.387 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957536 816425385 /nfs/dbraw/zinc/42/53/85/816425385.db2.gz CYGPMPGBTWUTRP-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957536 816425387 /nfs/dbraw/zinc/42/53/87/816425387.db2.gz CYGPMPGBTWUTRP-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c(OC)c1 ZINC001141029457 816450416 /nfs/dbraw/zinc/45/04/16/816450416.db2.gz SGXQVJXJXGBMBV-HNNXBMFYSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C(C)(C)O)c(OC)c1 ZINC001141029457 816450417 /nfs/dbraw/zinc/45/04/17/816450417.db2.gz SGXQVJXJXGBMBV-HNNXBMFYSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C2CCOCC2)c(OC)c1 ZINC001141032189 816453205 /nfs/dbraw/zinc/45/32/05/816453205.db2.gz VENBZZDLIBQHPU-UHFFFAOYSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C2CCOCC2)c(OC)c1 ZINC001141032189 816453206 /nfs/dbraw/zinc/45/32/06/816453206.db2.gz VENBZZDLIBQHPU-UHFFFAOYSA-N 0 3 281.352 2.020 20 10 CECDHN OCCN(Cc1ccccc1)Cc1cc(O)ccc1O ZINC001141155609 816488915 /nfs/dbraw/zinc/48/89/15/816488915.db2.gz AYUMRZZPTUGFFQ-UHFFFAOYSA-N 0 3 273.332 2.092 20 10 CECDHN CCCCCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158670 816489918 /nfs/dbraw/zinc/48/99/18/816489918.db2.gz JBUXLDNFLHPNOH-UHFFFAOYSA-N 0 3 278.396 2.406 20 10 CECDHN Cc1nc([C@@H]2CCCN(Cc3cc(O)ccc3O)C2)no1 ZINC001141156695 816489950 /nfs/dbraw/zinc/48/99/50/816489950.db2.gz QVPXPTUUXQFDIV-LLVKDONJSA-N 0 3 289.335 2.169 20 10 CECDHN CCCNC(=O)CNCc1ccc(N(CC)CC)cc1 ZINC000035134110 361819833 /nfs/dbraw/zinc/81/98/33/361819833.db2.gz CNWPVEWKPJTMDA-UHFFFAOYSA-N 0 3 277.412 2.149 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000042814613 362122598 /nfs/dbraw/zinc/12/25/98/362122598.db2.gz OMIOBCDNGYYNRB-CYBMUJFWSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC000179445111 344504731 /nfs/dbraw/zinc/50/47/31/344504731.db2.gz UBDKTDMMIKBJKC-TXEJJXNPSA-N 0 3 277.364 2.497 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1OC ZINC000179445111 344504734 /nfs/dbraw/zinc/50/47/34/344504734.db2.gz UBDKTDMMIKBJKC-TXEJJXNPSA-N 0 3 277.364 2.497 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626969 344684398 /nfs/dbraw/zinc/68/43/98/344684398.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 0 3 278.396 2.173 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626969 344684400 /nfs/dbraw/zinc/68/44/00/344684400.db2.gz XOWGWACDBOMLPG-SWLSCSKDSA-N 0 3 278.396 2.173 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2ccccn2)c1 ZINC000020089323 361577044 /nfs/dbraw/zinc/57/70/44/361577044.db2.gz BICLKDFBCLOHBS-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN CC(C)N1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729018 363995872 /nfs/dbraw/zinc/99/58/72/363995872.db2.gz ROMNGQXXKAVRHQ-CZUORRHYSA-N 0 3 289.423 2.413 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000092070683 364075722 /nfs/dbraw/zinc/07/57/22/364075722.db2.gz UBQRKQRMMBYKTN-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000092070683 364075729 /nfs/dbraw/zinc/07/57/29/364075729.db2.gz UBQRKQRMMBYKTN-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN [O-]c1cccc(Cl)c1C[NH2+]CCCCN1CCOCC1 ZINC000113322831 364887195 /nfs/dbraw/zinc/88/71/95/364887195.db2.gz XYKMXWIPLNZHQL-UHFFFAOYSA-N 0 3 298.814 2.248 20 10 CECDHN CCOC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000159179961 366885385 /nfs/dbraw/zinc/88/53/85/366885385.db2.gz UZCJSISJKOODFE-UHFFFAOYSA-N 0 3 267.325 2.026 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180195631 368371918 /nfs/dbraw/zinc/37/19/18/368371918.db2.gz SBJIIRCDTUOPPZ-LBPRGKRZSA-N 0 3 267.300 2.059 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180195631 368371920 /nfs/dbraw/zinc/37/19/20/368371920.db2.gz SBJIIRCDTUOPPZ-LBPRGKRZSA-N 0 3 267.300 2.059 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023884 368362851 /nfs/dbraw/zinc/36/28/51/368362851.db2.gz HHZOQAWYZAVWFU-UHFFFAOYSA-N 0 3 298.814 2.118 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)CCN2CCOCC2)c1[O-] ZINC000180023884 368362854 /nfs/dbraw/zinc/36/28/54/368362854.db2.gz HHZOQAWYZAVWFU-UHFFFAOYSA-N 0 3 298.814 2.118 20 10 CECDHN CN(C)C(=O)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000180333416 368377112 /nfs/dbraw/zinc/37/71/12/368377112.db2.gz REGYLWKRNOYTOZ-UHFFFAOYSA-N 0 3 276.380 2.083 20 10 CECDHN Cc1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000180405486 368379582 /nfs/dbraw/zinc/37/95/82/368379582.db2.gz PWTCZOVXKKHIMG-LBPRGKRZSA-N 0 3 275.270 2.200 20 10 CECDHN CCC(O)(CC)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000181255487 368437011 /nfs/dbraw/zinc/43/70/11/368437011.db2.gz KVFIEHCTLCMVLZ-UHFFFAOYSA-N 0 3 283.368 2.050 20 10 CECDHN C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000185116528 368750379 /nfs/dbraw/zinc/75/03/79/368750379.db2.gz JNCSEHMUZLCEKX-LBPRGKRZSA-N 0 3 296.386 2.029 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000185828511 368869604 /nfs/dbraw/zinc/86/96/04/368869604.db2.gz IOKSJAKINQZJBD-LQPUYASZSA-N 0 3 265.353 2.208 20 10 CECDHN COC(=O)[C@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000191673997 369732593 /nfs/dbraw/zinc/73/25/93/369732593.db2.gz OLLPWFIICXHRQE-UXIGCNINSA-N 0 3 275.348 2.166 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)CCCO)c1 ZINC000224942022 370284045 /nfs/dbraw/zinc/28/40/45/370284045.db2.gz DMVOXNPQBCDKIZ-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000228847866 370414300 /nfs/dbraw/zinc/41/43/00/370414300.db2.gz OMBBBZUMIWSVCO-QCZZGDTMSA-N 0 3 265.353 2.211 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H](CCO)COC)cc1 ZINC000268995712 372310580 /nfs/dbraw/zinc/31/05/80/372310580.db2.gz IHPWXTVHGRSLDK-ZFWWWQNUSA-N 0 3 280.412 2.191 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317272 373147575 /nfs/dbraw/zinc/14/75/75/373147575.db2.gz JIWFMQIRXFCWBB-CJNGLKHVSA-N 0 3 290.363 2.418 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317272 373147576 /nfs/dbraw/zinc/14/75/76/373147576.db2.gz JIWFMQIRXFCWBB-CJNGLKHVSA-N 0 3 290.363 2.418 20 10 CECDHN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000271460286 373192591 /nfs/dbraw/zinc/19/25/91/373192591.db2.gz XEHLABOXSYVVPS-HOTGVXAUSA-N 0 3 291.391 2.144 20 10 CECDHN CCCNC(=O)CN(CCC)Cc1cccc(C)c1O ZINC000271722379 373199962 /nfs/dbraw/zinc/19/99/62/373199962.db2.gz KLCOUVNGZBSRIV-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN COC(=O)CC[N@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000271898905 373206319 /nfs/dbraw/zinc/20/63/19/373206319.db2.gz YVBKNPMUGFOJBZ-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cccc(C)c1[O-])C(C)C ZINC000271898905 373206328 /nfs/dbraw/zinc/20/63/28/373206328.db2.gz YVBKNPMUGFOJBZ-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1[O-] ZINC000368602878 373249423 /nfs/dbraw/zinc/24/94/23/373249423.db2.gz LIRYWQHBBSHGFY-ZENOOKHLSA-N 0 3 277.364 2.381 20 10 CECDHN C[C@H]1C[C@H](CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000273076499 373746617 /nfs/dbraw/zinc/74/66/17/373746617.db2.gz PPSPDNFXPXACHD-NWDGAFQWSA-N 0 3 293.363 2.416 20 10 CECDHN CNC(=O)CCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273465203 373759749 /nfs/dbraw/zinc/75/97/49/373759749.db2.gz DPEZBKKJZYDLGX-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)OC)c1 ZINC000273568726 373764344 /nfs/dbraw/zinc/76/43/44/373764344.db2.gz KEWCEYQTUXEMRH-QWRGUYRKSA-N 0 3 253.342 2.476 20 10 CECDHN COCC1(C[NH2+]Cc2cc(OC)ccc2[O-])CCC1 ZINC000282622888 375534002 /nfs/dbraw/zinc/53/40/02/375534002.db2.gz YBVOXDJNEAPMSH-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CCCCN(CC(=O)N(C)C)Cc1ccccc1O ZINC000282505028 375501622 /nfs/dbraw/zinc/50/16/22/375501622.db2.gz RHEDFNQTTJQBLJ-UHFFFAOYSA-N 0 3 264.369 2.083 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NC(C)C)c([O-])c1 ZINC000284162723 375819400 /nfs/dbraw/zinc/81/94/00/375819400.db2.gz PXXRMOZKSABISR-GFCCVEGCSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1cc(C)c([C@@H](C)NCC(=O)NC(C)C)c(O)c1 ZINC000284162723 375819406 /nfs/dbraw/zinc/81/94/06/375819406.db2.gz PXXRMOZKSABISR-GFCCVEGCSA-N 0 3 264.369 2.184 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000283963449 375787736 /nfs/dbraw/zinc/78/77/36/375787736.db2.gz FBXJAAGVYPNIAF-JSGCOSHPSA-N 0 3 297.420 2.258 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284277535 375826107 /nfs/dbraw/zinc/82/61/07/375826107.db2.gz XGABCKVNMXJGBC-BBRMVZONSA-N 0 3 281.396 2.447 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000286334437 375918792 /nfs/dbraw/zinc/91/87/92/375918792.db2.gz YBETXTIWWOIRLE-DZGCQCFKSA-N 0 3 296.386 2.029 20 10 CECDHN COc1cccc(C[NH2+]C[C@@](C)(OC)C2CC2)c1[O-] ZINC000291053184 377050585 /nfs/dbraw/zinc/05/05/85/377050585.db2.gz NOUGGVKPWJASQR-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293677661 377693513 /nfs/dbraw/zinc/69/35/13/377693513.db2.gz KDZAZHUYONOCTP-NEPJUHHUSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1cc(CN(C)[C@H](C)C[S@](C)=O)ccc1N(C)C ZINC000294751511 378017835 /nfs/dbraw/zinc/01/78/35/378017835.db2.gz XRDAQTIXPXUOCJ-YJYMSZOUSA-N 0 3 282.453 2.260 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000294983413 378034642 /nfs/dbraw/zinc/03/46/42/378034642.db2.gz GROMCQBHMSLMDK-LBPRGKRZSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1[O-] ZINC000295099594 378042065 /nfs/dbraw/zinc/04/20/65/378042065.db2.gz SNNOBDUABSKFRB-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN CCC[C@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])OC ZINC000295189155 378047909 /nfs/dbraw/zinc/04/79/09/378047909.db2.gz XBJVSQACAZJGKC-GFCCVEGCSA-N 0 3 283.368 2.314 20 10 CECDHN CCn1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000296890245 378657487 /nfs/dbraw/zinc/65/74/87/378657487.db2.gz OMAWLXMOPZDXEM-CYBMUJFWSA-N 0 3 257.337 2.386 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c([O-])c1 ZINC000527956747 379857270 /nfs/dbraw/zinc/85/72/70/379857270.db2.gz PMJBQZPGRMVPGS-QEJZJMRPSA-N 0 3 279.380 2.200 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000311018956 262189397 /nfs/dbraw/zinc/18/93/97/262189397.db2.gz YSBAGUWVARJXJH-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000311018956 262189398 /nfs/dbraw/zinc/18/93/98/262189398.db2.gz YSBAGUWVARJXJH-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCc3nccn3C1)CC2 ZINC000296253560 285396925 /nfs/dbraw/zinc/39/69/25/285396925.db2.gz BJYHTYLRPFJZGU-OCCSQVGLSA-N 0 3 283.375 2.428 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CCN(C)C)c1[O-] ZINC000049553122 394549803 /nfs/dbraw/zinc/54/98/03/394549803.db2.gz JDZWTMXNRZPTNK-GFCCVEGCSA-N 0 3 266.385 2.221 20 10 CECDHN Cc1nc(CC[N@@H+](C)Cc2cc(C)ccc2[O-])no1 ZINC000271141848 394748724 /nfs/dbraw/zinc/74/87/24/394748724.db2.gz ATKQPAIZZFUNHF-UHFFFAOYSA-N 0 3 261.325 2.067 20 10 CECDHN Cc1nc(CC[N@H+](C)Cc2cc(C)ccc2[O-])no1 ZINC000271141848 394748726 /nfs/dbraw/zinc/74/87/26/394748726.db2.gz ATKQPAIZZFUNHF-UHFFFAOYSA-N 0 3 261.325 2.067 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271352584 394754421 /nfs/dbraw/zinc/75/44/21/394754421.db2.gz LRJGEYXBLMPDSJ-CYBMUJFWSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000271352584 394754425 /nfs/dbraw/zinc/75/44/25/394754425.db2.gz LRJGEYXBLMPDSJ-CYBMUJFWSA-N 0 3 257.337 2.495 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000124714340 394839949 /nfs/dbraw/zinc/83/99/49/394839949.db2.gz NHLWZALUFXYLRQ-GFCCVEGCSA-N 0 3 264.369 2.095 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000368333218 394984335 /nfs/dbraw/zinc/98/43/35/394984335.db2.gz QEYCVGUGITYNTD-ZFWWWQNUSA-N 0 3 290.407 2.214 20 10 CECDHN CC(C)(C)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178657137 395172591 /nfs/dbraw/zinc/17/25/91/395172591.db2.gz ZFUBFCLQWYDULK-OAHLLOKOSA-N 0 3 289.423 2.276 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(C)cc1[O-] ZINC000293708321 395247818 /nfs/dbraw/zinc/24/78/18/395247818.db2.gz MPKSXSBQNPFGSR-IPYPFGDCSA-N 0 3 279.380 2.281 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000187985403 395309294 /nfs/dbraw/zinc/30/92/94/395309294.db2.gz KNGNNEMKBUALRY-BXKDBHETSA-N 0 3 285.771 2.305 20 10 CECDHN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1ccccc1[O-] ZINC000183614439 395260917 /nfs/dbraw/zinc/26/09/17/395260917.db2.gz DNWLMQUYEZYPGL-GFCCVEGCSA-N 0 3 276.380 2.349 20 10 CECDHN COc1cccc(C[NH2+]CC[C@H]2CCCO2)c1[O-] ZINC000038095467 174109458 /nfs/dbraw/zinc/10/94/58/174109458.db2.gz KFDJXZOYQQLDLV-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)c2ccsc2)c1[O-] ZINC000219090337 419463635 /nfs/dbraw/zinc/46/36/35/419463635.db2.gz CKOZIGHQGYVDFR-GFCCVEGCSA-N 0 3 279.361 2.286 20 10 CECDHN CC[C@H]([NH2+]CCCN(C)CCOC)c1ccccc1[O-] ZINC000155114101 261098214 /nfs/dbraw/zinc/09/82/14/261098214.db2.gz PRAYOTLGCASLST-HNNXBMFYSA-N 0 3 280.412 2.401 20 10 CECDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@H]1CCCO1 ZINC000159923757 261198344 /nfs/dbraw/zinc/19/83/44/261198344.db2.gz VHVPLBLZZPLSFC-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@H]1CCCO1 ZINC000159923757 261198346 /nfs/dbraw/zinc/19/83/46/261198346.db2.gz VHVPLBLZZPLSFC-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CCN(Cc1cc(OC)c(OC)cc1O)C[C@H]1CCCO1 ZINC000159923757 261198348 /nfs/dbraw/zinc/19/83/48/261198348.db2.gz VHVPLBLZZPLSFC-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168825869 261422095 /nfs/dbraw/zinc/42/20/95/261422095.db2.gz CGESFSRWTWESEG-WDEREUQCSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1ccc(O)c(CN2CCN(Cc3ccncc3)CC2)c1 ZINC000184714551 262027098 /nfs/dbraw/zinc/02/70/98/262027098.db2.gz NJVHNTHPNMDIFU-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000185505292 262057873 /nfs/dbraw/zinc/05/78/73/262057873.db2.gz CFFYKTKPCBHKPE-CABCVRRESA-N 0 3 292.423 2.320 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000185771379 262069804 /nfs/dbraw/zinc/06/98/04/262069804.db2.gz IFHGJSABFSIRSJ-CQSZACIVSA-N 0 3 292.379 2.329 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000186029832 262076567 /nfs/dbraw/zinc/07/65/67/262076567.db2.gz ZMOCEMRNESHUQO-NWDGAFQWSA-N 0 3 285.409 2.174 20 10 CECDHN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186048806 262077579 /nfs/dbraw/zinc/07/75/79/262077579.db2.gz DXLLWGGYJQNATR-GXFFZTMASA-N 0 3 280.343 2.191 20 10 CECDHN C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000186178174 262083555 /nfs/dbraw/zinc/08/35/55/262083555.db2.gz HLFHLRHZPOLXED-SJCJKPOMSA-N 0 3 291.391 2.073 20 10 CECDHN Cc1ncc(/C=C/C(=O)N2C[C@@H](N)Cc3ccccc32)s1 ZINC000493334434 262148455 /nfs/dbraw/zinc/14/84/55/262148455.db2.gz KDCJLSCODHZXKZ-YBJDMEARSA-N 0 3 299.399 2.381 20 10 CECDHN Cc1ccc(O)c(CN2CCN([C@@H]3CCSC3)CC2)c1 ZINC000367535896 267098690 /nfs/dbraw/zinc/09/86/90/267098690.db2.gz NBJSJBYCUFBBEL-OAHLLOKOSA-N 0 3 292.448 2.324 20 10 CECDHN CO[C@H](C)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367821020 267119954 /nfs/dbraw/zinc/11/99/54/267119954.db2.gz MJQYMYJHSFLACY-CYBMUJFWSA-N 0 3 260.381 2.487 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000368041613 267141368 /nfs/dbraw/zinc/14/13/68/267141368.db2.gz UQHMMJKPLBSSGX-DMDPSCGWSA-N 0 3 253.317 2.248 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000368041613 267141371 /nfs/dbraw/zinc/14/13/71/267141371.db2.gz UQHMMJKPLBSSGX-DMDPSCGWSA-N 0 3 253.317 2.248 20 10 CECDHN NC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000377193061 268054462 /nfs/dbraw/zinc/05/44/62/268054462.db2.gz OLQPKPJLHHQPBI-LBPRGKRZSA-N 0 3 284.359 2.243 20 10 CECDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000377193061 268054464 /nfs/dbraw/zinc/05/44/64/268054464.db2.gz OLQPKPJLHHQPBI-LBPRGKRZSA-N 0 3 284.359 2.243 20 10 CECDHN CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000268573872 288103023 /nfs/dbraw/zinc/10/30/23/288103023.db2.gz RQSUQNCUCJUYMU-GJZGRUSLSA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000268573872 288103029 /nfs/dbraw/zinc/10/30/29/288103029.db2.gz RQSUQNCUCJUYMU-GJZGRUSLSA-N 0 3 279.380 2.144 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273359258 280920816 /nfs/dbraw/zinc/92/08/16/280920816.db2.gz ACUFWHADJCXYEG-NEPJUHHUSA-N 0 3 260.341 2.031 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1[O-] ZINC000037782112 280949961 /nfs/dbraw/zinc/94/99/61/280949961.db2.gz WGCDHYYFCQWVOX-JSGCOSHPSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1[O-] ZINC000282504005 327637440 /nfs/dbraw/zinc/63/74/40/327637440.db2.gz YIXAUYMSDLWTMN-SGTLLEGYSA-N 0 3 267.394 2.344 20 10 CECDHN COc1cccc(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1[O-] ZINC000527803579 313204561 /nfs/dbraw/zinc/20/45/61/313204561.db2.gz HAYLNOGZHKUYEA-RMIALFOJSA-N 0 3 265.353 2.302 20 10 CECDHN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000272910657 328201623 /nfs/dbraw/zinc/20/16/23/328201623.db2.gz WNMXMAYFZNAJBN-RYUDHWBXSA-N 0 3 262.353 2.052 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000092253760 327191259 /nfs/dbraw/zinc/19/12/59/327191259.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 0 3 278.396 2.174 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000092253760 327191260 /nfs/dbraw/zinc/19/12/60/327191260.db2.gz BHCUGGIDTIDXLM-CYBMUJFWSA-N 0 3 278.396 2.174 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271259449 327525851 /nfs/dbraw/zinc/52/58/51/327525851.db2.gz AJXZIYVRVQDTRB-NWDGAFQWSA-N 0 3 265.353 2.306 20 10 CECDHN [O-]c1c(Cl)cccc1C[N@@H+]1CCN2CCC1CC2 ZINC000377624635 329021332 /nfs/dbraw/zinc/02/13/32/329021332.db2.gz LFWQONREUQDYIT-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN [O-]c1c(Cl)cccc1C[N@H+]1CCN2CCC1CC2 ZINC000377624635 329021333 /nfs/dbraw/zinc/02/13/33/329021333.db2.gz LFWQONREUQDYIT-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000186115100 329338239 /nfs/dbraw/zinc/33/82/39/329338239.db2.gz ZVOMIEFVOHYSTR-ZYHUDNBSSA-N 0 3 287.363 2.332 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190344193 329395258 /nfs/dbraw/zinc/39/52/58/329395258.db2.gz AUVCDYRXAOSFBO-FMKPAKJESA-N 0 3 277.364 2.448 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c([O-])c1 ZINC000252538503 334382224 /nfs/dbraw/zinc/38/22/24/334382224.db2.gz AQEPXKZNEPWJBO-SOUVJXGZSA-N 0 3 290.407 2.214 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000230315199 333316279 /nfs/dbraw/zinc/31/62/79/333316279.db2.gz BNADWILIVRETDL-CJNGLKHVSA-N 0 3 277.364 2.448 20 10 CECDHN CCOCCOCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000276213081 519993900 /nfs/dbraw/zinc/99/39/00/519993900.db2.gz PNOHWZMWFFYJDH-UHFFFAOYSA-N 0 3 298.402 2.377 20 10 CECDHN CCN(CC)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159701 520576588 /nfs/dbraw/zinc/57/65/88/520576588.db2.gz UKHFKGGDHGEXCG-UHFFFAOYSA-N 0 3 290.407 2.229 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C(C)C)cc1F ZINC000269267215 520904010 /nfs/dbraw/zinc/90/40/10/520904010.db2.gz PXVSETRGMDFFGZ-OAHLLOKOSA-N 0 3 295.402 2.271 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293196510 521150237 /nfs/dbraw/zinc/15/02/37/521150237.db2.gz XKOASRBXMZAMJE-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1cccc(CNCc2cnn(CC)c2)c1O ZINC000265380962 521369166 /nfs/dbraw/zinc/36/91/66/521369166.db2.gz CLUCIRPBJPTAFJ-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000037157867 521371698 /nfs/dbraw/zinc/37/16/98/521371698.db2.gz XFHGQOMYLOJQBN-LBPRGKRZSA-N 0 3 275.352 2.166 20 10 CECDHN CC[N@@H+]1CC[C@@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083551969 521710268 /nfs/dbraw/zinc/71/02/68/521710268.db2.gz OEXNXZPGVHLYAF-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN CC[N@H+]1CC[C@@H](CNCc2c([O-])cccc2Cl)C1 ZINC000083551969 521710270 /nfs/dbraw/zinc/71/02/70/521710270.db2.gz OEXNXZPGVHLYAF-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN CCN1CC[C@@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000083551969 521710272 /nfs/dbraw/zinc/71/02/72/521710272.db2.gz OEXNXZPGVHLYAF-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN CC[C@H]([NH2+][C@H](CCO)COC)c1ccc(C)cc1[O-] ZINC000280018454 522744646 /nfs/dbraw/zinc/74/46/46/522744646.db2.gz HECPOCHVENVTDQ-OCCSQVGLSA-N 0 3 267.369 2.139 20 10 CECDHN COC[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000278757346 522751119 /nfs/dbraw/zinc/75/11/19/522751119.db2.gz WZOCXDAUIKYBJL-JKSUJKDBSA-N 0 3 278.396 2.036 20 10 CECDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290414343 524378667 /nfs/dbraw/zinc/37/86/67/524378667.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290414343 524378673 /nfs/dbraw/zinc/37/86/73/524378673.db2.gz KFYQRUKATXVDGR-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(CNCc2cc3c(cc2O)OCO3)cn1 ZINC000060942084 524582839 /nfs/dbraw/zinc/58/28/39/524582839.db2.gz TWHDXWHGDIFQOV-UHFFFAOYSA-N 0 3 272.304 2.114 20 10 CECDHN COc1ccc(O)c(CN2CCc3cc[nH]c(=O)c3C2)c1 ZINC000276968528 524747770 /nfs/dbraw/zinc/74/77/70/524747770.db2.gz CPYZROLLUUATIQ-UHFFFAOYSA-N 0 3 286.331 2.060 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037157735 524775100 /nfs/dbraw/zinc/77/51/00/524775100.db2.gz IKGIKPQDVNQYCH-NEPJUHHUSA-N 0 3 275.352 2.337 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1C ZINC000273555412 525926399 /nfs/dbraw/zinc/92/63/99/525926399.db2.gz GUCYPLAFKLUZET-WFASDCNBSA-N 0 3 289.379 2.127 20 10 CECDHN COc1cccc(C[NH2+]CC2(OC)CCCC2)c1[O-] ZINC000289461878 526013016 /nfs/dbraw/zinc/01/30/16/526013016.db2.gz OLQLLKIFQQAKTA-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cccc(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1[O-] ZINC000292908970 526020741 /nfs/dbraw/zinc/02/07/41/526020741.db2.gz HFWUCIPNLNMQLK-INIZCTEOSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1[O-] ZINC000265971689 526021296 /nfs/dbraw/zinc/02/12/96/526021296.db2.gz KZSXTAUFZFMORX-GFCCVEGCSA-N 0 3 277.320 2.125 20 10 CECDHN COc1cccc(CNCc2cc3c(cc2O)OCO3)c1 ZINC000042880173 526022252 /nfs/dbraw/zinc/02/22/52/526022252.db2.gz GVVHLXZXSXQGHI-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN COc1cccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)c1 ZINC000042880173 526022266 /nfs/dbraw/zinc/02/22/66/526022266.db2.gz GVVHLXZXSXQGHI-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000280048286 527331611 /nfs/dbraw/zinc/33/16/11/527331611.db2.gz JIYMEQONXUHOMT-CYBMUJFWSA-N 0 3 257.337 2.293 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000732203616 574614657 /nfs/dbraw/zinc/61/46/57/574614657.db2.gz YYGINVANUUEGCA-GDBMZVCRSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCOC1)C[C@H]1CCCO1 ZINC000732203616 574614660 /nfs/dbraw/zinc/61/46/60/574614660.db2.gz YYGINVANUUEGCA-GDBMZVCRSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000732203618 574614702 /nfs/dbraw/zinc/61/47/02/574614702.db2.gz YYGINVANUUEGCA-HOCLYGCPSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C[C@@H]1CCCO1 ZINC000732203618 574614704 /nfs/dbraw/zinc/61/47/04/574614704.db2.gz YYGINVANUUEGCA-HOCLYGCPSA-N 0 3 291.391 2.410 20 10 CECDHN COc1cccc(CNC[C@H](OC)C(F)(F)F)c1O ZINC000733330136 574665094 /nfs/dbraw/zinc/66/50/94/574665094.db2.gz OWXPYIMHOJIPBL-JTQLQIEISA-N 0 3 279.258 2.068 20 10 CECDHN COC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739874809 574935251 /nfs/dbraw/zinc/93/52/51/574935251.db2.gz XLHLOICULGZOPY-LBPRGKRZSA-N 0 3 261.365 2.349 20 10 CECDHN COC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000739874809 574935252 /nfs/dbraw/zinc/93/52/52/574935252.db2.gz XLHLOICULGZOPY-LBPRGKRZSA-N 0 3 261.365 2.349 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCSC2)c1 ZINC000742382536 575018938 /nfs/dbraw/zinc/01/89/38/575018938.db2.gz CNHXITPAOBBDFM-NSHDSACASA-N 0 3 253.367 2.386 20 10 CECDHN CCOc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000744450345 575121630 /nfs/dbraw/zinc/12/16/30/575121630.db2.gz RYFWBMCPJDUIHJ-CYBMUJFWSA-N 0 3 278.396 2.222 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c1[O-] ZINC000746755678 575163882 /nfs/dbraw/zinc/16/38/82/575163882.db2.gz REMPLMHPTKGMGU-STQMWFEESA-N 0 3 265.353 2.448 20 10 CECDHN C[NH+](C)CC1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000750539757 575268944 /nfs/dbraw/zinc/26/89/44/575268944.db2.gz UEAIONXLBUJSTO-UHFFFAOYSA-N 0 3 282.409 2.304 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCCNc2ncccn2)cc1C ZINC000751505482 575290685 /nfs/dbraw/zinc/29/06/85/575290685.db2.gz GMHREEBUQXQYMH-UHFFFAOYSA-N 0 3 286.379 2.391 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2[O-] ZINC000806664426 622969232 /nfs/dbraw/zinc/96/92/32/622969232.db2.gz PZZWUMKNMZRMRQ-PWSUYJOCSA-N 0 3 297.370 2.457 20 10 CECDHN C/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247710 623324992 /nfs/dbraw/zinc/32/49/92/623324992.db2.gz UMGMOJLKGICFPP-LFAOLKIESA-N 0 3 275.396 2.048 20 10 CECDHN CC(C)NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891402552 623596533 /nfs/dbraw/zinc/59/65/33/623596533.db2.gz ZZCMBZVGHQHLON-OAHLLOKOSA-N 0 3 292.427 2.063 20 10 CECDHN COc1cccc(CNCc2cccc(C)n2)c1O ZINC000051574112 624450668 /nfs/dbraw/zinc/45/06/68/624450668.db2.gz ZBDHOIYVDHUTFQ-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC000153888292 625734226 /nfs/dbraw/zinc/73/42/26/625734226.db2.gz GGQUBBRPXNATEG-LLVKDONJSA-N 0 3 292.379 2.062 20 10 CECDHN CC[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000177850658 625904133 /nfs/dbraw/zinc/90/41/33/625904133.db2.gz NSUGFRBONSXIOD-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1ccccc1[O-] ZINC000167468066 627663994 /nfs/dbraw/zinc/66/39/94/627663994.db2.gz XWMUIRKUVDQASR-PSVSLLHZSA-N 0 3 255.383 2.200 20 10 CECDHN CC[C@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169089369 627693145 /nfs/dbraw/zinc/69/31/45/627693145.db2.gz NISMZYSQBSQPFL-LLVKDONJSA-N 0 3 273.760 2.305 20 10 CECDHN COc1ccc(O)c(CNCc2ccc(F)nc2)c1 ZINC000189106575 628303912 /nfs/dbraw/zinc/30/39/12/628303912.db2.gz OHTPHEOZJZMULW-UHFFFAOYSA-N 0 3 262.284 2.225 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](O)C(F)F ZINC000877561178 629197297 /nfs/dbraw/zinc/19/72/97/629197297.db2.gz IICOKYDCMGLCEL-ZYHUDNBSSA-N 0 3 259.296 2.195 20 10 CECDHN COc1ccc(CNCc2cccc(OC)c2O)nc1 ZINC000894458485 629472441 /nfs/dbraw/zinc/47/24/41/629472441.db2.gz SJMQRNQYSXCNPQ-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN COC1(OC)CC[C@@H]1NCc1ccc(N(C)C)cc1C ZINC000925078543 629601973 /nfs/dbraw/zinc/60/19/73/629601973.db2.gz HXVMEIAEIHOPIE-HNNXBMFYSA-N 0 3 278.396 2.302 20 10 CECDHN COC(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000795910125 629707555 /nfs/dbraw/zinc/70/75/55/629707555.db2.gz DHQCTDBPVVKILM-UHFFFAOYSA-N 0 3 271.316 2.469 20 10 CECDHN NC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000895007114 629800469 /nfs/dbraw/zinc/80/04/69/629800469.db2.gz TUUVUYHOHANQAB-JKSUJKDBSA-N 0 3 296.370 2.093 20 10 CECDHN NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1c1ccccc1 ZINC000895007114 629800471 /nfs/dbraw/zinc/80/04/71/629800471.db2.gz TUUVUYHOHANQAB-JKSUJKDBSA-N 0 3 296.370 2.093 20 10 CECDHN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])O2)CO1 ZINC000895820277 630361800 /nfs/dbraw/zinc/36/18/00/630361800.db2.gz NEAQFVLZAMEJAV-WPGHFRTFSA-N 0 3 295.354 2.348 20 10 CECDHN Cc1ccc(C[NH2+]CC2(C3(O)CCOCC3)CC2)c([O-])c1 ZINC000896625569 630612178 /nfs/dbraw/zinc/61/21/78/630612178.db2.gz QSJQCUGTJBASNI-UHFFFAOYSA-N 0 3 291.391 2.112 20 10 CECDHN C[C@@H](O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000798195251 630835092 /nfs/dbraw/zinc/83/50/92/630835092.db2.gz DMIRFVZAVIGFBK-HIFRSBDPSA-N 0 3 279.380 2.144 20 10 CECDHN C[C@@H](O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000798195251 630835098 /nfs/dbraw/zinc/83/50/98/630835098.db2.gz DMIRFVZAVIGFBK-HIFRSBDPSA-N 0 3 279.380 2.144 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808714022 631143668 /nfs/dbraw/zinc/14/36/68/631143668.db2.gz LMJDUDYRHSLLJD-SNVBAGLBSA-N 0 3 284.787 2.483 20 10 CECDHN Cc1ccc(O)c(CN(C)Cc2cccc(=O)[nH]2)c1 ZINC000897391948 631276209 /nfs/dbraw/zinc/27/62/09/631276209.db2.gz GUPJFNLUFOHYBC-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCNC1=O ZINC000801595532 631296396 /nfs/dbraw/zinc/29/63/96/631296396.db2.gz FIQNABFBEDVAGM-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCNC1=O ZINC000801595532 631296405 /nfs/dbraw/zinc/29/64/05/631296405.db2.gz FIQNABFBEDVAGM-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1[O-] ZINC000863545893 631569323 /nfs/dbraw/zinc/56/93/23/631569323.db2.gz BACDUMUIQHAEEX-VDDIYKPWSA-N 0 3 254.761 2.447 20 10 CECDHN CC[C@H](NCCS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000163507170 631822872 /nfs/dbraw/zinc/82/28/72/631822872.db2.gz GQLMVEFYWYPJDJ-HNNXBMFYSA-N 0 3 298.452 2.228 20 10 CECDHN CCCOc1ccc(CN[C@]2(C)CCNC2=O)cc1C ZINC000897867522 631951659 /nfs/dbraw/zinc/95/16/59/631951659.db2.gz VRXUCPZAEYGQOO-MRXNPFEDSA-N 0 3 276.380 2.152 20 10 CECDHN CCOc1ccc(C[NH2+]CC2=CCCOC2)c([O-])c1 ZINC000808429453 631961703 /nfs/dbraw/zinc/96/17/03/631961703.db2.gz CSJTXFIBLINYDJ-UHFFFAOYSA-N 0 3 263.337 2.227 20 10 CECDHN C[NH+](C)[C@H]1C[C@H](NC(=O)c2cc([O-])cs2)C12CCC2 ZINC000898841625 632618944 /nfs/dbraw/zinc/61/89/44/632618944.db2.gz XUPXRUJIHZCYDT-RYUDHWBXSA-N 0 3 280.393 2.056 20 10 CECDHN C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C12CCC2 ZINC000898841627 632619121 /nfs/dbraw/zinc/61/91/21/632619121.db2.gz XUPXRUJIHZCYDT-VXGBXAGGSA-N 0 3 280.393 2.056 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2[O-] ZINC000813879004 632751679 /nfs/dbraw/zinc/75/16/79/632751679.db2.gz IFVXTIBXSOJOOD-JOYOIKCWSA-N 0 3 281.327 2.085 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000815160152 632974657 /nfs/dbraw/zinc/97/46/57/632974657.db2.gz REFUBIURYZWWTE-IAQYHMDHSA-N 0 3 265.353 2.042 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1n1cccn1 ZINC000815167182 632975371 /nfs/dbraw/zinc/97/53/71/632975371.db2.gz TVDIMSRGWZABCW-NUEKZKHPSA-N 0 3 287.363 2.097 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1n1cccn1 ZINC000815167181 632975507 /nfs/dbraw/zinc/97/55/07/632975507.db2.gz TVDIMSRGWZABCW-IMJJTQAJSA-N 0 3 287.363 2.097 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@H](NC(C)=O)C2)cc1 ZINC000817412805 633651738 /nfs/dbraw/zinc/65/17/38/633651738.db2.gz PNSHGFLJEANYGH-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817944903 633792288 /nfs/dbraw/zinc/79/22/88/633792288.db2.gz OSXWHUNMVTXRJR-WPRPVWTQSA-N 0 3 285.185 2.167 20 10 CECDHN CC[C@@H](NC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817956182 633799365 /nfs/dbraw/zinc/79/93/65/633799365.db2.gz SSDCPZQZZHAIOO-LLVKDONJSA-N 0 3 285.185 2.167 20 10 CECDHN C[C@H](NCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817968523 633811114 /nfs/dbraw/zinc/81/11/14/633811114.db2.gz KVEMXCHRSMCQLY-WDEREUQCSA-N 0 3 279.340 2.093 20 10 CECDHN C[C@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973283 633817544 /nfs/dbraw/zinc/81/75/44/633817544.db2.gz SJJDJLWSRVZRRS-YUMQZZPRSA-N 0 3 262.275 2.409 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2[O-] ZINC000817977067 633820184 /nfs/dbraw/zinc/82/01/84/633820184.db2.gz ZXVCZBRIISPTSD-QFOLPQNPSA-N 0 3 282.334 2.369 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccc2ccccc2c1[O-] ZINC000817983947 633826145 /nfs/dbraw/zinc/82/61/45/633826145.db2.gz SFDIYOHILYMPNX-JSGCOSHPSA-N 0 3 286.375 2.184 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)cc1[O-] ZINC000818615477 633960450 /nfs/dbraw/zinc/96/04/50/633960450.db2.gz PWRYGOVGPNBTNL-ZWKOPEQDSA-N 0 3 252.333 2.452 20 10 CECDHN CC[NH+]1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000825537375 635656738 /nfs/dbraw/zinc/65/67/38/635656738.db2.gz XJNGZRSWJRBFNO-UHFFFAOYSA-N 0 3 268.382 2.010 20 10 CECDHN CCN1CCC(N(C)C(=O)C2=CC(=O)CS2)CC1 ZINC000825537375 635656743 /nfs/dbraw/zinc/65/67/43/635656743.db2.gz XJNGZRSWJRBFNO-UHFFFAOYSA-N 0 3 268.382 2.010 20 10 CECDHN CCCC[N@H+](CC[S@](C)=O)Cc1ccccc1[O-] ZINC000829515752 636872554 /nfs/dbraw/zinc/87/25/54/636872554.db2.gz GEMKMTYGBQITDC-SFHVURJKSA-N 0 3 269.410 2.373 20 10 CECDHN CCCC[N@@H+](CC[S@](C)=O)Cc1ccccc1[O-] ZINC000829515752 636872559 /nfs/dbraw/zinc/87/25/59/636872559.db2.gz GEMKMTYGBQITDC-SFHVURJKSA-N 0 3 269.410 2.373 20 10 CECDHN CCN(Cc1cnn(C)c1)Cc1c(C)cccc1O ZINC000876634746 650369027 /nfs/dbraw/zinc/36/90/27/650369027.db2.gz AUCLUGMIDBOVLY-UHFFFAOYSA-N 0 3 259.353 2.456 20 10 CECDHN C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834544576 637859817 /nfs/dbraw/zinc/85/98/17/637859817.db2.gz NWKGLKLCVFEBCF-BXUZGUMPSA-N 0 3 269.348 2.390 20 10 CECDHN CC(=O)N1CCC(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834570407 637872065 /nfs/dbraw/zinc/87/20/65/637872065.db2.gz GRISXXIFLJNKOF-OAHLLOKOSA-N 0 3 288.391 2.228 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@]1(OC)CCOC1 ZINC000876654765 650378746 /nfs/dbraw/zinc/37/87/46/650378746.db2.gz OTGMZTOGULIZSF-INIZCTEOSA-N 0 3 279.380 2.410 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@]1(OC)CCOC1 ZINC000876654765 650378751 /nfs/dbraw/zinc/37/87/51/650378751.db2.gz OTGMZTOGULIZSF-INIZCTEOSA-N 0 3 279.380 2.410 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834880660 637976853 /nfs/dbraw/zinc/97/68/53/637976853.db2.gz ASQCXFWDNHIMPA-SLEUVZQESA-N 0 3 265.353 2.094 20 10 CECDHN COCC(COC)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834894087 637979870 /nfs/dbraw/zinc/97/98/70/637979870.db2.gz YYJMFGCWXPDMHJ-SKDRFNHKSA-N 0 3 283.343 2.331 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000834906844 637983951 /nfs/dbraw/zinc/98/39/51/637983951.db2.gz HUBFCSXDGVRVTF-FRRDWIJNSA-N 0 3 276.380 2.314 20 10 CECDHN CN(C)c1ccc(/C=C\CNCc2cnn(C)c2)cc1 ZINC000835036029 638033226 /nfs/dbraw/zinc/03/32/26/638033226.db2.gz NPQPKMKBWWTFRX-PLNGDYQASA-N 0 3 270.380 2.289 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCCCNC2=O)cc1 ZINC000835037807 638034395 /nfs/dbraw/zinc/03/43/95/638034395.db2.gz XRUASKLPXUCXOX-OGZRUICASA-N 0 3 287.407 2.024 20 10 CECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876739246 650414503 /nfs/dbraw/zinc/41/45/03/650414503.db2.gz BTGBLZWRGKMILO-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C2CC2)CC1 ZINC000876907476 650481481 /nfs/dbraw/zinc/48/14/81/650481481.db2.gz CKQITJCOVZMZDT-UHFFFAOYSA-N 0 3 260.381 2.417 20 10 CECDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])C(=O)OC(C)(C)C ZINC000226589198 639555008 /nfs/dbraw/zinc/55/50/08/639555008.db2.gz SAWZXCOCKBWJHR-UHFFFAOYSA-N 0 3 298.358 2.488 20 10 CECDHN C[C@@](CO)([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000227212836 639577445 /nfs/dbraw/zinc/57/74/45/639577445.db2.gz HHJYSRVBVHFATJ-INIZCTEOSA-N 0 3 257.333 2.390 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840958449 639600918 /nfs/dbraw/zinc/60/09/18/639600918.db2.gz RGLUDAVRGYMOIJ-LLVKDONJSA-N 0 3 296.798 2.264 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)c1[O-] ZINC000840958449 639600923 /nfs/dbraw/zinc/60/09/23/639600923.db2.gz RGLUDAVRGYMOIJ-LLVKDONJSA-N 0 3 296.798 2.264 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1[O-] ZINC000841080153 639648779 /nfs/dbraw/zinc/64/87/79/639648779.db2.gz UOXGEEPSZLFFNB-RYUDHWBXSA-N 0 3 272.751 2.144 20 10 CECDHN CC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877009897 650530464 /nfs/dbraw/zinc/53/04/64/650530464.db2.gz DUQCMZXYZNUXHB-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)NC(C)(C)C ZINC000877025300 650536613 /nfs/dbraw/zinc/53/66/13/650536613.db2.gz GKMPRRBBTDEVQW-UHFFFAOYSA-N 0 3 264.369 2.095 20 10 CECDHN COCC1(CC[NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000842728151 640160590 /nfs/dbraw/zinc/16/05/90/640160590.db2.gz ATYGVFXDRQSGJB-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CC(C)[C@H]1CN(Cc2c([O-])cccc2Cl)CC[NH2+]1 ZINC000843105008 640282498 /nfs/dbraw/zinc/28/24/98/640282498.db2.gz OPPTTWPIVUQVMI-CYBMUJFWSA-N 0 3 268.788 2.475 20 10 CECDHN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1[NH3+] ZINC000843376553 640410708 /nfs/dbraw/zinc/41/07/08/640410708.db2.gz AXEXLBAIKFXIGQ-ABAIWWIYSA-N 0 3 294.370 2.293 20 10 CECDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000154475515 640908368 /nfs/dbraw/zinc/90/83/68/640908368.db2.gz OPORVXGKDYDJFK-ZDUSSCGKSA-N 0 3 253.317 2.267 20 10 CECDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000154475515 640908371 /nfs/dbraw/zinc/90/83/71/640908371.db2.gz OPORVXGKDYDJFK-ZDUSSCGKSA-N 0 3 253.317 2.267 20 10 CECDHN CCCC[N@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000918208008 640949141 /nfs/dbraw/zinc/94/91/41/640949141.db2.gz GOUIMBZPSQTRAH-UHFFFAOYSA-N 0 3 297.374 2.062 20 10 CECDHN CCCC[N@@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000918208008 640949144 /nfs/dbraw/zinc/94/91/44/640949144.db2.gz GOUIMBZPSQTRAH-UHFFFAOYSA-N 0 3 297.374 2.062 20 10 CECDHN CCN1C[C@@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000846207827 641221474 /nfs/dbraw/zinc/22/14/74/641221474.db2.gz GHOOPGDEBHWPOF-QWHCGFSZSA-N 0 3 276.380 2.220 20 10 CECDHN COCCN(C)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000921047802 641223756 /nfs/dbraw/zinc/22/37/56/641223756.db2.gz FERFUUZJZIMQKA-UHFFFAOYSA-N 0 3 267.369 2.474 20 10 CECDHN CCC[N@H+](CC)CCNC(=O)NCc1c([O-])cccc1F ZINC000921186339 641236038 /nfs/dbraw/zinc/23/60/38/641236038.db2.gz UQRUUPLLSJONCP-UHFFFAOYSA-N 0 3 297.374 2.062 20 10 CECDHN CCC[N@@H+](CC)CCNC(=O)NCc1c([O-])cccc1F ZINC000921186339 641236042 /nfs/dbraw/zinc/23/60/42/641236042.db2.gz UQRUUPLLSJONCP-UHFFFAOYSA-N 0 3 297.374 2.062 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000185777061 642027796 /nfs/dbraw/zinc/02/77/96/642027796.db2.gz IATOOUWEXZQOHM-CZUORRHYSA-N 0 3 279.380 2.140 20 10 CECDHN [NH3+]C[C@@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000848715649 642109899 /nfs/dbraw/zinc/10/98/99/642109899.db2.gz IAVZZTVSXNKFLH-SECBINFHSA-N 0 3 268.666 2.025 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930846 642200531 /nfs/dbraw/zinc/20/05/31/642200531.db2.gz XQWGJSMDGUXGFG-MRXNPFEDSA-N 0 3 290.407 2.079 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930846 642200535 /nfs/dbraw/zinc/20/05/35/642200535.db2.gz XQWGJSMDGUXGFG-MRXNPFEDSA-N 0 3 290.407 2.079 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccccc2[O-])C1 ZINC000850353969 642678829 /nfs/dbraw/zinc/67/88/29/642678829.db2.gz RCBHOTJBRHTHET-YUELXQCFSA-N 0 3 279.380 2.048 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c([O-])c1 ZINC000877553599 650784300 /nfs/dbraw/zinc/78/43/00/650784300.db2.gz AUHBTSYNTCHHAL-IAGOWNOFSA-N 0 3 291.391 2.110 20 10 CECDHN COC(=O)[C@@H]1CSCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877592521 650805150 /nfs/dbraw/zinc/80/51/50/650805150.db2.gz IBZVTLUUJCDMOO-LBPRGKRZSA-N 0 3 295.404 2.039 20 10 CECDHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877592521 650805152 /nfs/dbraw/zinc/80/51/52/650805152.db2.gz IBZVTLUUJCDMOO-LBPRGKRZSA-N 0 3 295.404 2.039 20 10 CECDHN CN(C)c1ccc(CNC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000851629578 643098269 /nfs/dbraw/zinc/09/82/69/643098269.db2.gz PWQCKDSZPUSEQT-UHFFFAOYSA-N 0 3 287.407 2.030 20 10 CECDHN C[C@@H]1COC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000922641296 643179909 /nfs/dbraw/zinc/17/99/09/643179909.db2.gz ZZWFCFBONVZIKH-NOZJJQNGSA-N 0 3 270.323 2.155 20 10 CECDHN Cc1ccc(C[NH2+]CCOCC(=O)OC(C)(C)C)c([O-])c1 ZINC000877674298 650844501 /nfs/dbraw/zinc/84/45/01/650844501.db2.gz JNVLLIRJIKTEDW-UHFFFAOYSA-N 0 3 295.379 2.149 20 10 CECDHN CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000877674606 650845626 /nfs/dbraw/zinc/84/56/26/650845626.db2.gz NBPCREXTLZBXNW-CQSZACIVSA-N 0 3 280.343 2.022 20 10 CECDHN CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000877674606 650845630 /nfs/dbraw/zinc/84/56/30/650845630.db2.gz NBPCREXTLZBXNW-CQSZACIVSA-N 0 3 280.343 2.022 20 10 CECDHN CC[C@]1(O)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000877692718 650853942 /nfs/dbraw/zinc/85/39/42/650853942.db2.gz PUIVNKDDLVREJH-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@]1(O)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000877692718 650853943 /nfs/dbraw/zinc/85/39/43/650853943.db2.gz PUIVNKDDLVREJH-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CC1(C)C ZINC000853628029 643838031 /nfs/dbraw/zinc/83/80/31/643838031.db2.gz LTVMIQXMYVUHIE-FZMZJTMJSA-N 0 3 277.364 2.296 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@@H]1CC1(C)C ZINC000853628029 643838034 /nfs/dbraw/zinc/83/80/34/643838034.db2.gz LTVMIQXMYVUHIE-FZMZJTMJSA-N 0 3 277.364 2.296 20 10 CECDHN COc1ccc(N2CC[C@@H](Nc3cc(C)nc(N)n3)C2)cc1 ZINC000853758341 643892830 /nfs/dbraw/zinc/89/28/30/643892830.db2.gz CLXVLLNTBYXJSH-GFCCVEGCSA-N 0 3 299.378 2.067 20 10 CECDHN CN(C)c1ccc(CN2CCCc3n[nH]cc3C2)cc1 ZINC000854053994 643973981 /nfs/dbraw/zinc/97/39/81/643973981.db2.gz HELJDLVYTIBORP-UHFFFAOYSA-N 0 3 270.380 2.424 20 10 CECDHN CC1(C)CCC[N@@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000854892896 644198145 /nfs/dbraw/zinc/19/81/45/644198145.db2.gz AJVDEAMGCAWQDV-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN CC1(C)CCC[N@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000854892896 644198148 /nfs/dbraw/zinc/19/81/48/644198148.db2.gz AJVDEAMGCAWQDV-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN CCn1nnc(C)c1CN[C@H](C)c1ccccc1O ZINC000877755618 650899227 /nfs/dbraw/zinc/89/92/27/650899227.db2.gz IHWNFWUYKBCVJA-SNVBAGLBSA-N 0 3 260.341 2.163 20 10 CECDHN CCn1nnc(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755618 650899229 /nfs/dbraw/zinc/89/92/29/650899229.db2.gz IHWNFWUYKBCVJA-SNVBAGLBSA-N 0 3 260.341 2.163 20 10 CECDHN CCOC(=O)[C@@H](C)C1CN(Cc2ccc(C)cc2O)C1 ZINC000877830398 650925433 /nfs/dbraw/zinc/92/54/33/650925433.db2.gz GYDJTJWAQGFXQI-LBPRGKRZSA-N 0 3 277.364 2.332 20 10 CECDHN CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756359809 644635309 /nfs/dbraw/zinc/63/53/09/644635309.db2.gz DLFCRROGXKYDKR-ONGXEEELSA-N 0 3 280.343 2.194 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c([O-])c1 ZINC000756489036 644654265 /nfs/dbraw/zinc/65/42/65/644654265.db2.gz OJJUOUMMLJBICW-RYUDHWBXSA-N 0 3 260.341 2.031 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000756517983 644658223 /nfs/dbraw/zinc/65/82/23/644658223.db2.gz RTYPBTQUGIEZLX-ONGXEEELSA-N 0 3 280.343 2.148 20 10 CECDHN C[C@@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756765066 644690154 /nfs/dbraw/zinc/69/01/54/644690154.db2.gz NHYWLOHTPRVLCN-NGZCFLSTSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756765065 644690416 /nfs/dbraw/zinc/69/04/16/644690416.db2.gz NHYWLOHTPRVLCN-KKZNHRDASA-N 0 3 253.317 2.440 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756782065 644691624 /nfs/dbraw/zinc/69/16/24/644691624.db2.gz MCNPKYNMZFZRJU-MWLCHTKSSA-N 0 3 294.370 2.441 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756776133 644691632 /nfs/dbraw/zinc/69/16/32/644691632.db2.gz WPRGWVYLXLGWBX-XWIASGKRSA-N 0 3 280.343 2.097 20 10 CECDHN COc1ccc(N2CCN(CC[C@@H](O)C(C)C)CC2)cc1 ZINC000877912385 650945322 /nfs/dbraw/zinc/94/53/22/650945322.db2.gz SNFHKTVEDLOZNR-QGZVFWFLSA-N 0 3 292.423 2.224 20 10 CECDHN CCOc1ccc(C[NH2+]CCOC(C)C)c([O-])c1 ZINC000757977456 644866957 /nfs/dbraw/zinc/86/69/57/644866957.db2.gz JYJGCBFDPBSOJW-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)OC)c([O-])c1 ZINC000809717940 644954683 /nfs/dbraw/zinc/95/46/83/644954683.db2.gz OQLVGZJSWOFXFD-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)OC)c([O-])c1 ZINC000809717940 644954687 /nfs/dbraw/zinc/95/46/87/644954687.db2.gz OQLVGZJSWOFXFD-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CC[C@@](C)(CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858122904 645069433 /nfs/dbraw/zinc/06/94/33/645069433.db2.gz UCAQIGIUJPJBRS-AWEZNQCLSA-N 0 3 272.339 2.281 20 10 CECDHN Cc1ccc(O)c(CNCc2ccc(C(=O)N(C)C)[nH]2)c1 ZINC000858238402 645095737 /nfs/dbraw/zinc/09/57/37/645095737.db2.gz YYKYQAFADBNYQT-UHFFFAOYSA-N 0 3 287.363 2.020 20 10 CECDHN CN(C)c1ccc(CNc2ccnc(CO)c2)cc1 ZINC000858324558 645119080 /nfs/dbraw/zinc/11/90/80/645119080.db2.gz ANDNGODURZZLJO-UHFFFAOYSA-N 0 3 257.337 2.252 20 10 CECDHN C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437722 646122452 /nfs/dbraw/zinc/12/24/52/646122452.db2.gz FIUPTOVXXKJUKE-INIZCTEOSA-N 0 3 285.343 2.450 20 10 CECDHN C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768437722 646122453 /nfs/dbraw/zinc/12/24/53/646122453.db2.gz FIUPTOVXXKJUKE-INIZCTEOSA-N 0 3 285.343 2.450 20 10 CECDHN CCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441769 646122481 /nfs/dbraw/zinc/12/24/81/646122481.db2.gz MTCVSCDAKGBWEB-CYBMUJFWSA-N 0 3 251.326 2.050 20 10 CECDHN CCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441769 646122482 /nfs/dbraw/zinc/12/24/82/646122482.db2.gz MTCVSCDAKGBWEB-CYBMUJFWSA-N 0 3 251.326 2.050 20 10 CECDHN CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440110 646122632 /nfs/dbraw/zinc/12/26/32/646122632.db2.gz SQUNGPIHHUTTGV-ABAIWWIYSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440110 646122635 /nfs/dbraw/zinc/12/26/35/646122635.db2.gz SQUNGPIHHUTTGV-ABAIWWIYSA-N 0 3 277.364 2.440 20 10 CECDHN CC1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449689 646125271 /nfs/dbraw/zinc/12/52/71/646125271.db2.gz YJUXMVKRUDOCTI-CQSZACIVSA-N 0 3 277.364 2.440 20 10 CECDHN CC1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449689 646125274 /nfs/dbraw/zinc/12/52/74/646125274.db2.gz YJUXMVKRUDOCTI-CQSZACIVSA-N 0 3 277.364 2.440 20 10 CECDHN CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464765 646128258 /nfs/dbraw/zinc/12/82/58/646128258.db2.gz UXQWNPPSCRWJPK-NHYWBVRUSA-N 0 3 277.364 2.296 20 10 CECDHN CC(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464765 646128260 /nfs/dbraw/zinc/12/82/60/646128260.db2.gz UXQWNPPSCRWJPK-NHYWBVRUSA-N 0 3 277.364 2.296 20 10 CECDHN COc1ccc(N2CCCN(Cc3cn[nH]c3)CC2)cc1 ZINC000768997843 646189660 /nfs/dbraw/zinc/18/96/60/646189660.db2.gz IFSYTPLPGTZQQT-UHFFFAOYSA-N 0 3 286.379 2.131 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCC[C@H]2CC(N)=O)c([O-])c1 ZINC000769147223 646215555 /nfs/dbraw/zinc/21/55/55/646215555.db2.gz COCYFEUQYDLDKE-ZDUSSCGKSA-N 0 3 292.379 2.021 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCC[C@H]2CC(N)=O)c([O-])c1 ZINC000769147223 646215561 /nfs/dbraw/zinc/21/55/61/646215561.db2.gz COCYFEUQYDLDKE-ZDUSSCGKSA-N 0 3 292.379 2.021 20 10 CECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)Cc1ccccc1O ZINC000769281467 646235238 /nfs/dbraw/zinc/23/52/38/646235238.db2.gz DJJBKWJCIIGVAH-CHWSQXEVSA-N 0 3 276.380 2.223 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000769340283 646248330 /nfs/dbraw/zinc/24/83/30/646248330.db2.gz VLNDZBUVSLNUFN-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCOC1 ZINC000769340283 646248334 /nfs/dbraw/zinc/24/83/34/646248334.db2.gz VLNDZBUVSLNUFN-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCOC[C@@H]1C ZINC000769455401 646270204 /nfs/dbraw/zinc/27/02/04/646270204.db2.gz AKWSCMDJBZWGJN-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCOC[C@@H]1C ZINC000769455401 646270207 /nfs/dbraw/zinc/27/02/07/646270207.db2.gz AKWSCMDJBZWGJN-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000770745337 646434391 /nfs/dbraw/zinc/43/43/91/646434391.db2.gz GRVDJOIUNBTYMG-RYUDHWBXSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1ccc(O)c(CN[C@@](C)(CO)c2cccc(O)c2)c1 ZINC000862432450 646457606 /nfs/dbraw/zinc/45/76/06/646457606.db2.gz DJSJCZWVRRDBEZ-KRWDZBQOSA-N 0 3 287.359 2.404 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)N(C)C)cc1 ZINC000773048430 646700150 /nfs/dbraw/zinc/70/01/50/646700150.db2.gz RCBPVKKTCPCSON-CHWSQXEVSA-N 0 3 277.412 2.270 20 10 CECDHN C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000864467961 647022112 /nfs/dbraw/zinc/02/21/12/647022112.db2.gz CTVOICJMDQRHMR-XCBNKYQSSA-N 0 3 298.184 2.177 20 10 CECDHN CC(C)(C)C[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000779015388 647282207 /nfs/dbraw/zinc/28/22/07/647282207.db2.gz UZJXWLOWRPMAHC-UHFFFAOYSA-N 0 3 255.333 2.372 20 10 CECDHN CC(C)(C)C[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000779015388 647282213 /nfs/dbraw/zinc/28/22/13/647282213.db2.gz UZJXWLOWRPMAHC-UHFFFAOYSA-N 0 3 255.333 2.372 20 10 CECDHN COc1cncc(C[NH2+]Cc2ccccc2[O-])c1C ZINC000865442742 647295279 /nfs/dbraw/zinc/29/52/79/647295279.db2.gz RIVXVCOZBRTRAV-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CCOc1cccc(CN[C@@H](C)c2ccnn2C)c1O ZINC000865838954 647486054 /nfs/dbraw/zinc/48/60/54/647486054.db2.gz DXGNRLLCCFZSIO-NSHDSACASA-N 0 3 275.352 2.375 20 10 CECDHN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000783507887 647723388 /nfs/dbraw/zinc/72/33/88/647723388.db2.gz CAIDFDZUUADXNL-STQMWFEESA-N 0 3 265.353 2.096 20 10 CECDHN CC(=O)Nc1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000788523389 648198345 /nfs/dbraw/zinc/19/83/45/648198345.db2.gz BTLQBNQSSOSYOL-UHFFFAOYSA-N 0 3 271.320 2.035 20 10 CECDHN CC(C)(C)[N@@H+]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790598082 648434016 /nfs/dbraw/zinc/43/40/16/648434016.db2.gz IZNMMGIPXSJGQO-UHFFFAOYSA-N 0 3 292.379 2.044 20 10 CECDHN CC(C)(C)[N@H+]1CCCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000790598082 648434017 /nfs/dbraw/zinc/43/40/17/648434017.db2.gz IZNMMGIPXSJGQO-UHFFFAOYSA-N 0 3 292.379 2.044 20 10 CECDHN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790668898 648440137 /nfs/dbraw/zinc/44/01/37/648440137.db2.gz OSBZCCDLPRHDPP-RYUDHWBXSA-N 0 3 292.379 2.091 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)CC2CCC2)c([O-])c1 ZINC000793321087 648742690 /nfs/dbraw/zinc/74/26/90/648742690.db2.gz GGWZUAPIJUAKGH-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(CCF)CC1)[C@@H](O)CO2 ZINC000872648411 649449007 /nfs/dbraw/zinc/44/90/07/649449007.db2.gz LJLFBCGSOVCLBV-HNNXBMFYSA-N 0 3 295.354 2.390 20 10 CECDHN Cc1cc(O)c(CN(C)[C@@H]2CCCCN(C)C2=O)cc1C ZINC000872673873 649454100 /nfs/dbraw/zinc/45/41/00/649454100.db2.gz RCJYLTNVSCMNPT-OAHLLOKOSA-N 0 3 290.407 2.452 20 10 CECDHN CC[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000124610333 649719154 /nfs/dbraw/zinc/71/91/54/649719154.db2.gz DLDQEPIEANXHHI-HNNXBMFYSA-N 0 3 277.412 2.051 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccccc1[O-] ZINC000879648829 651335354 /nfs/dbraw/zinc/33/53/54/651335354.db2.gz BIDHWXKDJJIONL-QHSBEEBCSA-N 0 3 288.391 2.490 20 10 CECDHN CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000132569635 652535298 /nfs/dbraw/zinc/53/52/98/652535298.db2.gz ANSAOFMFDYUWRJ-NSHDSACASA-N 0 3 288.185 2.324 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000133965020 652751583 /nfs/dbraw/zinc/75/15/83/652751583.db2.gz CMCCUNZCMHRFMW-AWEZNQCLSA-N 0 3 277.364 2.210 20 10 CECDHN C[NH+](C)C1(C)CN(Cc2c([O-])cccc2Br)C1 ZINC001140100903 802599809 /nfs/dbraw/zinc/59/98/09/802599809.db2.gz FPGGQPGRMBJYAP-UHFFFAOYSA-N 0 3 299.212 2.291 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccccc1[O-] ZINC000723884774 802963793 /nfs/dbraw/zinc/96/37/93/802963793.db2.gz ZIMASVKCJSXGKU-NSHDSACASA-N 0 3 285.409 2.114 20 10 CECDHN Cc1c(O)ccc(CN2CC3(C2)C[C@H](F)CS3)c1O ZINC001140747475 803513739 /nfs/dbraw/zinc/51/37/39/803513739.db2.gz AXXQQDGBVVVOQH-NSHDSACASA-N 0 3 283.368 2.436 20 10 CECDHN Cc1c(O)ccc(CN2CC(N3CCCCC3)C2)c1O ZINC001140748718 803514265 /nfs/dbraw/zinc/51/42/65/803514265.db2.gz IVENCKCVKYVVNZ-UHFFFAOYSA-N 0 3 276.380 2.076 20 10 CECDHN Oc1cc(O)c(CN2CC[C@]3(CC3(F)F)C2)cc1O ZINC001233486104 807409082 /nfs/dbraw/zinc/40/90/82/807409082.db2.gz YOZGNHQJEYSYEQ-LBPRGKRZSA-N 0 3 271.263 2.035 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cc(C)n[nH]2)c1 ZINC000716493206 815133011 /nfs/dbraw/zinc/13/30/11/815133011.db2.gz KHPLCCNYFNQGHC-JTQLQIEISA-N 0 3 261.325 2.283 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000716758437 815145370 /nfs/dbraw/zinc/14/53/70/815145370.db2.gz MJAVYJKQWFODHR-WCQYABFASA-N 0 3 274.364 2.054 20 10 CECDHN CN(C)Cc1ccc(-c2noc(-c3csnn3)n2)cc1 ZINC001212362086 808660496 /nfs/dbraw/zinc/66/04/96/808660496.db2.gz LYJNXFTYGWJVSD-UHFFFAOYSA-N 0 3 287.348 2.317 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(C2CC2)C(=O)C1)c1ccccc1[O-] ZINC001172003192 815261807 /nfs/dbraw/zinc/26/18/07/815261807.db2.gz SQVVFLJUQZVSDN-RYUDHWBXSA-N 0 3 274.364 2.196 20 10 CECDHN COC(=O)C1(C)CCC([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001168752577 809274233 /nfs/dbraw/zinc/27/42/33/809274233.db2.gz OQNPNBLURIEWHW-UHFFFAOYSA-N 0 3 293.363 2.309 20 10 CECDHN CN(C)C[C@@H]1CCC[N@@H+]1Cc1c([O-])cccc1F ZINC001137837897 809782449 /nfs/dbraw/zinc/78/24/49/809782449.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 0 3 252.333 2.057 20 10 CECDHN CN(C)C[C@@H]1CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137837897 809782451 /nfs/dbraw/zinc/78/24/51/809782451.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 0 3 252.333 2.057 20 10 CECDHN C[NH+](C)C[C@@H]1CCCN1Cc1c([O-])cccc1F ZINC001137837897 809782454 /nfs/dbraw/zinc/78/24/54/809782454.db2.gz YIRJXQDPGNPSKI-NSHDSACASA-N 0 3 252.333 2.057 20 10 CECDHN C[NH+](C)C1CC(NCc2c([O-])cccc2Br)C1 ZINC000706812847 809855609 /nfs/dbraw/zinc/85/56/09/809855609.db2.gz CVPGVXZKDRLWJZ-UHFFFAOYSA-N 0 3 299.212 2.337 20 10 CECDHN CN1CC2(C1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137839760 809858912 /nfs/dbraw/zinc/85/89/12/809858912.db2.gz IOLXJMYNRFNNCQ-UHFFFAOYSA-N 0 3 264.344 2.059 20 10 CECDHN CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172917385 815544719 /nfs/dbraw/zinc/54/47/19/815544719.db2.gz FZVLUVMTZQSHOB-DGCLKSJQSA-N 0 3 251.326 2.145 20 10 CECDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173142727 815601732 /nfs/dbraw/zinc/60/17/32/815601732.db2.gz WCNDDGNLENSQFX-SNVBAGLBSA-N 0 3 276.361 2.201 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2cnccn2)c1[O-] ZINC000390206593 813261755 /nfs/dbraw/zinc/26/17/55/813261755.db2.gz MUNRRIDIVMXPKI-UHFFFAOYSA-N 0 3 293.754 2.177 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000689583941 813969386 /nfs/dbraw/zinc/96/93/86/813969386.db2.gz KQVKNXAIQAIXOC-NSHDSACASA-N 0 3 266.341 2.049 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000713480345 814858366 /nfs/dbraw/zinc/85/83/66/814858366.db2.gz HRFXCZQJGRTXCJ-HUUCEWRRSA-N 0 3 277.364 2.448 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714353736 814898061 /nfs/dbraw/zinc/89/80/61/814898061.db2.gz ZRIJVKSYMFAOPL-JSGCOSHPSA-N 0 3 297.420 2.400 20 10 CECDHN CN1CCC([N@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137831592 815691327 /nfs/dbraw/zinc/69/13/27/815691327.db2.gz GSUSBKZNHIVMAD-UHFFFAOYSA-N 0 3 252.333 2.057 20 10 CECDHN CN1CCC([N@@H+](C)Cc2c([O-])cccc2F)CC1 ZINC001137831592 815691335 /nfs/dbraw/zinc/69/13/35/815691335.db2.gz GSUSBKZNHIVMAD-UHFFFAOYSA-N 0 3 252.333 2.057 20 10 CECDHN CN(C)C1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215624 815750678 /nfs/dbraw/zinc/75/06/78/815750678.db2.gz MDJBIQPJQWXOEI-UHFFFAOYSA-N 0 3 273.424 2.423 20 10 CECDHN CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173636922 815775360 /nfs/dbraw/zinc/77/53/60/815775360.db2.gz PSGAUEIGUVCDQE-YPMHNXCESA-N 0 3 293.363 2.309 20 10 CECDHN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001140341836 816238618 /nfs/dbraw/zinc/23/86/18/816238618.db2.gz JPRLPIVTAPLWCG-IAQYHMDHSA-N 0 3 280.799 2.429 20 10 CECDHN CC[N@H+](CCN(C)C)Cc1ccc(Cl)cc1[O-] ZINC001140461373 816259764 /nfs/dbraw/zinc/25/97/64/816259764.db2.gz JRDUVDTUKYSSAA-UHFFFAOYSA-N 0 3 256.777 2.429 20 10 CECDHN CC[N@@H+](CCN(C)C)Cc1ccc(Cl)cc1[O-] ZINC001140461373 816259770 /nfs/dbraw/zinc/25/97/70/816259770.db2.gz JRDUVDTUKYSSAA-UHFFFAOYSA-N 0 3 256.777 2.429 20 10 CECDHN CCN(CCC(N)=O)Cc1ccc(N(C)C)cc1Cl ZINC001140923940 816411043 /nfs/dbraw/zinc/41/10/43/816411043.db2.gz LSXPLOCVPZEGSQ-UHFFFAOYSA-N 0 3 283.803 2.103 20 10 CECDHN Cc1ccc(CN2CCN(c3cccnc3)CC2)c(O)c1 ZINC001140948124 816422736 /nfs/dbraw/zinc/42/27/36/816422736.db2.gz UKDYXZZAIGVIGX-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950928 816423843 /nfs/dbraw/zinc/42/38/43/816423843.db2.gz PMDNJVFKVGYXJV-GXTWGEPZSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950928 816423847 /nfs/dbraw/zinc/42/38/47/816423847.db2.gz PMDNJVFKVGYXJV-GXTWGEPZSA-N 0 3 277.364 2.332 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC(OC)CC2)c(OC)c1 ZINC001141031290 816450729 /nfs/dbraw/zinc/45/07/29/816450729.db2.gz BOUKBBITXYWKJK-UHFFFAOYSA-N 0 3 281.352 2.020 20 10 CECDHN Cc1cc(O)c(CN(C)[C@@H]2CCCCNC2=O)cc1C ZINC000123883700 365643164 /nfs/dbraw/zinc/64/31/64/365643164.db2.gz YJTHOYKWNHHCPF-CQSZACIVSA-N 0 3 276.380 2.110 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c([O-])c1 ZINC000036976453 361877542 /nfs/dbraw/zinc/87/75/42/361877542.db2.gz XMCIWYWKZKFTSP-AAEUAGOBSA-N 0 3 262.353 2.020 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2c[nH]nc2C)c1 ZINC000038011147 361979358 /nfs/dbraw/zinc/97/93/58/361979358.db2.gz KOWAWBLDQHRUTP-SNVBAGLBSA-N 0 3 261.325 2.283 20 10 CECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1C ZINC000280901010 344674693 /nfs/dbraw/zinc/67/46/93/344674693.db2.gz OLBXEXJWSOVKNL-OBJOEFQTSA-N 0 3 277.364 2.460 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168776093 367359446 /nfs/dbraw/zinc/35/94/46/367359446.db2.gz FEDJCSLPJXCRMA-HZMBPMFUSA-N 0 3 253.342 2.068 20 10 CECDHN CC(C)(C)OC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000174433848 368022723 /nfs/dbraw/zinc/02/27/23/368022723.db2.gz WDBCVPWZSXLPOV-UHFFFAOYSA-N 0 3 251.326 2.214 20 10 CECDHN CC[NH+](CC)CCN(CCOC)Cc1cc(F)ccc1[O-] ZINC000180079176 368367010 /nfs/dbraw/zinc/36/70/10/368367010.db2.gz FMHOPMGRSZPHBN-UHFFFAOYSA-N 0 3 298.402 2.322 20 10 CECDHN CCOCCO[C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000180769620 368394580 /nfs/dbraw/zinc/39/45/80/368394580.db2.gz GLNYWEQIHVVUJZ-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180769620 368394587 /nfs/dbraw/zinc/39/45/87/368394587.db2.gz GLNYWEQIHVVUJZ-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180769620 368394592 /nfs/dbraw/zinc/39/45/92/368394592.db2.gz GLNYWEQIHVVUJZ-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183272693 368620442 /nfs/dbraw/zinc/62/04/42/368620442.db2.gz FWJKJNCBYTUJRV-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000183272693 368620446 /nfs/dbraw/zinc/62/04/46/368620446.db2.gz FWJKJNCBYTUJRV-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000185179258 368761629 /nfs/dbraw/zinc/76/16/29/368761629.db2.gz VCEVUBMOSAKCIS-SECBINFHSA-N 0 3 290.285 2.030 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1 ZINC000185116336 368749966 /nfs/dbraw/zinc/74/99/66/368749966.db2.gz JCBNWAPXIVIXRZ-CQSZACIVSA-N 0 3 292.423 2.198 20 10 CECDHN C[C@H]([NH2+]CCSCCCO)c1cc(F)ccc1[O-] ZINC000185379228 368800039 /nfs/dbraw/zinc/80/00/39/368800039.db2.gz ZXDSVTDXSITUIY-JTQLQIEISA-N 0 3 273.373 2.298 20 10 CECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000188906101 369427514 /nfs/dbraw/zinc/42/75/14/369427514.db2.gz YNZBOCBONNPOPV-ZBFHGGJFSA-N 0 3 297.370 2.187 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000189341605 369501622 /nfs/dbraw/zinc/50/16/22/369501622.db2.gz GYKLGVOEWGYJOK-ZIAGYGMSSA-N 0 3 265.353 2.040 20 10 CECDHN COc1cc(O)c(CN2CC[C@@H](C)[C@@H](OC)C2)cc1OC ZINC000190190867 369602937 /nfs/dbraw/zinc/60/29/37/369602937.db2.gz OBMZPCQGGXQJRW-BZNIZROVSA-N 0 3 295.379 2.266 20 10 CECDHN C[C@@H]([NH2+]CC1(C)OCCCO1)c1cc(F)ccc1[O-] ZINC000190648471 369641770 /nfs/dbraw/zinc/64/17/70/369641770.db2.gz POTKRXCNMPIGCZ-SNVBAGLBSA-N 0 3 269.316 2.335 20 10 CECDHN C[C@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000192177080 369778323 /nfs/dbraw/zinc/77/83/23/369778323.db2.gz BPBDKZGJBKHWJK-SNVBAGLBSA-N 0 3 281.377 2.306 20 10 CECDHN C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000192177080 369778327 /nfs/dbraw/zinc/77/83/27/369778327.db2.gz BPBDKZGJBKHWJK-SNVBAGLBSA-N 0 3 281.377 2.306 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224810412 370282730 /nfs/dbraw/zinc/28/27/30/370282730.db2.gz AJPVDMBHSMMLPQ-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC1(CCO)CCCC1)OCO2 ZINC000266634157 372049737 /nfs/dbraw/zinc/04/97/37/372049737.db2.gz QTVVQAMQFPORAX-UHFFFAOYSA-N 0 3 293.363 2.153 20 10 CECDHN COc1cccc(CN[C@@H]2CCCc3c[nH]nc32)c1O ZINC000268871100 372266394 /nfs/dbraw/zinc/26/63/94/372266394.db2.gz VFXHCNQTZKLAEJ-GFCCVEGCSA-N 0 3 273.336 2.291 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364229770 372699437 /nfs/dbraw/zinc/69/94/37/372699437.db2.gz YKJBOCVUEGYDJB-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000364229770 372699442 /nfs/dbraw/zinc/69/94/42/372699442.db2.gz YKJBOCVUEGYDJB-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)C(F)(F)F ZINC000271015702 373067479 /nfs/dbraw/zinc/06/74/79/373067479.db2.gz TVQPGSWEULOLKB-PWSUYJOCSA-N 0 3 277.286 2.492 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367325510 373148076 /nfs/dbraw/zinc/14/80/76/373148076.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 0 3 260.381 2.337 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367325510 373148084 /nfs/dbraw/zinc/14/80/84/373148084.db2.gz DBYNRHLSGRRGKJ-VNHYZAJKSA-N 0 3 260.381 2.337 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000368102827 373219743 /nfs/dbraw/zinc/21/97/43/373219743.db2.gz QAHYOHIDGKPKSX-WDEREUQCSA-N 0 3 287.363 2.332 20 10 CECDHN Cc1cc(Cl)cc(C[NH+]2CCC(O)CC2)c1[O-] ZINC000271774435 373200195 /nfs/dbraw/zinc/20/01/95/373200195.db2.gz FWOONXIVTMJDCM-UHFFFAOYSA-N 0 3 255.745 2.311 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1O ZINC000273779473 373770827 /nfs/dbraw/zinc/77/08/27/373770827.db2.gz SLDCAQHWZKBAOH-SKDRFNHKSA-N 0 3 285.771 2.257 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1O ZINC000273779473 373770831 /nfs/dbraw/zinc/77/08/31/373770831.db2.gz SLDCAQHWZKBAOH-SKDRFNHKSA-N 0 3 285.771 2.257 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)c([O-])c1C ZINC000273411832 373755525 /nfs/dbraw/zinc/75/55/25/373755525.db2.gz PVMRHEGWJAZVOF-JSGCOSHPSA-N 0 3 276.380 2.328 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC[C@@](C)(O)C(F)(F)F)c1 ZINC000273450701 373757155 /nfs/dbraw/zinc/75/71/55/373757155.db2.gz FYTNCGNWXBFCRK-PRHODGIISA-N 0 3 293.285 2.365 20 10 CECDHN CCn1cc(CN[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000273450645 373757484 /nfs/dbraw/zinc/75/74/84/373757484.db2.gz FWQHPDXGPXFYMO-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@]1(CO)CCOC1 ZINC000273484624 373759270 /nfs/dbraw/zinc/75/92/70/373759270.db2.gz LWDXVMQTAQPRKP-SFHVURJKSA-N 0 3 299.370 2.300 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273484347 373760550 /nfs/dbraw/zinc/76/05/50/373760550.db2.gz MXTAEFJRLUWPNH-BLLLJJGKSA-N 0 3 279.380 2.139 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520446 373762229 /nfs/dbraw/zinc/76/22/29/373762229.db2.gz UAZZDMWTMZWWFD-OLZOCXBDSA-N 0 3 276.380 2.361 20 10 CECDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375410236 374656784 /nfs/dbraw/zinc/65/67/84/374656784.db2.gz GCNIGIZPKOSSGV-INMHGKMJSA-N 0 3 291.391 2.144 20 10 CECDHN C[C@]1(O)CCOC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375410236 374656794 /nfs/dbraw/zinc/65/67/94/374656794.db2.gz GCNIGIZPKOSSGV-INMHGKMJSA-N 0 3 291.391 2.144 20 10 CECDHN Cc1cc(O)c(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1C ZINC000375555988 374661687 /nfs/dbraw/zinc/66/16/87/374661687.db2.gz DBCRLFIUHIRNNF-MRXNPFEDSA-N 0 3 290.363 2.083 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])CCCO1 ZINC000281169112 375361411 /nfs/dbraw/zinc/36/14/11/375361411.db2.gz GSBWZTSEOATPLX-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])CCCO1 ZINC000281169112 375361415 /nfs/dbraw/zinc/36/14/15/375361415.db2.gz GSBWZTSEOATPLX-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000281258289 375367989 /nfs/dbraw/zinc/36/79/89/375367989.db2.gz WJMHIOHQOPKERS-CYBMUJFWSA-N 0 3 297.420 2.319 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)NCCF)cc1 ZINC000282650411 375539840 /nfs/dbraw/zinc/53/98/40/375539840.db2.gz HZUGZOCBGPNEHY-OLZOCXBDSA-N 0 3 295.402 2.268 20 10 CECDHN CCC(CC)(CCO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282988380 375631952 /nfs/dbraw/zinc/63/19/52/375631952.db2.gz MSDJTOXYHYHRKR-UHFFFAOYSA-N 0 3 281.352 2.152 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000284940796 375833685 /nfs/dbraw/zinc/83/36/85/375833685.db2.gz DUTQUSDYPAIOMS-SOUVJXGZSA-N 0 3 293.407 2.305 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000285264153 375838471 /nfs/dbraw/zinc/83/84/71/375838471.db2.gz QNKXFPNULKXHIP-QWHCGFSZSA-N 0 3 297.420 2.094 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000287128161 376155677 /nfs/dbraw/zinc/15/56/77/376155677.db2.gz RNOVYVBSQJIANP-CHWSQXEVSA-N 0 3 297.420 2.176 20 10 CECDHN CC[C@@H]([NH2+]CC(C)(C)OCCO)c1ccccc1[O-] ZINC000287520120 376250191 /nfs/dbraw/zinc/25/01/91/376250191.db2.gz ZOYPTLLSENGVSP-CYBMUJFWSA-N 0 3 267.369 2.220 20 10 CECDHN CCOCC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000288701404 376381121 /nfs/dbraw/zinc/38/11/21/376381121.db2.gz YOTLUGOSUWZNCV-UHFFFAOYSA-N 0 3 281.352 2.273 20 10 CECDHN COC[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000294252979 377955712 /nfs/dbraw/zinc/95/57/12/377955712.db2.gz QBSQFRDLGXFPRU-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000294252979 377955718 /nfs/dbraw/zinc/95/57/18/377955718.db2.gz QBSQFRDLGXFPRU-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)cc1OC ZINC000294923290 378029416 /nfs/dbraw/zinc/02/94/16/378029416.db2.gz BBJDPFWFMVWRQH-SNVBAGLBSA-N 0 3 283.368 2.049 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1 ZINC000294955516 378031223 /nfs/dbraw/zinc/03/12/23/378031223.db2.gz DMILLKQZVIORLE-DGCLKSJQSA-N 0 3 289.322 2.285 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1F ZINC000294961842 378033126 /nfs/dbraw/zinc/03/31/26/378033126.db2.gz WRORCQIHMOYVOP-BETUJISGSA-N 0 3 266.360 2.285 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1cc(OC)c(OC)cc1[O-])OC ZINC000295189158 378047107 /nfs/dbraw/zinc/04/71/07/378047107.db2.gz XBJVSQACAZJGKC-LBPRGKRZSA-N 0 3 283.368 2.314 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000294804145 378021573 /nfs/dbraw/zinc/02/15/73/378021573.db2.gz PEKPETZJTQNDLP-STQMWFEESA-N 0 3 288.391 2.423 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nccnc2C)c1 ZINC000294852999 378023453 /nfs/dbraw/zinc/02/34/53/378023453.db2.gz BLRVBCRNOIVDLN-LLVKDONJSA-N 0 3 287.363 2.393 20 10 CECDHN CCn1cc([C@H](C)NCc2cc3c(cc2O)OCO3)cn1 ZINC000294862205 378024095 /nfs/dbraw/zinc/02/40/95/378024095.db2.gz OKHPFIFHFVLRHN-JTQLQIEISA-N 0 3 289.335 2.188 20 10 CECDHN Cn1cc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000297625535 378688477 /nfs/dbraw/zinc/68/84/77/378688477.db2.gz JBLKIXVNRHNMTB-CQSZACIVSA-N 0 3 271.364 2.335 20 10 CECDHN CC1(C)COCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297734118 378689303 /nfs/dbraw/zinc/68/93/03/378689303.db2.gz NRKJSKFZKLCSOE-CQSZACIVSA-N 0 3 290.407 2.080 20 10 CECDHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1[O-] ZINC000530216493 380197386 /nfs/dbraw/zinc/19/73/86/380197386.db2.gz PSJLDLAYCHXTTN-HZMBPMFUSA-N 0 3 264.344 2.467 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271422682 285398524 /nfs/dbraw/zinc/39/85/24/285398524.db2.gz MPEUAANETYRBOL-CYBMUJFWSA-N 0 3 263.337 2.168 20 10 CECDHN COc1ccc(CNC[C@](C)(O)C(F)(F)F)cc1C ZINC000270459330 394734658 /nfs/dbraw/zinc/73/46/58/394734658.db2.gz FKYZMERGWQYBOQ-LBPRGKRZSA-N 0 3 277.286 2.407 20 10 CECDHN COc1cc(O)c(CN2CCC[C@]23CCOC3)cc1OC ZINC000367047719 394956358 /nfs/dbraw/zinc/95/63/58/394956358.db2.gz LZOALVBLDIWWGJ-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN CCOc1cccc(C[N@H+](CCCOC)CCOC)c1[O-] ZINC000133098542 394943748 /nfs/dbraw/zinc/94/37/48/394943748.db2.gz AZHHGYTZJRCZFY-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCOc1cccc(C[N@@H+](CCCOC)CCOC)c1[O-] ZINC000133098542 394943750 /nfs/dbraw/zinc/94/37/50/394943750.db2.gz AZHHGYTZJRCZFY-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000373152004 395056134 /nfs/dbraw/zinc/05/61/34/395056134.db2.gz IEDFCDHVYTXQLM-GOEBONIOSA-N 0 3 277.364 2.128 20 10 CECDHN COCC(C)(C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000289455247 395077630 /nfs/dbraw/zinc/07/76/30/395077630.db2.gz NPWLZENYXIUPRO-UHFFFAOYSA-N 0 3 253.342 2.163 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000293518890 395237385 /nfs/dbraw/zinc/23/73/85/395237385.db2.gz AWTIVCZJLYDYNT-INIZCTEOSA-N 0 3 291.391 2.050 20 10 CECDHN COc1ccnc(N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179570101 395197109 /nfs/dbraw/zinc/19/71/09/395197109.db2.gz YBOACYYPLBSFEW-UHFFFAOYSA-N 0 3 299.374 2.118 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183268476 395254664 /nfs/dbraw/zinc/25/46/64/395254664.db2.gz PLSJOIXVLIDQSR-UHFFFAOYSA-N 0 3 277.364 2.021 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000183268476 395254668 /nfs/dbraw/zinc/25/46/68/395254668.db2.gz PLSJOIXVLIDQSR-UHFFFAOYSA-N 0 3 277.364 2.021 20 10 CECDHN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1[O-] ZINC000183395445 395256425 /nfs/dbraw/zinc/25/64/25/395256425.db2.gz VLMRWURCWWWPOM-NSHDSACASA-N 0 3 274.320 2.066 20 10 CECDHN CN(C)[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCSC1 ZINC000297507183 395343548 /nfs/dbraw/zinc/34/35/48/395343548.db2.gz CIXRNGJQIVTLAC-XJKSGUPXSA-N 0 3 292.448 2.406 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000186902139 260023498 /nfs/dbraw/zinc/02/34/98/260023498.db2.gz BNXUBZPGRKLIAA-RKDXNWHRSA-N 0 3 288.185 2.495 20 10 CECDHN CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126211249 260346354 /nfs/dbraw/zinc/34/63/54/260346354.db2.gz BRDXEMKLDMDWTA-GFCCVEGCSA-N 0 3 294.395 2.338 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000128100209 260371613 /nfs/dbraw/zinc/37/16/13/260371613.db2.gz OMBBBZUMIWSVCO-HERUPUMHSA-N 0 3 265.353 2.211 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC1(C3CC3)CC1)OCO2 ZINC000130731244 260399405 /nfs/dbraw/zinc/39/94/05/260399405.db2.gz DBIXWMZNNWSNEH-UHFFFAOYSA-N 0 3 261.321 2.401 20 10 CECDHN CCOc1cccc(CN(C)[C@@H]2CCOC2)c1O ZINC000156098779 261113702 /nfs/dbraw/zinc/11/37/02/261113702.db2.gz NEKPYIGRTVEYHA-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CC(=O)N(C)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000179877190 261821027 /nfs/dbraw/zinc/82/10/27/261821027.db2.gz AHMTXUHFSUPUSY-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1[O-] ZINC000184693361 262026032 /nfs/dbraw/zinc/02/60/32/262026032.db2.gz NQVLTMOVFFOIBU-NSHDSACASA-N 0 3 298.814 2.438 20 10 CECDHN COCCN1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185145268 262043942 /nfs/dbraw/zinc/04/39/42/262043942.db2.gz QUZCRKYCZXXKGQ-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1 ZINC000185504743 262056844 /nfs/dbraw/zinc/05/68/44/262056844.db2.gz GQSGABZFUCWGEE-CABCVRRESA-N 0 3 292.423 2.320 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)c1 ZINC000185673399 262065049 /nfs/dbraw/zinc/06/50/49/262065049.db2.gz CFPTUJKDTYMSCH-MBNYWOFBSA-N 0 3 295.379 2.245 20 10 CECDHN C[NH+](C)CC[C@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000185673203 262065249 /nfs/dbraw/zinc/06/52/49/262065249.db2.gz VLOFCFYXPPMZNM-ZDUSSCGKSA-N 0 3 294.395 2.194 20 10 CECDHN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185674113 262065909 /nfs/dbraw/zinc/06/59/09/262065909.db2.gz YSKWLTZHDGPNJF-GMXVVIOVSA-N 0 3 283.343 2.376 20 10 CECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000186597718 262101575 /nfs/dbraw/zinc/10/15/75/262101575.db2.gz JFUAXCZFDKHORA-GDBMZVCRSA-N 0 3 279.380 2.048 20 10 CECDHN CN(C)c1ccc(CN2CCC(F)(F)[C@H](CO)C2)cc1 ZINC000291227290 263121009 /nfs/dbraw/zinc/12/10/09/263121009.db2.gz KAXOFKFKYQVQID-ZDUSSCGKSA-N 0 3 284.350 2.202 20 10 CECDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])C(C)C ZINC000292920171 263136609 /nfs/dbraw/zinc/13/66/09/263136609.db2.gz IDWAUHQYIZSSRO-HNNXBMFYSA-N 0 3 278.396 2.259 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000367439291 267089820 /nfs/dbraw/zinc/08/98/20/267089820.db2.gz SUJSMJIWSNDOLB-LUFJJVMOSA-N 0 3 292.354 2.239 20 10 CECDHN COc1ccc(O)c([C@@H](C)N(C)[C@H]2CCCCNC2=O)c1 ZINC000368015243 267135040 /nfs/dbraw/zinc/13/50/40/267135040.db2.gz CIUAWWBWTXQVNR-RISCZKNCSA-N 0 3 292.379 2.062 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925698 267276995 /nfs/dbraw/zinc/27/69/95/267276995.db2.gz XBGSCINSGFVKPA-TZMCWYRMSA-N 0 3 272.352 2.382 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925698 267276996 /nfs/dbraw/zinc/27/69/96/267276996.db2.gz XBGSCINSGFVKPA-TZMCWYRMSA-N 0 3 272.352 2.382 20 10 CECDHN C[C@@H](CN1CCCCC1)NC(=O)NCc1ccccc1O ZINC000299467896 278252914 /nfs/dbraw/zinc/25/29/14/278252914.db2.gz BYCWOZRMOJUODM-ZDUSSCGKSA-N 0 3 291.395 2.066 20 10 CECDHN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617554 289754017 /nfs/dbraw/zinc/75/40/17/289754017.db2.gz OTZZSGFVYDPKCF-MNOVXSKESA-N 0 3 263.316 2.467 20 10 CECDHN CCOCCN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161878886 327686909 /nfs/dbraw/zinc/68/69/09/327686909.db2.gz GKMLSVBVAYJOAC-CQSZACIVSA-N 0 3 278.396 2.210 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000185376239 327839292 /nfs/dbraw/zinc/83/92/92/327839292.db2.gz SJIQATRQJDQFLV-RBSFLKMASA-N 0 3 292.423 2.460 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCSCCCO)c([O-])c1 ZINC000185378989 327839532 /nfs/dbraw/zinc/83/95/32/327839532.db2.gz MUAZMMMKOHOBDH-GFCCVEGCSA-N 0 3 269.410 2.467 20 10 CECDHN CC[C@@H](NCC(=O)N(C)CC)c1ccc(N(C)C)cc1 ZINC000186813471 327854718 /nfs/dbraw/zinc/85/47/18/327854718.db2.gz YDOMKUCUTWKHJW-OAHLLOKOSA-N 0 3 277.412 2.272 20 10 CECDHN CN(C)Cc1cccc(CNC(=O)Cc2ccc(N)cc2)c1 ZINC000237057080 328004478 /nfs/dbraw/zinc/00/44/78/328004478.db2.gz YBVVROULYHNOMD-UHFFFAOYSA-N 0 3 297.402 2.189 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000270973769 328194293 /nfs/dbraw/zinc/19/42/93/328194293.db2.gz KHRBLDQIFGBKJI-KOLCDFICSA-N 0 3 263.259 2.184 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000271842464 328197844 /nfs/dbraw/zinc/19/78/44/328197844.db2.gz RDZBTHDBFOTLBM-VXGBXAGGSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccccc1[O-] ZINC000377409038 329014568 /nfs/dbraw/zinc/01/45/68/329014568.db2.gz HIJMHBPETGSBGM-MNOVXSKESA-N 0 3 257.337 2.323 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1[O-] ZINC000377409038 329014570 /nfs/dbraw/zinc/01/45/70/329014570.db2.gz HIJMHBPETGSBGM-MNOVXSKESA-N 0 3 257.337 2.323 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@H](CO)C1 ZINC000378500348 329053101 /nfs/dbraw/zinc/05/31/01/329053101.db2.gz UFUZHZQAKWSWPX-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@H](CO)C1 ZINC000378500348 329053102 /nfs/dbraw/zinc/05/31/02/329053102.db2.gz UFUZHZQAKWSWPX-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC2COC2)c2c1c(F)ccc2[O-] ZINC000528027481 330305114 /nfs/dbraw/zinc/30/51/14/330305114.db2.gz UHEQOVOCMINOIV-GZMMTYOYSA-N 0 3 251.301 2.316 20 10 CECDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000225818827 333241233 /nfs/dbraw/zinc/24/12/33/333241233.db2.gz RYYGXGNVFDYTBX-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[N@@H+]2CCCC[C@H]2C1 ZINC000252758308 334390547 /nfs/dbraw/zinc/39/05/47/334390547.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[N@H+]2CCCC[C@H]2C1 ZINC000252758308 334390548 /nfs/dbraw/zinc/39/05/48/334390548.db2.gz BHUKWSKFUJVWCW-ZDUSSCGKSA-N 0 3 264.344 2.201 20 10 CECDHN CCOCC(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000293079504 521670678 /nfs/dbraw/zinc/67/06/78/521670678.db2.gz WDYDYLPDSISAKT-UHFFFAOYSA-N 0 3 267.325 2.026 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000101588943 520370220 /nfs/dbraw/zinc/37/02/20/520370220.db2.gz LPTUQFWBQCNUJY-CQSZACIVSA-N 0 3 265.353 2.450 20 10 CECDHN CCN(CC)[C@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000236870284 520860303 /nfs/dbraw/zinc/86/03/03/520860303.db2.gz JNEVOCWZAPYLPZ-GFCCVEGCSA-N 0 3 266.385 2.221 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](CC)OC)c1 ZINC000289696045 521150102 /nfs/dbraw/zinc/15/01/02/521150102.db2.gz DKHLURQDLYGJMQ-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447722 521152897 /nfs/dbraw/zinc/15/28/97/521152897.db2.gz ZJTGLHMHZCSTSR-HIFRSBDPSA-N 0 3 289.423 2.414 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@H](CO)COC)cc1 ZINC000279927613 521650984 /nfs/dbraw/zinc/65/09/84/521650984.db2.gz XWGCVQYOUNABEJ-MRXNPFEDSA-N 0 3 294.439 2.410 20 10 CECDHN CN(C)c1ccc(CN(C)CC(C)(C)O)cc1F ZINC000126392270 522169679 /nfs/dbraw/zinc/16/96/79/522169679.db2.gz HFWSVPTVOOSKRI-UHFFFAOYSA-N 0 3 254.349 2.094 20 10 CECDHN CN(C)c1ccc(CNC(=O)C2(N)CCCCC2)cc1 ZINC000040825861 522184110 /nfs/dbraw/zinc/18/41/10/522184110.db2.gz HKXWQOFOVOLXJF-UHFFFAOYSA-N 0 3 275.396 2.030 20 10 CECDHN COC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000279599242 522933261 /nfs/dbraw/zinc/93/32/61/522933261.db2.gz DHQQSFWISCNUNF-UHFFFAOYSA-N 0 3 281.327 2.497 20 10 CECDHN C[C@@H](C(=O)NCCc1ccc(N)cc1)[C@H](N)c1ccccc1 ZINC000262583170 524191318 /nfs/dbraw/zinc/19/13/18/524191318.db2.gz RJMFASYWBCUFBX-DYVFJYSZSA-N 0 3 297.402 2.264 20 10 CECDHN C[C@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279935112 524564886 /nfs/dbraw/zinc/56/48/86/524564886.db2.gz NIVZUYFSYIQLNB-SECBINFHSA-N 0 3 276.302 2.242 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721664 524759672 /nfs/dbraw/zinc/75/96/72/524759672.db2.gz SZSJVBQYBMCELT-SNVBAGLBSA-N 0 3 251.326 2.088 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1C ZINC000278866541 525924947 /nfs/dbraw/zinc/92/49/47/525924947.db2.gz RODYTVFOEVUZMX-WOSRLPQWSA-N 0 3 279.380 2.200 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCCCO)C[C@@H]1CCCO1 ZINC000264647751 527537551 /nfs/dbraw/zinc/53/75/51/527537551.db2.gz ZFCCZHPEUDGWTC-HNNXBMFYSA-N 0 3 279.380 2.146 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCCCO)C[C@@H]1CCCO1 ZINC000264647751 527537556 /nfs/dbraw/zinc/53/75/56/527537556.db2.gz ZFCCZHPEUDGWTC-HNNXBMFYSA-N 0 3 279.380 2.146 20 10 CECDHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([O-])cs1 ZINC000732258615 574616088 /nfs/dbraw/zinc/61/60/88/574616088.db2.gz WPTLFHYMERLBPH-LLVKDONJSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc([O-])cs1 ZINC000732258615 574616089 /nfs/dbraw/zinc/61/60/89/574616089.db2.gz WPTLFHYMERLBPH-LLVKDONJSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756572655 574821245 /nfs/dbraw/zinc/82/12/45/574821245.db2.gz NHYWLOHTPRVLCN-WCABBAIRSA-N 0 3 253.317 2.440 20 10 CECDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000743499641 575105585 /nfs/dbraw/zinc/10/55/85/575105585.db2.gz LKMNZKXEPWSJTC-YPMHNXCESA-N 0 3 267.369 2.288 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](O)c2ccco2)c([O-])c1 ZINC000747098919 575167150 /nfs/dbraw/zinc/16/71/50/575167150.db2.gz HLYHHLHHFPDFDK-AWEZNQCLSA-N 0 3 277.320 2.207 20 10 CECDHN CCC[C@](C)(CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000751501881 575290761 /nfs/dbraw/zinc/29/07/61/575290761.db2.gz RUGUGPNTUNLLHX-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN CCCNC(=O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000045072330 624484759 /nfs/dbraw/zinc/48/47/59/624484759.db2.gz VNSMIVMQDKBLQZ-GFCCVEGCSA-N 0 3 264.369 2.268 20 10 CECDHN COCC[C@H](COC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000311741990 627695195 /nfs/dbraw/zinc/69/51/95/627695195.db2.gz BKIAIBGGXITVES-ZYHUDNBSSA-N 0 3 271.332 2.233 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+](C)C)[C@H]2C)c1[O-] ZINC000314399510 627927196 /nfs/dbraw/zinc/92/71/96/627927196.db2.gz XASFWSBKQGRZTI-BMIGLBTASA-N 0 3 294.370 2.258 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCON)c1[O-] ZINC000902416139 634642620 /nfs/dbraw/zinc/64/26/20/634642620.db2.gz SQUACBRQZYXLDS-SECBINFHSA-N 0 3 258.749 2.285 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CCc2n[nH]c(=O)cc2C1 ZINC000840937114 628754824 /nfs/dbraw/zinc/75/48/24/628754824.db2.gz HRKOTJYQLQJAOK-UHFFFAOYSA-N 0 3 298.390 2.115 20 10 CECDHN COc1cccc(CNCc2cnn3ccccc23)c1O ZINC000796479306 629916578 /nfs/dbraw/zinc/91/65/78/629916578.db2.gz CYJVDWMFZMDREN-UHFFFAOYSA-N 0 3 283.331 2.338 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@H]1CO ZINC000895150248 629966157 /nfs/dbraw/zinc/96/61/57/629966157.db2.gz IVJMXNVNGSBKJM-ZDUSSCGKSA-N 0 3 253.317 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895150248 629966161 /nfs/dbraw/zinc/96/61/61/629966161.db2.gz IVJMXNVNGSBKJM-ZDUSSCGKSA-N 0 3 253.317 2.268 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895437334 630189236 /nfs/dbraw/zinc/18/92/36/630189236.db2.gz JLXAIFHDLZOKCL-TZMCWYRMSA-N 0 3 253.317 2.267 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000895437334 630189239 /nfs/dbraw/zinc/18/92/39/630189239.db2.gz JLXAIFHDLZOKCL-TZMCWYRMSA-N 0 3 253.317 2.267 20 10 CECDHN FC[C@H]1CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895575932 630255927 /nfs/dbraw/zinc/25/59/27/630255927.db2.gz WEDRBWMNRKJBQZ-CQSZACIVSA-N 0 3 296.361 2.454 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000896626946 630615940 /nfs/dbraw/zinc/61/59/40/630615940.db2.gz DIBFZZXAOSEABE-UHFFFAOYSA-N 0 3 291.391 2.112 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCN(C)C)c2c1c(F)ccc2[O-] ZINC000806171460 631723951 /nfs/dbraw/zinc/72/39/51/631723951.db2.gz JMXXIMDYWSHNHI-GXSJLCMTSA-N 0 3 252.333 2.231 20 10 CECDHN C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([O-])cs1 ZINC000807776955 631870188 /nfs/dbraw/zinc/87/01/88/631870188.db2.gz JILBXJLCAOGLTH-ZYHUDNBSSA-N 0 3 280.393 2.153 20 10 CECDHN C[C@@H]1[C@H](N2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776955 631870197 /nfs/dbraw/zinc/87/01/97/631870197.db2.gz JILBXJLCAOGLTH-ZYHUDNBSSA-N 0 3 280.393 2.153 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000808703596 632002827 /nfs/dbraw/zinc/00/28/27/632002827.db2.gz PCDWQEKDINWNNQ-DTWKUNHWSA-N 0 3 270.760 2.269 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CC2(CO)COC2)c1[O-] ZINC000808708025 632003387 /nfs/dbraw/zinc/00/33/87/632003387.db2.gz FMLPNCVIAODTHN-JTQLQIEISA-N 0 3 285.771 2.014 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@@H](O)C2CC2)c([O-])c1 ZINC000898206837 632087384 /nfs/dbraw/zinc/08/73/84/632087384.db2.gz WXCSHLPVGQXWNS-CQSZACIVSA-N 0 3 265.353 2.042 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809779105 632144926 /nfs/dbraw/zinc/14/49/26/632144926.db2.gz DJDPQLIZZYWPSN-ZDUSSCGKSA-N 0 3 278.352 2.103 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809779105 632144929 /nfs/dbraw/zinc/14/49/29/632144929.db2.gz DJDPQLIZZYWPSN-ZDUSSCGKSA-N 0 3 278.352 2.103 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](CC)OC)c([O-])c1 ZINC000810176839 632191590 /nfs/dbraw/zinc/19/15/90/632191590.db2.gz ZJLXULBVUMUIHY-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(CN[C@@H]2CCC[NH2+]CC2)c1[O-] ZINC000841056757 632359441 /nfs/dbraw/zinc/35/94/41/632359441.db2.gz DBVJOVDXBXIJNY-LLVKDONJSA-N 0 3 299.758 2.186 20 10 CECDHN CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812387881 632521709 /nfs/dbraw/zinc/52/17/09/632521709.db2.gz UHWOCPVEMUIMAL-SNVBAGLBSA-N 0 3 270.398 2.304 20 10 CECDHN CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000812387881 632521712 /nfs/dbraw/zinc/52/17/12/632521712.db2.gz UHWOCPVEMUIMAL-SNVBAGLBSA-N 0 3 270.398 2.304 20 10 CECDHN CCNC(=O)[C@@H]([NH2+]Cc1ccc(OCC)cc1[O-])C(C)C ZINC000815144510 632970505 /nfs/dbraw/zinc/97/05/05/632970505.db2.gz FWSNWNTXYOTWNO-HNNXBMFYSA-N 0 3 294.395 2.041 20 10 CECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000816639049 633454312 /nfs/dbraw/zinc/45/43/12/633454312.db2.gz GBBJRDMSYNQWNM-VIFPVBQESA-N 0 3 262.284 2.483 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942391 633791076 /nfs/dbraw/zinc/79/10/76/633791076.db2.gz YFRLBPLKIPSKOJ-AAEUAGOBSA-N 0 3 252.333 2.324 20 10 CECDHN C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000817948931 633795112 /nfs/dbraw/zinc/79/51/12/633795112.db2.gz FLVNHHVVQQNSLP-MWLCHTKSSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1cc(F)cc(F)c1[O-] ZINC000817948931 633795115 /nfs/dbraw/zinc/79/51/15/633795115.db2.gz FLVNHHVVQQNSLP-MWLCHTKSSA-N 0 3 270.323 2.463 20 10 CECDHN CC[NH2+]CCN[C@@H](C)c1ccc(Br)cc1[O-] ZINC000817951976 633795607 /nfs/dbraw/zinc/79/56/07/633795607.db2.gz MBZVARDEHAAEEN-VIFPVBQESA-N 0 3 287.201 2.415 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1[O-] ZINC000817975811 633818222 /nfs/dbraw/zinc/81/82/22/633818222.db2.gz CHJQIYDWUOIKKX-GVXVVHGQSA-N 0 3 252.333 2.133 20 10 CECDHN C[C@H]([NH2+]C1CC(CCO)C1)c1cc(F)ccc1[O-] ZINC000903328543 635077146 /nfs/dbraw/zinc/07/71/46/635077146.db2.gz CFJQIQFPLPXIFC-BMQDGWLCSA-N 0 3 253.317 2.343 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(CF)CCOCC1 ZINC000824794300 635499539 /nfs/dbraw/zinc/49/95/39/635499539.db2.gz CVAIMHFCGOIAPF-UHFFFAOYSA-N 0 3 283.343 2.257 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000825045636 635548210 /nfs/dbraw/zinc/54/82/10/635548210.db2.gz IJNJUHWRJYNORA-LBPRGKRZSA-N 0 3 289.379 2.245 20 10 CECDHN CC1(C)C[NH2+]C[C@H]1NCc1c([O-])cccc1Cl ZINC000904464229 635636260 /nfs/dbraw/zinc/63/62/60/635636260.db2.gz UKKCWZWVJYMRLV-GFCCVEGCSA-N 0 3 254.761 2.133 20 10 CECDHN COc1cccc(CNCc2ccnn2CC2CC2)c1O ZINC000825916264 635731753 /nfs/dbraw/zinc/73/17/53/635731753.db2.gz LXOJAXYMLWOSFM-UHFFFAOYSA-N 0 3 287.363 2.297 20 10 CECDHN CCOc1ccc(CN2CCCc3n[nH]cc3C2)c(O)c1 ZINC000828013920 636486533 /nfs/dbraw/zinc/48/65/33/636486533.db2.gz OOBMWPRAOYWDCU-UHFFFAOYSA-N 0 3 287.363 2.462 20 10 CECDHN CC(C)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000828539543 636624296 /nfs/dbraw/zinc/62/42/96/636624296.db2.gz PYHMEOAXEODIPM-GXTWGEPZSA-N 0 3 276.380 2.442 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876509530 650296115 /nfs/dbraw/zinc/29/61/15/650296115.db2.gz IIIBZNGZHCYIER-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876509530 650296116 /nfs/dbraw/zinc/29/61/16/650296116.db2.gz IIIBZNGZHCYIER-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)N[C@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000876582432 650345630 /nfs/dbraw/zinc/34/56/30/650345630.db2.gz ZDZLGWGIJSIXQH-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN CCCNC(=O)CN(CCC)Cc1c(C)cccc1O ZINC000876625586 650365484 /nfs/dbraw/zinc/36/54/84/650365484.db2.gz ZEASUPWBWPUZMN-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834897825 637981522 /nfs/dbraw/zinc/98/15/22/637981522.db2.gz WALZAWALRLJZGL-RISCZKNCSA-N 0 3 271.364 2.334 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000834911804 637986383 /nfs/dbraw/zinc/98/63/83/637986383.db2.gz BDONDGDUFBKQSI-JKOKRWQUSA-N 0 3 292.354 2.335 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c([O-])c1 ZINC000834910390 637986423 /nfs/dbraw/zinc/98/64/23/637986423.db2.gz WTMYTROICJGWRQ-IAQYHMDHSA-N 0 3 262.353 2.020 20 10 CECDHN Cc1ccc(C[NH2+]CCc2nnc3ccccn32)c([O-])c1 ZINC000876897940 650478013 /nfs/dbraw/zinc/47/80/13/650478013.db2.gz OEKLHQLUXNMQTF-UHFFFAOYSA-N 0 3 282.347 2.076 20 10 CECDHN Cc1n[nH]cc1CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876923609 650487791 /nfs/dbraw/zinc/48/77/91/650487791.db2.gz XMMHYFUJOMQLFT-UHFFFAOYSA-N 0 3 259.353 2.455 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1CCC(O)CC1 ZINC000227649812 639599317 /nfs/dbraw/zinc/59/93/17/639599317.db2.gz AJEYNXBCWFDYOF-UHFFFAOYSA-N 0 3 253.317 2.172 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000840957845 639601494 /nfs/dbraw/zinc/60/14/94/639601494.db2.gz GKJPUTWIOZGMQQ-UWVGGRQHSA-N 0 3 253.367 2.384 20 10 CECDHN COC[C@]1(CNCc2c([O-])cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067092 639642541 /nfs/dbraw/zinc/64/25/41/639642541.db2.gz KAKLEPPOBWDIGK-OAHLLOKOSA-N 0 3 298.814 2.212 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@H]2CNCCC2(F)F)cc1 ZINC000841079607 639648149 /nfs/dbraw/zinc/64/81/49/639648149.db2.gz MHGOOXPNEHYWKK-JZIMQPMSSA-N 0 3 295.377 2.353 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)CCCCC1 ZINC000231036493 639823980 /nfs/dbraw/zinc/82/39/80/639823980.db2.gz CRRIRSUGLXZZMP-UHFFFAOYSA-N 0 3 253.317 2.316 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000311210128 639887109 /nfs/dbraw/zinc/88/71/09/639887109.db2.gz KZKNJEBSCHJXAB-GWCFXTLKSA-N 0 3 266.772 2.229 20 10 CECDHN Oc1cc2c(cc1CN[C@@H]1COCc3ccccc31)OCO2 ZINC000841891329 639900252 /nfs/dbraw/zinc/90/02/52/639900252.db2.gz OHIXOCQUYVKNMX-CQSZACIVSA-N 0 3 299.326 2.482 20 10 CECDHN Cc1ccc(C[NH2+]CCOc2cccnc2)c([O-])c1 ZINC000877037946 650542279 /nfs/dbraw/zinc/54/22/79/650542279.db2.gz DNSRJJMSRADDJF-UHFFFAOYSA-N 0 3 258.321 2.264 20 10 CECDHN Cc1ccc(C[NH2+]CC2(O)Cc3ccccc3C2)c([O-])c1 ZINC000877057804 650552571 /nfs/dbraw/zinc/55/25/71/650552571.db2.gz OYEBSZWYRIQMLY-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN Cc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c([O-])c1 ZINC000877070781 650559135 /nfs/dbraw/zinc/55/91/35/650559135.db2.gz VUDUUWPROSOKRT-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN Cc1cc([O-])c(CN2CCC([NH3+])CC2)c(Cl)c1 ZINC000843047305 640252639 /nfs/dbraw/zinc/25/26/39/640252639.db2.gz KWARKWGIDATECV-UHFFFAOYSA-N 0 3 254.761 2.277 20 10 CECDHN C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(Cl)c1[O-] ZINC000843058520 640261615 /nfs/dbraw/zinc/26/16/15/640261615.db2.gz VBMSODVKMFUOCS-NXEZZACHSA-N 0 3 254.761 2.215 20 10 CECDHN CN(Cc1cc(Cl)cc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125606 640292025 /nfs/dbraw/zinc/29/20/25/640292025.db2.gz YPEGBZNMOCPZQA-UHFFFAOYSA-N 0 3 258.724 2.106 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1[O-] ZINC000843346100 640397431 /nfs/dbraw/zinc/39/74/31/640397431.db2.gz LSVAJBNEGJGCIP-MEBBXXQBSA-N 0 3 294.370 2.436 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000846096356 641179082 /nfs/dbraw/zinc/17/90/82/641179082.db2.gz GWODYRQELKZHGG-GXTWGEPZSA-N 0 3 276.380 2.301 20 10 CECDHN CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000846187510 641215902 /nfs/dbraw/zinc/21/59/02/641215902.db2.gz ANALSRYRDFMGNL-NTZNESFSSA-N 0 3 262.353 2.005 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846204639 641220153 /nfs/dbraw/zinc/22/01/53/641220153.db2.gz AGNYHRXPPZXHBT-CHWSQXEVSA-N 0 3 288.391 2.362 20 10 CECDHN C[C@H](NC(=O)C1(N)Cc2ccccc2C1)c1ccccc1O ZINC000877255464 650644309 /nfs/dbraw/zinc/64/43/09/650644309.db2.gz DRQHDUOKUBSBDU-LBPRGKRZSA-N 0 3 296.370 2.066 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575653 642063721 /nfs/dbraw/zinc/06/37/21/642063721.db2.gz URHHWBSKPCTISU-LSDHHAIUSA-N 0 3 260.381 2.499 20 10 CECDHN CC(C)[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000083511802 642196969 /nfs/dbraw/zinc/19/69/69/642196969.db2.gz GJOQVSBSMMDVFY-CYBMUJFWSA-N 0 3 268.788 2.475 20 10 CECDHN CCNC(=O)C1(C[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877474797 650738670 /nfs/dbraw/zinc/73/86/70/650738670.db2.gz GBLNROZOJFLWLH-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN Cc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c([O-])c1 ZINC000877496843 650751528 /nfs/dbraw/zinc/75/15/28/650751528.db2.gz ZWZMOJOOTRZJSR-GOSISDBHSA-N 0 3 267.394 2.091 20 10 CECDHN CCOC1CC(C[NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000877493874 650749402 /nfs/dbraw/zinc/74/94/02/650749402.db2.gz PWWYNBCUFYLACM-UHFFFAOYSA-N 0 3 265.353 2.306 20 10 CECDHN COc1ncc(CNCc2cccc(OC)c2O)s1 ZINC000877525581 650767389 /nfs/dbraw/zinc/76/73/89/650767389.db2.gz IIULVODSBMRWSP-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN COc1ccc(N2CC[C@@H](NCC3(F)CC3)C2)cc1 ZINC000850347878 642675700 /nfs/dbraw/zinc/67/57/00/642675700.db2.gz ZNXQXMHYXFHKDX-GFCCVEGCSA-N 0 3 264.344 2.366 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850379030 642690805 /nfs/dbraw/zinc/69/08/05/642690805.db2.gz YGYXZCHQAWXDNF-KGLIPLIRSA-N 0 3 299.317 2.305 20 10 CECDHN COc1ccncc1CNCc1ccc(C)cc1O ZINC000877549070 650780828 /nfs/dbraw/zinc/78/08/28/650780828.db2.gz XPMBQDMVTXPFPY-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000877561296 650790563 /nfs/dbraw/zinc/79/05/63/650790563.db2.gz DRHDOALIHDQKHV-OAGGEKHMSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000877561296 650790564 /nfs/dbraw/zinc/79/05/64/650790564.db2.gz DRHDOALIHDQKHV-OAGGEKHMSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@H+](CCO)C2CCSCC2)c([O-])c1 ZINC000877574237 650795748 /nfs/dbraw/zinc/79/57/48/650795748.db2.gz ZYWNJZFBLQJWGS-UHFFFAOYSA-N 0 3 281.421 2.391 20 10 CECDHN Cc1ccc(C[N@@H+](CCO)C2CCSCC2)c([O-])c1 ZINC000877574237 650795750 /nfs/dbraw/zinc/79/57/50/650795750.db2.gz ZYWNJZFBLQJWGS-UHFFFAOYSA-N 0 3 281.421 2.391 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000877593965 650806082 /nfs/dbraw/zinc/80/60/82/650806082.db2.gz KSXNZJKNECTSFC-UHFFFAOYSA-N 0 3 293.407 2.358 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H](CO)CCc1ccccc1 ZINC000922544994 643118648 /nfs/dbraw/zinc/11/86/48/643118648.db2.gz XBDTVOHJJOLHNE-INIZCTEOSA-N 0 3 271.360 2.476 20 10 CECDHN CN(C)c1ccc(CN2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000852295651 643383074 /nfs/dbraw/zinc/38/30/74/643383074.db2.gz GWHKEQKNFQJFRE-UHFFFAOYSA-N 0 3 285.391 2.122 20 10 CECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2c([O-])cccc2OC)C[C@@H]1C ZINC000877666801 650841332 /nfs/dbraw/zinc/84/13/32/650841332.db2.gz NWQMRJUMPULUNO-ZBEGNZNMSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2c([O-])cccc2OC)C[C@@H]1C ZINC000877666801 650841334 /nfs/dbraw/zinc/84/13/34/650841334.db2.gz NWQMRJUMPULUNO-ZBEGNZNMSA-N 0 3 293.363 2.032 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CC1(C)C ZINC000853628030 643838073 /nfs/dbraw/zinc/83/80/73/643838073.db2.gz LTVMIQXMYVUHIE-RISCZKNCSA-N 0 3 277.364 2.296 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C[C@H]1CC1(C)C ZINC000853628030 643838076 /nfs/dbraw/zinc/83/80/76/643838076.db2.gz LTVMIQXMYVUHIE-RISCZKNCSA-N 0 3 277.364 2.296 20 10 CECDHN COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1ccc(C)cc1[O-])C2 ZINC000877724513 650872281 /nfs/dbraw/zinc/87/22/81/650872281.db2.gz XCCIHPIGTOXMKD-WWGRRREGSA-N 0 3 275.348 2.132 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@@H]1SC ZINC000839067028 644137584 /nfs/dbraw/zinc/13/75/84/644137584.db2.gz MCBVBZSOTKXPNL-YUELXQCFSA-N 0 3 297.420 2.399 20 10 CECDHN COc1ccc(CNCc2cnc(C3CC3)nc2)c(O)c1 ZINC000839067388 644138024 /nfs/dbraw/zinc/13/80/24/644138024.db2.gz VHGBUYVLDJIUJF-UHFFFAOYSA-N 0 3 285.347 2.358 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnc(C3CC3)nc2)c([O-])c1 ZINC000839067388 644138027 /nfs/dbraw/zinc/13/80/27/644138027.db2.gz VHGBUYVLDJIUJF-UHFFFAOYSA-N 0 3 285.347 2.358 20 10 CECDHN C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)c1ccccc1[O-] ZINC000877755575 650899264 /nfs/dbraw/zinc/89/92/64/650899264.db2.gz FUMDNBDRTNLNAQ-LLVKDONJSA-N 0 3 274.368 2.043 20 10 CECDHN COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])[nH]1 ZINC000877757142 650900072 /nfs/dbraw/zinc/90/00/72/650900072.db2.gz IZDNKDJIHSWDON-JTQLQIEISA-N 0 3 274.320 2.358 20 10 CECDHN COc1cc(C)cc(CN2CCN(C3CCC3)CC2)c1O ZINC000754726032 644421064 /nfs/dbraw/zinc/42/10/64/644421064.db2.gz JZGBSPJUAQGZEN-UHFFFAOYSA-N 0 3 290.407 2.379 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2COCCO2)c2c1c(F)ccc2[O-] ZINC000756433590 644648943 /nfs/dbraw/zinc/64/89/43/644648943.db2.gz DLZMJWYGTUMHDW-JFGNBEQYSA-N 0 3 281.327 2.085 20 10 CECDHN CNC(=O)CCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756483586 644653134 /nfs/dbraw/zinc/65/31/34/644653134.db2.gz PADHCWHQIXVZLS-ONGXEEELSA-N 0 3 280.343 2.195 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000756557841 644665737 /nfs/dbraw/zinc/66/57/37/644665737.db2.gz WQQGIXCHHBKDPL-GXTWGEPZSA-N 0 3 288.391 2.119 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756583609 644671410 /nfs/dbraw/zinc/67/14/10/644671410.db2.gz CIMWWDOKVZLHDL-IETSOEAISA-N 0 3 297.370 2.457 20 10 CECDHN C[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756584992 644672779 /nfs/dbraw/zinc/67/27/79/644672779.db2.gz IDVFHWQYDWHGLW-FXPVBKGRSA-N 0 3 253.317 2.440 20 10 CECDHN COC1CCN(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756641112 644677885 /nfs/dbraw/zinc/67/78/85/644677885.db2.gz GHASVLXQUOCYAY-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000857084287 644813715 /nfs/dbraw/zinc/81/37/15/644813715.db2.gz LNHZRPQLJXKUBG-UFGOTCBOSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757659322 644833126 /nfs/dbraw/zinc/83/31/26/644833126.db2.gz YGBHBSZZFXGGMU-CGMWZMNDSA-N 0 3 285.384 2.436 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H]2CCN(C3CC3)C2)cc1F ZINC000858128030 645069522 /nfs/dbraw/zinc/06/95/22/645069522.db2.gz YOZUATWSLNFPJS-LBPRGKRZSA-N 0 3 295.377 2.357 20 10 CECDHN CCOc1ccc(C[NH2+]CCN(C)CC(F)F)c([O-])c1 ZINC000858336436 645124303 /nfs/dbraw/zinc/12/43/03/645124303.db2.gz ICEDBVKJBRSDLP-UHFFFAOYSA-N 0 3 288.338 2.077 20 10 CECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000858588234 645215352 /nfs/dbraw/zinc/21/53/52/645215352.db2.gz XNBBJGTUWVJCSB-NGZCFLSTSA-N 0 3 296.342 2.078 20 10 CECDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])cs3)CC[C@H]21 ZINC000768265636 646102534 /nfs/dbraw/zinc/10/25/34/646102534.db2.gz VKWYNLKSQNWGLC-ZYHUDNBSSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])cs3)CC[C@H]21 ZINC000768265636 646102542 /nfs/dbraw/zinc/10/25/42/646102542.db2.gz VKWYNLKSQNWGLC-ZYHUDNBSSA-N 0 3 280.393 2.010 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)N(C)C)cc1 ZINC000773048433 646700240 /nfs/dbraw/zinc/70/02/40/646700240.db2.gz RCBPVKKTCPCSON-QWHCGFSZSA-N 0 3 277.412 2.270 20 10 CECDHN CCCCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775829941 646997406 /nfs/dbraw/zinc/99/74/06/646997406.db2.gz BEJRNYZDOUJQTN-ZDUSSCGKSA-N 0 3 277.412 2.320 20 10 CECDHN CC(C)N(Cc1ccc(N(C)C)cc1)Cn1cnnc1 ZINC000776757273 647087866 /nfs/dbraw/zinc/08/78/66/647087866.db2.gz LGKXESLCYLBGEJ-UHFFFAOYSA-N 0 3 273.384 2.212 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000779023970 647283143 /nfs/dbraw/zinc/28/31/43/647283143.db2.gz AEVVDJBYAYXUOV-HNNXBMFYSA-N 0 3 277.364 2.162 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000779152975 647292561 /nfs/dbraw/zinc/29/25/61/647292561.db2.gz IQENZDYLVIXXGS-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000779152975 647292565 /nfs/dbraw/zinc/29/25/65/647292565.db2.gz IQENZDYLVIXXGS-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000865710591 647433369 /nfs/dbraw/zinc/43/33/69/647433369.db2.gz CBZYKNXSRQOMEQ-SKDRFNHKSA-N 0 3 276.302 2.154 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780892562 647478276 /nfs/dbraw/zinc/47/82/76/647478276.db2.gz LMXJPXRDSUUMQH-QWHCGFSZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780892562 647478277 /nfs/dbraw/zinc/47/82/77/647478277.db2.gz LMXJPXRDSUUMQH-QWHCGFSZSA-N 0 3 279.380 2.384 20 10 CECDHN COCCN(Cc1ccc(N(C)C)c(F)c1)[C@@H]1CCOC1 ZINC000787335038 648100567 /nfs/dbraw/zinc/10/05/67/648100567.db2.gz PIUHDXDZYLSMNP-CQSZACIVSA-N 0 3 296.386 2.129 20 10 CECDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000787421825 648107408 /nfs/dbraw/zinc/10/74/08/648107408.db2.gz XFPYCGRKSXQSCV-WCQYABFASA-N 0 3 294.370 2.275 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c([O-])c1 ZINC000787420843 648107923 /nfs/dbraw/zinc/10/79/23/648107923.db2.gz KYLZOKDNDKSCTL-SMDDNHRTSA-N 0 3 293.363 2.174 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@@H]2C)c([O-])c1 ZINC000787420843 648107925 /nfs/dbraw/zinc/10/79/25/648107925.db2.gz KYLZOKDNDKSCTL-SMDDNHRTSA-N 0 3 293.363 2.174 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788271129 648168040 /nfs/dbraw/zinc/16/80/40/648168040.db2.gz YODKCHKVQUFAHU-SKDRFNHKSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788271129 648168043 /nfs/dbraw/zinc/16/80/43/648168043.db2.gz YODKCHKVQUFAHU-SKDRFNHKSA-N 0 3 255.745 2.309 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@]2(C)CO)c([O-])c1 ZINC000789557788 648317118 /nfs/dbraw/zinc/31/71/18/648317118.db2.gz MVOQNKRKIJECQY-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@]2(C)CO)c([O-])c1 ZINC000789557788 648317123 /nfs/dbraw/zinc/31/71/23/648317123.db2.gz MVOQNKRKIJECQY-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@H](O)C(C)(C)C2)c1O ZINC000790936445 648462111 /nfs/dbraw/zinc/46/21/11/648462111.db2.gz CVKAHIXSIDAKQB-LBPRGKRZSA-N 0 3 285.771 2.257 20 10 CECDHN CCCOc1ccc(CN[C@@H]2C(=O)NCC[C@H]2C)cc1C ZINC000873122548 649562863 /nfs/dbraw/zinc/56/28/63/649562863.db2.gz SUCMNDSHNREMCT-WBMJQRKESA-N 0 3 290.407 2.398 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1[O-] ZINC000879649458 651335333 /nfs/dbraw/zinc/33/53/33/651335333.db2.gz UHBPITKWCFLNLB-RKDXNWHRSA-N 0 3 263.259 2.356 20 10 CECDHN C[C@H]([NH2+]CCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879650171 651335744 /nfs/dbraw/zinc/33/57/44/651335744.db2.gz NCICXCDKOFQFGR-IHRRRGAJSA-N 0 3 278.396 2.152 20 10 CECDHN Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650344 651335858 /nfs/dbraw/zinc/33/58/58/651335858.db2.gz VQURSUONRMJGGE-SNVBAGLBSA-N 0 3 290.323 2.156 20 10 CECDHN Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccccc2[O-])no1 ZINC000879652374 651336093 /nfs/dbraw/zinc/33/60/93/651336093.db2.gz ZLWOSFWFUYXMRY-NSHDSACASA-N 0 3 289.335 2.368 20 10 CECDHN C[C@@H](NC(=O)CN(C)C1CCC1)c1ccccc1O ZINC000881441437 651724366 /nfs/dbraw/zinc/72/43/66/651724366.db2.gz WWJIPLRCCJQLKM-LLVKDONJSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000883395359 652454117 /nfs/dbraw/zinc/45/41/17/652454117.db2.gz RWIMCRKRFMBPEH-MFKMUULPSA-N 0 3 292.354 2.193 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000883395358 652454306 /nfs/dbraw/zinc/45/43/06/652454306.db2.gz RWIMCRKRFMBPEH-GXFFZTMASA-N 0 3 292.354 2.193 20 10 CECDHN COc1ccc(O)c([C@H](C)NCC(=O)N2CCCCC2)c1 ZINC000135728274 652984056 /nfs/dbraw/zinc/98/40/56/652984056.db2.gz PBVPUOLPSQXXHM-LBPRGKRZSA-N 0 3 292.379 2.064 20 10 CECDHN COc1cc(O)c(CN2C[C@@H]3C[C@H]2CS3)cc1OC ZINC000839193482 805575107 /nfs/dbraw/zinc/57/51/07/805575107.db2.gz VACRJOCWNWCEBM-QWRGUYRKSA-N 0 3 281.377 2.099 20 10 CECDHN C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1[O-] ZINC000690724255 802881031 /nfs/dbraw/zinc/88/10/31/802881031.db2.gz DQSFWHOYFDLCGS-JOYOIKCWSA-N 0 3 257.280 2.467 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694591858 803571799 /nfs/dbraw/zinc/57/17/99/803571799.db2.gz WUQZTIWNNVJSTO-GXTWGEPZSA-N 0 3 297.420 2.400 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001237488341 808221490 /nfs/dbraw/zinc/22/14/90/808221490.db2.gz TTWPKLIUSOLMRM-UHFFFAOYSA-N 0 3 278.371 2.319 20 10 CECDHN CCN1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001116433846 808810006 /nfs/dbraw/zinc/81/00/06/808810006.db2.gz LDOWWJOASJJCQU-UHFFFAOYSA-N 0 3 273.424 2.424 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2CSC2)c1[O-] ZINC000701983776 809482599 /nfs/dbraw/zinc/48/25/99/809482599.db2.gz XJGZBFXSHZYRIS-UHFFFAOYSA-N 0 3 259.758 2.259 20 10 CECDHN Cc1cc(C)c(C[NH2+][C@H]2CCN3C(=O)CC[C@@H]3C2)c([O-])c1 ZINC001172163233 815325584 /nfs/dbraw/zinc/32/55/84/815325584.db2.gz UUAORNWVWBIZHC-UONOGXRCSA-N 0 3 288.391 2.252 20 10 CECDHN COC[C@@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000710667685 810002798 /nfs/dbraw/zinc/00/27/98/810002798.db2.gz IGGUZHYUNHPWFQ-CMPLNLGQSA-N 0 3 271.332 2.233 20 10 CECDHN C[C@H](CC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[NH2+]C1 ZINC001122258021 815397323 /nfs/dbraw/zinc/39/73/23/815397323.db2.gz HXLJJWYWAKQJIB-VXGBXAGGSA-N 0 3 294.370 2.173 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168982083 811309709 /nfs/dbraw/zinc/30/97/09/811309709.db2.gz IKVJRLGUQSKPPG-GRYCIOLGSA-N 0 3 264.325 2.488 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000389101797 813248027 /nfs/dbraw/zinc/24/80/27/813248027.db2.gz OOIPZRBSHJLKJB-STQMWFEESA-N 0 3 267.369 2.403 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](CO)C(C)C)c1[O-] ZINC000394028356 813334677 /nfs/dbraw/zinc/33/46/77/813334677.db2.gz DHAMBUIBEWJZKC-LLVKDONJSA-N 0 3 287.787 2.408 20 10 CECDHN COc1ccc(N2CCN(CCC3(O)CCC3)CC2)cc1 ZINC000396781897 813587589 /nfs/dbraw/zinc/58/75/89/813587589.db2.gz JNFRAWQBAAFPOB-UHFFFAOYSA-N 0 3 290.407 2.122 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000714244779 814890835 /nfs/dbraw/zinc/89/08/35/814890835.db2.gz RNRRUJKEFCFPKX-GVXVVHGQSA-N 0 3 283.393 2.009 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)C[C@H](C)N1C ZINC001137839246 815696020 /nfs/dbraw/zinc/69/60/20/815696020.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)C[C@H](C)N1C ZINC001137839246 815696022 /nfs/dbraw/zinc/69/60/22/815696022.db2.gz YAPPJBRNMWLBRF-PHIMTYICSA-N 0 3 252.333 2.056 20 10 CECDHN CN1CCCc2cc(CN3CCN(C4CC4)CC3)ccc21 ZINC001138354604 815774928 /nfs/dbraw/zinc/77/49/28/815774928.db2.gz PBDARJHVTQUOHD-UHFFFAOYSA-N 0 3 285.435 2.349 20 10 CECDHN CCN(Cc1cnn(CCOC)c1)Cc1ccccc1O ZINC001139781721 816112700 /nfs/dbraw/zinc/11/27/00/816112700.db2.gz HZRQBWJQBWRFML-UHFFFAOYSA-N 0 3 289.379 2.257 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001140057094 816179002 /nfs/dbraw/zinc/17/90/02/816179002.db2.gz BZBSPBJOHRZJJZ-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001140057094 816179006 /nfs/dbraw/zinc/17/90/06/816179006.db2.gz BZBSPBJOHRZJJZ-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H]2CO)c(Cl)c1 ZINC001140921453 816410729 /nfs/dbraw/zinc/41/07/29/816410729.db2.gz DLUYXNSAINBBOD-CYBMUJFWSA-N 0 3 268.788 2.363 20 10 CECDHN CC[N@H+](CCn1cccn1)Cc1ccc(C)cc1[O-] ZINC001140951005 816423598 /nfs/dbraw/zinc/42/35/98/816423598.db2.gz SQJUIGHAIJZMCJ-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN CC[N@@H+](CCn1cccn1)Cc1ccc(C)cc1[O-] ZINC001140951005 816423604 /nfs/dbraw/zinc/42/36/04/816423604.db2.gz SQJUIGHAIJZMCJ-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC(=O)N(C)C3)CC2)c([O-])c1 ZINC001140954065 816424053 /nfs/dbraw/zinc/42/40/53/816424053.db2.gz KOSMQRAQWWFIDH-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN COc1cc(O)c(CN(C)[C@H]2CCCOC2)c(OC)c1 ZINC001141032582 816453145 /nfs/dbraw/zinc/45/31/45/816453145.db2.gz HRYIIAAVWOPPOG-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCCOC2)c(OC)c1 ZINC001141032582 816453146 /nfs/dbraw/zinc/45/31/46/816453146.db2.gz HRYIIAAVWOPPOG-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCCOC2)c(OC)c1 ZINC001141032582 816453147 /nfs/dbraw/zinc/45/31/47/816453147.db2.gz HRYIIAAVWOPPOG-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])Cc1cc(O)ccc1O ZINC001141160746 816492133 /nfs/dbraw/zinc/49/21/33/816492133.db2.gz HJPDALRVTCNVDI-UHFFFAOYSA-N 0 3 259.305 2.435 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])Cc1cc(O)ccc1O ZINC001141160746 816492137 /nfs/dbraw/zinc/49/21/37/816492137.db2.gz HJPDALRVTCNVDI-UHFFFAOYSA-N 0 3 259.305 2.435 20 10 CECDHN Cc1nnc(C2CCN(Cc3cc(O)ccc3O)CC2)o1 ZINC001141161480 816492238 /nfs/dbraw/zinc/49/22/38/816492238.db2.gz RVRTWCPUIAGMDA-UHFFFAOYSA-N 0 3 289.335 2.169 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c([O-])c1 ZINC000036976447 361877169 /nfs/dbraw/zinc/87/71/69/361877169.db2.gz XMCIWYWKZKFTSP-DGCLKSJQSA-N 0 3 262.353 2.020 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738139 361925316 /nfs/dbraw/zinc/92/53/16/361925316.db2.gz FYEHUCFLVKLYDN-QWRGUYRKSA-N 0 3 251.326 2.088 20 10 CECDHN CC[C@H](C(=O)NCc1c(C)c2ccccc2n1C)N(C)C ZINC000352125909 529609940 /nfs/dbraw/zinc/60/99/40/529609940.db2.gz NSVCYCFOYDLQJF-CQSZACIVSA-N 0 3 287.407 2.443 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000092470984 344191282 /nfs/dbraw/zinc/19/12/82/344191282.db2.gz JSJZHYKPWLJJDL-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000092470984 344191283 /nfs/dbraw/zinc/19/12/83/344191283.db2.gz JSJZHYKPWLJJDL-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN COCC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000156034466 366826150 /nfs/dbraw/zinc/82/61/50/366826150.db2.gz BQNDNAGIUILCDI-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCC(CC)[C@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000111404457 364734760 /nfs/dbraw/zinc/73/47/60/364734760.db2.gz JRBBMWBUUHDRGP-CYBMUJFWSA-N 0 3 281.352 2.008 20 10 CECDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000179733787 368348218 /nfs/dbraw/zinc/34/82/18/368348218.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1[O-] ZINC000179733787 368348227 /nfs/dbraw/zinc/34/82/27/368348227.db2.gz MGMQVVOQXHZAIE-CQSZACIVSA-N 0 3 262.397 2.474 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000181234776 368435274 /nfs/dbraw/zinc/43/52/74/368435274.db2.gz RATOBHMDTIGVPI-ZJUUUORDSA-N 0 3 282.359 2.485 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](C)N1CCOCC1 ZINC000185376555 368800019 /nfs/dbraw/zinc/80/00/19/368800019.db2.gz YGBFPSJMJKAGQU-FRRDWIJNSA-N 0 3 296.386 2.291 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](C)N1CCOCC1 ZINC000297766284 299395823 /nfs/dbraw/zinc/39/58/23/299395823.db2.gz OZZGNGZRFFHAOB-KCQAQPDRSA-N 0 3 290.407 2.078 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](OC)C2)c1[O-] ZINC000188331283 369339859 /nfs/dbraw/zinc/33/98/59/369339859.db2.gz RIHWQKHFJLCQHP-FZMZJTMJSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](OC)C2)c1[O-] ZINC000188331283 369339863 /nfs/dbraw/zinc/33/98/63/369339863.db2.gz RIHWQKHFJLCQHP-FZMZJTMJSA-N 0 3 265.353 2.258 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1[O-] ZINC000189119754 369462315 /nfs/dbraw/zinc/46/23/15/369462315.db2.gz MCSIHBVNVZINBQ-WDEREUQCSA-N 0 3 253.342 2.304 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000191956900 369756522 /nfs/dbraw/zinc/75/65/22/369756522.db2.gz YFRUSJQNHSCXHP-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000191956900 369756528 /nfs/dbraw/zinc/75/65/28/369756528.db2.gz YFRUSJQNHSCXHP-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000268739542 372204661 /nfs/dbraw/zinc/20/46/61/372204661.db2.gz RETFCABGMJFRJS-QWHCGFSZSA-N 0 3 277.412 2.318 20 10 CECDHN CC[C@H](NCc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000270966528 373038514 /nfs/dbraw/zinc/03/85/14/373038514.db2.gz ILMXHBLJAMGBIY-WCQYABFASA-N 0 3 289.297 2.413 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000366449958 373052200 /nfs/dbraw/zinc/05/22/00/373052200.db2.gz FZAVJLWYZCDTCS-YOEHRIQHSA-N 0 3 291.391 2.471 20 10 CECDHN COC[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271158841 373151078 /nfs/dbraw/zinc/15/10/78/373151078.db2.gz DZNYRJVYXQAKJB-CYBMUJFWSA-N 0 3 266.360 2.360 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271450593 373193004 /nfs/dbraw/zinc/19/30/04/373193004.db2.gz RTBMTRUNWYIOEI-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000272388277 373458109 /nfs/dbraw/zinc/45/81/09/373458109.db2.gz IQEXAGJHIWXRSQ-MJHDQNEOSA-N 0 3 253.317 2.172 20 10 CECDHN COC[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])OC ZINC000272825616 373669894 /nfs/dbraw/zinc/66/98/94/373669894.db2.gz HBCGTMPOFVSXBT-LBPRGKRZSA-N 0 3 273.760 2.105 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273603129 373766229 /nfs/dbraw/zinc/76/62/29/373766229.db2.gz SJOAVRSLWDPHGQ-LBPRGKRZSA-N 0 3 276.380 2.397 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374998462 374638655 /nfs/dbraw/zinc/63/86/55/374638655.db2.gz NLLQCFMNIJXDMZ-QWHCGFSZSA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000374998462 374638659 /nfs/dbraw/zinc/63/86/59/374638659.db2.gz NLLQCFMNIJXDMZ-QWHCGFSZSA-N 0 3 277.364 2.259 20 10 CECDHN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000375299753 374651459 /nfs/dbraw/zinc/65/14/59/374651459.db2.gz MQOCKNOTUVPNGR-GOSISDBHSA-N 0 3 294.354 2.488 20 10 CECDHN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC000375299753 374651464 /nfs/dbraw/zinc/65/14/64/374651464.db2.gz MQOCKNOTUVPNGR-GOSISDBHSA-N 0 3 294.354 2.488 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281719270 375393871 /nfs/dbraw/zinc/39/38/71/375393871.db2.gz UMIBUXRSBGOTPD-WFASDCNBSA-N 0 3 293.407 2.319 20 10 CECDHN OC[C@@]1(NCc2ccccc2O)CCOc2ccccc21 ZINC000282285863 375448641 /nfs/dbraw/zinc/44/86/41/375448641.db2.gz IOMXYHMPOLNWMK-KRWDZBQOSA-N 0 3 285.343 2.152 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289335147 376391254 /nfs/dbraw/zinc/39/12/54/376391254.db2.gz HEGUTZXCQWKAGN-BJHJDKERSA-N 0 3 251.326 2.010 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289335147 376391262 /nfs/dbraw/zinc/39/12/62/376391262.db2.gz HEGUTZXCQWKAGN-BJHJDKERSA-N 0 3 251.326 2.010 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000293808709 377767758 /nfs/dbraw/zinc/76/77/58/377767758.db2.gz DYESNGWREZUUJP-LBPRGKRZSA-N 0 3 294.395 2.043 20 10 CECDHN CC(F)(F)CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294178764 377930557 /nfs/dbraw/zinc/93/05/57/377930557.db2.gz JZERIKAQVQYNTM-UHFFFAOYSA-N 0 3 259.252 2.256 20 10 CECDHN CCOc1cccc(C[NH2+]CCC(C)(C)CO)c1[O-] ZINC000294915874 378027643 /nfs/dbraw/zinc/02/76/43/378027643.db2.gz YJWSFZMUGXBIJJ-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000295193036 378047282 /nfs/dbraw/zinc/04/72/82/378047282.db2.gz XNUKLRZVPXFQSU-ZBFHGGJFSA-N 0 3 292.423 2.280 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](O)C(F)F ZINC000296493880 378551359 /nfs/dbraw/zinc/55/13/59/378551359.db2.gz OTRCHNQAGJIQCN-CWSCBRNRSA-N 0 3 271.307 2.374 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c([O-])c1 ZINC000036932532 260052661 /nfs/dbraw/zinc/05/26/61/260052661.db2.gz MCRDXJBHDAOPEN-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000227521983 394473574 /nfs/dbraw/zinc/47/35/74/394473574.db2.gz GXHUUAQQXUMHTH-CYBMUJFWSA-N 0 3 265.353 2.450 20 10 CECDHN COCC[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228590972 394475616 /nfs/dbraw/zinc/47/56/16/394475616.db2.gz SWPRAALMDYHZLH-UHFFFAOYSA-N 0 3 259.733 2.132 20 10 CECDHN COCC[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000228590972 394475619 /nfs/dbraw/zinc/47/56/19/394475619.db2.gz SWPRAALMDYHZLH-UHFFFAOYSA-N 0 3 259.733 2.132 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1[O-] ZINC000093813689 394668406 /nfs/dbraw/zinc/66/84/06/394668406.db2.gz VEIVACDPDXOABM-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c1[O-] ZINC000093813689 394668411 /nfs/dbraw/zinc/66/84/11/394668411.db2.gz VEIVACDPDXOABM-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000270749250 394739236 /nfs/dbraw/zinc/73/92/36/394739236.db2.gz XULNUHNTRYWCSQ-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000118381772 394760770 /nfs/dbraw/zinc/76/07/70/394760770.db2.gz RZMFINMSBWQIDD-NXEZZACHSA-N 0 3 281.377 2.447 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)CSC)c([O-])c1 ZINC000120679771 394782024 /nfs/dbraw/zinc/78/20/24/394782024.db2.gz FZKVCWCISSDJAE-OAHLLOKOSA-N 0 3 299.436 2.385 20 10 CECDHN CN(Cc1ccn(C)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121303840 394795370 /nfs/dbraw/zinc/79/53/70/394795370.db2.gz LAGKHYIYMUSTFJ-UHFFFAOYSA-N 0 3 299.418 2.494 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000124714557 394840379 /nfs/dbraw/zinc/84/03/79/394840379.db2.gz NHLWZALUFXYLRQ-LBPRGKRZSA-N 0 3 264.369 2.095 20 10 CECDHN CC[C@@H]([NH2+]CCCC(=O)NC)c1ccc(C)cc1[O-] ZINC000280113175 394845816 /nfs/dbraw/zinc/84/58/16/394845816.db2.gz NSTPNIWRPUTGRG-CYBMUJFWSA-N 0 3 264.369 2.268 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC000282395569 394918956 /nfs/dbraw/zinc/91/89/56/394918956.db2.gz RJHXGEFLWXVUKS-DGCLKSJQSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1[O-] ZINC000282395569 394918959 /nfs/dbraw/zinc/91/89/59/394918959.db2.gz RJHXGEFLWXVUKS-DGCLKSJQSA-N 0 3 265.353 2.400 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC000282573081 394920831 /nfs/dbraw/zinc/92/08/31/394920831.db2.gz ZTAWPSKWIPIREZ-AWEZNQCLSA-N 0 3 267.369 2.002 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC000282573081 394920835 /nfs/dbraw/zinc/92/08/35/394920835.db2.gz ZTAWPSKWIPIREZ-AWEZNQCLSA-N 0 3 267.369 2.002 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000132108406 394924735 /nfs/dbraw/zinc/92/47/35/394924735.db2.gz FPVNSADWQZDMAU-KRWDZBQOSA-N 0 3 269.344 2.316 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951711 395050143 /nfs/dbraw/zinc/05/01/43/395050143.db2.gz JXDOCOGCWSJSHU-WMLDXEAASA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951711 395050147 /nfs/dbraw/zinc/05/01/47/395050147.db2.gz JXDOCOGCWSJSHU-WMLDXEAASA-N 0 3 289.375 2.476 20 10 CECDHN Cc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1[O-] ZINC000158080385 395036706 /nfs/dbraw/zinc/03/67/06/395036706.db2.gz QDTJUSRBODRFCU-HNNXBMFYSA-N 0 3 279.380 2.376 20 10 CECDHN Oc1cccc(CN2CCN(Cc3ccccc3O)CC2)c1 ZINC000179567505 395195180 /nfs/dbraw/zinc/19/51/80/395195180.db2.gz SGNPNYKLDVSCNB-UHFFFAOYSA-N 0 3 298.386 2.416 20 10 CECDHN Oc1ccccc1CN(Cc1cnc[nH]1)C[C@@H]1CCCO1 ZINC000179570325 395196897 /nfs/dbraw/zinc/19/68/97/395196897.db2.gz WTVXHOAUWAKRDR-HNNXBMFYSA-N 0 3 287.363 2.297 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037166518 260072176 /nfs/dbraw/zinc/07/21/76/260072176.db2.gz WGIKYNYUSFNNHY-AWEZNQCLSA-N 0 3 280.412 2.467 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1 ZINC000077900122 260167365 /nfs/dbraw/zinc/16/73/65/260167365.db2.gz XFZQBDXEMIPOHM-HNNXBMFYSA-N 0 3 289.423 2.243 20 10 CECDHN CC[C@H]([NH2+]CC1(C)OCCO1)c1ccccc1[O-] ZINC000186306926 262087635 /nfs/dbraw/zinc/08/76/35/262087635.db2.gz FTMBTTZBPKGSIL-LBPRGKRZSA-N 0 3 251.326 2.196 20 10 CECDHN C[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000186857664 262113075 /nfs/dbraw/zinc/11/30/75/262113075.db2.gz YWCDXBYJGQBXJI-LBPRGKRZSA-N 0 3 285.409 2.258 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000148785231 263382308 /nfs/dbraw/zinc/38/23/08/263382308.db2.gz SPGYYTCWGBRCGG-NSHDSACASA-N 0 3 275.352 2.028 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCCC2(C)C)c1 ZINC000293696884 264971196 /nfs/dbraw/zinc/97/11/96/264971196.db2.gz REAJYKFENPSUEE-MRXNPFEDSA-N 0 3 279.380 2.432 20 10 CECDHN COc1ccc(N2CCC(NCCF)CC2)cc1 ZINC000368536043 267181838 /nfs/dbraw/zinc/18/18/38/267181838.db2.gz CQXGCUQMZYAWBR-UHFFFAOYSA-N 0 3 252.333 2.223 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000377113266 268048325 /nfs/dbraw/zinc/04/83/25/268048325.db2.gz NAKSGNJIXONTJX-YOEHRIQHSA-N 0 3 288.391 2.156 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288644687 273821510 /nfs/dbraw/zinc/82/15/10/273821510.db2.gz UQTXRLBTSWFMGR-SJLPKXTDSA-N 0 3 298.386 2.337 20 10 CECDHN COc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000527766945 313200706 /nfs/dbraw/zinc/20/07/06/313200706.db2.gz RKIBGKPQIXEXGH-ABAIWWIYSA-N 0 3 263.337 2.058 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000271842460 328197846 /nfs/dbraw/zinc/19/78/46/328197846.db2.gz RDZBTHDBFOTLBM-NWDGAFQWSA-N 0 3 265.353 2.306 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000294002320 327194660 /nfs/dbraw/zinc/19/46/60/327194660.db2.gz MHLSOKBPUJHNHG-NHYWBVRUSA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CCO2)CC1 ZINC000374326288 328992037 /nfs/dbraw/zinc/99/20/37/328992037.db2.gz DNRJVYJKTDYFAU-UHFFFAOYSA-N 0 3 251.301 2.286 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000180773503 329222933 /nfs/dbraw/zinc/22/29/33/329222933.db2.gz HSRSUXHMHMKIME-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c1[O-] ZINC000180773503 329222935 /nfs/dbraw/zinc/22/29/35/329222935.db2.gz HSRSUXHMHMKIME-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-] ZINC000190347168 329395284 /nfs/dbraw/zinc/39/52/84/329395284.db2.gz PBJAYHXDSMQAGF-UMVBOHGHSA-N 0 3 277.364 2.448 20 10 CECDHN CCCN(CC)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224900075 333227281 /nfs/dbraw/zinc/22/72/81/333227281.db2.gz UJCBEWNCBRTSAU-UHFFFAOYSA-N 0 3 266.385 2.222 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000224930023 333227461 /nfs/dbraw/zinc/22/74/61/333227461.db2.gz QOGSODXYHOWUFA-HIFRSBDPSA-N 0 3 263.337 2.058 20 10 CECDHN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584568 333265621 /nfs/dbraw/zinc/26/56/21/333265621.db2.gz WBXJWQVMYOROTK-CYBMUJFWSA-N 0 3 275.327 2.432 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@@H]1CCCCO1)OCO2 ZINC000227338507 333281079 /nfs/dbraw/zinc/28/10/79/333281079.db2.gz BDEZBPRDCZTRLN-LBPRGKRZSA-N 0 3 279.336 2.170 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)cc1OC ZINC000529670093 333505119 /nfs/dbraw/zinc/50/51/19/333505119.db2.gz QZIPGNKCCZAXDU-YPIXOSSWSA-N 0 3 295.379 2.311 20 10 CECDHN CC(C)C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C ZINC000042879585 519212331 /nfs/dbraw/zinc/21/23/31/519212331.db2.gz FQGFQURJMMAAGU-ZDUSSCGKSA-N 0 3 294.395 2.187 20 10 CECDHN CCOCc1cc(CNC[C@@H](O)CC)ccc1OC ZINC000291733754 520185514 /nfs/dbraw/zinc/18/55/14/520185514.db2.gz NZKAPWQYTJIISD-AWEZNQCLSA-N 0 3 267.369 2.092 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000292517100 520608575 /nfs/dbraw/zinc/60/85/75/520608575.db2.gz DOYBQCZWXPTHFV-CYBMUJFWSA-N 0 3 278.396 2.343 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000280599185 521150437 /nfs/dbraw/zinc/15/04/37/521150437.db2.gz JEFCUFNVABEGFT-FQEVSTJZSA-N 0 3 297.420 2.182 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294878793 521150951 /nfs/dbraw/zinc/15/09/51/521150951.db2.gz VIGBXVCXPKXGDN-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN CCC[C@]1(CO)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000290247282 521320774 /nfs/dbraw/zinc/32/07/74/521320774.db2.gz VITFQESPNZASBE-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@]1(CO)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000290247282 521320779 /nfs/dbraw/zinc/32/07/79/521320779.db2.gz VITFQESPNZASBE-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[NH2+]CCCCOC)c1[O-] ZINC000044655534 521362608 /nfs/dbraw/zinc/36/26/08/521362608.db2.gz SGMKRQMSTHCKTH-UHFFFAOYSA-N 0 3 253.342 2.307 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CCOC)c1[O-] ZINC000112018223 521369100 /nfs/dbraw/zinc/36/91/00/521369100.db2.gz IDAVTXABASAIRT-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN CCC[N@H+](CCC(=O)N(C)CC)Cc1ccccc1[O-] ZINC000130567258 521628499 /nfs/dbraw/zinc/62/84/99/521628499.db2.gz ACXPYYXRBGUYFR-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCC[N@@H+](CCC(=O)N(C)CC)Cc1ccccc1[O-] ZINC000130567258 521628505 /nfs/dbraw/zinc/62/85/05/521628505.db2.gz ACXPYYXRBGUYFR-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@@H](CO)COC)cc1 ZINC000279927610 521650695 /nfs/dbraw/zinc/65/06/95/521650695.db2.gz XWGCVQYOUNABEJ-INIZCTEOSA-N 0 3 294.439 2.410 20 10 CECDHN CC[C@H](C)[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801159 521941775 /nfs/dbraw/zinc/94/17/75/521941775.db2.gz XVDKCXHGPZFDRU-WFASDCNBSA-N 0 3 277.412 2.084 20 10 CECDHN CC[C@@H](C)NC(=O)CCNCc1ccc(OC)c(C)c1 ZINC000037997311 522153670 /nfs/dbraw/zinc/15/36/70/522153670.db2.gz RPWDULQMQHKLBK-CYBMUJFWSA-N 0 3 278.396 2.398 20 10 CECDHN COC[C@@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000279762528 522303460 /nfs/dbraw/zinc/30/34/60/522303460.db2.gz JGVQDUJHCXARNW-MRXNPFEDSA-N 0 3 287.359 2.156 20 10 CECDHN CC[C@H](N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000040855912 522323525 /nfs/dbraw/zinc/32/35/25/522323525.db2.gz LQTPVDCOTBIFSM-INIZCTEOSA-N 0 3 289.423 2.373 20 10 CECDHN CC[C@H]([NH2+]CCN(C)CCOC)c1ccc(C)cc1[O-] ZINC000280251822 522591625 /nfs/dbraw/zinc/59/16/25/522591625.db2.gz WREKQGVUEOOAST-HNNXBMFYSA-N 0 3 280.412 2.320 20 10 CECDHN CC[C@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C)cc1[O-] ZINC000280022411 522592921 /nfs/dbraw/zinc/59/29/21/522592921.db2.gz HOKUEAVPTNJLSQ-AWEZNQCLSA-N 0 3 276.380 2.268 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CCO)COC)c1ccc(C)cc1[O-] ZINC000280018449 522918584 /nfs/dbraw/zinc/91/85/84/522918584.db2.gz HECPOCHVENVTDQ-GXTWGEPZSA-N 0 3 267.369 2.139 20 10 CECDHN COC(=O)CC1([NH2+]Cc2cccc(OC)c2[O-])CCCC1 ZINC000279627335 522935591 /nfs/dbraw/zinc/93/55/91/522935591.db2.gz HNDMPKTYEZTHTJ-UHFFFAOYSA-N 0 3 293.363 2.366 20 10 CECDHN COCCC1(C[NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000151222582 523061266 /nfs/dbraw/zinc/06/12/66/523061266.db2.gz MFJJTNXJEIXEBS-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN COCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866950 523146476 /nfs/dbraw/zinc/14/64/76/523146476.db2.gz ZGCBJLWDAGEITQ-UHFFFAOYSA-N 0 3 296.386 2.383 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617748 523968357 /nfs/dbraw/zinc/96/83/57/523968357.db2.gz AAVGUNQUIHHKLH-WDEREUQCSA-N 0 3 282.359 2.487 20 10 CECDHN COCCOCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000044694214 524010472 /nfs/dbraw/zinc/01/04/72/524010472.db2.gz AFRSKFIYZANDOE-ZDUSSCGKSA-N 0 3 266.385 2.066 20 10 CECDHN C[N@H+]1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC000278538643 524017644 /nfs/dbraw/zinc/01/76/44/524017644.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 0 3 266.772 2.039 20 10 CECDHN C[N@@H+]1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC000278538643 524017647 /nfs/dbraw/zinc/01/76/47/524017647.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 0 3 266.772 2.039 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017649 /nfs/dbraw/zinc/01/76/49/524017649.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 0 3 266.772 2.039 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC000278538643 524017653 /nfs/dbraw/zinc/01/76/53/524017653.db2.gz CITNWIRBJXZNIE-PHIMTYICSA-N 0 3 266.772 2.039 20 10 CECDHN Cc1cccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279607285 524404583 /nfs/dbraw/zinc/40/45/83/524404583.db2.gz FFYMFZSTCKQPPT-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc(O)c(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291299485 524743959 /nfs/dbraw/zinc/74/39/59/524743959.db2.gz QMAHMIUNNAVVBK-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291299485 524743970 /nfs/dbraw/zinc/74/39/70/524743970.db2.gz QMAHMIUNNAVVBK-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291299485 524743980 /nfs/dbraw/zinc/74/39/80/524743980.db2.gz QMAHMIUNNAVVBK-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCCc2c[nH]nc2C)c1 ZINC000050182593 524750638 /nfs/dbraw/zinc/75/06/38/524750638.db2.gz NYMQANDOZQHQLO-UHFFFAOYSA-N 0 3 275.352 2.155 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000289573512 524750801 /nfs/dbraw/zinc/75/08/01/524750801.db2.gz SRWJXPDXMNWXAT-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289701031 524763276 /nfs/dbraw/zinc/76/32/76/524763276.db2.gz IPLAKRFRJVFLFU-SNVBAGLBSA-N 0 3 261.325 2.017 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000037155343 524765801 /nfs/dbraw/zinc/76/58/01/524765801.db2.gz PYSBDYJKCMVGAY-NWDGAFQWSA-N 0 3 275.352 2.337 20 10 CECDHN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(F)ccc1[O-] ZINC000278597578 525319200 /nfs/dbraw/zinc/31/92/00/525319200.db2.gz ZHRYRLQJRVWFPE-LBPRGKRZSA-N 0 3 294.370 2.047 20 10 CECDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280390747 525319132 /nfs/dbraw/zinc/31/91/32/525319132.db2.gz WWBAUHFHDZTODN-RHSMWYFYSA-N 0 3 291.391 2.389 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290364726 525339566 /nfs/dbraw/zinc/33/95/66/525339566.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290364726 525339568 /nfs/dbraw/zinc/33/95/68/525339568.db2.gz HBPSFSKQBPYTCX-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280357250 525345380 /nfs/dbraw/zinc/34/53/80/525345380.db2.gz UCGLWXMXWQMMNH-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCc2nccnc2C)c1 ZINC000292902815 525348613 /nfs/dbraw/zinc/34/86/13/525348613.db2.gz DUGQGQJHQODXDZ-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)C(C)C)c1 ZINC000290193931 525359876 /nfs/dbraw/zinc/35/98/76/525359876.db2.gz GCQONKXTMYKQEI-GFCCVEGCSA-N 0 3 285.409 2.174 20 10 CECDHN Cc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000228093745 525361719 /nfs/dbraw/zinc/36/17/19/525361719.db2.gz MCXGQESLBHNQGV-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000228093745 525361729 /nfs/dbraw/zinc/36/17/29/525361729.db2.gz MCXGQESLBHNQGV-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cc(F)ccc1[O-] ZINC000128324262 525638639 /nfs/dbraw/zinc/63/86/39/525638639.db2.gz IXGFHPQNMLKXCR-HJIKLVIJSA-N 0 3 253.317 2.341 20 10 CECDHN C[C@@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280069957 525804827 /nfs/dbraw/zinc/80/48/27/525804827.db2.gz XNUKIEZREFFCIE-SECBINFHSA-N 0 3 276.302 2.242 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000130587773 525918668 /nfs/dbraw/zinc/91/86/68/525918668.db2.gz FKULEOPDTJDUIW-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H]2CCSC2)c1[O-] ZINC000130587773 525918675 /nfs/dbraw/zinc/91/86/75/525918675.db2.gz FKULEOPDTJDUIW-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(C[NH2+]CCN2CCC(C)CC2)c1[O-] ZINC000040771358 526017146 /nfs/dbraw/zinc/01/71/46/526017146.db2.gz MQXMVXFUQCAINF-UHFFFAOYSA-N 0 3 278.396 2.222 20 10 CECDHN Cc1cn[nH]c1CNCc1ccc(N(C)C)c(F)c1 ZINC000289968635 526031657 /nfs/dbraw/zinc/03/16/57/526031657.db2.gz RBDOYXXHUZVYRY-UHFFFAOYSA-N 0 3 262.332 2.213 20 10 CECDHN Cn1nccc1CNCc1ccc2c(c1)CCCN2C ZINC000071138886 527610340 /nfs/dbraw/zinc/61/03/40/527610340.db2.gz FHJMUQRLIWEZNH-UHFFFAOYSA-N 0 3 270.380 2.092 20 10 CECDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)CCCC1 ZINC000732271211 574616837 /nfs/dbraw/zinc/61/68/37/574616837.db2.gz RDCLHYVXMGHDLI-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732821218 574632221 /nfs/dbraw/zinc/63/22/21/574632221.db2.gz YCNVXPOWOMAIEL-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732820586 574632274 /nfs/dbraw/zinc/63/22/74/574632274.db2.gz LVPQROYIDYPNMT-IAQYHMDHSA-N 0 3 267.369 2.288 20 10 CECDHN COc1ccc(O)c(CNCc2cnn3ccccc23)c1 ZINC000734003532 574696787 /nfs/dbraw/zinc/69/67/87/574696787.db2.gz NGADUWPPNJPGHF-UHFFFAOYSA-N 0 3 283.331 2.338 20 10 CECDHN C[C@@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743510945 575105601 /nfs/dbraw/zinc/10/56/01/575105601.db2.gz BFYVODTZIYWFHS-GFCCVEGCSA-N 0 3 293.367 2.056 20 10 CECDHN O=[N+]([O-])c1cc(CNCCCO)ccc1N1CCCCC1 ZINC000743503766 575105643 /nfs/dbraw/zinc/10/56/43/575105643.db2.gz SYZIFRUMMXTOKS-UHFFFAOYSA-N 0 3 293.367 2.057 20 10 CECDHN CC(=O)NC1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000753592643 575331382 /nfs/dbraw/zinc/33/13/82/575331382.db2.gz YNRHOFOCFONLSP-UHFFFAOYSA-N 0 3 294.370 2.410 20 10 CECDHN CC(=O)NC1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000753592643 575331384 /nfs/dbraw/zinc/33/13/84/575331384.db2.gz YNRHOFOCFONLSP-UHFFFAOYSA-N 0 3 294.370 2.410 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2[O-] ZINC000806664424 622968723 /nfs/dbraw/zinc/96/87/23/622968723.db2.gz PZZWUMKNMZRMRQ-CMPLNLGQSA-N 0 3 297.370 2.457 20 10 CECDHN C[C@@H]1C[C@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247409 623321858 /nfs/dbraw/zinc/32/18/58/623321858.db2.gz HBCSCXWJNPQPPY-DAXOMENPSA-N 0 3 289.423 2.128 20 10 CECDHN COc1ccc(CN2CCCO[C@@H](C)C2)c(O)c1OC ZINC000891918715 624097444 /nfs/dbraw/zinc/09/74/44/624097444.db2.gz YLJWAKIATDMPMZ-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1OC ZINC000892217602 624427423 /nfs/dbraw/zinc/42/74/23/624427423.db2.gz ZEHPWSPRJDTERJ-YPMHNXCESA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1OC ZINC000892217602 624427426 /nfs/dbraw/zinc/42/74/26/624427426.db2.gz ZEHPWSPRJDTERJ-YPMHNXCESA-N 0 3 295.379 2.002 20 10 CECDHN CC[C@H]([NH2+]CCN(C)OC)c1ccc(C)cc1[O-] ZINC000850478286 627282448 /nfs/dbraw/zinc/28/24/48/627282448.db2.gz RHRNXTUMMKVOMW-ZDUSSCGKSA-N 0 3 252.358 2.235 20 10 CECDHN CNC(=O)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000795606834 629630139 /nfs/dbraw/zinc/63/01/39/629630139.db2.gz TUAWPQQWXKANKQ-OAHLLOKOSA-N 0 3 284.359 2.359 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@]3(CCCOC3)C2)c1 ZINC000795640024 629639377 /nfs/dbraw/zinc/63/93/77/629639377.db2.gz UMCXPQCCQJOJHE-QGZVFWFLSA-N 0 3 291.391 2.390 20 10 CECDHN C[C@@H](NCc1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000796451234 629908440 /nfs/dbraw/zinc/90/84/40/629908440.db2.gz UPQSJCPOEAZJML-CYBMUJFWSA-N 0 3 286.379 2.097 20 10 CECDHN C[C@@H](NCc1cnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000796451234 629908443 /nfs/dbraw/zinc/90/84/43/629908443.db2.gz UPQSJCPOEAZJML-CYBMUJFWSA-N 0 3 286.379 2.097 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)COCCO2 ZINC000895697341 630309498 /nfs/dbraw/zinc/30/94/98/630309498.db2.gz OJOXZOUIZFXTID-UHFFFAOYSA-N 0 3 277.364 2.082 20 10 CECDHN COc1cccc(CN2CC[C@H](OC(F)F)C2)c1O ZINC000802658646 631441706 /nfs/dbraw/zinc/44/17/06/631441706.db2.gz LGFYLRKTSYOFOW-JTQLQIEISA-N 0 3 273.279 2.214 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(F)ccc1[O-] ZINC000806178044 631724655 /nfs/dbraw/zinc/72/46/55/631724655.db2.gz BNSCQXCMMVPUSO-YPMHNXCESA-N 0 3 290.338 2.353 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCS(C)(=O)=O)c1[O-] ZINC000808683847 631998676 /nfs/dbraw/zinc/99/86/76/631998676.db2.gz KIVAYRQNJWQWBU-VIFPVBQESA-N 0 3 291.800 2.049 20 10 CECDHN Oc1ccccc1CNCc1cnc(C2OCCO2)s1 ZINC000809612100 632110474 /nfs/dbraw/zinc/11/04/74/632110474.db2.gz FILMCGXFHSENEO-UHFFFAOYSA-N 0 3 292.360 2.184 20 10 CECDHN COc1ccc(CNCc2cnc([C@H](C)O)s2)c(O)c1 ZINC000809658469 632123385 /nfs/dbraw/zinc/12/33/85/632123385.db2.gz OESQNYCQYVIRKU-VIFPVBQESA-N 0 3 294.376 2.200 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(CN[C@H]2CCC[NH2+]CC2)c1[O-] ZINC000841056758 632359046 /nfs/dbraw/zinc/35/90/46/632359046.db2.gz DBVJOVDXBXIJNY-NSHDSACASA-N 0 3 299.758 2.186 20 10 CECDHN O=C(C[NH2+]Cc1cc(F)ccc1[O-])Nc1cccc(F)c1 ZINC000813331806 632671034 /nfs/dbraw/zinc/67/10/34/632671034.db2.gz VMACDVOLVVWGPL-UHFFFAOYSA-N 0 3 292.285 2.399 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000814300706 632821555 /nfs/dbraw/zinc/82/15/55/632821555.db2.gz LTVIWXUPCGYMJJ-LBPRGKRZSA-N 0 3 264.369 2.034 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)C(C)(C)O)c([O-])c1 ZINC000815154477 632973456 /nfs/dbraw/zinc/97/34/56/632973456.db2.gz CXPQKHWKZFRHES-CQSZACIVSA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1ccc(C[NH+]2CC(CCOC)C2)c([O-])c1 ZINC000826899685 635875778 /nfs/dbraw/zinc/87/57/78/635875778.db2.gz TVDUIJFKTJROFS-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCC(N)(CC)C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817960930 633803368 /nfs/dbraw/zinc/80/33/68/633803368.db2.gz UPNMRDLHAVKRBC-LLVKDONJSA-N 0 3 294.395 2.347 20 10 CECDHN C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964531 633805731 /nfs/dbraw/zinc/80/57/31/633805731.db2.gz BZXGQFBYDDZJLN-JVXZTZIISA-N 0 3 256.296 2.058 20 10 CECDHN C[C@H](NC[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964531 633805734 /nfs/dbraw/zinc/80/57/34/633805734.db2.gz BZXGQFBYDDZJLN-JVXZTZIISA-N 0 3 256.296 2.058 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1[O-] ZINC000817975810 633818790 /nfs/dbraw/zinc/81/87/90/633818790.db2.gz CHJQIYDWUOIKKX-GMXVVIOVSA-N 0 3 252.333 2.133 20 10 CECDHN C[C@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2[O-] ZINC000817977066 633819672 /nfs/dbraw/zinc/81/96/72/633819672.db2.gz ZXVCZBRIISPTSD-GMOBBJLQSA-N 0 3 282.334 2.369 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000903343188 635070954 /nfs/dbraw/zinc/07/09/54/635070954.db2.gz NJCZFRCMHLGPMO-TZMCWYRMSA-N 0 3 296.386 2.293 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000824564302 635453041 /nfs/dbraw/zinc/45/30/41/635453041.db2.gz IKGCEUZATPBFRM-GOEBONIOSA-N 0 3 292.423 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c([O-])c1 ZINC000824635308 635466882 /nfs/dbraw/zinc/46/68/82/635466882.db2.gz GPYFTJCSQSHIQL-WCQYABFASA-N 0 3 289.322 2.285 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](SC)C1 ZINC000824683575 635477972 /nfs/dbraw/zinc/47/79/72/635477972.db2.gz QIIHLBVHQKEYQM-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](SC)C1 ZINC000824683575 635477976 /nfs/dbraw/zinc/47/79/76/635477976.db2.gz QIIHLBVHQKEYQM-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000824815068 635503673 /nfs/dbraw/zinc/50/36/73/635503673.db2.gz IBWSUQSSDGKHEI-RISCZKNCSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000824815068 635503677 /nfs/dbraw/zinc/50/36/77/635503677.db2.gz IBWSUQSSDGKHEI-RISCZKNCSA-N 0 3 265.353 2.258 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130374 635576318 /nfs/dbraw/zinc/57/63/18/635576318.db2.gz WZTCQOIJUHSAMZ-FZMZJTMJSA-N 0 3 299.798 2.326 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCO[C@H]2C)c1[O-] ZINC000825130374 635576322 /nfs/dbraw/zinc/57/63/22/635576322.db2.gz WZTCQOIJUHSAMZ-FZMZJTMJSA-N 0 3 299.798 2.326 20 10 CECDHN Nc1ccc(CCNCc2nccn2C2CC2)cc1 ZINC000904354459 635586755 /nfs/dbraw/zinc/58/67/55/635586755.db2.gz ZBIGKRSCXMHOFU-UHFFFAOYSA-N 0 3 256.353 2.133 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000825284628 635606403 /nfs/dbraw/zinc/60/64/03/635606403.db2.gz TWCRNMDJPDCGRK-LOWVWBTDSA-N 0 3 262.353 2.087 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000827938774 636463802 /nfs/dbraw/zinc/46/38/02/636463802.db2.gz RZVUTUWMVIPMLP-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000827938774 636463806 /nfs/dbraw/zinc/46/38/06/636463806.db2.gz RZVUTUWMVIPMLP-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN Cc1cccc(O)c1CN1CCN(Cc2ccccn2)CC1 ZINC000876553804 650322817 /nfs/dbraw/zinc/32/28/17/650322817.db2.gz YSOXLPBZPGSMDI-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCOC[C@@H]1CCOC1)CC2 ZINC000834598990 637886486 /nfs/dbraw/zinc/88/64/86/637886486.db2.gz URDUCYUQKGKFAV-DZGCQCFKSA-N 0 3 291.391 2.412 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620985 637893344 /nfs/dbraw/zinc/89/33/44/637893344.db2.gz ZTXMVVSAOPZDTH-QWHCGFSZSA-N 0 3 269.348 2.250 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)CC2 ZINC000834624027 637894141 /nfs/dbraw/zinc/89/41/41/637894141.db2.gz DWWBYTNRJDTDNB-SWLSCSKDSA-N 0 3 287.359 2.413 20 10 CECDHN CN(C)c1ccc(/C=C/CNCc2cncn2C)cc1 ZINC000835052622 638039964 /nfs/dbraw/zinc/03/99/64/638039964.db2.gz HVCZCRLMMGSHMX-SNAWJCMRSA-N 0 3 270.380 2.289 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000835088553 638057791 /nfs/dbraw/zinc/05/77/91/638057791.db2.gz SLMILJBYLGOENU-WDEREUQCSA-N 0 3 251.326 2.058 20 10 CECDHN COCCOC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876724880 650410337 /nfs/dbraw/zinc/41/03/37/650410337.db2.gz BFTNFFXVKVEIEV-UHFFFAOYSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](N)CCC(C)C ZINC000876767475 650425643 /nfs/dbraw/zinc/42/56/43/650425643.db2.gz KGRYSJVJHZBWMR-INIZCTEOSA-N 0 3 291.439 2.441 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876917876 650486022 /nfs/dbraw/zinc/48/60/22/650486022.db2.gz GVEOROMKVYWIPA-UHFFFAOYSA-N 0 3 292.379 2.411 20 10 CECDHN CN1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000044534555 639323232 /nfs/dbraw/zinc/32/32/32/639323232.db2.gz PMEPOXUALPKRMS-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000156368077 639346771 /nfs/dbraw/zinc/34/67/71/639346771.db2.gz YOOBBVQPEKGPGU-HOCLYGCPSA-N 0 3 279.380 2.222 20 10 CECDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936270 639591379 /nfs/dbraw/zinc/59/13/79/639591379.db2.gz HYNJZFZFWNNGGL-KGLIPLIRSA-N 0 3 291.439 2.454 20 10 CECDHN CC(C)NC(=O)[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000840974264 639605997 /nfs/dbraw/zinc/60/59/97/639605997.db2.gz DAMJFILECDFOGU-PSKZRQQASA-N 0 3 289.423 2.269 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000840977602 639607920 /nfs/dbraw/zinc/60/79/20/639607920.db2.gz ITGMYBZXFRAUDA-VXGBXAGGSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CNCCC1(F)F ZINC000841080987 639649746 /nfs/dbraw/zinc/64/97/46/639649746.db2.gz RPNJERXFSOHMAM-CQSZACIVSA-N 0 3 283.366 2.148 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C(OC)OC)c1[O-] ZINC000229052160 639674226 /nfs/dbraw/zinc/67/42/26/639674226.db2.gz PKJPNNBISPFFHP-QMMMGPOBSA-N 0 3 289.759 2.151 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccccc1[O-] ZINC000841765337 639861554 /nfs/dbraw/zinc/86/15/54/639861554.db2.gz PPCSOUJHDPBDCQ-QWRGUYRKSA-N 0 3 270.323 2.382 20 10 CECDHN Cc1ccc(C[NH2+]CCCOC[C@H]2CCOC2)c([O-])c1 ZINC000877060480 650554564 /nfs/dbraw/zinc/55/45/64/650554564.db2.gz YOBXUJCCBQCTRZ-CQSZACIVSA-N 0 3 279.380 2.233 20 10 CECDHN C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000843045893 640251171 /nfs/dbraw/zinc/25/11/71/640251171.db2.gz LMRPJZBWUYTYPX-ZWNOBZJWSA-N 0 3 252.333 2.233 20 10 CECDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1cc(Cl)ccc1[O-] ZINC000843122932 640290500 /nfs/dbraw/zinc/29/05/00/640290500.db2.gz XHQLQVDZIMNFIL-RYUDHWBXSA-N 0 3 272.751 2.177 20 10 CECDHN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1[NH3+] ZINC000843376554 640410580 /nfs/dbraw/zinc/41/05/80/640410580.db2.gz AXEXLBAIKFXIGQ-IAQYHMDHSA-N 0 3 294.370 2.293 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN(C)C2CC([NH3+])C2)c1[O-] ZINC000843387532 640413824 /nfs/dbraw/zinc/41/38/24/640413824.db2.gz LLLQUUGZQQBJKE-UHFFFAOYSA-N 0 3 282.771 2.170 20 10 CECDHN CC[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846108712 641184000 /nfs/dbraw/zinc/18/40/00/641184000.db2.gz QTYGKMRMFNQUKM-GOEBONIOSA-N 0 3 279.380 2.365 20 10 CECDHN CCn1cc(CN[C@@H](C)c2cccc(OC)c2O)cn1 ZINC000846152220 641204820 /nfs/dbraw/zinc/20/48/20/641204820.db2.gz QMRUDENGCGUSAI-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846204641 641221051 /nfs/dbraw/zinc/22/10/51/641221051.db2.gz AGNYHRXPPZXHBT-OLZOCXBDSA-N 0 3 288.391 2.362 20 10 CECDHN CCCN(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846475769 641312137 /nfs/dbraw/zinc/31/21/37/641312137.db2.gz IVPREAQIIXLHNZ-UHFFFAOYSA-N 0 3 270.760 2.004 20 10 CECDHN Cc1cccc(CN2CCN(CCOC(C)C)CC2)c1O ZINC000180375160 641452191 /nfs/dbraw/zinc/45/21/91/641452191.db2.gz ABAWFANXFDGVQC-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccco1 ZINC000180823048 641486508 /nfs/dbraw/zinc/48/65/08/641486508.db2.gz ZZEGWMRDDXKXJN-CQSZACIVSA-N 0 3 265.284 2.122 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000769532504 642136122 /nfs/dbraw/zinc/13/61/22/642136122.db2.gz KFHUVPPNHUGXPS-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000769532504 642136126 /nfs/dbraw/zinc/13/61/26/642136126.db2.gz KFHUVPPNHUGXPS-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@@]2(CCCOC2)C1 ZINC000877513481 650758322 /nfs/dbraw/zinc/75/83/22/650758322.db2.gz WWTYILWGFDPWHK-INIZCTEOSA-N 0 3 277.364 2.082 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000850343906 642674727 /nfs/dbraw/zinc/67/47/27/642674727.db2.gz TWPDKIZFDVQZSG-LBPRGKRZSA-N 0 3 278.396 2.363 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccccc2[O-])C1 ZINC000850353966 642678688 /nfs/dbraw/zinc/67/86/88/642678688.db2.gz RCBHOTJBRHTHET-BPLDGKMQSA-N 0 3 279.380 2.048 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccccc2[O-])C1 ZINC000850353967 642679123 /nfs/dbraw/zinc/67/91/23/642679123.db2.gz RCBHOTJBRHTHET-CFVMTHIKSA-N 0 3 279.380 2.048 20 10 CECDHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@@]1(O)CCCOC1 ZINC000850401036 642701165 /nfs/dbraw/zinc/70/11/65/642701165.db2.gz TWMHBKUNFGKOHM-MRXNPFEDSA-N 0 3 279.380 2.050 20 10 CECDHN CN(C)c1ccc(/C=C/CNCC2OCCCO2)cc1 ZINC000922277414 642996790 /nfs/dbraw/zinc/99/67/90/642996790.db2.gz AXZFNOFPVSQOHO-HWKANZROSA-N 0 3 276.380 2.118 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@]2(OC)CCSC2)c([O-])c1 ZINC000922572678 643131435 /nfs/dbraw/zinc/13/14/35/643131435.db2.gz ZGSOQSDCTGMVKT-HNNXBMFYSA-N 0 3 297.420 2.403 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000922612213 643162233 /nfs/dbraw/zinc/16/22/33/643162233.db2.gz ZAGHLASQUIXHHR-INIZCTEOSA-N 0 3 295.379 2.075 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000877621149 650817965 /nfs/dbraw/zinc/81/79/65/650817965.db2.gz QFXYKQKFACXMHS-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN CCOc1cccc(CNCc2cncc(O)c2)c1O ZINC000922976771 643492278 /nfs/dbraw/zinc/49/22/78/643492278.db2.gz GBJASWXEUKQPCV-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)c([O-])c1 ZINC000877681030 650846658 /nfs/dbraw/zinc/84/66/58/650846658.db2.gz COSAGMUZOMSIGN-RDUHTLEXSA-N 0 3 259.349 2.214 20 10 CECDHN CCOc1ccc(O)c(CNCc2ccnn2CC)c1 ZINC000853093584 643649884 /nfs/dbraw/zinc/64/98/84/643649884.db2.gz ONTQVDKZPRQBFT-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)CC2CC2)c([O-])c1 ZINC000754833855 644437996 /nfs/dbraw/zinc/43/79/96/644437996.db2.gz LYTIUGOKDKTNHX-CYBMUJFWSA-N 0 3 265.353 2.042 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756355142 644634084 /nfs/dbraw/zinc/63/40/84/644634084.db2.gz JMQLDYWDMHFPPD-YWVKMMECSA-N 0 3 280.343 2.194 20 10 CECDHN C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756491099 644654397 /nfs/dbraw/zinc/65/43/97/644654397.db2.gz XVVWQTLKXVDOOH-UMNHJUIQSA-N 0 3 290.342 2.349 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCNc2cnccn2)c([O-])c1 ZINC000756647959 644677650 /nfs/dbraw/zinc/67/76/50/644677650.db2.gz XPNKGKSHYSFMFY-GFCCVEGCSA-N 0 3 272.352 2.253 20 10 CECDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1CO ZINC000857061202 644806498 /nfs/dbraw/zinc/80/64/98/644806498.db2.gz LXPZOBDMRFAHNT-GXTWGEPZSA-N 0 3 280.387 2.342 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2Cc3ccccc3NC2=O)cc1 ZINC000858281579 645106575 /nfs/dbraw/zinc/10/65/75/645106575.db2.gz UXQVNIFIIYBBAN-QGZVFWFLSA-N 0 3 295.386 2.406 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000858295514 645109405 /nfs/dbraw/zinc/10/94/05/645109405.db2.gz DYHNYQFTKFQIAB-NHYWBVRUSA-N 0 3 263.337 2.058 20 10 CECDHN CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000858580194 645208864 /nfs/dbraw/zinc/20/88/64/645208864.db2.gz XNBBJGTUWVJCSB-WCABBAIRSA-N 0 3 296.342 2.078 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1[O-] ZINC000858602647 645218227 /nfs/dbraw/zinc/21/82/27/645218227.db2.gz FSCBPVWCGMJUID-HZMBPMFUSA-N 0 3 292.354 2.335 20 10 CECDHN NC(=O)[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768139245 646089232 /nfs/dbraw/zinc/08/92/32/646089232.db2.gz YGQBYJSRNNOMDD-HNNXBMFYSA-N 0 3 296.370 2.366 20 10 CECDHN NC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768139245 646089238 /nfs/dbraw/zinc/08/92/38/646089238.db2.gz YGQBYJSRNNOMDD-HNNXBMFYSA-N 0 3 296.370 2.366 20 10 CECDHN C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])cs3)CC[C@@H]21 ZINC000768265635 646102339 /nfs/dbraw/zinc/10/23/39/646102339.db2.gz VKWYNLKSQNWGLC-PWSUYJOCSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CCC[C@@H]2CN(C(=O)c3cc([O-])cs3)CC[C@@H]21 ZINC000768265635 646102344 /nfs/dbraw/zinc/10/23/44/646102344.db2.gz VKWYNLKSQNWGLC-PWSUYJOCSA-N 0 3 280.393 2.010 20 10 CECDHN CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768437836 646122753 /nfs/dbraw/zinc/12/27/53/646122753.db2.gz KFQFIQULKVHQDS-AWEZNQCLSA-N 0 3 263.337 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)[C@H](O)CO2 ZINC000768452753 646125114 /nfs/dbraw/zinc/12/51/14/646125114.db2.gz SJDYXEHMSAXQGJ-UKRRQHHQSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)[C@H](O)CO2 ZINC000768452753 646125118 /nfs/dbraw/zinc/12/51/18/646125118.db2.gz SJDYXEHMSAXQGJ-UKRRQHHQSA-N 0 3 275.348 2.192 20 10 CECDHN C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463753 646126550 /nfs/dbraw/zinc/12/65/50/646126550.db2.gz WPEPGTJBPQKSGY-CQSZACIVSA-N 0 3 295.379 2.065 20 10 CECDHN C[N@@H+](CCOC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768463753 646126553 /nfs/dbraw/zinc/12/65/53/646126553.db2.gz WPEPGTJBPQKSGY-CQSZACIVSA-N 0 3 295.379 2.065 20 10 CECDHN CC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464198 646126975 /nfs/dbraw/zinc/12/69/75/646126975.db2.gz ODTCSGVSHMRFQT-YGRLFVJLSA-N 0 3 263.337 2.050 20 10 CECDHN CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464198 646126979 /nfs/dbraw/zinc/12/69/79/646126979.db2.gz ODTCSGVSHMRFQT-YGRLFVJLSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCOC[C@H]1C ZINC000769455399 646270167 /nfs/dbraw/zinc/27/01/67/646270167.db2.gz AKWSCMDJBZWGJN-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCOC[C@H]1C ZINC000769455399 646270169 /nfs/dbraw/zinc/27/01/69/646270169.db2.gz AKWSCMDJBZWGJN-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000775131917 646925907 /nfs/dbraw/zinc/92/59/07/646925907.db2.gz ZBZFPGAZWMYBNI-GFCCVEGCSA-N 0 3 297.420 2.258 20 10 CECDHN Cc1cc(Cl)cc(C[NH+]2CCC(OCCO)CC2)c1[O-] ZINC000775733633 646985247 /nfs/dbraw/zinc/98/52/47/646985247.db2.gz WLXMJAAHWRJWJV-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779106260 647289074 /nfs/dbraw/zinc/28/90/74/647289074.db2.gz BACBXJKHLVUVNG-YGRLFVJLSA-N 0 3 253.317 2.436 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([O-])c1 ZINC000865691400 647425707 /nfs/dbraw/zinc/42/57/07/647425707.db2.gz ANMKPPXYOCGHJK-SAYFZHNOSA-N 0 3 289.375 2.304 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000865710502 647433403 /nfs/dbraw/zinc/43/34/03/647433403.db2.gz AWBCGMCXYNTHCV-UFBFGSQYSA-N 0 3 293.285 2.192 20 10 CECDHN CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780944332 647483418 /nfs/dbraw/zinc/48/34/18/647483418.db2.gz LZRXTXTZZBDZPA-GFCCVEGCSA-N 0 3 292.379 2.010 20 10 CECDHN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1[O-] ZINC000866446159 647790019 /nfs/dbraw/zinc/79/00/19/647790019.db2.gz UBVBFUWIYLYNTG-AKXRQVIESA-N 0 3 259.349 2.466 20 10 CECDHN CCOC(CC[NH2+]Cc1c([O-])cccc1OC)OCC ZINC000786831632 648049243 /nfs/dbraw/zinc/04/92/43/648049243.db2.gz MVAPNPNOJFASHI-UHFFFAOYSA-N 0 3 283.368 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(CC)CCOC2)c([O-])c1 ZINC000791004566 648471841 /nfs/dbraw/zinc/47/18/41/648471841.db2.gz MUYNVOGJHCDBCB-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000794657543 648899816 /nfs/dbraw/zinc/89/98/16/648899816.db2.gz BGXPSEDQKSTCAO-PBHICJAKSA-N 0 3 291.391 2.389 20 10 CECDHN CCCOc1ccc(CNCCCS(C)(=O)=O)cc1C ZINC000873042186 649540552 /nfs/dbraw/zinc/54/05/52/649540552.db2.gz NBZNCKKZIAFFOX-UHFFFAOYSA-N 0 3 299.436 2.308 20 10 CECDHN [NH3+][C@@H]1CCCCCN(Cc2cccc(F)c2[O-])C1 ZINC000873214198 649592264 /nfs/dbraw/zinc/59/22/64/649592264.db2.gz AWPALXCKTRBPJM-GFCCVEGCSA-N 0 3 252.333 2.235 20 10 CECDHN CC(C)S(=O)(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651248 651335646 /nfs/dbraw/zinc/33/56/46/651335646.db2.gz ONYHWCMSFFYMOF-LBPRGKRZSA-N 0 3 285.409 2.256 20 10 CECDHN C[C@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000879650172 651335869 /nfs/dbraw/zinc/33/58/69/651335869.db2.gz NCICXCDKOFQFGR-MCIONIFRSA-N 0 3 278.396 2.152 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000879653936 651336268 /nfs/dbraw/zinc/33/62/68/651336268.db2.gz YMUBGQLQYIXVEP-OLZOCXBDSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@@H](NCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000135108388 652929379 /nfs/dbraw/zinc/92/93/79/652929379.db2.gz DKYYCXQCQRQQOY-CQSZACIVSA-N 0 3 289.423 2.416 20 10 CECDHN CCN(CC)c1ccc(CNC[C@H](C)S(C)(=O)=O)cc1 ZINC000697589995 806599066 /nfs/dbraw/zinc/59/90/66/806599066.db2.gz RFCAAFJMUOOOSU-ZDUSSCGKSA-N 0 3 298.452 2.056 20 10 CECDHN CC1([NH3+])CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000704598008 809739459 /nfs/dbraw/zinc/73/94/59/809739459.db2.gz VWCUVSVVKBYKDB-UHFFFAOYSA-N 0 3 299.212 2.468 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)[NH2+]1 ZINC000706855309 802843218 /nfs/dbraw/zinc/84/32/18/802843218.db2.gz BXSWPHKTPCJKIY-AOOOYVTPSA-N 0 3 299.212 2.337 20 10 CECDHN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000693857575 803366591 /nfs/dbraw/zinc/36/65/91/803366591.db2.gz VAJGGZVPDLPCLX-ZDUSSCGKSA-N 0 3 266.360 2.494 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031857 803670021 /nfs/dbraw/zinc/67/00/21/803670021.db2.gz MVMXCGOICCCRFQ-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031857 803670024 /nfs/dbraw/zinc/67/00/24/803670024.db2.gz MVMXCGOICCCRFQ-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1=O ZINC000722361527 804382175 /nfs/dbraw/zinc/38/21/75/804382175.db2.gz MUQVIBMPDBLDLI-JSGCOSHPSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1n[nH]c(CNCc2ccc(N(C)C)cc2)c1C ZINC000716494085 815132881 /nfs/dbraw/zinc/13/28/81/815132881.db2.gz QMTNUQQOEMEFBM-UHFFFAOYSA-N 0 3 258.369 2.382 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237492406 808221443 /nfs/dbraw/zinc/22/14/43/808221443.db2.gz OMPCQMKXSKPMSI-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237492406 808221449 /nfs/dbraw/zinc/22/14/49/808221449.db2.gz OMPCQMKXSKPMSI-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN Cc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1 ZINC001203555629 808696589 /nfs/dbraw/zinc/69/65/89/808696589.db2.gz AWUFHGDCCUBJBI-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CN1CCCC1 ZINC000700779727 809347914 /nfs/dbraw/zinc/34/79/14/809347914.db2.gz CEBURRCIPWBNDR-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN C[C@H](CNCc1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000700779727 809347920 /nfs/dbraw/zinc/34/79/20/809347920.db2.gz CEBURRCIPWBNDR-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1[O-] ZINC001172158006 815323965 /nfs/dbraw/zinc/32/39/65/815323965.db2.gz BIDDXRQBMDGASI-UPJWGTAASA-N 0 3 274.364 2.196 20 10 CECDHN COC[C@@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000710600976 810001654 /nfs/dbraw/zinc/00/16/54/810001654.db2.gz GJDQVOMEHJCDQS-OLZOCXBDSA-N 0 3 265.353 2.021 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCn2cncn2)c([O-])c1 ZINC000381677123 810658271 /nfs/dbraw/zinc/65/82/71/810658271.db2.gz IVUCKRVKTQPJHE-GFCCVEGCSA-N 0 3 260.341 2.033 20 10 CECDHN CCCN1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001122536359 815422862 /nfs/dbraw/zinc/42/28/62/815422862.db2.gz ZPKJSZCWGCFJFE-HNNXBMFYSA-N 0 3 275.396 2.150 20 10 CECDHN COc1ccc(N2CCN([C@@H]3CCSC3)CC2)cc1 ZINC001255280271 813039866 /nfs/dbraw/zinc/03/98/66/813039866.db2.gz WQWLJVPWXDALQS-CQSZACIVSA-N 0 3 278.421 2.323 20 10 CECDHN COc1cc(Cl)cc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000392456911 813304418 /nfs/dbraw/zinc/30/44/18/813304418.db2.gz KXMWLJVXUFZRIJ-SSDOTTSWSA-N 0 3 296.758 2.332 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C(C)(C)O)c1[O-] ZINC000393962386 813333932 /nfs/dbraw/zinc/33/39/32/813333932.db2.gz VKHRYVSKOJEFBZ-MRVPVSSYSA-N 0 3 273.760 2.303 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)C1CCC1 ZINC000399192482 813702589 /nfs/dbraw/zinc/70/25/89/813702589.db2.gz QPBJJJGNFGALDJ-MRXNPFEDSA-N 0 3 289.423 2.229 20 10 CECDHN COC(=O)CCCC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173453779 815735427 /nfs/dbraw/zinc/73/54/27/815735427.db2.gz NKQRSJWBCDVAIU-LLVKDONJSA-N 0 3 281.352 2.309 20 10 CECDHN O=C1NCCCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140055400 816179019 /nfs/dbraw/zinc/17/90/19/816179019.db2.gz VSTYZFWGOIHZHC-UHFFFAOYSA-N 0 3 292.354 2.024 20 10 CECDHN COC(=O)C1(C)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055257 816179462 /nfs/dbraw/zinc/17/94/62/816179462.db2.gz PMJHESLRMMJOBP-UHFFFAOYSA-N 0 3 281.327 2.306 20 10 CECDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140058093 816180701 /nfs/dbraw/zinc/18/07/01/816180701.db2.gz SNKPMVFNJVSFGP-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140058093 816180702 /nfs/dbraw/zinc/18/07/02/816180702.db2.gz SNKPMVFNJVSFGP-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN Cc1c(O)ccc(CN(C)Cc2cccnc2)c1O ZINC001140742397 816339103 /nfs/dbraw/zinc/33/91/03/816339103.db2.gz MRQLZKIHAPADPO-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029494 816450791 /nfs/dbraw/zinc/45/07/91/816450791.db2.gz UKTDDKJWRXMIDG-XHDPSFHLSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029494 816450795 /nfs/dbraw/zinc/45/07/95/816450795.db2.gz UKTDDKJWRXMIDG-XHDPSFHLSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)c(OC)c1 ZINC001141029344 816451216 /nfs/dbraw/zinc/45/12/16/816451216.db2.gz QQPMQEORQPLDRM-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)c(OC)c1 ZINC001141029344 816451223 /nfs/dbraw/zinc/45/12/23/816451223.db2.gz QQPMQEORQPLDRM-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN CN(C)c1ccc(CN2CCCN(C)CC2)cc1F ZINC000269373471 282289480 /nfs/dbraw/zinc/28/94/80/282289480.db2.gz UUTLXKKDJJKMEW-UHFFFAOYSA-N 0 3 265.376 2.029 20 10 CECDHN COc1cccc(CN2CCc3ccccc3[C@@H]2CO)c1O ZINC000093455542 344223941 /nfs/dbraw/zinc/22/39/41/344223941.db2.gz FHAHNBNRNVYECZ-INIZCTEOSA-N 0 3 299.370 2.493 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1ccc(N(C)C)c(C)c1 ZINC000293625582 283085609 /nfs/dbraw/zinc/08/56/09/283085609.db2.gz WJYNFAFUMZBRJK-UHFFFAOYSA-N 0 3 291.439 2.361 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1C[C@H]3CCC[C@@H]3C1)OCO2 ZINC000147936853 366577812 /nfs/dbraw/zinc/57/78/12/366577812.db2.gz VAXNJMZMWCSZGM-GHMZBOCLSA-N 0 3 261.321 2.353 20 10 CECDHN CCCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000091986722 364072998 /nfs/dbraw/zinc/07/29/98/364072998.db2.gz CZDYBERQQSYJKG-GFCCVEGCSA-N 0 3 295.379 2.422 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000091986722 364073008 /nfs/dbraw/zinc/07/30/08/364073008.db2.gz CZDYBERQQSYJKG-GFCCVEGCSA-N 0 3 295.379 2.422 20 10 CECDHN CCC(CC)(CO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000120514473 365436463 /nfs/dbraw/zinc/43/64/63/365436463.db2.gz KGBFCPVDDQJZNV-UHFFFAOYSA-N 0 3 281.352 2.009 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@@H](C)O)c1[O-] ZINC000169093619 367364349 /nfs/dbraw/zinc/36/43/49/367364349.db2.gz HVVOTTNICVDQKZ-MRVPVSSYSA-N 0 3 273.760 2.303 20 10 CECDHN C[C@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180058579 368366551 /nfs/dbraw/zinc/36/65/51/368366551.db2.gz VYNSAUVVKIUDEC-JTQLQIEISA-N 0 3 253.317 2.124 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCSC2)c1 ZINC000179681207 368346549 /nfs/dbraw/zinc/34/65/49/368346549.db2.gz AZWFSFSQNRXMSH-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCSC2)c1 ZINC000179681207 368346552 /nfs/dbraw/zinc/34/65/52/368346552.db2.gz AZWFSFSQNRXMSH-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000179888250 368356097 /nfs/dbraw/zinc/35/60/97/368356097.db2.gz UQXQFSRBVAZHAM-CHWSQXEVSA-N 0 3 265.353 2.238 20 10 CECDHN CC(C)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000179895969 368357353 /nfs/dbraw/zinc/35/73/53/368357353.db2.gz SEODMLLVZASLGJ-YPMHNXCESA-N 0 3 262.353 2.052 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000180014458 368362867 /nfs/dbraw/zinc/36/28/67/368362867.db2.gz HOBVENBPDNTZPG-CQSZACIVSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1[O-] ZINC000180014458 368362873 /nfs/dbraw/zinc/36/28/73/368362873.db2.gz HOBVENBPDNTZPG-CQSZACIVSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc(CN[C@H](C)C(=O)NCc2ccco2)c1O ZINC000181198130 368431017 /nfs/dbraw/zinc/43/10/17/368431017.db2.gz MQNITEOERYUOMR-GFCCVEGCSA-N 0 3 288.347 2.088 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCC(O)CC2)c([O-])c1 ZINC000185116354 368750188 /nfs/dbraw/zinc/75/01/88/368750188.db2.gz JCBNWAPXIVIXRZ-AWEZNQCLSA-N 0 3 292.423 2.198 20 10 CECDHN COC(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000159227007 261181505 /nfs/dbraw/zinc/18/15/05/261181505.db2.gz GYUSGRGCGZBJAX-UHFFFAOYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)C1CCN(Cc2cc(C)ccc2O)CC1 ZINC000159227007 261181507 /nfs/dbraw/zinc/18/15/07/261181507.db2.gz GYUSGRGCGZBJAX-UHFFFAOYSA-N 0 3 263.337 2.086 20 10 CECDHN C[N@H+](CCO[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000193071377 369889052 /nfs/dbraw/zinc/88/90/52/369889052.db2.gz CZNNTZZRGNMYHN-HNNXBMFYSA-N 0 3 265.353 2.367 20 10 CECDHN C[N@@H+](CCO[C@H]1CCCCO1)Cc1ccccc1[O-] ZINC000193071377 369889058 /nfs/dbraw/zinc/88/90/58/369889058.db2.gz CZNNTZZRGNMYHN-HNNXBMFYSA-N 0 3 265.353 2.367 20 10 CECDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224831742 370283043 /nfs/dbraw/zinc/28/30/43/370283043.db2.gz HMJHOKVHYWZLEJ-HNNXBMFYSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1ccc(O)c([C@H](C)NC[C@H](O)C(F)(F)F)c1 ZINC000230659198 370461952 /nfs/dbraw/zinc/46/19/52/370461952.db2.gz QRJSPHPXBIVDQR-KWQFWETISA-N 0 3 263.259 2.274 20 10 CECDHN COC[C@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])OC ZINC000230672149 370463371 /nfs/dbraw/zinc/46/33/71/370463371.db2.gz JXJSSYPIJARHBM-RYUDHWBXSA-N 0 3 253.342 2.013 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1[O-] ZINC000359956885 371494655 /nfs/dbraw/zinc/49/46/55/371494655.db2.gz FZFTVIOIWVGDDL-SKDRFNHKSA-N 0 3 275.327 2.463 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCOC3(CCC3)C1)OCO2 ZINC000268983701 372306989 /nfs/dbraw/zinc/30/69/89/372306989.db2.gz SFQFMXYUOJMCAB-LBPRGKRZSA-N 0 3 291.347 2.312 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000271015704 373067229 /nfs/dbraw/zinc/06/72/29/373067229.db2.gz TVQPGSWEULOLKB-ZYHUDNBSSA-N 0 3 277.286 2.492 20 10 CECDHN O=C1CCCN1CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000367441683 373152927 /nfs/dbraw/zinc/15/29/27/373152927.db2.gz YTJFNJGIFIMKCE-UHFFFAOYSA-N 0 3 288.391 2.227 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000366774299 373122008 /nfs/dbraw/zinc/12/20/08/373122008.db2.gz QMBPUTAQYWHSLM-VXGBXAGGSA-N 0 3 265.353 2.430 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCOC[C@H](C)C2)c1 ZINC000366774299 373122016 /nfs/dbraw/zinc/12/20/16/373122016.db2.gz QMBPUTAQYWHSLM-VXGBXAGGSA-N 0 3 265.353 2.430 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H](OC)C(C)C)cc1OC ZINC000271826407 373204664 /nfs/dbraw/zinc/20/46/64/373204664.db2.gz NWDXABYHVQLMSC-OAHLLOKOSA-N 0 3 283.368 2.170 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809970 373263845 /nfs/dbraw/zinc/26/38/45/373263845.db2.gz LJOHCGPUAWKVGK-GOEBONIOSA-N 0 3 277.364 2.335 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809970 373263855 /nfs/dbraw/zinc/26/38/55/373263855.db2.gz LJOHCGPUAWKVGK-GOEBONIOSA-N 0 3 277.364 2.335 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272261099 373392348 /nfs/dbraw/zinc/39/23/48/373392348.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1 ZINC000272261099 373392353 /nfs/dbraw/zinc/39/23/53/373392353.db2.gz ARCLJNKWMYBRKH-HIFRSBDPSA-N 0 3 260.381 2.227 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC[C@H](COC)OC)cc1 ZINC000272642459 373596468 /nfs/dbraw/zinc/59/64/68/373596468.db2.gz CXSHJFBFPAHGRT-XJKSGUPXSA-N 0 3 280.412 2.455 20 10 CECDHN CN(C)c1ccc(CN(C)CCc2cnccn2)cc1 ZINC000272723222 373630891 /nfs/dbraw/zinc/63/08/91/373630891.db2.gz FTFBLGXXIBUWGL-UHFFFAOYSA-N 0 3 270.380 2.217 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(CCCO)CC1)OCO2 ZINC000272977938 373739900 /nfs/dbraw/zinc/73/99/00/373739900.db2.gz UEOWPMHAHPTAQK-UHFFFAOYSA-N 0 3 293.363 2.105 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c([O-])c1C ZINC000273411836 373755883 /nfs/dbraw/zinc/75/58/83/373755883.db2.gz PVMRHEGWJAZVOF-OCCSQVGLSA-N 0 3 276.380 2.328 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1C ZINC000273530781 373762212 /nfs/dbraw/zinc/76/22/12/373762212.db2.gz WEKUWDGFIOACTD-XJKSGUPXSA-N 0 3 293.407 2.447 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000282533526 375510222 /nfs/dbraw/zinc/51/02/22/375510222.db2.gz VIBAEMCZHPYXCG-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1=O ZINC000282533526 375510227 /nfs/dbraw/zinc/51/02/27/375510227.db2.gz VIBAEMCZHPYXCG-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284206262 375826532 /nfs/dbraw/zinc/82/65/32/375826532.db2.gz SLLXVSRWVLYHJM-GJZGRUSLSA-N 0 3 292.423 2.380 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)CCn2cccn2)c1[O-] ZINC000289186393 376388454 /nfs/dbraw/zinc/38/84/54/376388454.db2.gz BASLMYWVIYMHRM-GFCCVEGCSA-N 0 3 275.352 2.166 20 10 CECDHN COC[C@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000294137814 377916888 /nfs/dbraw/zinc/91/68/88/377916888.db2.gz FZXCCNADWAIVTJ-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000294137814 377916893 /nfs/dbraw/zinc/91/68/93/377916893.db2.gz FZXCCNADWAIVTJ-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC(=O)c1cc(C[NH2+]Cc2ccccc2[O-])[nH]c1C ZINC000294707492 378014638 /nfs/dbraw/zinc/01/46/38/378014638.db2.gz BFWIRZYTQVSQBJ-UHFFFAOYSA-N 0 3 288.347 2.495 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000295206320 378049820 /nfs/dbraw/zinc/04/98/20/378049820.db2.gz KUXLIZFWXNFXBQ-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000295206320 378049824 /nfs/dbraw/zinc/04/98/24/378049824.db2.gz KUXLIZFWXNFXBQ-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000296092762 378416143 /nfs/dbraw/zinc/41/61/43/378416143.db2.gz YGWPYZQOKCIMNU-CQSZACIVSA-N 0 3 292.423 2.116 20 10 CECDHN COC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCC1 ZINC000296082381 378411959 /nfs/dbraw/zinc/41/19/59/378411959.db2.gz QQUWEVXJHPCMAH-UHFFFAOYSA-N 0 3 279.336 2.170 20 10 CECDHN CC[C@H](C)N(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226590706 262379571 /nfs/dbraw/zinc/37/95/71/262379571.db2.gz IFEUMPBWLUBVEG-NSHDSACASA-N 0 3 254.349 2.351 20 10 CECDHN C[C@H]([C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000297766274 299609266 /nfs/dbraw/zinc/60/92/66/299609266.db2.gz OZZGNGZRFFHAOB-GUTXKFCHSA-N 0 3 290.407 2.078 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccco2)c1 ZINC000266134887 394659911 /nfs/dbraw/zinc/65/99/11/394659911.db2.gz FGHROITZQFPODF-HNNXBMFYSA-N 0 3 261.321 2.291 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CC(N)=O)C2)cc1C ZINC000093808729 394669124 /nfs/dbraw/zinc/66/91/24/394669124.db2.gz DGNBEWPHNCPOQP-ZDUSSCGKSA-N 0 3 276.380 2.096 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CC(N)=O)C2)cc1C ZINC000093808729 394669129 /nfs/dbraw/zinc/66/91/29/394669129.db2.gz DGNBEWPHNCPOQP-ZDUSSCGKSA-N 0 3 276.380 2.096 20 10 CECDHN COC[C@@H](C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271122792 394747341 /nfs/dbraw/zinc/74/73/41/394747341.db2.gz KZQAUZQUMVAZFW-LLVKDONJSA-N 0 3 254.349 2.358 20 10 CECDHN COCCn1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cn1 ZINC000281912930 394874569 /nfs/dbraw/zinc/87/45/69/394874569.db2.gz ABSWQYYRIXGYPX-LLVKDONJSA-N 0 3 293.342 2.225 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000362241840 394850662 /nfs/dbraw/zinc/85/06/62/394850662.db2.gz ZKLCOCOLUFBLDF-OAHLLOKOSA-N 0 3 298.390 2.249 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC000282397146 394919384 /nfs/dbraw/zinc/91/93/84/394919384.db2.gz RJHXGEFLWXVUKS-YPMHNXCESA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1[O-] ZINC000282397146 394919387 /nfs/dbraw/zinc/91/93/87/394919387.db2.gz RJHXGEFLWXVUKS-YPMHNXCESA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727813 394967722 /nfs/dbraw/zinc/96/77/22/394967722.db2.gz YUPUEWMBZUFQRZ-WDEREUQCSA-N 0 3 294.395 2.355 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000368133457 394978979 /nfs/dbraw/zinc/97/89/79/394978979.db2.gz URJYARALXSUHDQ-YOEHRIQHSA-N 0 3 285.343 2.285 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000373177297 395056010 /nfs/dbraw/zinc/05/60/10/395056010.db2.gz ORKIJDKAKQBHAQ-GDBMZVCRSA-N 0 3 277.364 2.448 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000373177298 395056145 /nfs/dbraw/zinc/05/61/45/395056145.db2.gz ORKIJDKAKQBHAQ-GOEBONIOSA-N 0 3 277.364 2.448 20 10 CECDHN COC(=O)[C@H]1CN(Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000374255580 395077770 /nfs/dbraw/zinc/07/77/70/395077770.db2.gz KHMVHWOWLVZUNA-OAHLLOKOSA-N 0 3 290.407 2.384 20 10 CECDHN COC(C)(C)C[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000174553261 395125312 /nfs/dbraw/zinc/12/53/12/395125312.db2.gz NGGANHQTTBEXQZ-JTQLQIEISA-N 0 3 281.352 2.414 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293653565 395244923 /nfs/dbraw/zinc/24/49/23/395244923.db2.gz ISOPEZIACHNJDO-CHWSQXEVSA-N 0 3 267.369 2.057 20 10 CECDHN COCCOCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628929 172307963 /nfs/dbraw/zinc/30/79/63/172307963.db2.gz BYHKQRVCMCVLCQ-CYBMUJFWSA-N 0 3 267.369 2.404 20 10 CECDHN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613488 260227156 /nfs/dbraw/zinc/22/71/56/260227156.db2.gz AKIYLWGJSRBNJG-JOYOIKCWSA-N 0 3 276.302 2.326 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCCOCCOC)cc1 ZINC000153997544 261086402 /nfs/dbraw/zinc/08/64/02/261086402.db2.gz IFMOBMDMRDOYFX-CQSZACIVSA-N 0 3 280.412 2.456 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccccc1[O-] ZINC000156562967 261126429 /nfs/dbraw/zinc/12/64/29/261126429.db2.gz WKDVJAZHISCEDK-AAEUAGOBSA-N 0 3 285.409 2.256 20 10 CECDHN COC(=O)C[C@H]1CSCCN1Cc1cccc(C)c1O ZINC000180401397 261857608 /nfs/dbraw/zinc/85/76/08/261857608.db2.gz XSIYZSLYRQTKSZ-ZDUSSCGKSA-N 0 3 295.404 2.181 20 10 CECDHN CC1(CO)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000184070878 262007337 /nfs/dbraw/zinc/00/73/37/262007337.db2.gz PAKAKXUIDRJDSJ-UHFFFAOYSA-N 0 3 253.317 2.126 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116025 262042130 /nfs/dbraw/zinc/04/21/30/262042130.db2.gz SLFSAJNAACKOHH-AWEZNQCLSA-N 0 3 292.423 2.198 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211595 262084368 /nfs/dbraw/zinc/08/43/68/262084368.db2.gz VBPGXQUBBNSSSB-LLVKDONJSA-N 0 3 251.326 2.114 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000278620806 277263711 /nfs/dbraw/zinc/26/37/11/277263711.db2.gz CFVMYACKCUKUTE-DGFSRKRXSA-N 0 3 283.343 2.376 20 10 CECDHN CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])[C@H](O)C(F)F ZINC000294927520 288080553 /nfs/dbraw/zinc/08/05/53/288080553.db2.gz BKGVJIQGWKBTEF-WLTAIBSBSA-N 0 3 289.322 2.456 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cnn(C)c1 ZINC000297704506 279548602 /nfs/dbraw/zinc/54/86/02/279548602.db2.gz MOAUQPHCPXQASX-GWCFXTLKSA-N 0 3 257.337 2.464 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCSCCCO)c1 ZINC000185378650 327839294 /nfs/dbraw/zinc/83/92/94/327839294.db2.gz ONALHQRZFWREPX-LBPRGKRZSA-N 0 3 269.410 2.467 20 10 CECDHN CC1(C)SC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282696169 327978077 /nfs/dbraw/zinc/97/80/77/327978077.db2.gz LNUYGGUDWJEMSM-GFCCVEGCSA-N 0 3 267.350 2.105 20 10 CECDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccco2)cc1F ZINC000266127249 328168017 /nfs/dbraw/zinc/16/80/17/328168017.db2.gz BXXYIJGJLBZAHP-INIZCTEOSA-N 0 3 292.354 2.482 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCCC[C@H](CO)C2)c1[O-] ZINC000378346499 329046945 /nfs/dbraw/zinc/04/69/45/329046945.db2.gz FONMEHZLBLGIRA-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[N@H+]2CCCC[C@H](CO)C2)c1[O-] ZINC000378346499 329046946 /nfs/dbraw/zinc/04/69/46/329046946.db2.gz FONMEHZLBLGIRA-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CC1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000160631432 330870430 /nfs/dbraw/zinc/87/04/30/330870430.db2.gz MXLPMGCHOJBWRZ-NSHDSACASA-N 0 3 279.336 2.168 20 10 CECDHN CCOc1cccc(C[NH2+]CCN(CC)C2CC2)c1[O-] ZINC000227550956 333285622 /nfs/dbraw/zinc/28/56/22/333285622.db2.gz AFYDFVLCPFZNAT-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN c1cc(CN[C@H]2CCO[C@@H]2C2CC2)cc2c1OCC2 ZINC000230313465 333316483 /nfs/dbraw/zinc/31/64/83/333316483.db2.gz VFKUUJGRPVGDTJ-GOEBONIOSA-N 0 3 259.349 2.279 20 10 CECDHN COc1cccc(C[NH2+]CCCn2nc(C)cc2C)c1[O-] ZINC000134225443 334084702 /nfs/dbraw/zinc/08/47/02/334084702.db2.gz YXJVECPLUDQYAH-UHFFFAOYSA-N 0 3 289.379 2.394 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000134227649 334084972 /nfs/dbraw/zinc/08/49/72/334084972.db2.gz FJQLWOMGRIGMQI-AWEZNQCLSA-N 0 3 291.322 2.061 20 10 CECDHN CC[C@H]([NH2+]CCC(=O)NC(C)C)c1ccccc1[O-] ZINC000135734304 334137392 /nfs/dbraw/zinc/13/73/92/334137392.db2.gz ZKSMMQNWCGWBFX-ZDUSSCGKSA-N 0 3 264.369 2.348 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000228675559 522540562 /nfs/dbraw/zinc/54/05/62/522540562.db2.gz IMQARSXMWUBAST-VIFPVBQESA-N 0 3 273.760 2.162 20 10 CECDHN CC(=O)Nc1ccc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000278740501 519717519 /nfs/dbraw/zinc/71/75/19/519717519.db2.gz VLKMWIYUPZTMHV-UHFFFAOYSA-N 0 3 298.390 2.396 20 10 CECDHN CCOc1cccc(CN2CCSCC2)c1O ZINC000126191546 521341728 /nfs/dbraw/zinc/34/17/28/521341728.db2.gz UDXQUGBALWUESS-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000279661600 521371824 /nfs/dbraw/zinc/37/18/24/521371824.db2.gz GLJMXELWFSXUOU-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN CCOC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000188865390 521626385 /nfs/dbraw/zinc/62/63/85/521626385.db2.gz WISDJFOPBROEKN-UHFFFAOYSA-N 0 3 283.368 2.314 20 10 CECDHN COCCn1cc(CN[C@@H](C)c2cc(C)ccc2O)cn1 ZINC000282433438 522095066 /nfs/dbraw/zinc/09/50/66/522095066.db2.gz DJUWIRRRZNOLBA-ZDUSSCGKSA-N 0 3 289.379 2.394 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000280260121 522866071 /nfs/dbraw/zinc/86/60/71/522866071.db2.gz XDISGEQJXYBMPD-TZMCWYRMSA-N 0 3 297.420 2.176 20 10 CECDHN CC[C@@H](c1ccccc1O)N1CCO[C@@H](COC)C1 ZINC000366696210 523106316 /nfs/dbraw/zinc/10/63/16/523106316.db2.gz YJXGHVMRJBNQOZ-OCCSQVGLSA-N 0 3 265.353 2.191 20 10 CECDHN COCCN(CCOC)Cc1cc(C)c(C)cc1O ZINC000083104523 523719614 /nfs/dbraw/zinc/71/96/14/523719614.db2.gz UWUQPMWVGZAXNX-UHFFFAOYSA-N 0 3 267.369 2.104 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000037140802 524748580 /nfs/dbraw/zinc/74/85/80/524748580.db2.gz SORWBPUFHHEPHB-UHFFFAOYSA-N 0 3 276.380 2.117 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044688 524769468 /nfs/dbraw/zinc/76/94/68/524769468.db2.gz WMACOPKNVDSJBC-MNOVXSKESA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289701024 524769898 /nfs/dbraw/zinc/76/98/98/524769898.db2.gz IPLAKRFRJVFLFU-JTQLQIEISA-N 0 3 261.325 2.017 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000094616809 525311747 /nfs/dbraw/zinc/31/17/47/525311747.db2.gz BADDUXIZSVINCI-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN Cc1cc(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280390753 525319528 /nfs/dbraw/zinc/31/95/28/525319528.db2.gz WWBAUHFHDZTODN-YOEHRIQHSA-N 0 3 291.391 2.389 20 10 CECDHN COc1cccc(C[NH2+]CCc2cccnc2)c1[O-] ZINC000037717731 526016498 /nfs/dbraw/zinc/01/64/98/526016498.db2.gz ZUEPWMROTAVGJO-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000290270830 526350983 /nfs/dbraw/zinc/35/09/83/526350983.db2.gz XVULRCQUPRLMSQ-CJNGLKHVSA-N 0 3 289.306 2.116 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000290406016 526371782 /nfs/dbraw/zinc/37/17/82/526371782.db2.gz JTNPKICDXSBXTM-UHFFFAOYSA-N 0 3 270.323 2.165 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCN(CC(F)F)CC1 ZINC000290406016 526371788 /nfs/dbraw/zinc/37/17/88/526371788.db2.gz JTNPKICDXSBXTM-UHFFFAOYSA-N 0 3 270.323 2.165 20 10 CECDHN Cc1nc(CCN(C)Cc2ccc(N(C)C)c(C)c2)no1 ZINC000292748535 526812093 /nfs/dbraw/zinc/81/20/93/526812093.db2.gz HYBMAZRBNKYRMC-UHFFFAOYSA-N 0 3 288.395 2.427 20 10 CECDHN CC[C@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[O-] ZINC000748242537 574437924 /nfs/dbraw/zinc/43/79/24/574437924.db2.gz OVFQIUDMZWFTGI-CQSZACIVSA-N 0 3 251.326 2.214 20 10 CECDHN O=C(C[N@@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC1 ZINC000731848155 574603749 /nfs/dbraw/zinc/60/37/49/574603749.db2.gz VKIGVTVGHJKMCD-UHFFFAOYSA-N 0 3 288.391 2.369 20 10 CECDHN O=C(C[N@H+](Cc1ccccc1[O-])C1CCCC1)N1CCC1 ZINC000731848155 574603751 /nfs/dbraw/zinc/60/37/51/574603751.db2.gz VKIGVTVGHJKMCD-UHFFFAOYSA-N 0 3 288.391 2.369 20 10 CECDHN CC(C)[NH+](CCNC(=O)c1cc([O-])cs1)C(C)C ZINC000731864482 574604281 /nfs/dbraw/zinc/60/42/81/574604281.db2.gz XSSGDYGVHGNKFJ-UHFFFAOYSA-N 0 3 270.398 2.302 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)CC)c([O-])c1 ZINC000732229201 574615193 /nfs/dbraw/zinc/61/51/93/574615193.db2.gz HSOBZVPNHHDUFM-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](OC)C(F)(F)F)c([O-])c1 ZINC000733329946 574664982 /nfs/dbraw/zinc/66/49/82/574664982.db2.gz MEDUWXRUXGRJGE-LBPRGKRZSA-N 0 3 293.285 2.458 20 10 CECDHN CC[NH+](CC)[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743784788 575109478 /nfs/dbraw/zinc/10/94/78/575109478.db2.gz MDFGJWDNFNFBSK-JTQLQIEISA-N 0 3 268.382 2.010 20 10 CECDHN C[NH2+]C[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000040592979 623173559 /nfs/dbraw/zinc/17/35/59/623173559.db2.gz XXKVRSMLPSZEDG-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN C[C@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247411 623322605 /nfs/dbraw/zinc/32/26/05/623322605.db2.gz HBCSCXWJNPQPPY-VBNZEHGJSA-N 0 3 289.423 2.128 20 10 CECDHN Cc1cc(CN2CCC[C@H]2C2OCCO2)ccc1N(C)C ZINC000933899660 624076134 /nfs/dbraw/zinc/07/61/34/624076134.db2.gz FLRXOURFKLAHHF-INIZCTEOSA-N 0 3 290.407 2.398 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CCCOC2)c([O-])c1 ZINC000725847151 625775984 /nfs/dbraw/zinc/77/59/84/625775984.db2.gz DHLPNJHBPUCEOP-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN C[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])[S@](C)=O ZINC000168848160 627687771 /nfs/dbraw/zinc/68/77/71/627687771.db2.gz OPWIJMGPPRFUTA-AUSHCKSDSA-N 0 3 273.373 2.339 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892790535 627775627 /nfs/dbraw/zinc/77/56/27/627775627.db2.gz DSTNVBURLKUAAC-STQMWFEESA-N 0 3 281.327 2.116 20 10 CECDHN C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(F)ccc1[O-] ZINC000094617144 628868117 /nfs/dbraw/zinc/86/81/17/628868117.db2.gz ANNKEKXXCVJGBT-SNVBAGLBSA-N 0 3 288.322 2.481 20 10 CECDHN CNC(=O)C1(NCc2ccc3c(c2)CCCO3)CCCC1 ZINC000893696476 628929809 /nfs/dbraw/zinc/92/98/09/628929809.db2.gz KEBONFLARICCNA-UHFFFAOYSA-N 0 3 288.391 2.160 20 10 CECDHN COc1ccc(CNCc2cnccc2C)c(O)c1OC ZINC000894729765 629609988 /nfs/dbraw/zinc/60/99/88/629609988.db2.gz SQVIIBHDBSTIHX-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN CNC(=O)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000795606833 629630370 /nfs/dbraw/zinc/63/03/70/629630370.db2.gz TUAWPQQWXKANKQ-HNNXBMFYSA-N 0 3 284.359 2.359 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC(C)=NO2)c1[O-] ZINC000895302856 630094981 /nfs/dbraw/zinc/09/49/81/630094981.db2.gz CGIIDBLVAFMRHT-NSHDSACASA-N 0 3 284.743 2.309 20 10 CECDHN COc1cc(Cl)cc(CNC[C@@H]2CC(C)=NO2)c1O ZINC000895302856 630094982 /nfs/dbraw/zinc/09/49/82/630094982.db2.gz CGIIDBLVAFMRHT-NSHDSACASA-N 0 3 284.743 2.309 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1 ZINC000895315524 630103554 /nfs/dbraw/zinc/10/35/54/630103554.db2.gz AQSHMNKZGKVDTI-HNNXBMFYSA-N 0 3 289.423 2.147 20 10 CECDHN COC(=O)C[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000896469108 630569082 /nfs/dbraw/zinc/56/90/82/630569082.db2.gz VRKYLMHXVQACAG-CHWSQXEVSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000896469108 630569085 /nfs/dbraw/zinc/56/90/85/630569085.db2.gz VRKYLMHXVQACAG-CHWSQXEVSA-N 0 3 277.364 2.332 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000896668144 630629282 /nfs/dbraw/zinc/62/92/82/630629282.db2.gz BQMXSNFDOFKUKG-MRXNPFEDSA-N 0 3 279.380 2.374 20 10 CECDHN Cc1cc(CC[NH2+]Cc2c(C)cccc2[O-])nn1C ZINC000896818800 630679276 /nfs/dbraw/zinc/67/92/76/630679276.db2.gz IJJBJYXIAKHHFW-UHFFFAOYSA-N 0 3 259.353 2.075 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)[C@@H](C)O)c([O-])c1 ZINC000824921747 635525859 /nfs/dbraw/zinc/52/58/59/635525859.db2.gz PQVHBLCLROEXSJ-ZWNOBZJWSA-N 0 3 253.342 2.040 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](CO)C(C)C)c([O-])c1 ZINC000808421872 631960781 /nfs/dbraw/zinc/96/07/81/631960781.db2.gz SLADNIZAGGXPSN-CYBMUJFWSA-N 0 3 267.369 2.145 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000808689169 632000828 /nfs/dbraw/zinc/00/08/28/632000828.db2.gz ZLTFJSLXCLUFBV-GXSJLCMTSA-N 0 3 282.771 2.235 20 10 CECDHN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695274 632002149 /nfs/dbraw/zinc/00/21/49/632002149.db2.gz KHFCEKWXMUNOJD-YGRLFVJLSA-N 0 3 287.787 2.402 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697835 632002582 /nfs/dbraw/zinc/00/25/82/632002582.db2.gz WTCKVEBFYYLOHK-JQWIXIFHSA-N 0 3 287.787 2.402 20 10 CECDHN COC[C@@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717010 632005479 /nfs/dbraw/zinc/00/54/79/632005479.db2.gz BRDCSOWUGIKDBH-KOLCDFICSA-N 0 3 273.760 2.012 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809752725 632141229 /nfs/dbraw/zinc/14/12/29/632141229.db2.gz WASCWFAILKWRRN-GFCCVEGCSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809752725 632141234 /nfs/dbraw/zinc/14/12/34/632141234.db2.gz WASCWFAILKWRRN-GFCCVEGCSA-N 0 3 285.771 2.257 20 10 CECDHN C[C@H]1CC[NH2+]C[C@@H]1NCc1cccc(Br)c1[O-] ZINC000841059187 632362597 /nfs/dbraw/zinc/36/25/97/632362597.db2.gz MPMXXDGPMDAIRH-CABZTGNLSA-N 0 3 299.212 2.242 20 10 CECDHN CCOc1ccc(O)c(CN(C)Cc2cnc[nH]2)c1 ZINC000826769841 635842573 /nfs/dbraw/zinc/84/25/73/635842573.db2.gz SPZJNFZDHWRJAK-UHFFFAOYSA-N 0 3 261.325 2.146 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000815147656 632972742 /nfs/dbraw/zinc/97/27/42/632972742.db2.gz UVNDKILZTXBYFT-MRXNPFEDSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000815160153 632974945 /nfs/dbraw/zinc/97/49/45/632974945.db2.gz REFUBIURYZWWTE-NHYWBVRUSA-N 0 3 265.353 2.042 20 10 CECDHN C[C@@H]1CC[C@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000817415274 633653409 /nfs/dbraw/zinc/65/34/09/633653409.db2.gz WAGVIQPOOVUNDC-YPMHNXCESA-N 0 3 266.360 2.237 20 10 CECDHN COC[C@@]1(CN[C@H](C)c2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000817975887 633819079 /nfs/dbraw/zinc/81/90/79/633819079.db2.gz ZFQJCUFJJWNQEJ-ABAIWWIYSA-N 0 3 298.814 2.465 20 10 CECDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000817977938 633821494 /nfs/dbraw/zinc/82/14/94/633821494.db2.gz RVAPVPJSADPCBV-BXSSEVMYSA-N 0 3 286.297 2.279 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000903260314 635033477 /nfs/dbraw/zinc/03/34/77/635033477.db2.gz OVBHOROECILEQL-ANONENCNSA-N 0 3 292.354 2.323 20 10 CECDHN COc1nn(C)cc1CN[C@@H](C)c1ccc(C)cc1O ZINC000903338621 635068997 /nfs/dbraw/zinc/06/89/97/635068997.db2.gz SHMJZSFIUZTLKV-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903342012 635069608 /nfs/dbraw/zinc/06/96/08/635069608.db2.gz AREQRFXZVABMNJ-HUUCEWRRSA-N 0 3 290.407 2.080 20 10 CECDHN COC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000825158533 635581875 /nfs/dbraw/zinc/58/18/75/635581875.db2.gz OZDQYZMPAUHUQQ-OAHLLOKOSA-N 0 3 299.798 2.185 20 10 CECDHN COC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000825158533 635581880 /nfs/dbraw/zinc/58/18/80/635581880.db2.gz OZDQYZMPAUHUQQ-OAHLLOKOSA-N 0 3 299.798 2.185 20 10 CECDHN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000827680565 636387160 /nfs/dbraw/zinc/38/71/60/636387160.db2.gz PZCASAGFQVUIRT-CQSZACIVSA-N 0 3 276.380 2.129 20 10 CECDHN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827680565 636387165 /nfs/dbraw/zinc/38/71/65/636387165.db2.gz PZCASAGFQVUIRT-CQSZACIVSA-N 0 3 276.380 2.129 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 ZINC000834578566 637878527 /nfs/dbraw/zinc/87/85/27/637878527.db2.gz UWSVPAVFYQBSEI-OCCSQVGLSA-N 0 3 277.364 2.022 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620984 637893119 /nfs/dbraw/zinc/89/31/19/637893119.db2.gz ZTXMVVSAOPZDTH-OLZOCXBDSA-N 0 3 269.348 2.250 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680703 637917619 /nfs/dbraw/zinc/91/76/19/637917619.db2.gz GFKZBGWIPRITTR-TZMCWYRMSA-N 0 3 269.348 2.250 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CCO)C1CCOCC1)CC2 ZINC000834766380 637944387 /nfs/dbraw/zinc/94/43/87/637944387.db2.gz SVAOQUHTYRCTQC-LSDHHAIUSA-N 0 3 291.391 2.147 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)ccc1[O-] ZINC000834849994 637970644 /nfs/dbraw/zinc/97/06/44/637970644.db2.gz ICRSLOXTMRWXTK-JSGCOSHPSA-N 0 3 296.386 2.029 20 10 CECDHN COCC(COC)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834894083 637980196 /nfs/dbraw/zinc/98/01/96/637980196.db2.gz YYJMFGCWXPDMHJ-CABZTGNLSA-N 0 3 283.343 2.331 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C)cc1[O-] ZINC000834892546 637980517 /nfs/dbraw/zinc/98/05/17/637980517.db2.gz WAILKCSOHDAEPZ-GXTWGEPZSA-N 0 3 276.380 2.362 20 10 CECDHN CCO[C@@H]1COC[C@H]1N[C@H](C)c1ccc(N(C)C)cc1 ZINC000834904075 637982465 /nfs/dbraw/zinc/98/24/65/637982465.db2.gz MMYRLDPQKVAIDX-DAXOMENPSA-N 0 3 278.396 2.207 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000834907531 637983718 /nfs/dbraw/zinc/98/37/18/637983718.db2.gz VPLFDPMKJJIZKQ-SCRDCRAPSA-N 0 3 276.380 2.395 20 10 CECDHN CN(C)c1ccc(/C=C/CNCc2cnn(C)c2)cc1 ZINC000835036030 638033148 /nfs/dbraw/zinc/03/31/48/638033148.db2.gz NPQPKMKBWWTFRX-SNAWJCMRSA-N 0 3 270.380 2.289 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876919563 650487168 /nfs/dbraw/zinc/48/71/68/650487168.db2.gz WFYHCLSLZRTVFL-UHFFFAOYSA-N 0 3 292.379 2.411 20 10 CECDHN CC[C@@H]([NH2+]Cc1c([O-])cccc1OC)[C@@H](O)C(C)C ZINC000840966475 639603901 /nfs/dbraw/zinc/60/39/01/639603901.db2.gz GBWDDXLGQGAIQW-DOMZBBRYSA-N 0 3 267.369 2.286 20 10 CECDHN CC(C)[C@H]([NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841028735 639620852 /nfs/dbraw/zinc/62/08/52/639620852.db2.gz CZIICVGIYVFCSD-SNVBAGLBSA-N 0 3 260.740 2.258 20 10 CECDHN [O-]c1cccc(Cl)c1CNC[C@H]1CCCC[NH2+]1 ZINC000841032212 639623721 /nfs/dbraw/zinc/62/37/21/639623721.db2.gz AMSFSGSCTHXMHR-SNVBAGLBSA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCCN1 ZINC000841032920 639625252 /nfs/dbraw/zinc/62/52/52/639625252.db2.gz KAKAVERJOCRUOY-NSHDSACASA-N 0 3 272.751 2.416 20 10 CECDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1 ZINC000841061176 639636683 /nfs/dbraw/zinc/63/66/83/639636683.db2.gz FWGQDNUZVGBHAB-GXSJLCMTSA-N 0 3 254.761 2.276 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](O)Cc2ccccc2)c([O-])c1 ZINC000877014487 650532016 /nfs/dbraw/zinc/53/20/16/650532016.db2.gz CODMMGLBZPUCPO-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN C[N@H+](CCOC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000152295300 640201883 /nfs/dbraw/zinc/20/18/83/640201883.db2.gz VCHBNCWTOQTHPG-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000152295300 640201886 /nfs/dbraw/zinc/20/18/86/640201886.db2.gz VCHBNCWTOQTHPG-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN [NH3+]C[C@@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843047788 640252359 /nfs/dbraw/zinc/25/23/59/640252359.db2.gz VGTMKOIJZZQGSI-JTQLQIEISA-N 0 3 254.761 2.216 20 10 CECDHN C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843058484 640261140 /nfs/dbraw/zinc/26/11/40/640261140.db2.gz UIAHEKIYZLQXAF-NXEZZACHSA-N 0 3 254.761 2.215 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000877132822 650588140 /nfs/dbraw/zinc/58/81/40/650588140.db2.gz OKUNPWRRNWALRT-ZBFHGGJFSA-N 0 3 277.364 2.128 20 10 CECDHN CCC(=O)CCN(C)CCN(C)c1ccc(OC)cc1 ZINC000844402942 640709725 /nfs/dbraw/zinc/70/97/25/640709725.db2.gz XOJPIILKABSVTD-UHFFFAOYSA-N 0 3 278.396 2.432 20 10 CECDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000154475618 640908434 /nfs/dbraw/zinc/90/84/34/640908434.db2.gz OPORVXGKDYDJFK-CYBMUJFWSA-N 0 3 253.317 2.267 20 10 CECDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000154475618 640908437 /nfs/dbraw/zinc/90/84/37/640908437.db2.gz OPORVXGKDYDJFK-CYBMUJFWSA-N 0 3 253.317 2.267 20 10 CECDHN C[C@H](COCC1CC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846072868 641173257 /nfs/dbraw/zinc/17/32/57/641173257.db2.gz JRIFUAUMJRADND-SNVBAGLBSA-N 0 3 253.317 2.436 20 10 CECDHN CCOc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846113557 641188271 /nfs/dbraw/zinc/18/82/71/641188271.db2.gz YNBMVNUZZLBGJT-PHIMTYICSA-N 0 3 269.291 2.488 20 10 CECDHN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179563718 641366463 /nfs/dbraw/zinc/36/64/63/641366463.db2.gz ZUJWHOIKRWRWIJ-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CCN(CC)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179563718 641366466 /nfs/dbraw/zinc/36/64/66/641366466.db2.gz ZUJWHOIKRWRWIJ-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN Cc1cc(CN2CCN(c3ncc[nH]3)CC2)ccc1N(C)C ZINC000846875071 641463468 /nfs/dbraw/zinc/46/34/68/641463468.db2.gz CPZQVCRDJCDYCA-UHFFFAOYSA-N 0 3 299.422 2.106 20 10 CECDHN COc1ccc(O)c(CNCc2scnc2C)c1 ZINC000071212571 641731098 /nfs/dbraw/zinc/73/10/98/641731098.db2.gz CHBJZURSLKTKLR-UHFFFAOYSA-N 0 3 264.350 2.456 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183487549 641750388 /nfs/dbraw/zinc/75/03/88/641750388.db2.gz DUAJTAKYAISBJK-UONOGXRCSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@@H](NCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000126494058 650696937 /nfs/dbraw/zinc/69/69/37/650696937.db2.gz XCZWRTHGTWIZLU-GFCCVEGCSA-N 0 3 277.412 2.318 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000185791293 642029380 /nfs/dbraw/zinc/02/93/80/642029380.db2.gz ZNTZQFOTXADCFR-RYUDHWBXSA-N 0 3 285.409 2.174 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000848556436 642052369 /nfs/dbraw/zinc/05/23/69/642052369.db2.gz XQOUSSMAVCHTFO-YGRLFVJLSA-N 0 3 287.787 2.402 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848572801 642060213 /nfs/dbraw/zinc/06/02/13/642060213.db2.gz VXORELFWNIOTTA-YPMHNXCESA-N 0 3 290.363 2.334 20 10 CECDHN CCc1nc([C@H](C)NCc2cccc(CC)c2O)n[nH]1 ZINC000848901193 642179495 /nfs/dbraw/zinc/17/94/95/642179495.db2.gz WNKCAKVMKWIBKD-JTQLQIEISA-N 0 3 274.368 2.486 20 10 CECDHN Cc1ccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877495552 650750675 /nfs/dbraw/zinc/75/06/75/650750675.db2.gz YLSTWCCXUIPOEA-YOEHRIQHSA-N 0 3 291.391 2.471 20 10 CECDHN CCN(CC)c1ccc(CNC/C=C\CO)cc1F ZINC000850357297 642681004 /nfs/dbraw/zinc/68/10/04/642681004.db2.gz DZSPVKZGCYINHR-WAYWQWQTSA-N 0 3 266.360 2.310 20 10 CECDHN COCC1(C[NH2+]Cc2c(C)cccc2[O-])CCOCC1 ZINC000877543281 650778091 /nfs/dbraw/zinc/77/80/91/650778091.db2.gz BQEYJSAEXKTVOE-UHFFFAOYSA-N 0 3 279.380 2.233 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000850484402 642728944 /nfs/dbraw/zinc/72/89/44/642728944.db2.gz IIQHJWPFIYTGCI-XJKCOSOUSA-N 0 3 279.380 2.403 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000850493364 642732059 /nfs/dbraw/zinc/73/20/59/642732059.db2.gz VWGUZDVSHZWVCV-DOMZBBRYSA-N 0 3 279.380 2.484 20 10 CECDHN CC1(C)OCC(NCc2ccc3c(c2)CCCO3)CO1 ZINC000921994516 642828396 /nfs/dbraw/zinc/82/83/96/642828396.db2.gz AZJSZDYOEVGUHA-UHFFFAOYSA-N 0 3 277.364 2.253 20 10 CECDHN OC[C@@H](CC(F)F)NCc1ccc2c(c1)CCCO2 ZINC000922059239 642860272 /nfs/dbraw/zinc/86/02/72/642860272.db2.gz JRLMSECNCGDLQA-GFCCVEGCSA-N 0 3 271.307 2.117 20 10 CECDHN Cc1ccc(C[NH2+]CC2(CS(C)(=O)=O)CCC2)c([O-])c1 ZINC000877592647 650805368 /nfs/dbraw/zinc/80/53/68/650805368.db2.gz RGFVUMITCZJMNX-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000877597249 650808249 /nfs/dbraw/zinc/80/82/49/650808249.db2.gz FLAYZIFDHHKHJQ-ZDUSSCGKSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](n2ccnn2)C1 ZINC000877597249 650808251 /nfs/dbraw/zinc/80/82/51/650808251.db2.gz FLAYZIFDHHKHJQ-ZDUSSCGKSA-N 0 3 272.352 2.129 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877623114 650819004 /nfs/dbraw/zinc/81/90/04/650819004.db2.gz IVTFPQRRMUHPQD-NUEKZKHPSA-N 0 3 293.407 2.356 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)[C@@]1(O)CCCOC1 ZINC000877636836 650827913 /nfs/dbraw/zinc/82/79/13/650827913.db2.gz BUJWQPWVGZHANG-QGZVFWFLSA-N 0 3 293.407 2.358 20 10 CECDHN CC[C@H]([NH2+]Cc1cnnn1CC)c1ccccc1[O-] ZINC000838913706 644067008 /nfs/dbraw/zinc/06/70/08/644067008.db2.gz WQGBWLIOMOVIMN-ZDUSSCGKSA-N 0 3 260.341 2.245 20 10 CECDHN C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755643 650899288 /nfs/dbraw/zinc/89/92/88/650899288.db2.gz JNEJWZZLYUNATF-UPJWGTAASA-N 0 3 276.380 2.490 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCCO2)c([O-])c1 ZINC000756133690 644609027 /nfs/dbraw/zinc/60/90/27/644609027.db2.gz BHJJISQVTPLHGI-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000756737709 644688304 /nfs/dbraw/zinc/68/83/04/644688304.db2.gz YHBUYEVPZBZECC-IQJOONFLSA-N 0 3 280.343 2.146 20 10 CECDHN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)ccc1[O-] ZINC000756740708 644688461 /nfs/dbraw/zinc/68/84/61/644688461.db2.gz SSJFWUKMVCHBSS-NOZJJQNGSA-N 0 3 253.317 2.343 20 10 CECDHN COC(=O)N1CC([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756757809 644689598 /nfs/dbraw/zinc/68/95/98/644689598.db2.gz DPYHNOBYUDUHCY-LDYMZIIASA-N 0 3 294.326 2.120 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2[O-] ZINC000756769928 644690369 /nfs/dbraw/zinc/69/03/69/644690369.db2.gz RVRHNZKEOVTUJO-ZYHUDNBSSA-N 0 3 264.344 2.375 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccccc1[O-] ZINC000857068528 644808981 /nfs/dbraw/zinc/80/89/81/644808981.db2.gz YASQDKHONMHTNM-TZMCWYRMSA-N 0 3 262.353 2.054 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2ccc[nH]c2=O)c([O-])c1 ZINC000858304415 645111559 /nfs/dbraw/zinc/11/15/59/645111559.db2.gz RKAVLAOFHRFNCU-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c([O-])c1 ZINC000760452382 645159299 /nfs/dbraw/zinc/15/92/99/645159299.db2.gz XUCNQQUWTUIBDK-LBPRGKRZSA-N 0 3 293.285 2.194 20 10 CECDHN Oc1cc2c(cc1CN1CCc3ccccc3C1)[C@H](O)CO2 ZINC000768437754 646122970 /nfs/dbraw/zinc/12/29/70/646122970.db2.gz FXOCUWCPZVTGIE-QGZVFWFLSA-N 0 3 297.354 2.376 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)[C@H](O)CO2 ZINC000768437754 646122973 /nfs/dbraw/zinc/12/29/73/646122973.db2.gz FXOCUWCPZVTGIE-QGZVFWFLSA-N 0 3 297.354 2.376 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCc3ccccc3C1)[C@H](O)CO2 ZINC000768437754 646122977 /nfs/dbraw/zinc/12/29/77/646122977.db2.gz FXOCUWCPZVTGIE-QGZVFWFLSA-N 0 3 297.354 2.376 20 10 CECDHN C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449525 646124900 /nfs/dbraw/zinc/12/49/00/646124900.db2.gz ZYNGKLINLGQFKY-BFVZDQMLSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449525 646124901 /nfs/dbraw/zinc/12/49/01/646124901.db2.gz ZYNGKLINLGQFKY-BFVZDQMLSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449533 646125566 /nfs/dbraw/zinc/12/55/66/646125566.db2.gz ZYNGKLINLGQFKY-RULNRJAQSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449533 646125569 /nfs/dbraw/zinc/12/55/69/646125569.db2.gz ZYNGKLINLGQFKY-RULNRJAQSA-N 0 3 263.337 2.048 20 10 CECDHN C[N@H+](CCOC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463751 646126728 /nfs/dbraw/zinc/12/67/28/646126728.db2.gz WPEPGTJBPQKSGY-AWEZNQCLSA-N 0 3 295.379 2.065 20 10 CECDHN C[N@@H+](CCOC(C)(C)C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768463751 646126733 /nfs/dbraw/zinc/12/67/33/646126733.db2.gz WPEPGTJBPQKSGY-AWEZNQCLSA-N 0 3 295.379 2.065 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465618 646128430 /nfs/dbraw/zinc/12/84/30/646128430.db2.gz JCRAVYHGFYBPGT-FZMZJTMJSA-N 0 3 295.404 2.145 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465618 646128431 /nfs/dbraw/zinc/12/84/31/646128431.db2.gz JCRAVYHGFYBPGT-FZMZJTMJSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccccc1O ZINC000769281466 646235657 /nfs/dbraw/zinc/23/56/57/646235657.db2.gz DJJBKWJCIIGVAH-BETUJISGSA-N 0 3 276.380 2.223 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862428627 646456650 /nfs/dbraw/zinc/45/66/50/646456650.db2.gz SQRVBBFTCKPZGY-CYBMUJFWSA-N 0 3 296.798 2.407 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862428627 646456655 /nfs/dbraw/zinc/45/66/55/646456655.db2.gz SQRVBBFTCKPZGY-CYBMUJFWSA-N 0 3 296.798 2.407 20 10 CECDHN CCN(C)c1ccc(CN2CCSC[C@H]2CO)cc1 ZINC000773810865 646776533 /nfs/dbraw/zinc/77/65/33/646776533.db2.gz CKLRFYZHOLFQBR-OAHLLOKOSA-N 0 3 280.437 2.052 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c([O-])c1 ZINC000775198756 646929610 /nfs/dbraw/zinc/92/96/10/646929610.db2.gz FOTDUFSNJLOHFO-AWEZNQCLSA-N 0 3 267.369 2.288 20 10 CECDHN CC[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1[O-] ZINC000775522150 646962805 /nfs/dbraw/zinc/96/28/05/646962805.db2.gz KNJGDWIIFJQDQZ-AWEZNQCLSA-N 0 3 297.420 2.258 20 10 CECDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000775522021 646963036 /nfs/dbraw/zinc/96/30/36/646963036.db2.gz HMRPHOBZEAUHGV-INWMFGNUSA-N 0 3 278.396 2.152 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1C ZINC000775983109 647013784 /nfs/dbraw/zinc/01/37/84/647013784.db2.gz BCEMKENWEYEHSW-OLZOCXBDSA-N 0 3 279.403 2.416 20 10 CECDHN CN(C)c1cc(F)c(CNCC[C@H](O)C(F)F)cc1F ZINC000865687644 647423036 /nfs/dbraw/zinc/42/30/36/647423036.db2.gz ISUBOZMELZKAHW-LBPRGKRZSA-N 0 3 294.292 2.137 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](C)c2ccnn2C)c1 ZINC000865838995 647485722 /nfs/dbraw/zinc/48/57/22/647485722.db2.gz GAZMAONVWFUCGM-LLVKDONJSA-N 0 3 275.352 2.375 20 10 CECDHN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000783507886 647723087 /nfs/dbraw/zinc/72/30/87/647723087.db2.gz CAIDFDZUUADXNL-QWHCGFSZSA-N 0 3 265.353 2.096 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3[NH2+]CC[C@@H]32)c1[O-] ZINC000866721378 647881864 /nfs/dbraw/zinc/88/18/64/647881864.db2.gz VRLWDTSXWVHHDY-CABCVRRESA-N 0 3 292.354 2.060 20 10 CECDHN CCOc1ccc(C[NH2+]CCOC(F)(F)F)c([O-])c1 ZINC000788968444 648238736 /nfs/dbraw/zinc/23/87/36/648238736.db2.gz WTUACSOATJVHQD-UHFFFAOYSA-N 0 3 279.258 2.417 20 10 CECDHN C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000790477321 648421483 /nfs/dbraw/zinc/42/14/83/648421483.db2.gz JILOWLYIWHWMBC-QMTHXVAHSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000790477321 648421486 /nfs/dbraw/zinc/42/14/86/648421486.db2.gz JILOWLYIWHWMBC-QMTHXVAHSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H](NC(=O)[C@H]1CNCc2ccccc21)c1ccccc1O ZINC000870988279 648971232 /nfs/dbraw/zinc/97/12/32/648971232.db2.gz LEGXVUSLORCYRP-WBMJQRKESA-N 0 3 296.370 2.456 20 10 CECDHN C[C@@H]([NH2+]CCCc1cncn1C)c1ccccc1[O-] ZINC000879649597 651335288 /nfs/dbraw/zinc/33/52/88/651335288.db2.gz XBWNKWZCGWPVLS-GFCCVEGCSA-N 0 3 259.353 2.409 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879651993 651336084 /nfs/dbraw/zinc/33/60/84/651336084.db2.gz SJVNHSIQWOFTHG-STQMWFEESA-N 0 3 276.380 2.444 20 10 CECDHN CC(C)[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653341 651336142 /nfs/dbraw/zinc/33/61/42/651336142.db2.gz OJJGDLXXJCJBLO-RYUDHWBXSA-N 0 3 264.369 2.204 20 10 CECDHN C[C@H]([NH2+]CC(=O)NCc1cccs1)c1ccccc1[O-] ZINC000879653939 651336409 /nfs/dbraw/zinc/33/64/09/651336409.db2.gz YSVCXKSIASWCCS-NSHDSACASA-N 0 3 290.388 2.421 20 10 CECDHN COc1cccc(C[N@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000130008671 652202757 /nfs/dbraw/zinc/20/27/57/652202757.db2.gz HMWWVZCWHQNRGI-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1[O-] ZINC000130008671 652202761 /nfs/dbraw/zinc/20/27/61/652202761.db2.gz HMWWVZCWHQNRGI-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131144815 652386438 /nfs/dbraw/zinc/38/64/38/652386438.db2.gz MCAAHHGIKMRZHN-NEPJUHHUSA-N 0 3 298.814 2.208 20 10 CECDHN C[C@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc[nH]1 ZINC000883290201 652424360 /nfs/dbraw/zinc/42/43/60/652424360.db2.gz NWZCPBSUWYIATI-AWEZNQCLSA-N 0 3 299.422 2.012 20 10 CECDHN C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000131512439 652431908 /nfs/dbraw/zinc/43/19/08/652431908.db2.gz VEINKGLCXFLPLA-JOYOIKCWSA-N 0 3 254.761 2.357 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000883395357 652454155 /nfs/dbraw/zinc/45/41/55/652454155.db2.gz RWIMCRKRFMBPEH-GWCFXTLKSA-N 0 3 292.354 2.193 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CC(C)(C)O)c1[O-] ZINC000133193249 652610971 /nfs/dbraw/zinc/61/09/71/652610971.db2.gz ZAXJBEOJJVFPMK-UHFFFAOYSA-N 0 3 288.185 2.324 20 10 CECDHN N[C@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@H]1F ZINC001204820662 806308866 /nfs/dbraw/zinc/30/88/66/806308866.db2.gz UKIBOYDIPWTCGN-CVEARBPZSA-N 0 3 277.387 2.158 20 10 CECDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1c([O-])cccc1Cl ZINC001209873903 802583226 /nfs/dbraw/zinc/58/32/26/802583226.db2.gz GZTJQYAXYMROGL-AOOOYVTPSA-N 0 3 254.761 2.228 20 10 CECDHN C[C@@H]1CCN(Cc2c([O-])cccc2Br)C[C@@H]1[NH3+] ZINC000706861328 802847121 /nfs/dbraw/zinc/84/71/21/802847121.db2.gz JFUIFWKZONXGBE-SKDRFNHKSA-N 0 3 299.212 2.324 20 10 CECDHN CC[C@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccccc1[O-] ZINC000724874435 803328937 /nfs/dbraw/zinc/32/89/37/803328937.db2.gz VSUWSLYTUGFRPD-GZBFAFLISA-N 0 3 265.353 2.237 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@]2(C)OC)c1[O-] ZINC000694427341 803552748 /nfs/dbraw/zinc/55/27/48/803552748.db2.gz DLGOUOQIUACQQI-YPMHNXCESA-N 0 3 271.744 2.321 20 10 CECDHN C[C@@H]([NH2+]CCC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000692808911 803927313 /nfs/dbraw/zinc/92/73/13/803927313.db2.gz UAHAHJLBLFRKQR-GFCCVEGCSA-N 0 3 297.420 2.258 20 10 CECDHN COc1ccc(C[NH+]2CCC(n3ccnc3)CC2)c([O-])c1 ZINC000092659276 804654898 /nfs/dbraw/zinc/65/48/98/804654898.db2.gz BPWNIRFHHZMXEC-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C2(CO)CC2)c1[O-] ZINC000696078175 807136332 /nfs/dbraw/zinc/13/63/32/807136332.db2.gz DVAWCAGGGILQAL-SECBINFHSA-N 0 3 285.771 2.305 20 10 CECDHN Cc1cc(C)c(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC001231847914 807194200 /nfs/dbraw/zinc/19/42/00/807194200.db2.gz FSVDFFSMFRLNRZ-UHFFFAOYSA-N 0 3 277.364 2.348 20 10 CECDHN C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001122257890 815397422 /nfs/dbraw/zinc/39/74/22/815397422.db2.gz FDOZRCXZWCDYET-ABAIWWIYSA-N 0 3 280.343 2.055 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000384541761 812429732 /nfs/dbraw/zinc/42/97/32/812429732.db2.gz FAFGOTCUDYTRMO-GBIKHYSHSA-N 0 3 251.326 2.056 20 10 CECDHN CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172924079 815546933 /nfs/dbraw/zinc/54/69/33/815546933.db2.gz REIQKYWBIPHPQS-VXGBXAGGSA-N 0 3 251.326 2.145 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000389071618 813247205 /nfs/dbraw/zinc/24/72/05/813247205.db2.gz MINGBMOHPYURNX-DGCLKSJQSA-N 0 3 265.353 2.306 20 10 CECDHN O=C1CCN(Cc2c(O)cc(O)cc2O)[C@H]2CCCC[C@@H]12 ZINC001144500074 814089239 /nfs/dbraw/zinc/08/92/39/814089239.db2.gz OHLGQFLFEUXYAB-YPMHNXCESA-N 0 3 291.347 2.137 20 10 CECDHN CN1CCCc2cc(CN3CC[C@@]34CCOC4)ccc21 ZINC001138358985 815775230 /nfs/dbraw/zinc/77/52/30/815775230.db2.gz GFIREDUIGOUUEW-KRWDZBQOSA-N 0 3 272.392 2.434 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](O)(CF)CC1 ZINC001140058448 816180925 /nfs/dbraw/zinc/18/09/25/816180925.db2.gz ZUXLTNMCBXTDCB-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001140058448 816180928 /nfs/dbraw/zinc/18/09/28/816180928.db2.gz ZUXLTNMCBXTDCB-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN OC[C@H]1CN(Cc2cc(F)ccc2O)C[C@@H]1C(F)(F)F ZINC001140058235 816181628 /nfs/dbraw/zinc/18/16/28/816181628.db2.gz WBAKXSLTXPFPEH-KOLCDFICSA-N 0 3 293.260 2.134 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H]2CO)c(Cl)c1 ZINC001140921454 816411057 /nfs/dbraw/zinc/41/10/57/816411057.db2.gz DLUYXNSAINBBOD-ZDUSSCGKSA-N 0 3 268.788 2.363 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001140950347 816422712 /nfs/dbraw/zinc/42/27/12/816422712.db2.gz ZAETYQAYOXBMOL-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001140950347 816422713 /nfs/dbraw/zinc/42/27/13/816422713.db2.gz ZAETYQAYOXBMOL-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN CO[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141138909 816483379 /nfs/dbraw/zinc/48/33/79/816483379.db2.gz CVRMKDBHLJEMBY-AWEZNQCLSA-N 0 3 276.380 2.126 20 10 CECDHN CC(C)(C)OC(=O)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141159460 816490394 /nfs/dbraw/zinc/49/03/94/816490394.db2.gz GUNNPLPLCJECDW-NSHDSACASA-N 0 3 293.363 2.261 20 10 CECDHN CN1CCN(Cc2cccc(C(C)(C)C)c2O)CCC1=O ZINC001143110949 816787547 /nfs/dbraw/zinc/78/75/47/816787547.db2.gz UBLKWRFJVPXYTG-UHFFFAOYSA-N 0 3 290.407 2.354 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC23CCOCC3)c1 ZINC000368475354 344816649 /nfs/dbraw/zinc/81/66/49/344816649.db2.gz RWAOOZKPRBGRAM-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC23CCOCC3)c1 ZINC000368475354 344816650 /nfs/dbraw/zinc/81/66/50/344816650.db2.gz RWAOOZKPRBGRAM-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN CN(C)Cc1ccccc1CNC(=O)Cc1ccc(N)cc1 ZINC000237038883 370681852 /nfs/dbraw/zinc/68/18/52/370681852.db2.gz DLHBBKWVWOGTTP-UHFFFAOYSA-N 0 3 297.402 2.189 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000091795540 364072632 /nfs/dbraw/zinc/07/26/32/364072632.db2.gz ZJSJZDBTZYRDPJ-UHFFFAOYSA-N 0 3 286.379 2.209 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092734324 364102886 /nfs/dbraw/zinc/10/28/86/364102886.db2.gz DHPSPWJHKQEEEW-CQSZACIVSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092734324 364102888 /nfs/dbraw/zinc/10/28/88/364102888.db2.gz DHPSPWJHKQEEEW-CQSZACIVSA-N 0 3 290.407 2.439 20 10 CECDHN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168826052 367361508 /nfs/dbraw/zinc/36/15/08/367361508.db2.gz CGESFSRWTWESEG-GHMZBOCLSA-N 0 3 253.342 2.212 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCCC(=O)N(C)C)cc1 ZINC000178293085 368295936 /nfs/dbraw/zinc/29/59/36/368295936.db2.gz JQVBVBZUKRTLKB-CYBMUJFWSA-N 0 3 277.412 2.272 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180567364 368386099 /nfs/dbraw/zinc/38/60/99/368386099.db2.gz HIWAFVUKBFARNF-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180567364 368386103 /nfs/dbraw/zinc/38/61/03/368386103.db2.gz HIWAFVUKBFARNF-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000184568990 368703971 /nfs/dbraw/zinc/70/39/71/368703971.db2.gz LMUCOYQKLYPMFG-NXEZZACHSA-N 0 3 269.316 2.209 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000186791617 369044668 /nfs/dbraw/zinc/04/46/68/369044668.db2.gz ONYUDSCKYKSCNW-GAJTVXKRSA-N 0 3 253.317 2.485 20 10 CECDHN Cc1cccc(C[NH2+]CCCCCS(C)(=O)=O)c1[O-] ZINC000187693809 369204301 /nfs/dbraw/zinc/20/43/01/369204301.db2.gz FLSQACOMUJLXHA-UHFFFAOYSA-N 0 3 285.409 2.005 20 10 CECDHN CO[C@@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107016 369297411 /nfs/dbraw/zinc/29/74/11/369297411.db2.gz MTIOLXGPGOMBSG-STQMWFEESA-N 0 3 296.386 2.348 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)OC)c1[O-] ZINC000191202747 369690547 /nfs/dbraw/zinc/69/05/47/369690547.db2.gz AYDNESNGAVHYBV-MRVPVSSYSA-N 0 3 259.733 2.179 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCC[C@H](C)O)c1[O-] ZINC000228091075 370396966 /nfs/dbraw/zinc/39/69/66/370396966.db2.gz JMVFAHZRTRRWIM-VIFPVBQESA-N 0 3 273.760 2.305 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H](OC)C(C)C)cc1OC ZINC000271826405 373203179 /nfs/dbraw/zinc/20/31/79/373203179.db2.gz NWDXABYHVQLMSC-HNNXBMFYSA-N 0 3 283.368 2.170 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271872497 373204402 /nfs/dbraw/zinc/20/44/02/373204402.db2.gz NBDFVFCPWLSLBM-HNNXBMFYSA-N 0 3 283.368 2.050 20 10 CECDHN CCNC(=O)[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392031 373755907 /nfs/dbraw/zinc/75/59/07/373755907.db2.gz LBFPGJGANNTBTL-RYUDHWBXSA-N 0 3 290.407 2.446 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)C(C)(C)C)c1 ZINC000273591003 373766247 /nfs/dbraw/zinc/76/62/47/373766247.db2.gz PCVXIRXDQLJHAF-NSHDSACASA-N 0 3 294.395 2.214 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccccc1[O-] ZINC000371684850 373947541 /nfs/dbraw/zinc/94/75/41/373947541.db2.gz HWDKZKIOBPISDL-PWSUYJOCSA-N 0 3 257.337 2.323 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000374674045 374626297 /nfs/dbraw/zinc/62/62/97/374626297.db2.gz AHRYVVHMKYSFJA-CJNGLKHVSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000374674045 374626313 /nfs/dbraw/zinc/62/63/13/374626313.db2.gz AHRYVVHMKYSFJA-CJNGLKHVSA-N 0 3 275.348 2.167 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000375301230 374651406 /nfs/dbraw/zinc/65/14/06/374651406.db2.gz FQLAXIANTVNBKJ-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000375301230 374651410 /nfs/dbraw/zinc/65/14/10/374651410.db2.gz FQLAXIANTVNBKJ-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN CCCC[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000282443845 375486121 /nfs/dbraw/zinc/48/61/21/375486121.db2.gz LCZKARVWIHDBQY-UHFFFAOYSA-N 0 3 267.369 2.003 20 10 CECDHN CCCC[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000282443845 375486126 /nfs/dbraw/zinc/48/61/26/375486126.db2.gz LCZKARVWIHDBQY-UHFFFAOYSA-N 0 3 267.369 2.003 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1 ZINC000285197959 375836748 /nfs/dbraw/zinc/83/67/48/375836748.db2.gz NZURBGWXEHWLNB-LBPRGKRZSA-N 0 3 276.380 2.186 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1C ZINC000287413030 376226555 /nfs/dbraw/zinc/22/65/55/376226555.db2.gz RQTHNUNTEZSOIY-CYBMUJFWSA-N 0 3 281.396 2.447 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1OC ZINC000289247361 376390557 /nfs/dbraw/zinc/39/05/57/376390557.db2.gz AUMXLIYHNJAQAP-CHWSQXEVSA-N 0 3 295.379 2.193 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H](C)COC)c1 ZINC000179372462 261781421 /nfs/dbraw/zinc/78/14/21/261781421.db2.gz AHZIKVBTJMJJEE-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H](C)COC)c1 ZINC000179372462 261781424 /nfs/dbraw/zinc/78/14/24/261781424.db2.gz AHZIKVBTJMJJEE-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CC(C)[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000294147458 377918878 /nfs/dbraw/zinc/91/88/78/377918878.db2.gz VFXFLUUFLPTUMO-INIZCTEOSA-N 0 3 293.363 2.368 20 10 CECDHN CC(C)[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000294147458 377918884 /nfs/dbraw/zinc/91/88/84/377918884.db2.gz VFXFLUUFLPTUMO-INIZCTEOSA-N 0 3 293.363 2.368 20 10 CECDHN CC(C)[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000294147458 377918888 /nfs/dbraw/zinc/91/88/88/377918888.db2.gz VFXFLUUFLPTUMO-INIZCTEOSA-N 0 3 293.363 2.368 20 10 CECDHN Cc1cccnc1CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294720638 378015585 /nfs/dbraw/zinc/01/55/85/378015585.db2.gz CLKMDYAZLCSRGI-UHFFFAOYSA-N 0 3 286.331 2.157 20 10 CECDHN O=C1NCCC[C@@H]1[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000295030188 378035234 /nfs/dbraw/zinc/03/52/34/378035234.db2.gz LNILTQNNGSIXKH-INIZCTEOSA-N 0 3 296.370 2.427 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295057305 378037460 /nfs/dbraw/zinc/03/74/60/378037460.db2.gz NZELKLBJIGYBBC-NSHDSACASA-N 0 3 267.369 2.430 20 10 CECDHN CC[C@@H](CO)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000295137028 378044872 /nfs/dbraw/zinc/04/48/72/378044872.db2.gz PHDKBPUSRPAZCP-NSHDSACASA-N 0 3 273.760 2.257 20 10 CECDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000295137028 378044876 /nfs/dbraw/zinc/04/48/76/378044876.db2.gz PHDKBPUSRPAZCP-NSHDSACASA-N 0 3 273.760 2.257 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000294834360 378022459 /nfs/dbraw/zinc/02/24/59/378022459.db2.gz QGBXUTKTSLKUTF-ZDUSSCGKSA-N 0 3 265.353 2.448 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)NC1CC1 ZINC000295336817 378110448 /nfs/dbraw/zinc/11/04/48/378110448.db2.gz ZWAPJEGEPDTEQF-GFCCVEGCSA-N 0 3 276.380 2.271 20 10 CECDHN CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297962707 378691332 /nfs/dbraw/zinc/69/13/32/378691332.db2.gz UOGLDJWLQGHMLL-UHFFFAOYSA-N 0 3 289.423 2.242 20 10 CECDHN CCCNC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000298399781 378716639 /nfs/dbraw/zinc/71/66/39/378716639.db2.gz HFABBPMQCPPPBU-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCCNC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000298399781 378716642 /nfs/dbraw/zinc/71/66/42/378716642.db2.gz HFABBPMQCPPPBU-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCn1nncc1CNCc1cc(Cl)cc(C)c1O ZINC000529640575 380181358 /nfs/dbraw/zinc/18/13/58/380181358.db2.gz VKVXUUQOUFMULN-UHFFFAOYSA-N 0 3 280.759 2.255 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185467701 262304855 /nfs/dbraw/zinc/30/48/55/262304855.db2.gz QNZIWECOGNTLQQ-DOMZBBRYSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000271015698 522637126 /nfs/dbraw/zinc/63/71/26/522637126.db2.gz TVQPGSWEULOLKB-CMPLNLGQSA-N 0 3 277.286 2.492 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCN(C)C)c1 ZINC000273363267 292014247 /nfs/dbraw/zinc/01/42/47/292014247.db2.gz AUFQVJNPHHBURH-NEPJUHHUSA-N 0 3 294.395 2.170 20 10 CECDHN CC(C)OCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000228565129 394475737 /nfs/dbraw/zinc/47/57/37/394475737.db2.gz ZLPARBKJIKEAKR-UHFFFAOYSA-N 0 3 281.352 2.416 20 10 CECDHN CCOc1cccc(C[NH2+]CC2(N(C)C)CCC2)c1[O-] ZINC000097929428 394700450 /nfs/dbraw/zinc/70/04/50/394700450.db2.gz YDIWNQVEGKGNQO-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN COCCn1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000281913001 394874193 /nfs/dbraw/zinc/87/41/93/394874193.db2.gz ACYQZNGRUKBCOG-LBPRGKRZSA-N 0 3 275.352 2.086 20 10 CECDHN COc1cccc(C[NH2+]C2CCSCC2)c1[O-] ZINC000134413873 394956914 /nfs/dbraw/zinc/95/69/14/394956914.db2.gz RCWHYLPYGVMYOH-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc2c1OCO2 ZINC000134237214 394957266 /nfs/dbraw/zinc/95/72/66/394957266.db2.gz FBKMXODPEDKFEH-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN Cc1nc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000373128920 395055372 /nfs/dbraw/zinc/05/53/72/395055372.db2.gz WYBPPGMNPADYES-ZDUSSCGKSA-N 0 3 273.336 2.463 20 10 CECDHN Cc1nc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000373128920 395055373 /nfs/dbraw/zinc/05/53/73/395055373.db2.gz WYBPPGMNPADYES-ZDUSSCGKSA-N 0 3 273.336 2.463 20 10 CECDHN CCC[N@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000174372843 395124081 /nfs/dbraw/zinc/12/40/81/395124081.db2.gz OQRUDZQCUMQRIR-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN CCC[N@@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000174372843 395124083 /nfs/dbraw/zinc/12/40/83/395124083.db2.gz OQRUDZQCUMQRIR-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293517621 395237427 /nfs/dbraw/zinc/23/74/27/395237427.db2.gz AQOCQVANKSYRGZ-AWEZNQCLSA-N 0 3 277.364 2.280 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](O)C23CCCC3)c1[O-] ZINC000293517621 395237430 /nfs/dbraw/zinc/23/74/30/395237430.db2.gz AQOCQVANKSYRGZ-AWEZNQCLSA-N 0 3 277.364 2.280 20 10 CECDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179556245 395195415 /nfs/dbraw/zinc/19/54/15/395195415.db2.gz NATMZWNRCPWXFK-CYBMUJFWSA-N 0 3 292.379 2.491 20 10 CECDHN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179556245 395195418 /nfs/dbraw/zinc/19/54/18/395195418.db2.gz NATMZWNRCPWXFK-CYBMUJFWSA-N 0 3 292.379 2.491 20 10 CECDHN Oc1ccccc1CN(Cc1cnc[nH]1)C[C@H]1CCCO1 ZINC000179570339 395196693 /nfs/dbraw/zinc/19/66/93/395196693.db2.gz WTVXHOAUWAKRDR-OAHLLOKOSA-N 0 3 287.363 2.297 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000179570897 395197175 /nfs/dbraw/zinc/19/71/75/395197175.db2.gz PWFIUDSCKGHHHW-AWEZNQCLSA-N 0 3 298.390 2.310 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000179570897 395197180 /nfs/dbraw/zinc/19/71/80/395197180.db2.gz PWFIUDSCKGHHHW-AWEZNQCLSA-N 0 3 298.390 2.310 20 10 CECDHN CC(C)(C)N1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000296275268 395315562 /nfs/dbraw/zinc/31/55/62/395315562.db2.gz CARHCBOTSOTCSF-CHWSQXEVSA-N 0 3 288.391 2.369 20 10 CECDHN COCCN1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183448858 395256162 /nfs/dbraw/zinc/25/61/62/395256162.db2.gz VBKKIGXBIHAZTI-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN CN(C)[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCSC1 ZINC000297507168 395343933 /nfs/dbraw/zinc/34/39/33/395343933.db2.gz CIXRNGJQIVTLAC-BBRMVZONSA-N 0 3 292.448 2.406 20 10 CECDHN CCN(CC)c1ccc(CN[C@@](C)(CCO)COC)cc1 ZINC000175855122 400288725 /nfs/dbraw/zinc/28/87/25/400288725.db2.gz ZOTGGUFHGCKUKK-KRWDZBQOSA-N 0 3 294.439 2.410 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000020208959 171073488 /nfs/dbraw/zinc/07/34/88/171073488.db2.gz ASOCTUIMADJRAU-YGRLFVJLSA-N 0 3 251.326 2.058 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC1(O)CCCCCC1)OCO2 ZINC000079619354 260176326 /nfs/dbraw/zinc/17/63/26/260176326.db2.gz VFDVCOUBSFTDDM-UHFFFAOYSA-N 0 3 293.363 2.296 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([NH+](C)C)C2)c1[O-] ZINC000091393744 260265978 /nfs/dbraw/zinc/26/59/78/260265978.db2.gz UTPRFSNSCVJAAN-AWEZNQCLSA-N 0 3 294.370 2.260 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128267673 260373270 /nfs/dbraw/zinc/37/32/70/260373270.db2.gz YSWJFDPQFQHZAC-CHWSQXEVSA-N 0 3 265.353 2.040 20 10 CECDHN CC[C@@H](O)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169092310 261429075 /nfs/dbraw/zinc/42/90/75/261429075.db2.gz AOEINUMSINOTQG-LLVKDONJSA-N 0 3 273.760 2.305 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000180188251 261845149 /nfs/dbraw/zinc/84/51/49/261845149.db2.gz VELZQZICLDWULU-CYBMUJFWSA-N 0 3 278.371 2.449 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1 ZINC000185333966 262050939 /nfs/dbraw/zinc/05/09/39/262050939.db2.gz SGNCDYRIPROOTM-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638524 262063398 /nfs/dbraw/zinc/06/33/98/262063398.db2.gz WDXJKCBEJXTYDL-RISCZKNCSA-N 0 3 267.394 2.219 20 10 CECDHN C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000186178141 262083572 /nfs/dbraw/zinc/08/35/72/262083572.db2.gz HLFHLRHZPOLXED-YVEFUNNKSA-N 0 3 291.391 2.073 20 10 CECDHN C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000186178158 262083774 /nfs/dbraw/zinc/08/37/74/262083774.db2.gz HLFHLRHZPOLXED-SJKOYZFVSA-N 0 3 291.391 2.073 20 10 CECDHN Cc1ncc(/C=C/C(=O)N2C[C@H](N)Cc3ccccc32)s1 ZINC000493334433 262148857 /nfs/dbraw/zinc/14/88/57/262148857.db2.gz KDCJLSCODHZXKZ-KTRBRXNASA-N 0 3 299.399 2.381 20 10 CECDHN COc1ccc(O)c([C@H](C)N2CCCOCC2)c1 ZINC000365003474 262267480 /nfs/dbraw/zinc/26/74/80/262267480.db2.gz ZGGMCCIGTCUIFQ-NSHDSACASA-N 0 3 251.326 2.184 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000219886742 262351094 /nfs/dbraw/zinc/35/10/94/262351094.db2.gz SMISRQXKBQMJBK-PWSUYJOCSA-N 0 3 251.326 2.058 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@@H]2COC)c1 ZINC000293738921 263148527 /nfs/dbraw/zinc/14/85/27/263148527.db2.gz VODJXMVIOXLBJL-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCCCCC1 ZINC000226583853 263198181 /nfs/dbraw/zinc/19/81/81/263198181.db2.gz WPONOKGZBABQNF-UHFFFAOYSA-N 0 3 266.360 2.497 20 10 CECDHN CCOc1cccc(CN2CCOCC[C@@H]2C)c1O ZINC000367708601 267111832 /nfs/dbraw/zinc/11/18/32/267111832.db2.gz QUJDVLRNEKQPLE-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794274 267206455 /nfs/dbraw/zinc/20/64/55/267206455.db2.gz ASZNHWVCSUBYRE-BZNIZROVSA-N 0 3 293.363 2.347 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+]([C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794274 267206457 /nfs/dbraw/zinc/20/64/57/267206457.db2.gz ASZNHWVCSUBYRE-BZNIZROVSA-N 0 3 293.363 2.347 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000369397467 267240466 /nfs/dbraw/zinc/24/04/66/267240466.db2.gz GZOIPBXZJAFVNR-HNNXBMFYSA-N 0 3 294.782 2.066 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)c1[O-] ZINC000369397467 267240469 /nfs/dbraw/zinc/24/04/69/267240469.db2.gz GZOIPBXZJAFVNR-HNNXBMFYSA-N 0 3 294.782 2.066 20 10 CECDHN COC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCCO1 ZINC000296591191 277600819 /nfs/dbraw/zinc/60/08/19/277600819.db2.gz WVTQBFHEPPNXDO-YDHLFZDLSA-N 0 3 277.364 2.163 20 10 CECDHN CC[C@H](C(=O)NCc1cccc(OC)c1O)N(CC)CC ZINC000269173312 280681764 /nfs/dbraw/zinc/68/17/64/280681764.db2.gz IUJQPHLDZBEKJM-CYBMUJFWSA-N 0 3 294.395 2.137 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c([O-])c1C ZINC000527959831 313220973 /nfs/dbraw/zinc/22/09/73/313220973.db2.gz ZIILHJPCHHQMQN-AEGPPILISA-N 0 3 279.380 2.200 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000185376261 327839263 /nfs/dbraw/zinc/83/92/63/327839263.db2.gz SJIQATRQJDQFLV-QLFBSQMISA-N 0 3 292.423 2.460 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000185376218 327839290 /nfs/dbraw/zinc/83/92/90/327839290.db2.gz SJIQATRQJDQFLV-SOUVJXGZSA-N 0 3 292.423 2.460 20 10 CECDHN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000185705595 327842923 /nfs/dbraw/zinc/84/29/23/327842923.db2.gz QWDDTBJWKLMDEW-DGCLKSJQSA-N 0 3 283.343 2.378 20 10 CECDHN C[C@@H](NCc1cncn1C)c1ccc(N(C)C)cc1 ZINC000274725913 328005988 /nfs/dbraw/zinc/00/59/88/328005988.db2.gz ACXLSRREFXMWSB-GFCCVEGCSA-N 0 3 258.369 2.337 20 10 CECDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000270973777 328194258 /nfs/dbraw/zinc/19/42/58/328194258.db2.gz KHRBLDQIFGBKJI-ONGXEEELSA-N 0 3 263.259 2.184 20 10 CECDHN COc1ccc(O)c(CN[C@@H]2CCCc3c[nH]nc32)c1 ZINC000271805909 328197374 /nfs/dbraw/zinc/19/73/74/328197374.db2.gz JXBJUYZSJRVZFY-CYBMUJFWSA-N 0 3 273.336 2.291 20 10 CECDHN COc1cccc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273090083 328204059 /nfs/dbraw/zinc/20/40/59/328204059.db2.gz KUWKAAOCLHJROT-HZPDHXFCSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](n3cncn3)C2)c1[O-] ZINC000377283296 329009942 /nfs/dbraw/zinc/00/99/42/329009942.db2.gz OKBUAUDGAZUHKK-ZDUSSCGKSA-N 0 3 292.770 2.393 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](n3cncn3)C2)c1[O-] ZINC000377283296 329009943 /nfs/dbraw/zinc/00/99/43/329009943.db2.gz OKBUAUDGAZUHKK-ZDUSSCGKSA-N 0 3 292.770 2.393 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378457135 329051389 /nfs/dbraw/zinc/05/13/89/329051389.db2.gz PXXGYKFDAJKYHL-ZDUSSCGKSA-N 0 3 257.337 2.071 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccccc3O)[C@@H]2C1 ZINC000179587357 329210104 /nfs/dbraw/zinc/21/01/04/329210104.db2.gz UQUXZCHFSJBNDS-FMKPAKJESA-N 0 3 277.364 2.161 20 10 CECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527805203 330284337 /nfs/dbraw/zinc/28/43/37/330284337.db2.gz URIIXPUBTOFKPQ-VGAUDOQQSA-N 0 3 279.336 2.022 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000230315842 333316290 /nfs/dbraw/zinc/31/62/90/333316290.db2.gz MCWWLFMFOZJNAV-DOMZBBRYSA-N 0 3 263.337 2.058 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134135446 334081531 /nfs/dbraw/zinc/08/15/31/334081531.db2.gz QIBWTWMWYHNSLH-GOEBONIOSA-N 0 3 290.407 2.250 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134135446 334081533 /nfs/dbraw/zinc/08/15/33/334081533.db2.gz QIBWTWMWYHNSLH-GOEBONIOSA-N 0 3 290.407 2.250 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000134227664 334084882 /nfs/dbraw/zinc/08/48/82/334084882.db2.gz FJQLWOMGRIGMQI-CQSZACIVSA-N 0 3 291.322 2.061 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC ZINC000076074345 521689991 /nfs/dbraw/zinc/68/99/91/521689991.db2.gz TXXHTBMHLSSVMC-CQSZACIVSA-N 0 3 267.369 2.002 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC ZINC000076074345 521689994 /nfs/dbraw/zinc/68/99/94/521689994.db2.gz TXXHTBMHLSSVMC-CQSZACIVSA-N 0 3 267.369 2.002 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617747 522153484 /nfs/dbraw/zinc/15/34/84/522153484.db2.gz AAVGUNQUIHHKLH-GHMZBOCLSA-N 0 3 282.359 2.487 20 10 CECDHN CCCNC(=O)CN(CCC)Cc1ccccc1O ZINC000069009950 519875782 /nfs/dbraw/zinc/87/57/82/519875782.db2.gz DSLJPNZXGFHHDW-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCCC[N@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289525328 520509176 /nfs/dbraw/zinc/50/91/76/520509176.db2.gz VVNNXSZZSKYRKT-UHFFFAOYSA-N 0 3 291.395 2.020 20 10 CECDHN CCCC[N@@H+](CCN1CCNC1=O)Cc1ccccc1[O-] ZINC000289525328 520509188 /nfs/dbraw/zinc/50/91/88/520509188.db2.gz VVNNXSZZSKYRKT-UHFFFAOYSA-N 0 3 291.395 2.020 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000278589019 521652582 /nfs/dbraw/zinc/65/25/82/521652582.db2.gz YUGWFFDRBDESDV-FUJMWEONSA-N 0 3 279.380 2.281 20 10 CECDHN CN(C)c1ccc(CNCC2=CCCOC2)cc1F ZINC000126878817 522205875 /nfs/dbraw/zinc/20/58/75/522205875.db2.gz NFTJOEIRYSNIOE-UHFFFAOYSA-N 0 3 264.344 2.328 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000160390239 522777309 /nfs/dbraw/zinc/77/73/09/522777309.db2.gz RBVIEGTZCSCYMY-INIZCTEOSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)cc1OC ZINC000160390239 522777321 /nfs/dbraw/zinc/77/73/21/522777321.db2.gz RBVIEGTZCSCYMY-INIZCTEOSA-N 0 3 293.363 2.022 20 10 CECDHN Cc1cccc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277769184 524430268 /nfs/dbraw/zinc/43/02/68/524430268.db2.gz WBAPVRNZXULKDU-UHFFFAOYSA-N 0 3 298.390 2.249 20 10 CECDHN C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000293387637 524500766 /nfs/dbraw/zinc/50/07/66/524500766.db2.gz ISPHMYNNJISUTK-GHMZBOCLSA-N 0 3 254.349 2.380 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279736166 524741976 /nfs/dbraw/zinc/74/19/76/524741976.db2.gz WRIXKMCQKOKRSV-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279736166 524741982 /nfs/dbraw/zinc/74/19/82/524741982.db2.gz WRIXKMCQKOKRSV-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279776597 524755162 /nfs/dbraw/zinc/75/51/62/524755162.db2.gz KWKAULWPTHTHKZ-ZDUSSCGKSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294943704 524755262 /nfs/dbraw/zinc/75/52/62/524755262.db2.gz YCCAOWNEHBUSRQ-ZDUSSCGKSA-N 0 3 251.326 2.058 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000230659310 525378319 /nfs/dbraw/zinc/37/83/19/525378319.db2.gz IOPOSMAQGAYLOE-QUBYGPBYSA-N 0 3 267.222 2.105 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000094616810 525413938 /nfs/dbraw/zinc/41/39/38/525413938.db2.gz BADDUXIZSVINCI-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN C[C@@H]1OCC[C@]12C[N@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570364 525605131 /nfs/dbraw/zinc/60/51/31/525605131.db2.gz VSUIHONQSOKDCM-WWGRRREGSA-N 0 3 277.364 2.161 20 10 CECDHN C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570364 525605139 /nfs/dbraw/zinc/60/51/39/525605139.db2.gz VSUIHONQSOKDCM-WWGRRREGSA-N 0 3 277.364 2.161 20 10 CECDHN Cc1nnc(CC[NH2+]Cc2cc(F)ccc2[O-])s1 ZINC000291554172 526329769 /nfs/dbraw/zinc/32/97/69/526329769.db2.gz MMXRZZXTBFTKLL-UHFFFAOYSA-N 0 3 267.329 2.024 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccccc1)OCO2 ZINC000042879218 526336692 /nfs/dbraw/zinc/33/66/92/526336692.db2.gz ZLJFXJWYCWTNIL-UHFFFAOYSA-N 0 3 271.316 2.453 20 10 CECDHN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368220346 526366084 /nfs/dbraw/zinc/36/60/84/526366084.db2.gz FLPPKHIVEULOIV-SECBINFHSA-N 0 3 277.755 2.416 20 10 CECDHN [O-]c1cccc(Cl)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368220346 526366087 /nfs/dbraw/zinc/36/60/87/526366087.db2.gz FLPPKHIVEULOIV-SECBINFHSA-N 0 3 277.755 2.416 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000263727054 527579459 /nfs/dbraw/zinc/57/94/59/527579459.db2.gz XMXCBTHVAAWTDX-CQSZACIVSA-N 0 3 289.350 2.472 20 10 CECDHN COc1cc(CN(C)Cc2ccccc2O)ccn1 ZINC000762925151 574580149 /nfs/dbraw/zinc/58/01/49/574580149.db2.gz CQJLDLSCFSXZCU-UHFFFAOYSA-N 0 3 258.321 2.428 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](OC)C(F)(F)F)c([O-])c1 ZINC000733329945 574664956 /nfs/dbraw/zinc/66/49/56/574664956.db2.gz MEDUWXRUXGRJGE-GFCCVEGCSA-N 0 3 293.285 2.458 20 10 CECDHN [O-]c1ccc2ccncc2c1C[NH+]1CCN(C2CC2)CC1 ZINC000749675736 575229203 /nfs/dbraw/zinc/22/92/03/575229203.db2.gz JGTXFSDXQIUFKZ-UHFFFAOYSA-N 0 3 283.375 2.220 20 10 CECDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)C[NH2+]1 ZINC000235342334 625328320 /nfs/dbraw/zinc/32/83/20/625328320.db2.gz UPOAQIGUTSYDOS-ZJUUUORDSA-N 0 3 299.212 2.337 20 10 CECDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(C)F)N(C)C)cc1 ZINC000891249559 623326294 /nfs/dbraw/zinc/32/62/94/623326294.db2.gz UQYKIQHVIADVHY-AWEZNQCLSA-N 0 3 295.402 2.220 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000323671999 634469356 /nfs/dbraw/zinc/46/93/56/634469356.db2.gz MRAPXKHQNVPINI-GHMZBOCLSA-N 0 3 271.744 2.057 20 10 CECDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CCN1C1CCCC1 ZINC000820877930 634558909 /nfs/dbraw/zinc/55/89/09/634558909.db2.gz FFMAVLJNVISXPY-HNNXBMFYSA-N 0 3 288.391 2.368 20 10 CECDHN CCOc1ccc(O)c(CN2CCOCC3(CC3)C2)c1 ZINC000783598871 627687026 /nfs/dbraw/zinc/68/70/26/627687026.db2.gz CLNNEKCOJNWLAE-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCNC(=O)C(C)(C)NCc1ccc(OC)c(C)c1 ZINC000312874599 628548510 /nfs/dbraw/zinc/54/85/10/628548510.db2.gz FOWBBVODKZSWJS-UHFFFAOYSA-N 0 3 264.369 2.008 20 10 CECDHN C[C@H]([NH2+]CCc1cn(C)cn1)c1cc(F)ccc1[O-] ZINC000313251094 628585215 /nfs/dbraw/zinc/58/52/15/628585215.db2.gz HZMACTUTAASJFA-JTQLQIEISA-N 0 3 263.316 2.158 20 10 CECDHN C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1[O-] ZINC000902449411 634672389 /nfs/dbraw/zinc/67/23/89/634672389.db2.gz OCKSYPBVVWOCHX-NOZJJQNGSA-N 0 3 252.333 2.180 20 10 CECDHN C[NH2+]C[C@@H]1CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000219940164 628818929 /nfs/dbraw/zinc/81/89/29/628818929.db2.gz DSBJMJUPQOJOOU-JTQLQIEISA-N 0 3 299.212 2.196 20 10 CECDHN COc1cc(C)cc(CN[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000894205296 629209295 /nfs/dbraw/zinc/20/92/95/629209295.db2.gz WPSSDBSWIDZPGL-NSHDSACASA-N 0 3 294.395 2.102 20 10 CECDHN COc1cc(C)cc(CN[C@@H]2c3ccccc3C[C@H]2O)c1O ZINC000894340527 629370743 /nfs/dbraw/zinc/37/07/43/629370743.db2.gz PKOAKGHWNCTJPP-NVXWUHKLSA-N 0 3 299.370 2.457 20 10 CECDHN COc1cc(C)cc(CNCc2cnn(C)c2C)c1O ZINC000894369742 629399631 /nfs/dbraw/zinc/39/96/31/629399631.db2.gz CDGADHMLKIYCSB-UHFFFAOYSA-N 0 3 275.352 2.041 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785427 630343978 /nfs/dbraw/zinc/34/39/78/630343978.db2.gz QJMZHMLGYULMBX-ZIAGYGMSSA-N 0 3 293.338 2.342 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785427 630343987 /nfs/dbraw/zinc/34/39/87/630343987.db2.gz QJMZHMLGYULMBX-ZIAGYGMSSA-N 0 3 293.338 2.342 20 10 CECDHN CC(C)[NH+]1CCC(C(=O)NCc2c([O-])cccc2F)CC1 ZINC000928705100 631127651 /nfs/dbraw/zinc/12/76/51/631127651.db2.gz DXABWJUIJPQRAH-UHFFFAOYSA-N 0 3 294.370 2.268 20 10 CECDHN COCCO[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000802653571 631440945 /nfs/dbraw/zinc/44/09/45/631440945.db2.gz YXOJTTWFPCIKIX-ZDUSSCGKSA-N 0 3 295.379 2.028 20 10 CECDHN COCCO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000802653571 631440947 /nfs/dbraw/zinc/44/09/47/631440947.db2.gz YXOJTTWFPCIKIX-ZDUSSCGKSA-N 0 3 295.379 2.028 20 10 CECDHN C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(F)ccc1[O-] ZINC000806178042 631724174 /nfs/dbraw/zinc/72/41/74/631724174.db2.gz BNSCQXCMMVPUSO-WCQYABFASA-N 0 3 290.338 2.353 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1[O-] ZINC000897819203 631929520 /nfs/dbraw/zinc/92/95/20/631929520.db2.gz XPZCNEQAWLILBF-TVEHIPJCSA-N 0 3 295.766 2.320 20 10 CECDHN c1cc(CNCc2ccc3c(c2)CCO3)cc2nonc12 ZINC000897993460 631995895 /nfs/dbraw/zinc/99/58/95/631995895.db2.gz DMBKECJEQSNOQE-UHFFFAOYSA-N 0 3 281.315 2.448 20 10 CECDHN COc1cccc(O)c1CN1CC=C(c2ccnn2C)CC1 ZINC000809690747 632128229 /nfs/dbraw/zinc/12/82/29/632128229.db2.gz YAJCRKJGRWAYHM-UHFFFAOYSA-N 0 3 299.374 2.424 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000809690747 632128234 /nfs/dbraw/zinc/12/82/34/632128234.db2.gz YAJCRKJGRWAYHM-UHFFFAOYSA-N 0 3 299.374 2.424 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC=C(c2ccnn2C)CC1 ZINC000809690747 632128237 /nfs/dbraw/zinc/12/82/37/632128237.db2.gz YAJCRKJGRWAYHM-UHFFFAOYSA-N 0 3 299.374 2.424 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000809757243 632142441 /nfs/dbraw/zinc/14/24/41/632142441.db2.gz LNCVVPLDMGXFMK-LBPRGKRZSA-N 0 3 287.363 2.124 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000809757243 632142447 /nfs/dbraw/zinc/14/24/47/632142447.db2.gz LNCVVPLDMGXFMK-LBPRGKRZSA-N 0 3 287.363 2.124 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnc3n2CCC3)c1 ZINC000825935558 635735319 /nfs/dbraw/zinc/73/53/19/635735319.db2.gz XYKRHZIFLCXCCV-LLVKDONJSA-N 0 3 287.363 2.394 20 10 CECDHN COc1ccc(CNCc2ccccc2O)c(OC)n1 ZINC000810177116 632191418 /nfs/dbraw/zinc/19/14/18/632191418.db2.gz KKLJZBOXGFQDOJ-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN C[C@@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccccc1[O-] ZINC000810242920 632197857 /nfs/dbraw/zinc/19/78/57/632197857.db2.gz VJIYZUGXXMXQRG-GFCCVEGCSA-N 0 3 284.359 2.271 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841043577 632339549 /nfs/dbraw/zinc/33/95/49/632339549.db2.gz UHLMKCNKMQCXDY-JTQLQIEISA-N 0 3 258.724 2.026 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCNC1 ZINC000841043577 632339553 /nfs/dbraw/zinc/33/95/53/632339553.db2.gz UHLMKCNKMQCXDY-JTQLQIEISA-N 0 3 258.724 2.026 20 10 CECDHN OC1CCN(c2ccc(CNC/C=C\Cl)cc2)CC1 ZINC000898427641 632487708 /nfs/dbraw/zinc/48/77/08/632487708.db2.gz DJBGNNKGQUUOGU-QPIMQUGISA-N 0 3 280.799 2.490 20 10 CECDHN [O-]c1cc(F)c(Cl)cc1CN1CC[NH+](C2CC2)CC1 ZINC000816484809 633398399 /nfs/dbraw/zinc/39/83/99/633398399.db2.gz PHQDOJMYWQCDJC-UHFFFAOYSA-N 0 3 284.762 2.465 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817419368 633656159 /nfs/dbraw/zinc/65/61/59/633656159.db2.gz UTPRPBBXMLIZSV-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H](CCO)CC2)c1[O-] ZINC000817419368 633656164 /nfs/dbraw/zinc/65/61/64/633656164.db2.gz UTPRPBBXMLIZSV-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817419369 633656642 /nfs/dbraw/zinc/65/66/42/633656642.db2.gz UTPRPBBXMLIZSV-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H](CCO)CC2)c1[O-] ZINC000817419369 633656648 /nfs/dbraw/zinc/65/66/48/633656648.db2.gz UTPRPBBXMLIZSV-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN C[C@@H](NCC[NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817952369 633797419 /nfs/dbraw/zinc/79/74/19/633797419.db2.gz FAOPWBVSJSNCMZ-MRVPVSSYSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@@H]([NH2+]CCNC1CC1)c1cc(F)cc(F)c1[O-] ZINC000817952369 633797425 /nfs/dbraw/zinc/79/74/25/633797425.db2.gz FAOPWBVSJSNCMZ-MRVPVSSYSA-N 0 3 256.296 2.073 20 10 CECDHN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2CCCC[C@H]2N)c1[O-] ZINC000818340174 633911743 /nfs/dbraw/zinc/91/17/43/633911743.db2.gz JIRDPMPRAYZIRP-ZIAGYGMSSA-N 0 3 280.343 2.093 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](n3ccnn3)C2)cc1 ZINC000822498150 634930858 /nfs/dbraw/zinc/93/08/58/634930858.db2.gz VHOTZPUKIGESJI-INIZCTEOSA-N 0 3 285.395 2.181 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]Cc1cnn(CCF)c1)CC2 ZINC000903274709 635040826 /nfs/dbraw/zinc/04/08/26/635040826.db2.gz RAFJZWOVMGIYLF-CYBMUJFWSA-N 0 3 275.327 2.335 20 10 CECDHN C[C@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(F)ccc1[O-] ZINC000903421512 635123144 /nfs/dbraw/zinc/12/31/44/635123144.db2.gz VRLWYMHKBLQKJC-JTQLQIEISA-N 0 3 291.326 2.109 20 10 CECDHN C[NH2+]CCN(Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000903570733 635168401 /nfs/dbraw/zinc/16/84/01/635168401.db2.gz ZYTQMUYHDXZGMJ-UHFFFAOYSA-N 0 3 282.359 2.164 20 10 CECDHN CC[C@H]([NH2+]CC[C@](C)(O)COC)c1ccccc1[O-] ZINC000824559322 635450684 /nfs/dbraw/zinc/45/06/84/635450684.db2.gz PEHLQUSATOVNGE-ZFWWWQNUSA-N 0 3 267.369 2.220 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151752 636238101 /nfs/dbraw/zinc/23/81/01/636238101.db2.gz IZZNVUQSEZQZRZ-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151752 636238103 /nfs/dbraw/zinc/23/81/03/636238103.db2.gz IZZNVUQSEZQZRZ-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000827340952 636299100 /nfs/dbraw/zinc/29/91/00/636299100.db2.gz MWUCZEDBKJHHJV-INIZCTEOSA-N 0 3 289.423 2.276 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000827699584 636398235 /nfs/dbraw/zinc/39/82/35/636398235.db2.gz JITRWYPCKSVLPW-MLGOLLRUSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000827699584 636398241 /nfs/dbraw/zinc/39/82/41/636398241.db2.gz JITRWYPCKSVLPW-MLGOLLRUSA-N 0 3 279.380 2.241 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000827938775 636464045 /nfs/dbraw/zinc/46/40/45/636464045.db2.gz RZVUTUWMVIPMLP-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000827938775 636464048 /nfs/dbraw/zinc/46/40/48/636464048.db2.gz RZVUTUWMVIPMLP-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN COCCO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000802652408 637256409 /nfs/dbraw/zinc/25/64/09/637256409.db2.gz FVIBXSLXXAOIEA-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN COCCO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000802652408 637256414 /nfs/dbraw/zinc/25/64/14/637256414.db2.gz FVIBXSLXXAOIEA-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCO2 ZINC000876562523 650329849 /nfs/dbraw/zinc/32/98/49/650329849.db2.gz YYWNRDTVPHEICO-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN CCN1C[C@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1=O ZINC000834888911 637979111 /nfs/dbraw/zinc/97/91/11/637979111.db2.gz CXPRBYMGZVZZTN-UMNHJUIQSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834898154 637981670 /nfs/dbraw/zinc/98/16/70/637981670.db2.gz ZWULAFDTGHWKSX-IAOVAPTHSA-N 0 3 290.407 2.087 20 10 CECDHN CN(C)c1ccc(/C=C\CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000835046113 638037259 /nfs/dbraw/zinc/03/72/59/638037259.db2.gz SSGKMRDBHLRIDM-OEQZANGBSA-N 0 3 272.392 2.080 20 10 CECDHN CCN(C)C(=O)[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835049134 638038597 /nfs/dbraw/zinc/03/85/97/638038597.db2.gz BRHMMOZDSCRCKX-WBTMPAOCSA-N 0 3 289.423 2.222 20 10 CECDHN CC(=O)OC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876740375 650415142 /nfs/dbraw/zinc/41/51/42/650415142.db2.gz MWDVDKSXDFEUIN-UHFFFAOYSA-N 0 3 263.337 2.228 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814487 650443784 /nfs/dbraw/zinc/44/37/84/650443784.db2.gz NMKUNCPBHSVDEG-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876814487 650443785 /nfs/dbraw/zinc/44/37/85/650443785.db2.gz NMKUNCPBHSVDEG-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000876814341 650443840 /nfs/dbraw/zinc/44/38/40/650443840.db2.gz MEZCZVLFKBEHCU-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000876814341 650443841 /nfs/dbraw/zinc/44/38/41/650443841.db2.gz MEZCZVLFKBEHCU-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[NH+]2CCC(Cn3ccnn3)CC2)c([O-])c1 ZINC000876814313 650443865 /nfs/dbraw/zinc/44/38/65/650443865.db2.gz LORMZNICVMYDDY-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@@H]2OC)cc1 ZINC000840825710 639553401 /nfs/dbraw/zinc/55/34/01/639553401.db2.gz ZVTWRWXYVSXHGR-MAZHCROVSA-N 0 3 278.396 2.207 20 10 CECDHN CC[C@@H]([NH2+]CCc1ccnn1C)c1ccccc1[O-] ZINC000158119941 639571339 /nfs/dbraw/zinc/57/13/39/639571339.db2.gz RVXSFEZZDSGOJY-CQSZACIVSA-N 0 3 259.353 2.409 20 10 CECDHN OCC1(c2ccccc2)CN(Cc2ccccc2O)C1 ZINC000840970660 639604933 /nfs/dbraw/zinc/60/49/33/639604933.db2.gz VPJQMURHQYYJON-UHFFFAOYSA-N 0 3 269.344 2.138 20 10 CECDHN [O-]c1ccccc1C[NH+]1CC(CO)(c2ccccc2)C1 ZINC000840970660 639604937 /nfs/dbraw/zinc/60/49/37/639604937.db2.gz VPJQMURHQYYJON-UHFFFAOYSA-N 0 3 269.344 2.138 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000840977485 639607502 /nfs/dbraw/zinc/60/75/02/639607502.db2.gz ITGMYBZXFRAUDA-NEPJUHHUSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000841027503 639620032 /nfs/dbraw/zinc/62/00/32/639620032.db2.gz CLNRNMTYPFUAIN-LBPRGKRZSA-N 0 3 299.212 2.290 20 10 CECDHN C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064417 639640079 /nfs/dbraw/zinc/64/00/79/639640079.db2.gz QGXHUGDSUQVUQS-BXKDBHETSA-N 0 3 299.212 2.242 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105463 639676709 /nfs/dbraw/zinc/67/67/09/639676709.db2.gz PALZZXVJDFNHIU-AWEZNQCLSA-N 0 3 266.772 2.374 20 10 CECDHN CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1[O-] ZINC000842474011 640072209 /nfs/dbraw/zinc/07/22/09/640072209.db2.gz AIAVLNAFPRTBGQ-OKILXGFUSA-N 0 3 292.354 2.060 20 10 CECDHN C[NH2+]C[C@@H]1CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843052153 640254559 /nfs/dbraw/zinc/25/45/59/640254559.db2.gz IKSRMJXLEZDEBJ-NSHDSACASA-N 0 3 268.788 2.395 20 10 CECDHN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000843427335 640426897 /nfs/dbraw/zinc/42/68/97/640426897.db2.gz LIZNHIJEWXSQEK-ZWNOBZJWSA-N 0 3 255.333 2.418 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000877121224 650581458 /nfs/dbraw/zinc/58/14/58/650581458.db2.gz LTETXLBSQDXVKB-OAHLLOKOSA-N 0 3 283.375 2.464 20 10 CECDHN COc1ccc(O)c([C@H](C)NC(=O)C2(N(C)C)CCC2)c1 ZINC000153888212 640740984 /nfs/dbraw/zinc/74/09/84/640740984.db2.gz GGQUBBRPXNATEG-NSHDSACASA-N 0 3 292.379 2.062 20 10 CECDHN COc1cccc([C@H](C)NCc2c[nH]nc2C)c1O ZINC000846154785 641205899 /nfs/dbraw/zinc/20/58/99/641205899.db2.gz MZVSWLHJCXSQEP-JTQLQIEISA-N 0 3 261.325 2.283 20 10 CECDHN Cc1ccc(C[N@@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000877316992 650671402 /nfs/dbraw/zinc/67/14/02/650671402.db2.gz SLHNBMKHNVPINP-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN Cc1ccc(C[N@H+]2CCOCC3(CCOCC3)C2)c([O-])c1 ZINC000877316992 650671404 /nfs/dbraw/zinc/67/14/04/650671404.db2.gz SLHNBMKHNVPINP-UHFFFAOYSA-N 0 3 291.391 2.330 20 10 CECDHN C[C@@H]([NH2+]CCC1(C)OCCO1)c1ccccc1[O-] ZINC000183906541 641812681 /nfs/dbraw/zinc/81/26/81/641812681.db2.gz JXMPCFPYVLRORM-LLVKDONJSA-N 0 3 251.326 2.196 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c([O-])c1 ZINC000877429725 650716462 /nfs/dbraw/zinc/71/64/62/650716462.db2.gz MEJRWFPMFNIPKJ-ZDUSSCGKSA-N 0 3 257.337 2.002 20 10 CECDHN CCc1cccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908083 642184053 /nfs/dbraw/zinc/18/40/53/642184053.db2.gz MRKSVAVDTTWLQI-SUMWQHHRSA-N 0 3 291.391 2.334 20 10 CECDHN C[N@H+](Cc1cccc(Br)c1[O-])CC(C)(C)N ZINC000849350576 642335412 /nfs/dbraw/zinc/33/54/12/642335412.db2.gz QVSZYOWRGXMVRS-UHFFFAOYSA-N 0 3 287.201 2.324 20 10 CECDHN C[N@@H+](Cc1cccc(Br)c1[O-])CC(C)(C)N ZINC000849350576 642335423 /nfs/dbraw/zinc/33/54/23/642335423.db2.gz QVSZYOWRGXMVRS-UHFFFAOYSA-N 0 3 287.201 2.324 20 10 CECDHN CN(Cc1cccc(Br)c1[O-])CC(C)(C)[NH3+] ZINC000849350576 642335430 /nfs/dbraw/zinc/33/54/30/642335430.db2.gz QVSZYOWRGXMVRS-UHFFFAOYSA-N 0 3 287.201 2.324 20 10 CECDHN COC(=O)c1ccc(CNCc2c(C)cccc2O)o1 ZINC000877526129 650766953 /nfs/dbraw/zinc/76/69/53/650766953.db2.gz GLEXXBRKMXEURT-UHFFFAOYSA-N 0 3 275.304 2.370 20 10 CECDHN COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000850429838 642709299 /nfs/dbraw/zinc/70/92/99/642709299.db2.gz KIGHEIZGPXQRFK-HNNXBMFYSA-N 0 3 279.380 2.314 20 10 CECDHN Cc1ccc(C[NH2+]CCc2nccnc2C)c([O-])c1 ZINC000877552275 650782841 /nfs/dbraw/zinc/78/28/41/650782841.db2.gz MQCORLYMGWHMFU-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnn(CCF)c2)c1 ZINC000922217252 642963719 /nfs/dbraw/zinc/96/37/19/642963719.db2.gz NITBELPKZHQVAN-LLVKDONJSA-N 0 3 293.342 2.418 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C1CC1 ZINC000877616171 650815819 /nfs/dbraw/zinc/81/58/19/650815819.db2.gz FECQFKMEFPKMJO-LSDHHAIUSA-N 0 3 289.375 2.332 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C1CC1 ZINC000877616171 650815820 /nfs/dbraw/zinc/81/58/20/650815820.db2.gz FECQFKMEFPKMJO-LSDHHAIUSA-N 0 3 289.375 2.332 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922722080 643229750 /nfs/dbraw/zinc/22/97/50/643229750.db2.gz AMLBXAPDNXDRET-XQQFMLRXSA-N 0 3 275.348 2.082 20 10 CECDHN CN(C)[C@@H](CC[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000922752252 643239336 /nfs/dbraw/zinc/23/93/36/643239336.db2.gz DDQWSNYMQGXEFW-LBPRGKRZSA-N 0 3 276.302 2.364 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](CO)C2)c1[O-] ZINC000877666656 650841511 /nfs/dbraw/zinc/84/15/11/650841511.db2.gz GOQFDKHMQIIWBE-WVSHTKLVSA-N 0 3 255.745 2.215 20 10 CECDHN Cc1cc(Br)cc(CNC2(C)COC2)c1O ZINC000877691585 650853031 /nfs/dbraw/zinc/85/30/31/650853031.db2.gz SIFPSCXYYILPOW-UHFFFAOYSA-N 0 3 286.169 2.342 20 10 CECDHN COc1ccc(N2CC[C@H](Nc3cc(C)nc(N)n3)C2)cc1 ZINC000853758342 643892629 /nfs/dbraw/zinc/89/26/29/643892629.db2.gz CLXVLLNTBYXJSH-LBPRGKRZSA-N 0 3 299.378 2.067 20 10 CECDHN CCOC(=O)[C@H](C)C1CN(Cc2cccc(C)c2O)C1 ZINC000877830502 650926180 /nfs/dbraw/zinc/92/61/80/650926180.db2.gz MDWZZKRFGTXXHO-GFCCVEGCSA-N 0 3 277.364 2.332 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2[O-] ZINC000756779901 644691098 /nfs/dbraw/zinc/69/10/98/644691098.db2.gz NSDHUPOEWPAKGD-ONGXEEELSA-N 0 3 281.327 2.432 20 10 CECDHN Cc1ccc([C@@H](C)NCc2ccnc(N(C)C)n2)c(O)c1 ZINC000756792117 644693481 /nfs/dbraw/zinc/69/34/81/644693481.db2.gz YLESSNPYTADBNZ-GFCCVEGCSA-N 0 3 286.379 2.407 20 10 CECDHN CCOc1cncc(CNCc2cc(OC)ccc2O)c1 ZINC000856770973 644717094 /nfs/dbraw/zinc/71/70/94/644717094.db2.gz UIFBMCWCHPOYCO-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843058487 644773481 /nfs/dbraw/zinc/77/34/81/644773481.db2.gz UIAHEKIYZLQXAF-ZJUUUORDSA-N 0 3 254.761 2.215 20 10 CECDHN Cc1ccc(O)c(CNCc2cnc(Cl)n2C)c1 ZINC000858239805 645095975 /nfs/dbraw/zinc/09/59/75/645095975.db2.gz UOPCXABHGXBYGZ-UHFFFAOYSA-N 0 3 265.744 2.377 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000858295510 645109336 /nfs/dbraw/zinc/10/93/36/645109336.db2.gz DYHNYQFTKFQIAB-ABAIWWIYSA-N 0 3 263.337 2.058 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858547230 645196913 /nfs/dbraw/zinc/19/69/13/645196913.db2.gz DWJFXHLMSOVNAZ-DGCLKSJQSA-N 0 3 298.814 2.071 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)N(C)OC)cc1 ZINC000858586215 645213386 /nfs/dbraw/zinc/21/33/86/645213386.db2.gz GZXYKJPDAQGPLM-CHWSQXEVSA-N 0 3 293.411 2.202 20 10 CECDHN COc1ccc(N2CC[C@H](Nc3ccnc(CO)c3)C2)cc1 ZINC000858620348 645222847 /nfs/dbraw/zinc/22/28/47/645222847.db2.gz BYTKHHKYFDJFIG-AWEZNQCLSA-N 0 3 299.374 2.273 20 10 CECDHN CCOc1ccc(C[N@H+](CC)CCOC)c([O-])c1 ZINC000768252542 646101095 /nfs/dbraw/zinc/10/10/95/646101095.db2.gz SQLKVWHYBBKNDI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+](CC)CCOC)c([O-])c1 ZINC000768252542 646101099 /nfs/dbraw/zinc/10/10/99/646101099.db2.gz SQLKVWHYBBKNDI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441715 646122890 /nfs/dbraw/zinc/12/28/90/646122890.db2.gz GPDILEMOADUJQJ-UKRRQHHQSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441715 646122891 /nfs/dbraw/zinc/12/28/91/646122891.db2.gz GPDILEMOADUJQJ-UKRRQHHQSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440045 646122949 /nfs/dbraw/zinc/12/29/49/646122949.db2.gz CRSAUJDXDYEHGC-HNNXBMFYSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440045 646122951 /nfs/dbraw/zinc/12/29/51/646122951.db2.gz CRSAUJDXDYEHGC-HNNXBMFYSA-N 0 3 277.364 2.438 20 10 CECDHN COc1cc(CN2CCN(C3CCC3)CC2)c(O)cc1C ZINC000768448648 646123561 /nfs/dbraw/zinc/12/35/61/646123561.db2.gz UVSNBICYTKPNLB-UHFFFAOYSA-N 0 3 290.407 2.379 20 10 CECDHN CCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444564 646124202 /nfs/dbraw/zinc/12/42/02/646124202.db2.gz MIDWOCUIQGQWDO-CYBMUJFWSA-N 0 3 251.326 2.050 20 10 CECDHN CCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444564 646124204 /nfs/dbraw/zinc/12/42/04/646124204.db2.gz MIDWOCUIQGQWDO-CYBMUJFWSA-N 0 3 251.326 2.050 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC000768888778 646179114 /nfs/dbraw/zinc/17/91/14/646179114.db2.gz MLGBZBHSNTWPJS-UHFFFAOYSA-N 0 3 251.326 2.013 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC000768888778 646179116 /nfs/dbraw/zinc/17/91/16/646179116.db2.gz MLGBZBHSNTWPJS-UHFFFAOYSA-N 0 3 251.326 2.013 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCCO1 ZINC000769030966 646194721 /nfs/dbraw/zinc/19/47/21/646194721.db2.gz ZBRQSRWLOSLRPU-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCCO1 ZINC000769030966 646194726 /nfs/dbraw/zinc/19/47/26/646194726.db2.gz ZBRQSRWLOSLRPU-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000769327644 646245735 /nfs/dbraw/zinc/24/57/35/646245735.db2.gz CYCCYBVQOAAYPE-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000769327644 646245736 /nfs/dbraw/zinc/24/57/36/646245736.db2.gz CYCCYBVQOAAYPE-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+](CCO)[C@@H](C)CC)c([O-])c1 ZINC000862388034 646430945 /nfs/dbraw/zinc/43/09/45/646430945.db2.gz UVXYNTQOKDNNAL-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](CCO)[C@@H](C)CC)c([O-])c1 ZINC000862388034 646430955 /nfs/dbraw/zinc/43/09/55/646430955.db2.gz UVXYNTQOKDNNAL-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN C[C@H]1CC[C@@H](NCc2c([O-])cccc2Cl)C[NH2+]1 ZINC000863484209 646740421 /nfs/dbraw/zinc/74/04/21/646740421.db2.gz IAZRDDVBPQZZES-VHSXEESVSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000863547656 646754015 /nfs/dbraw/zinc/75/40/15/646754015.db2.gz RGXLXGCSXXABFV-KKZNHRDASA-N 0 3 270.323 2.462 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(F)cc(F)c1[O-] ZINC000863547656 646754019 /nfs/dbraw/zinc/75/40/19/646754019.db2.gz RGXLXGCSXXABFV-KKZNHRDASA-N 0 3 270.323 2.462 20 10 CECDHN CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000775501100 646960684 /nfs/dbraw/zinc/96/06/84/646960684.db2.gz BRXWFASMBSCOTI-ZFWWWQNUSA-N 0 3 278.396 2.154 20 10 CECDHN CCc1nncn1CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000775511106 646961195 /nfs/dbraw/zinc/96/11/95/646961195.db2.gz BIVFDWWILFHTFX-CYBMUJFWSA-N 0 3 274.368 2.287 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCCn2cncn2)c1[O-] ZINC000776175382 647032379 /nfs/dbraw/zinc/03/23/79/647032379.db2.gz XUTVOLRYAZTVFN-UHFFFAOYSA-N 0 3 280.759 2.125 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)c2ccnn2C)c([O-])c1 ZINC000865839693 647486754 /nfs/dbraw/zinc/48/67/54/647486754.db2.gz QLVIYIDHAOCJHD-NSHDSACASA-N 0 3 275.352 2.375 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c([O-])c1 ZINC000783599035 647735567 /nfs/dbraw/zinc/73/55/67/647735567.db2.gz HMFXGWNFKHHRKA-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc(C[N@H+]2CCOCC3(CC3)C2)c([O-])c1 ZINC000783599035 647735569 /nfs/dbraw/zinc/73/55/69/647735569.db2.gz HMFXGWNFKHHRKA-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](CCO)C2CCOCC2)c1[O-] ZINC000783716803 647750690 /nfs/dbraw/zinc/75/06/90/647750690.db2.gz CBUXQERSNOYOCE-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](CCO)C2CCOCC2)c1[O-] ZINC000783716803 647750692 /nfs/dbraw/zinc/75/06/92/647750692.db2.gz CBUXQERSNOYOCE-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1[C@@H]3OC[C@@H]4C[C@H]1C[C@@H]43)CC2 ZINC000866444724 647789051 /nfs/dbraw/zinc/78/90/51/647789051.db2.gz CARSTEFIICMIKE-XTPYWUFDSA-N 0 3 271.360 2.393 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c([O-])c1 ZINC000788633824 648210012 /nfs/dbraw/zinc/21/00/12/648210012.db2.gz VADPXSDPMQFCLG-PBHICJAKSA-N 0 3 293.407 2.449 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCSC1 ZINC000790484643 648422237 /nfs/dbraw/zinc/42/22/37/648422237.db2.gz GKTJBSGWSYWCKB-SNVBAGLBSA-N 0 3 253.367 2.244 20 10 CECDHN Cc1c(CN(C)Cc2cccc(C)c2O)cnn1C ZINC000790938802 648462927 /nfs/dbraw/zinc/46/29/27/648462927.db2.gz VIDUYRBYJWDHSA-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872264720 649333234 /nfs/dbraw/zinc/33/32/34/649333234.db2.gz ZQXNKRPAFWACSM-KGLIPLIRSA-N 0 3 251.301 2.333 20 10 CECDHN CCCOc1ccc(CN[C@H]2C(=O)NCC[C@H]2C)cc1C ZINC000873122547 649562959 /nfs/dbraw/zinc/56/29/59/649562959.db2.gz SUCMNDSHNREMCT-MLGOLLRUSA-N 0 3 290.407 2.398 20 10 CECDHN COc1ccc(CN[C@H](C)c2ccccc2O)nn1 ZINC000879649251 651335426 /nfs/dbraw/zinc/33/54/26/651335426.db2.gz LZJYCTPCKAJWHK-SNVBAGLBSA-N 0 3 259.309 2.042 20 10 CECDHN CC(C)[C@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270845 651656582 /nfs/dbraw/zinc/65/65/82/651656582.db2.gz CCMYYJIYWRQRAM-HNNXBMFYSA-N 0 3 273.384 2.048 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000883395179 652454501 /nfs/dbraw/zinc/45/45/01/652454501.db2.gz ORYIRJGJBZOINL-DZGCQCFKSA-N 0 3 288.391 2.444 20 10 CECDHN C[C@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1[O-] ZINC000135719122 652980086 /nfs/dbraw/zinc/98/00/86/652980086.db2.gz WRTKWCFLMSXMFB-ZDUSSCGKSA-N 0 3 276.380 2.445 20 10 CECDHN CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccccc1[O-] ZINC000160141262 802314043 /nfs/dbraw/zinc/31/40/43/802314043.db2.gz GFXSMNUTQTYWTF-HIFRSBDPSA-N 0 3 265.353 2.238 20 10 CECDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059137 802551161 /nfs/dbraw/zinc/55/11/61/802551161.db2.gz UUUGIRKXIOJWNN-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059137 802551167 /nfs/dbraw/zinc/55/11/67/802551167.db2.gz UUUGIRKXIOJWNN-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN CC1(C)OCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000693156725 802680108 /nfs/dbraw/zinc/68/01/08/802680108.db2.gz VAVUUDFQNNLWJD-NSHDSACASA-N 0 3 253.317 2.436 20 10 CECDHN C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140466219 802957691 /nfs/dbraw/zinc/95/76/91/802957691.db2.gz BOOBCHOGUVPBFA-BETUJISGSA-N 0 3 266.772 2.324 20 10 CECDHN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140466219 802957694 /nfs/dbraw/zinc/95/76/94/802957694.db2.gz BOOBCHOGUVPBFA-BETUJISGSA-N 0 3 266.772 2.324 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)c([O-])c1 ZINC000716775361 815146755 /nfs/dbraw/zinc/14/67/55/815146755.db2.gz UEOKFEVKLPSOKH-GXSJLCMTSA-N 0 3 259.296 2.367 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@H]2C)c1[O-] ZINC000699846505 807876779 /nfs/dbraw/zinc/87/67/79/807876779.db2.gz IQEGEMYVMBSZSY-KCJUWKMLSA-N 0 3 271.744 2.179 20 10 CECDHN COC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381361341 810366832 /nfs/dbraw/zinc/36/68/32/810366832.db2.gz KIQLOYHAYDGELG-AWEZNQCLSA-N 0 3 253.317 2.390 20 10 CECDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381361341 810366835 /nfs/dbraw/zinc/36/68/35/810366835.db2.gz KIQLOYHAYDGELG-AWEZNQCLSA-N 0 3 253.317 2.390 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C(C)C)N(C)C ZINC000115489895 810594005 /nfs/dbraw/zinc/59/40/05/810594005.db2.gz QLECWVFUNSBLCG-INIZCTEOSA-N 0 3 291.439 2.263 20 10 CECDHN C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1c([O-])cccc1F ZINC001122257891 815396933 /nfs/dbraw/zinc/39/69/33/815396933.db2.gz FDOZRCXZWCDYET-IAQYHMDHSA-N 0 3 280.343 2.055 20 10 CECDHN CC(C)OCC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172442557 815438538 /nfs/dbraw/zinc/43/85/38/815438538.db2.gz LHZREHFBSPHJRL-NSHDSACASA-N 0 3 253.342 2.391 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691424636 811646742 /nfs/dbraw/zinc/64/67/42/811646742.db2.gz WANOPAFDKRYCHQ-JSGCOSHPSA-N 0 3 251.301 2.188 20 10 CECDHN Cc1nc(CN[C@@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000392379234 813302683 /nfs/dbraw/zinc/30/26/83/813302683.db2.gz KLMAEHDNUQTZRI-JTQLQIEISA-N 0 3 259.357 2.030 20 10 CECDHN CC(C)[N@H+](Cc1c([O-])cc(O)cc1O)C1CCOCC1 ZINC001144520544 814095106 /nfs/dbraw/zinc/09/51/06/814095106.db2.gz UKMBRCXZGFXAEQ-UHFFFAOYSA-N 0 3 281.352 2.193 20 10 CECDHN CC(C)[N@@H+](Cc1c([O-])cc(O)cc1O)C1CCOCC1 ZINC001144520544 814095109 /nfs/dbraw/zinc/09/51/09/814095109.db2.gz UKMBRCXZGFXAEQ-UHFFFAOYSA-N 0 3 281.352 2.193 20 10 CECDHN Cc1c(CN2CC3(COC3)C2)c2ccccc2n1C ZINC001138252770 815754646 /nfs/dbraw/zinc/75/46/46/815754646.db2.gz UGEYPPYPFKDKMH-UHFFFAOYSA-N 0 3 256.349 2.319 20 10 CECDHN CN1CCCc2cc(CN3C[C@H]4CC[C@@H](C3)C4=O)ccc21 ZINC001138356535 815774299 /nfs/dbraw/zinc/77/42/99/815774299.db2.gz QPJYOPXTORNOCZ-IYBDPMFKSA-N 0 3 284.403 2.480 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCCC(=O)N3)CC2)c([O-])c1 ZINC001140949448 816422069 /nfs/dbraw/zinc/42/20/69/816422069.db2.gz CDHDHGPMBDGBNY-UHFFFAOYSA-N 0 3 288.391 2.335 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](OC)C2)c(OC)c1 ZINC001141029263 816451715 /nfs/dbraw/zinc/45/17/15/816451715.db2.gz MPYKPUKLOOXBMH-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC)C2)c(OC)c1 ZINC001141029263 816451719 /nfs/dbraw/zinc/45/17/19/816451719.db2.gz MPYKPUKLOOXBMH-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@H](OC)C2)c(OC)c1 ZINC001141029263 816451724 /nfs/dbraw/zinc/45/17/24/816451724.db2.gz MPYKPUKLOOXBMH-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COCC1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074557 816469602 /nfs/dbraw/zinc/46/96/02/816469602.db2.gz LZSQQGQAZUULFR-UHFFFAOYSA-N 0 3 286.419 2.464 20 10 CECDHN CCCN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141144007 816485808 /nfs/dbraw/zinc/48/58/08/816485808.db2.gz SGIKPJTUNRGRCA-UHFFFAOYSA-N 0 3 289.423 2.043 20 10 CECDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])c1ccsc1 ZINC000077460789 343920752 /nfs/dbraw/zinc/92/07/52/343920752.db2.gz USSVOQQICZTOMM-CQSZACIVSA-N 0 3 263.362 2.451 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000051991429 362456359 /nfs/dbraw/zinc/45/63/59/362456359.db2.gz PUKIAZBQGOQGEN-STQMWFEESA-N 0 3 265.353 2.184 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290626961 344684291 /nfs/dbraw/zinc/68/42/91/344684291.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 0 3 278.396 2.173 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1 ZINC000290626961 344684294 /nfs/dbraw/zinc/68/42/94/344684294.db2.gz XOWGWACDBOMLPG-DOMZBBRYSA-N 0 3 278.396 2.173 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1[O-] ZINC000094618484 364284312 /nfs/dbraw/zinc/28/43/12/364284312.db2.gz VZBKCRZSEROYNE-IACUBPJLSA-N 0 3 294.370 2.045 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104190170 364684748 /nfs/dbraw/zinc/68/47/48/364684748.db2.gz QDWOWQOPYJDJCA-NSHDSACASA-N 0 3 265.353 2.478 20 10 CECDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000111404459 364733819 /nfs/dbraw/zinc/73/38/19/364733819.db2.gz JRBBMWBUUHDRGP-ZDUSSCGKSA-N 0 3 281.352 2.008 20 10 CECDHN C[N@H+](CCOCC1CC1)Cc1cc(F)ccc1[O-] ZINC000180231732 368373646 /nfs/dbraw/zinc/37/36/46/368373646.db2.gz PMWUZMIGIVQSJG-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN C[N@@H+](CCOCC1CC1)Cc1cc(F)ccc1[O-] ZINC000180231732 368373650 /nfs/dbraw/zinc/37/36/50/368373650.db2.gz PMWUZMIGIVQSJG-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN CCOC(=O)N1CCCN(Cc2cccc(C)c2O)CC1 ZINC000179930141 368358797 /nfs/dbraw/zinc/35/87/97/368358797.db2.gz LPNQVXZIUHSVQM-UHFFFAOYSA-N 0 3 292.379 2.365 20 10 CECDHN CN(C)c1ccc(CNC2(C(N)=O)CCCCC2)cc1 ZINC000180045800 368364738 /nfs/dbraw/zinc/36/47/38/368364738.db2.gz DVNXSBDFENLZFS-UHFFFAOYSA-N 0 3 275.396 2.030 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NC(C)(C)C ZINC000181234757 368435257 /nfs/dbraw/zinc/43/52/57/368435257.db2.gz RATOBHMDTIGVPI-UWVGGRQHSA-N 0 3 282.359 2.485 20 10 CECDHN COCCC[N@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000188936640 369431254 /nfs/dbraw/zinc/43/12/54/369431254.db2.gz PRGPTWPUMWKGHV-UHFFFAOYSA-N 0 3 287.787 2.185 20 10 CECDHN COCCC[N@@H+](CCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000188936640 369431257 /nfs/dbraw/zinc/43/12/57/369431257.db2.gz PRGPTWPUMWKGHV-UHFFFAOYSA-N 0 3 287.787 2.185 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)cc1OC ZINC000190303915 369611753 /nfs/dbraw/zinc/61/17/53/369611753.db2.gz BACNIPWPZPGLST-AAEUAGOBSA-N 0 3 295.379 2.050 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@H](C)OC)c([O-])c1 ZINC000191139011 369683821 /nfs/dbraw/zinc/68/38/21/369683821.db2.gz PEBWLGQHBHFZGO-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000230659319 370461974 /nfs/dbraw/zinc/46/19/74/370461974.db2.gz IOPOSMAQGAYLOE-WKEGUHRASA-N 0 3 267.222 2.105 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000268739538 372204396 /nfs/dbraw/zinc/20/43/96/372204396.db2.gz RETFCABGMJFRJS-CHWSQXEVSA-N 0 3 277.412 2.318 20 10 CECDHN CO[C@@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000268877900 372268173 /nfs/dbraw/zinc/26/81/73/372268173.db2.gz QVFCRPANTAPWFV-OLZOCXBDSA-N 0 3 296.386 2.175 20 10 CECDHN CN(C)c1ccc(CN2CCN(C3CCC3)CC2)cc1 ZINC000271179311 373164094 /nfs/dbraw/zinc/16/40/94/373164094.db2.gz LQIAASDPJMGRDM-UHFFFAOYSA-N 0 3 273.424 2.423 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(CC)C(=O)C1 ZINC000367309722 373147460 /nfs/dbraw/zinc/14/74/60/373147460.db2.gz YJFCXCDQKUBHQG-CQSZACIVSA-N 0 3 276.380 2.398 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(CC)C(=O)C1 ZINC000367309722 373147462 /nfs/dbraw/zinc/14/74/62/373147462.db2.gz YJFCXCDQKUBHQG-CQSZACIVSA-N 0 3 276.380 2.398 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC000271802397 373204148 /nfs/dbraw/zinc/20/41/48/373204148.db2.gz LBUZCQUAQQZJDJ-AWEZNQCLSA-N 0 3 267.369 2.240 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1 ZINC000271802397 373204157 /nfs/dbraw/zinc/20/41/57/373204157.db2.gz LBUZCQUAQQZJDJ-AWEZNQCLSA-N 0 3 267.369 2.240 20 10 CECDHN Cc1cccc(CN2CCN(C3CCC3)CC2)c1O ZINC000271891971 373206451 /nfs/dbraw/zinc/20/64/51/373206451.db2.gz XHCHHLIIFVHUEF-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN CC[C@@H]1CN(Cc2cccc(C)c2O)C[C@]2(CCOC2)O1 ZINC000370210475 373607067 /nfs/dbraw/zinc/60/70/67/373607067.db2.gz QEFFUGOZUBLGDK-WBVHZDCISA-N 0 3 291.391 2.471 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1 ZINC000273175734 373748664 /nfs/dbraw/zinc/74/86/64/373748664.db2.gz NHPSVCBYGHDANU-JKSUJKDBSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCOCCO)c([O-])c1C ZINC000273491301 373759989 /nfs/dbraw/zinc/75/99/89/373759989.db2.gz WQZCEBZEVRKMQH-ZDUSSCGKSA-N 0 3 267.369 2.059 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273567922 373765584 /nfs/dbraw/zinc/76/55/84/373765584.db2.gz JYPVYINEVGVRGN-CABCVRRESA-N 0 3 292.423 2.380 20 10 CECDHN O=C1CCCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000374905840 374635789 /nfs/dbraw/zinc/63/57/89/374635789.db2.gz ADMWPUPASAYDEH-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000374905840 374635793 /nfs/dbraw/zinc/63/57/93/374635793.db2.gz ADMWPUPASAYDEH-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN CC[C@H]([NH2+][C@H](CO)CCOC)c1ccc(C)cc1[O-] ZINC000281764878 375395805 /nfs/dbraw/zinc/39/58/05/375395805.db2.gz WOSIHVKHGAQDNI-JSGCOSHPSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1 ZINC000284937764 375833341 /nfs/dbraw/zinc/83/33/41/375833341.db2.gz DSFJZNSTOOPKGG-GFCCVEGCSA-N 0 3 265.353 2.423 20 10 CECDHN Cc1ccc(O)c(CN(CCCO)Cc2ccccn2)c1 ZINC000289176455 376389261 /nfs/dbraw/zinc/38/92/61/376389261.db2.gz ABUUPQQOXQNYRS-UHFFFAOYSA-N 0 3 286.375 2.480 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000289334080 376391389 /nfs/dbraw/zinc/39/13/89/376391389.db2.gz HBJZJRZJWQBXDW-TXEJJXNPSA-N 0 3 251.326 2.010 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1[O-] ZINC000289334080 376391396 /nfs/dbraw/zinc/39/13/96/376391396.db2.gz HBJZJRZJWQBXDW-TXEJJXNPSA-N 0 3 251.326 2.010 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097440108 295168580 /nfs/dbraw/zinc/16/85/80/295168580.db2.gz NXGAXIUNOODUCV-QWRGUYRKSA-N 0 3 253.342 2.070 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000295193032 378047424 /nfs/dbraw/zinc/04/74/24/378047424.db2.gz XNUKLRZVPXFQSU-GOEBONIOSA-N 0 3 292.423 2.280 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NC(C)(C)C ZINC000295787451 378303409 /nfs/dbraw/zinc/30/34/09/378303409.db2.gz ABDOCUYZBCMXCF-ZYHUDNBSSA-N 0 3 276.380 2.272 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295826689 378320453 /nfs/dbraw/zinc/32/04/53/378320453.db2.gz DRWLZKHQSCXZQI-YPMHNXCESA-N 0 3 276.380 2.274 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295826682 378320478 /nfs/dbraw/zinc/32/04/78/378320478.db2.gz DRWLZKHQSCXZQI-DGCLKSJQSA-N 0 3 276.380 2.274 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296666482 378611122 /nfs/dbraw/zinc/61/11/22/378611122.db2.gz FPJAABBICDOWBD-AJLCLMPTSA-N 0 3 267.394 2.126 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCO[C@H]1CCOC1)CC2 ZINC000297540143 378686760 /nfs/dbraw/zinc/68/67/60/378686760.db2.gz DYWBIMHDKVUDBG-UONOGXRCSA-N 0 3 277.364 2.165 20 10 CECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000529668475 380183714 /nfs/dbraw/zinc/18/37/14/380183714.db2.gz GHOABQDYDPCGAD-QOBXEIRBSA-N 0 3 253.317 2.433 20 10 CECDHN Cc1cc(O)c(CNC[C@](C)(O)C(F)(F)F)cc1C ZINC000270460571 394734611 /nfs/dbraw/zinc/73/46/11/394734611.db2.gz FNDSYJKUCPTQFV-LBPRGKRZSA-N 0 3 277.286 2.412 20 10 CECDHN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C(F)(F)F)cc1C ZINC000270460571 394734614 /nfs/dbraw/zinc/73/46/14/394734614.db2.gz FNDSYJKUCPTQFV-LBPRGKRZSA-N 0 3 277.286 2.412 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1cccc(C)c1O ZINC000124564360 394838455 /nfs/dbraw/zinc/83/84/55/394838455.db2.gz VZBBULUGYWAJRI-UHFFFAOYSA-N 0 3 264.369 2.001 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000364447160 394904013 /nfs/dbraw/zinc/90/40/13/394904013.db2.gz KIRPEVSTEUPTHE-LBPRGKRZSA-N 0 3 267.756 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000364447160 394904015 /nfs/dbraw/zinc/90/40/15/394904015.db2.gz KIRPEVSTEUPTHE-LBPRGKRZSA-N 0 3 267.756 2.311 20 10 CECDHN CC[C@@H](c1ccccc1O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000364637125 394913457 /nfs/dbraw/zinc/91/34/57/394913457.db2.gz OCEKWNKVRAOSGA-WFASDCNBSA-N 0 3 281.327 2.430 20 10 CECDHN CCOc1ccc(O)c(CN(C)[C@@H]2CCOC2)c1 ZINC000132167996 394925779 /nfs/dbraw/zinc/92/57/79/394925779.db2.gz ICTHQMHHFWZQNY-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1[O-] ZINC000135213458 394963746 /nfs/dbraw/zinc/96/37/46/394963746.db2.gz MFLDAFWLCXNSQP-WCQYABFASA-N 0 3 265.353 2.306 20 10 CECDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368131662 394979565 /nfs/dbraw/zinc/97/95/65/394979565.db2.gz BDWKAAXSXKARIE-CYBMUJFWSA-N 0 3 257.337 2.115 20 10 CECDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368131662 394979567 /nfs/dbraw/zinc/97/95/67/394979567.db2.gz BDWKAAXSXKARIE-CYBMUJFWSA-N 0 3 257.337 2.115 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951707 395050001 /nfs/dbraw/zinc/05/00/01/395050001.db2.gz JXDOCOGCWSJSHU-RHSMWYFYSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951707 395050005 /nfs/dbraw/zinc/05/00/05/395050005.db2.gz JXDOCOGCWSJSHU-RHSMWYFYSA-N 0 3 289.375 2.476 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000372359315 395040381 /nfs/dbraw/zinc/04/03/81/395040381.db2.gz UUWIZSGERRNLGO-INIZCTEOSA-N 0 3 274.408 2.490 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376032507 395107934 /nfs/dbraw/zinc/10/79/34/395107934.db2.gz ZWURIQLTZDGMQO-XHDPSFHLSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000376032507 395107937 /nfs/dbraw/zinc/10/79/37/395107937.db2.gz ZWURIQLTZDGMQO-XHDPSFHLSA-N 0 3 263.337 2.012 20 10 CECDHN CCOc1cccc(CN2CC[C@@H]2COC)c1O ZINC000293542042 395239192 /nfs/dbraw/zinc/23/91/92/395239192.db2.gz CYYSYFSPFBYEJM-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCN(Cc1ccc(N(C)C)c(F)c1)[C@@H](C)CO ZINC000293562509 395240235 /nfs/dbraw/zinc/24/02/35/395240235.db2.gz GEMSIJMHGUNTSI-NSHDSACASA-N 0 3 254.349 2.094 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(O)CCSC2)c1[O-] ZINC000182558224 395243739 /nfs/dbraw/zinc/24/37/39/395243739.db2.gz FPHRIKGDAIMGPM-ZDUSSCGKSA-N 0 3 287.812 2.312 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293653572 395245227 /nfs/dbraw/zinc/24/52/27/395245227.db2.gz ISOPEZIACHNJDO-STQMWFEESA-N 0 3 267.369 2.057 20 10 CECDHN COc1cc(O)c(CN2CCCO[C@@H](C)C2)cc1OC ZINC000179443882 395193460 /nfs/dbraw/zinc/19/34/60/395193460.db2.gz PVFCWCDHFHUHCZ-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000179563974 395195070 /nfs/dbraw/zinc/19/50/70/395195070.db2.gz XSPKSWYNHHKRRY-OAHLLOKOSA-N 0 3 260.381 2.452 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CN1CCCC1 ZINC000179563974 395195074 /nfs/dbraw/zinc/19/50/74/395195074.db2.gz XSPKSWYNHHKRRY-OAHLLOKOSA-N 0 3 260.381 2.452 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1[O-] ZINC000295114505 395286079 /nfs/dbraw/zinc/28/60/79/395286079.db2.gz VMIRZGOQLDXSBO-MFKMUULPSA-N 0 3 289.322 2.285 20 10 CECDHN Cc1nccnc1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297475501 395341847 /nfs/dbraw/zinc/34/18/47/395341847.db2.gz YVEQPZJMRLXMHO-CQSZACIVSA-N 0 3 269.348 2.310 20 10 CECDHN CN(C)[C@@H](C[NH2+]Cc1ccccc1[O-])c1ccco1 ZINC000020122156 171002034 /nfs/dbraw/zinc/00/20/34/171002034.db2.gz VGHPRDDZCHQYNU-ZDUSSCGKSA-N 0 3 260.337 2.378 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1cc(C)c(C)cc1[O-] ZINC000151971424 261057693 /nfs/dbraw/zinc/05/76/93/261057693.db2.gz KLDCBZPQMQBQMR-UHFFFAOYSA-N 0 3 265.353 2.394 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1cc(C)c(C)cc1[O-] ZINC000151971424 261057695 /nfs/dbraw/zinc/05/76/95/261057695.db2.gz KLDCBZPQMQBQMR-UHFFFAOYSA-N 0 3 265.353 2.394 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccccc1[O-] ZINC000155435156 261102138 /nfs/dbraw/zinc/10/21/38/261102138.db2.gz FDHDLQSIZWWIDL-DGCLKSJQSA-N 0 3 260.341 2.113 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000156689253 261129478 /nfs/dbraw/zinc/12/94/78/261129478.db2.gz KHHFQEYNAPNFDA-BXUZGUMPSA-N 0 3 274.364 2.196 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050586 261152794 /nfs/dbraw/zinc/15/27/94/261152794.db2.gz HRSKWOYHYXLUSD-VXGBXAGGSA-N 0 3 265.328 2.390 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050586 261152795 /nfs/dbraw/zinc/15/27/95/261152795.db2.gz HRSKWOYHYXLUSD-VXGBXAGGSA-N 0 3 265.328 2.390 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000183613922 261982316 /nfs/dbraw/zinc/98/23/16/261982316.db2.gz HFQRZEQSBQQIEK-VXGBXAGGSA-N 0 3 276.380 2.442 20 10 CECDHN COc1cc(Cl)cc(CN2CCC(CO)CC2)c1O ZINC000184677832 262026055 /nfs/dbraw/zinc/02/60/55/262026055.db2.gz MQTYVCACMJTMLH-UHFFFAOYSA-N 0 3 285.771 2.259 20 10 CECDHN COc1cc(Cl)cc(CN2CCC[C@H]2CO)c1O ZINC000184683502 262026096 /nfs/dbraw/zinc/02/60/96/262026096.db2.gz CGBASZPPZJIMSF-NSHDSACASA-N 0 3 271.744 2.011 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449730 262055296 /nfs/dbraw/zinc/05/52/96/262055296.db2.gz XNMHQZBCHUITAM-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000186090074 262078734 /nfs/dbraw/zinc/07/87/34/262078734.db2.gz UNIGSVFHUOHLCT-GFCCVEGCSA-N 0 3 297.420 2.176 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185467105 262304908 /nfs/dbraw/zinc/30/49/08/262304908.db2.gz RMQAWVNUUXPQNI-DOMZBBRYSA-N 0 3 267.369 2.139 20 10 CECDHN CCN(CCOCCO)Cc1ccc(N(CC)CC)cc1 ZINC000282695376 263078077 /nfs/dbraw/zinc/07/80/77/263078077.db2.gz JHZIHEXDHGCNIY-UHFFFAOYSA-N 0 3 294.439 2.364 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN2CCCC2(C)C)cc1 ZINC000298314337 263217858 /nfs/dbraw/zinc/21/78/58/263217858.db2.gz YUZMUXXLWQDETI-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN Cc1ccc(O)c(CN2CCN([C@H]3CCSC3)CC2)c1 ZINC000367535895 267098639 /nfs/dbraw/zinc/09/86/39/267098639.db2.gz NBJSJBYCUFBBEL-HNNXBMFYSA-N 0 3 292.448 2.324 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000367785881 267118109 /nfs/dbraw/zinc/11/81/09/267118109.db2.gz XEPVDVDTWKCWMC-CHWSQXEVSA-N 0 3 286.379 2.055 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@]12CCCO2 ZINC000368698221 267197970 /nfs/dbraw/zinc/19/79/70/267197970.db2.gz JUSAUTXFDFNCHY-BZUAXINKSA-N 0 3 295.354 2.348 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])CC12CCC2 ZINC000369650281 267257525 /nfs/dbraw/zinc/25/75/25/267257525.db2.gz UOLCZBSHKCFBEC-CYBMUJFWSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCC2 ZINC000369650281 267257528 /nfs/dbraw/zinc/25/75/28/267257528.db2.gz UOLCZBSHKCFBEC-CYBMUJFWSA-N 0 3 275.348 2.167 20 10 CECDHN CC[C@H]1CN(Cc2cccc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000370210472 267298977 /nfs/dbraw/zinc/29/89/77/267298977.db2.gz QEFFUGOZUBLGDK-DOTOQJQBSA-N 0 3 291.391 2.471 20 10 CECDHN COC(=O)[C@@H](C)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000370736265 267343169 /nfs/dbraw/zinc/34/31/69/267343169.db2.gz BZGNFRHPIOJUHC-ZDUSSCGKSA-N 0 3 288.391 2.261 20 10 CECDHN Cc1ccc(O)c(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1 ZINC000371383639 267397119 /nfs/dbraw/zinc/39/71/19/267397119.db2.gz OUUOPXXSWNYANU-OAHLLOKOSA-N 0 3 288.391 2.191 20 10 CECDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498660 267684304 /nfs/dbraw/zinc/68/43/04/267684304.db2.gz ZYPMJJNGZUFKNJ-RDJZCZTQSA-N 0 3 291.391 2.471 20 10 CECDHN CN(C)c1ccc(CN[C@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288644694 273821369 /nfs/dbraw/zinc/82/13/69/273821369.db2.gz UQTXRLBTSWFMGR-WMZOPIPTSA-N 0 3 298.386 2.337 20 10 CECDHN CCN(CC[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000297877846 276132263 /nfs/dbraw/zinc/13/22/63/276132263.db2.gz UWWXWLYGHKJGBE-AWEZNQCLSA-N 0 3 260.381 2.453 20 10 CECDHN COC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCCO1 ZINC000296591188 277599134 /nfs/dbraw/zinc/59/91/34/277599134.db2.gz WVTQBFHEPPNXDO-VNHYZAJKSA-N 0 3 277.364 2.163 20 10 CECDHN CCN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000297877848 279207172 /nfs/dbraw/zinc/20/71/72/279207172.db2.gz UWWXWLYGHKJGBE-CQSZACIVSA-N 0 3 260.381 2.453 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361196 327838584 /nfs/dbraw/zinc/83/85/84/327838584.db2.gz JPRDOMFKOVMFRJ-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CCN(C)C(=O)CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000186811923 327854751 /nfs/dbraw/zinc/85/47/51/327854751.db2.gz DCOYOCCLXPECAV-GFCCVEGCSA-N 0 3 290.407 2.400 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000271259450 327525923 /nfs/dbraw/zinc/52/59/23/327525923.db2.gz AJXZIYVRVQDTRB-RYUDHWBXSA-N 0 3 265.353 2.306 20 10 CECDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377881912 329033095 /nfs/dbraw/zinc/03/30/95/329033095.db2.gz AWGPCVGKHGSTRI-NSHDSACASA-N 0 3 275.327 2.254 20 10 CECDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377881912 329033096 /nfs/dbraw/zinc/03/30/96/329033096.db2.gz AWGPCVGKHGSTRI-NSHDSACASA-N 0 3 275.327 2.254 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000187343097 329355531 /nfs/dbraw/zinc/35/55/31/329355531.db2.gz GRBRRFOVURUJBQ-NFAWXSAZSA-N 0 3 263.337 2.058 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527746578 330280386 /nfs/dbraw/zinc/28/03/86/330280386.db2.gz VRYPCEKEUYRMKJ-LBPRGKRZSA-N 0 3 285.269 2.482 20 10 CECDHN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527802011 330284263 /nfs/dbraw/zinc/28/42/63/330284263.db2.gz YFIOVXJFYBNCOV-CABCVRRESA-N 0 3 279.336 2.167 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CCO)C(C)C)c1 ZINC000230664192 333320173 /nfs/dbraw/zinc/32/01/73/333320173.db2.gz NLTIHQNIFIVZBM-SMDDNHRTSA-N 0 3 267.369 2.458 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000228675837 522541207 /nfs/dbraw/zinc/54/12/07/522541207.db2.gz XORPAJGGBLCTNW-LLVKDONJSA-N 0 3 273.760 2.161 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@]12CCCO2 ZINC000272650468 520430510 /nfs/dbraw/zinc/43/05/10/520430510.db2.gz FKXSDGITPSEBCV-ARFHVFGLSA-N 0 3 277.364 2.208 20 10 CECDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447969 521138634 /nfs/dbraw/zinc/13/86/34/521138634.db2.gz ZJTGLHMHZCSTSR-UKRRQHHQSA-N 0 3 289.423 2.414 20 10 CECDHN CCC(O)(CC)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000087013937 521656363 /nfs/dbraw/zinc/65/63/63/521656363.db2.gz BZUKMNYSMSQFPY-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CC[C@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000280836603 522565884 /nfs/dbraw/zinc/56/58/84/522565884.db2.gz LMQZRDKUNONSFF-ZDUSSCGKSA-N 0 3 299.365 2.175 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccccc1[O-] ZINC000274896956 522946590 /nfs/dbraw/zinc/94/65/90/522946590.db2.gz KKEIOEODQYCGTR-GXTWGEPZSA-N 0 3 276.380 2.442 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2cccnc2OC)c1 ZINC000290975850 524752579 /nfs/dbraw/zinc/75/25/79/524752579.db2.gz SXTKWVDXBCOPBQ-UHFFFAOYSA-N 0 3 288.347 2.137 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290036105 524765016 /nfs/dbraw/zinc/76/50/16/524765016.db2.gz DEIUVXCYWVSRCT-GMTAPVOTSA-N 0 3 253.342 2.475 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nccnc2C)c1 ZINC000294853003 524768897 /nfs/dbraw/zinc/76/88/97/524768897.db2.gz BLRVBCRNOIVDLN-NSHDSACASA-N 0 3 287.363 2.393 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000278555457 524774674 /nfs/dbraw/zinc/77/46/74/524774674.db2.gz OVWIJGXDULEESA-MJVIPROJSA-N 0 3 265.353 2.476 20 10 CECDHN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000290131477 524784087 /nfs/dbraw/zinc/78/40/87/524784087.db2.gz JRGHPTUVKGRGTP-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000290131477 524784099 /nfs/dbraw/zinc/78/40/99/524784099.db2.gz JRGHPTUVKGRGTP-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290466441 525917837 /nfs/dbraw/zinc/91/78/37/525917837.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290466441 525917844 /nfs/dbraw/zinc/91/78/44/525917844.db2.gz NGVPPFVBGGCZOK-TZMCWYRMSA-N 0 3 278.396 2.173 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297385151 525937412 /nfs/dbraw/zinc/93/74/12/525937412.db2.gz RKLJQYVQGIUJOI-LSDHHAIUSA-N 0 3 292.423 2.198 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)CN(C)C(C)C)c1[O-] ZINC000289974393 526037562 /nfs/dbraw/zinc/03/75/62/526037562.db2.gz ZEDHMMROJUYRDH-GFCCVEGCSA-N 0 3 266.385 2.219 20 10 CECDHN Cn1cc(CNCc2ccc3c(c2)CCCN3C)cn1 ZINC000050286812 527218110 /nfs/dbraw/zinc/21/81/10/527218110.db2.gz VLTIOYVDTKEOIT-UHFFFAOYSA-N 0 3 270.380 2.092 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000063218153 527608218 /nfs/dbraw/zinc/60/82/18/527608218.db2.gz IQSMBJVFCKJXSZ-HNNXBMFYSA-N 0 3 257.333 2.085 20 10 CECDHN C[C@H](Cn1cncn1)NCc1ccc(N2CCCC2)cc1 ZINC000731451394 574596477 /nfs/dbraw/zinc/59/64/77/574596477.db2.gz YIMQTXFKOXRXHU-CQSZACIVSA-N 0 3 285.395 2.057 20 10 CECDHN O=C(c1cc([O-])cs1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000743711695 575109020 /nfs/dbraw/zinc/10/90/20/575109020.db2.gz CGXWDOSYAWHEKA-LBPRGKRZSA-N 0 3 294.420 2.402 20 10 CECDHN Nc1ccc(NC(=O)N2CCN(C3CCCC3)CC2)cc1 ZINC000052063964 625648189 /nfs/dbraw/zinc/64/81/89/625648189.db2.gz IDCQFVLHWDKGTE-UHFFFAOYSA-N 0 3 288.395 2.361 20 10 CECDHN Cc1nc([C@@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000894772156 629627192 /nfs/dbraw/zinc/62/71/92/629627192.db2.gz GJMSVAQHCRELGO-SNVBAGLBSA-N 0 3 260.341 2.286 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])[C@H]1OC ZINC000895851973 630376434 /nfs/dbraw/zinc/37/64/34/630376434.db2.gz LXDPXNDOBLEKBS-DZGBDDFRSA-N 0 3 265.353 2.235 20 10 CECDHN Cc1cccc(CNCc2cc(N(C)C)ccn2)c1O ZINC000896298001 630521335 /nfs/dbraw/zinc/52/13/35/630521335.db2.gz GQLXCIQBSZFPNB-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN COc1ccc(CN2CCO[C@H](C)CC2)c(O)c1OC ZINC000896572105 630600968 /nfs/dbraw/zinc/60/09/68/630600968.db2.gz DBKKFWFODXVHRS-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN CO[C@@]1(C[NH2+]Cc2c(C)cccc2[O-])CCSC1 ZINC000896573245 630601585 /nfs/dbraw/zinc/60/15/85/630601585.db2.gz LKRFHGSEVSXJLD-CQSZACIVSA-N 0 3 267.394 2.312 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000896958671 630845256 /nfs/dbraw/zinc/84/52/56/630845256.db2.gz MEAAEKKJHFDMET-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000896958671 630845262 /nfs/dbraw/zinc/84/52/62/630845262.db2.gz MEAAEKKJHFDMET-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN CSCC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)C ZINC000806661801 631762714 /nfs/dbraw/zinc/76/27/14/631762714.db2.gz FANUZANKVRTOGF-YPMHNXCESA-N 0 3 296.436 2.253 20 10 CECDHN C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([O-])cs1 ZINC000807694566 631862386 /nfs/dbraw/zinc/86/23/86/631862386.db2.gz MUTWFBFRGYSXIJ-QWRGUYRKSA-N 0 3 280.393 2.153 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230835 631938538 /nfs/dbraw/zinc/93/85/38/631938538.db2.gz RBAQYQOZOGFQKZ-BLLLJJGKSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230835 631938540 /nfs/dbraw/zinc/93/85/40/631938540.db2.gz RBAQYQOZOGFQKZ-BLLLJJGKSA-N 0 3 289.375 2.440 20 10 CECDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718547 632005215 /nfs/dbraw/zinc/00/52/15/632005215.db2.gz NRIMWCRNCKAJRQ-ONGXEEELSA-N 0 3 273.760 2.012 20 10 CECDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718541 632006031 /nfs/dbraw/zinc/00/60/31/632006031.db2.gz NRIMWCRNCKAJRQ-GXSJLCMTSA-N 0 3 273.760 2.012 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000815160154 632974914 /nfs/dbraw/zinc/97/49/14/632974914.db2.gz REFUBIURYZWWTE-XHDPSFHLSA-N 0 3 265.353 2.042 20 10 CECDHN Cn1c(=O)oc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc21 ZINC000816493156 633399740 /nfs/dbraw/zinc/39/97/40/633399740.db2.gz RGOUGFWJGIOEIP-UHFFFAOYSA-N 0 3 298.342 2.469 20 10 CECDHN Cn1c(=O)oc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc21 ZINC000816493156 633399746 /nfs/dbraw/zinc/39/97/46/633399746.db2.gz RGOUGFWJGIOEIP-UHFFFAOYSA-N 0 3 298.342 2.469 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@@H](NC(C)=O)C2)cc1 ZINC000817412806 633652104 /nfs/dbraw/zinc/65/21/04/633652104.db2.gz PNSHGFLJEANYGH-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817413146 633652592 /nfs/dbraw/zinc/65/25/92/633652592.db2.gz USJZTTXQUZTGMT-STQMWFEESA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817413146 633652594 /nfs/dbraw/zinc/65/25/94/633652594.db2.gz USJZTTXQUZTGMT-STQMWFEESA-N 0 3 279.380 2.241 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC3(CC[NH2+]3)CC2)c1[O-] ZINC000817879623 633750997 /nfs/dbraw/zinc/75/09/97/633750997.db2.gz DGISUMRDEGLXFH-UHFFFAOYSA-N 0 3 292.354 2.062 20 10 CECDHN C[C@H](CN)[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000817966422 633807650 /nfs/dbraw/zinc/80/76/50/633807650.db2.gz NLPVHLNKXCOHLC-HTQZYQBOSA-N 0 3 273.174 2.153 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971900 633815453 /nfs/dbraw/zinc/81/54/53/633815453.db2.gz QZHGFDAELJUULV-FOGDFJRCSA-N 0 3 252.333 2.322 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903343201 635071020 /nfs/dbraw/zinc/07/10/20/635071020.db2.gz NMUCIGPNYHIDTD-KBPBESRZSA-N 0 3 278.396 2.154 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c([O-])c1 ZINC000825183407 635587713 /nfs/dbraw/zinc/58/77/13/635587713.db2.gz MTOJXZPVGCJCNM-TZMCWYRMSA-N 0 3 265.353 2.042 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000825284627 635606979 /nfs/dbraw/zinc/60/69/79/635606979.db2.gz TWCRNMDJPDCGRK-DMDPSCGWSA-N 0 3 262.353 2.087 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000904431526 635626921 /nfs/dbraw/zinc/62/69/21/635626921.db2.gz VTTODHONYVXIFR-OAHLLOKOSA-N 0 3 264.344 2.249 20 10 CECDHN COc1cc(Cl)cc(CN2CCC3(COC3)C2)c1O ZINC000827642663 636373394 /nfs/dbraw/zinc/37/33/94/636373394.db2.gz AWAUBGNHFXRUPW-UHFFFAOYSA-N 0 3 283.755 2.277 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000827642663 636373396 /nfs/dbraw/zinc/37/33/96/636373396.db2.gz AWAUBGNHFXRUPW-UHFFFAOYSA-N 0 3 283.755 2.277 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC000827642663 636373397 /nfs/dbraw/zinc/37/33/97/636373397.db2.gz AWAUBGNHFXRUPW-UHFFFAOYSA-N 0 3 283.755 2.277 20 10 CECDHN C[C@@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1O ZINC000827936716 636463588 /nfs/dbraw/zinc/46/35/88/636463588.db2.gz AYZPMLQHZYLOLQ-JHJVBQTASA-N 0 3 276.380 2.442 20 10 CECDHN CC(C)(C(=O)NCc1ccccc1O)N1CCCCC1 ZINC000907055711 636929225 /nfs/dbraw/zinc/92/92/25/636929225.db2.gz HMTJKCIMCWIMPL-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN O=C(CC[NH2+][C@H]1CCc2cccc([O-])c21)Nc1ccccn1 ZINC000834541262 637859253 /nfs/dbraw/zinc/85/92/53/637859253.db2.gz SKZKOLNPMVMLJR-ZDUSSCGKSA-N 0 3 297.358 2.393 20 10 CECDHN CC(=O)N1CCC(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834570405 637872514 /nfs/dbraw/zinc/87/25/14/637872514.db2.gz GRISXXIFLJNKOF-HNNXBMFYSA-N 0 3 288.391 2.228 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000834575887 637876356 /nfs/dbraw/zinc/87/63/56/637876356.db2.gz PHUNMUDISQIDFU-HUUCEWRRSA-N 0 3 272.392 2.453 20 10 CECDHN C[C@H]1CCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834607288 637888966 /nfs/dbraw/zinc/88/89/66/637888966.db2.gz SOAICJUTTUJCBC-GXTWGEPZSA-N 0 3 260.381 2.453 20 10 CECDHN C[C@H]1CCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834607290 637889259 /nfs/dbraw/zinc/88/92/59/637889259.db2.gz SOAICJUTTUJCBC-JSGCOSHPSA-N 0 3 260.381 2.453 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC000876649795 650375949 /nfs/dbraw/zinc/37/59/49/650375949.db2.gz FWVIIGBTEFODEL-CYBMUJFWSA-N 0 3 276.380 2.178 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c([O-])c1 ZINC000876649795 650375954 /nfs/dbraw/zinc/37/59/54/650375954.db2.gz FWVIIGBTEFODEL-CYBMUJFWSA-N 0 3 276.380 2.178 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834765513 637943952 /nfs/dbraw/zinc/94/39/52/637943952.db2.gz NBSPOJUAWHELPH-VNHYZAJKSA-N 0 3 277.364 2.163 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834880467 637976639 /nfs/dbraw/zinc/97/66/39/637976639.db2.gz DGOAWIJTCQFXQU-DVOMOZLQSA-N 0 3 279.380 2.403 20 10 CECDHN CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834908861 637985104 /nfs/dbraw/zinc/98/51/04/637985104.db2.gz MJHMPXJNDGTMFB-IUODEOHRSA-N 0 3 262.353 2.102 20 10 CECDHN CN(C)c1ccc(/C=C\CN(C)[C@H]2CCOC2)cc1 ZINC000835029597 638030563 /nfs/dbraw/zinc/03/05/63/638030563.db2.gz XYSWOILLOKSPQD-AWFCHZOYSA-N 0 3 260.381 2.487 20 10 CECDHN CO[C@@H]1CN(C/C=C/c2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000835048034 638038491 /nfs/dbraw/zinc/03/84/91/638038491.db2.gz DROQCRACGFNEHX-WZDWLKHJSA-N 0 3 290.407 2.111 20 10 CECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876739058 650414545 /nfs/dbraw/zinc/41/45/45/650414545.db2.gz BWHHLHONAYGLCM-AWEZNQCLSA-N 0 3 295.402 2.271 20 10 CECDHN CC[C@@H](C(=O)N(C)c1ccc(N)cc1)N(CC)CC ZINC000877077957 639519119 /nfs/dbraw/zinc/51/91/19/639519119.db2.gz XATLKIAJDNTFNG-AWEZNQCLSA-N 0 3 263.385 2.352 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000840826558 639553493 /nfs/dbraw/zinc/55/34/93/639553493.db2.gz OCJPZGZVZCVYSX-JIMOISOXSA-N 0 3 285.771 2.418 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cccc(CO)c1 ZINC000226606614 639554983 /nfs/dbraw/zinc/55/49/83/639554983.db2.gz UMKSDOOUVRXNJU-UHFFFAOYSA-N 0 3 261.296 2.313 20 10 CECDHN CC[C@H]([NH2+]Cc1c([O-])cccc1OC)[C@@H](O)C(C)C ZINC000840966478 639604010 /nfs/dbraw/zinc/60/40/10/639604010.db2.gz GBWDDXLGQGAIQW-WFASDCNBSA-N 0 3 267.369 2.286 20 10 CECDHN CN(C)Cc1cnc(CNCCc2ccc(N)cc2)s1 ZINC000841038973 639628931 /nfs/dbraw/zinc/62/89/31/639628931.db2.gz WABZMRZDIVHIBH-UHFFFAOYSA-N 0 3 290.436 2.119 20 10 CECDHN CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000841044851 639631020 /nfs/dbraw/zinc/63/10/20/639631020.db2.gz ZEDVMYBIUXFPQZ-MRXNPFEDSA-N 0 3 285.391 2.248 20 10 CECDHN C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064419 639639625 /nfs/dbraw/zinc/63/96/25/639639625.db2.gz QGXHUGDSUQVUQS-JOYOIKCWSA-N 0 3 299.212 2.242 20 10 CECDHN COc1ccc(C[NH2+]C[C@@H]2CCSC2)c([O-])c1 ZINC000228554906 639642776 /nfs/dbraw/zinc/64/27/76/639642776.db2.gz TWYQFEFNLJKUHL-JTQLQIEISA-N 0 3 253.367 2.244 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2CCOCC2)c1[O-] ZINC000228671548 639651730 /nfs/dbraw/zinc/65/17/30/639651730.db2.gz CHUYGEUPMZZRNX-UHFFFAOYSA-N 0 3 271.744 2.323 20 10 CECDHN COC(=O)c1cc(C[NH2+]Cc2ccccc2[O-])[nH]c1C ZINC000876995267 650524193 /nfs/dbraw/zinc/52/41/93/650524193.db2.gz CZBSARSDDVVRBK-UHFFFAOYSA-N 0 3 274.320 2.105 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000877053714 650550972 /nfs/dbraw/zinc/55/09/72/650550972.db2.gz XGOZUBWJJMDYSF-LBPRGKRZSA-N 0 3 257.337 2.071 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCOC1CCOCC1 ZINC000877054388 650551012 /nfs/dbraw/zinc/55/10/12/650551012.db2.gz HOYWZKACJARVBW-UHFFFAOYSA-N 0 3 279.380 2.376 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046344 640251448 /nfs/dbraw/zinc/25/14/48/640251448.db2.gz XCUASCRFQZALRG-DOMZBBRYSA-N 0 3 278.371 2.495 20 10 CECDHN C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Cl)c1[O-] ZINC000843058521 640260863 /nfs/dbraw/zinc/26/08/63/640260863.db2.gz VBMSODVKMFUOCS-UWVGGRQHSA-N 0 3 254.761 2.215 20 10 CECDHN Cc1cc([O-])c(CN(C)C2CC([NH3+])C2)c(Cl)c1 ZINC000843124590 640291184 /nfs/dbraw/zinc/29/11/84/640291184.db2.gz CVFCAEHKCBBKEQ-UHFFFAOYSA-N 0 3 254.761 2.276 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000877132958 650588145 /nfs/dbraw/zinc/58/81/45/650588145.db2.gz SBUOCHRJQMMWKE-CJNGLKHVSA-N 0 3 277.364 2.128 20 10 CECDHN CCn1cncc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845971879 641142096 /nfs/dbraw/zinc/14/20/96/641142096.db2.gz NMGHCGNNCJDKOS-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN CCOc1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(O)c1 ZINC000846110307 641185650 /nfs/dbraw/zinc/18/56/50/641185650.db2.gz GLCOEFGBKBPGDS-TXEJJXNPSA-N 0 3 269.291 2.488 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC000846110307 641185655 /nfs/dbraw/zinc/18/56/55/641185655.db2.gz GLCOEFGBKBPGDS-TXEJJXNPSA-N 0 3 269.291 2.488 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC000846110307 641185660 /nfs/dbraw/zinc/18/56/60/641185660.db2.gz GLCOEFGBKBPGDS-TXEJJXNPSA-N 0 3 269.291 2.488 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H](CO)CCF)c2c1c(F)ccc2[O-] ZINC000846208770 641222958 /nfs/dbraw/zinc/22/29/58/641222958.db2.gz KYMFSHUSDDSEOP-KKZNHRDASA-N 0 3 271.307 2.390 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccc(C)cc1[O-] ZINC000846209380 641223114 /nfs/dbraw/zinc/22/31/14/641223114.db2.gz QSKNJFYUWJSZHP-DGCLKSJQSA-N 0 3 255.333 2.462 20 10 CECDHN C[C@H]([C@H](C)[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183498154 641753900 /nfs/dbraw/zinc/75/39/00/641753900.db2.gz DRWMFKZCMWEPPH-MELADBBJSA-N 0 3 278.396 2.152 20 10 CECDHN CCCN(C)CC(=O)NCCCSc1nccs1 ZINC000736680503 642235206 /nfs/dbraw/zinc/23/52/06/642235206.db2.gz MPIGNKWZFNNXKK-UHFFFAOYSA-N 0 3 287.454 2.083 20 10 CECDHN Cc1ccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000877491995 650748414 /nfs/dbraw/zinc/74/84/14/650748414.db2.gz DSZUPFDFAZHKHB-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877530924 650770988 /nfs/dbraw/zinc/77/09/88/650770988.db2.gz ZHXMNPPZZQTHBY-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877530924 650770990 /nfs/dbraw/zinc/77/09/90/650770990.db2.gz ZHXMNPPZZQTHBY-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000850386751 642694678 /nfs/dbraw/zinc/69/46/78/642694678.db2.gz ONAHYYVAHMQFJM-UHFFFAOYSA-N 0 3 277.364 2.042 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000850485103 642728833 /nfs/dbraw/zinc/72/88/33/642728833.db2.gz XESFUPZXZCFOKE-ZIBATOQPSA-N 0 3 283.343 2.233 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)CC1CC1)CC2 ZINC000850546420 642748270 /nfs/dbraw/zinc/74/82/70/642748270.db2.gz ZPSCJIIKKAXUTB-GXTWGEPZSA-N 0 3 261.365 2.378 20 10 CECDHN Cc1cncc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000850550695 642750149 /nfs/dbraw/zinc/75/01/49/642750149.db2.gz PJMWLAQFZZYNTL-CQSZACIVSA-N 0 3 269.348 2.310 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000877561297 650790352 /nfs/dbraw/zinc/79/03/52/650790352.db2.gz DRHDOALIHDQKHV-XHSDSOJGSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000877561297 650790354 /nfs/dbraw/zinc/79/03/54/650790354.db2.gz DRHDOALIHDQKHV-XHSDSOJGSA-N 0 3 291.391 2.062 20 10 CECDHN COC(OC)[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000922314046 643021453 /nfs/dbraw/zinc/02/14/53/643021453.db2.gz XTEHDTMWJXVULS-FMFIFOJESA-N 0 3 278.396 2.363 20 10 CECDHN Cc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c([O-])c1 ZINC000877631625 650823546 /nfs/dbraw/zinc/82/35/46/650823546.db2.gz LAJDCKBSFZTUIM-UHFFFAOYSA-N 0 3 261.365 2.341 20 10 CECDHN CCOc1ccc(C[NH2+]CC2CC3(C2)OCCO3)c([O-])c1 ZINC000922799547 643269098 /nfs/dbraw/zinc/26/90/98/643269098.db2.gz RERKAPAGPBKVTK-UHFFFAOYSA-N 0 3 293.363 2.034 20 10 CECDHN Cc1ccc(O)c(CNCc2cc3c(cn2)OCCO3)c1 ZINC000877652181 650834654 /nfs/dbraw/zinc/83/46/54/650834654.db2.gz DTJZQXRBPRRQEW-UHFFFAOYSA-N 0 3 286.331 2.157 20 10 CECDHN Cc1cc(CN(C)Cc2cnc[nH]2)ccc1N(C)C ZINC000852287790 643380124 /nfs/dbraw/zinc/38/01/24/643380124.db2.gz GBXBVXZYHATGPR-UHFFFAOYSA-N 0 3 258.369 2.416 20 10 CECDHN CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@@H](C)[C@H]2C)c1[O-] ZINC000923446331 643714560 /nfs/dbraw/zinc/71/45/60/643714560.db2.gz YGUGNBAIYUNQHQ-OUAUKWLOSA-N 0 3 294.370 2.305 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894861 644073100 /nfs/dbraw/zinc/07/31/00/644073100.db2.gz KNQPFHMZSYEWHP-DOTOQJQBSA-N 0 3 291.391 2.144 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894861 644073102 /nfs/dbraw/zinc/07/31/02/644073102.db2.gz KNQPFHMZSYEWHP-DOTOQJQBSA-N 0 3 291.391 2.144 20 10 CECDHN C[C@@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000877756292 650898945 /nfs/dbraw/zinc/89/89/45/650898945.db2.gz FMQPXHHMDRWOKI-GFCCVEGCSA-N 0 3 291.395 2.189 20 10 CECDHN C[C@@H]([NH2+]Cc1cnn2c1CCC2)c1ccccc1[O-] ZINC000877755994 650899310 /nfs/dbraw/zinc/89/93/10/650899310.db2.gz XGBNTKNCYPZDDY-LLVKDONJSA-N 0 3 257.337 2.386 20 10 CECDHN COc1cc(C)cc(CN2CCN(C(C)C)CC2)c1O ZINC000754724238 644420233 /nfs/dbraw/zinc/42/02/33/644420233.db2.gz RFSOBKWOEFEYKL-UHFFFAOYSA-N 0 3 278.396 2.235 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@H]2C)c([O-])c1 ZINC000756533049 644659897 /nfs/dbraw/zinc/65/98/97/644659897.db2.gz HOOHVXKISUMQMM-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756595488 644673201 /nfs/dbraw/zinc/67/32/01/644673201.db2.gz WCEWIJUZSCBAFR-CKYFFXLPSA-N 0 3 292.354 2.290 20 10 CECDHN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000756739754 644688279 /nfs/dbraw/zinc/68/82/79/644688279.db2.gz ZCFMOKQKCSATAM-JQWIXIFHSA-N 0 3 280.343 2.191 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000756737706 644688523 /nfs/dbraw/zinc/68/85/23/644688523.db2.gz YHBUYEVPZBZECC-FXPVBKGRSA-N 0 3 280.343 2.146 20 10 CECDHN Cc1ccc([C@@H](C)N[C@H](CO)c2ccnn2C)c(O)c1C ZINC000858435146 645158555 /nfs/dbraw/zinc/15/85/55/645158555.db2.gz XCFXLWMBDDBVHC-TZMCWYRMSA-N 0 3 289.379 2.127 20 10 CECDHN CC[C@@H](N[C@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435140 645158880 /nfs/dbraw/zinc/15/88/80/645158880.db2.gz WZJSMKNUUHLJHB-ZIAGYGMSSA-N 0 3 289.379 2.208 20 10 CECDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)F ZINC000858597211 645217391 /nfs/dbraw/zinc/21/73/91/645217391.db2.gz WWHCTDFYJQOOMW-LLVKDONJSA-N 0 3 270.323 2.166 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858601317 645217806 /nfs/dbraw/zinc/21/78/06/645217806.db2.gz DWJFXHLMSOVNAZ-AAEUAGOBSA-N 0 3 298.814 2.071 20 10 CECDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C1CCC1 ZINC000858602584 645218358 /nfs/dbraw/zinc/21/83/58/645218358.db2.gz CTAJPFPKYVFTEU-ZIAGYGMSSA-N 0 3 286.375 2.123 20 10 CECDHN CCCC[N@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859297391 645450250 /nfs/dbraw/zinc/45/02/50/645450250.db2.gz ZJCNBAYZXKFXAQ-UHFFFAOYSA-N 0 3 288.395 2.366 20 10 CECDHN CCCC[N@@H+](CCc1cn(C)nn1)Cc1ccccc1[O-] ZINC000859297391 645450252 /nfs/dbraw/zinc/45/02/52/645450252.db2.gz ZJCNBAYZXKFXAQ-UHFFFAOYSA-N 0 3 288.395 2.366 20 10 CECDHN CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450984 646124945 /nfs/dbraw/zinc/12/49/45/646124945.db2.gz KYMOPICSBJEAQF-BXUZGUMPSA-N 0 3 263.337 2.192 20 10 CECDHN CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450984 646124950 /nfs/dbraw/zinc/12/49/50/646124950.db2.gz KYMOPICSBJEAQF-BXUZGUMPSA-N 0 3 263.337 2.192 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000768518952 646134629 /nfs/dbraw/zinc/13/46/29/646134629.db2.gz JRIJIKBADOPYFK-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000768518952 646134632 /nfs/dbraw/zinc/13/46/32/646134632.db2.gz JRIJIKBADOPYFK-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+](C)CCCOC)c([O-])c1 ZINC000769138898 646213989 /nfs/dbraw/zinc/21/39/89/646213989.db2.gz CEKMVJCZCGXCMB-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CCCOC)c([O-])c1 ZINC000769138898 646213993 /nfs/dbraw/zinc/21/39/93/646213993.db2.gz CEKMVJCZCGXCMB-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCOC2)c([O-])c1 ZINC000769531624 646283893 /nfs/dbraw/zinc/28/38/93/646283893.db2.gz DPTDYVPYRIUDQC-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCOC2)c([O-])c1 ZINC000769531624 646283906 /nfs/dbraw/zinc/28/39/06/646283906.db2.gz DPTDYVPYRIUDQC-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN C[NH+](C)CCN(C(=O)c1cc([O-])cs1)C1CCCC1 ZINC000770402862 646388508 /nfs/dbraw/zinc/38/85/08/646388508.db2.gz WLPQZCLKQGGVHV-UHFFFAOYSA-N 0 3 282.409 2.400 20 10 CECDHN CCN(CC)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775408770 646951115 /nfs/dbraw/zinc/95/11/15/646951115.db2.gz BTEXGCZIXSODJB-CYBMUJFWSA-N 0 3 277.412 2.272 20 10 CECDHN CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[O-] ZINC000775499176 646960645 /nfs/dbraw/zinc/96/06/45/646960645.db2.gz PJOPINMQSJBBRM-HIFRSBDPSA-N 0 3 278.396 2.154 20 10 CECDHN Cc1cc(O)c(CNCc2ccnc(N(C)C)n2)cc1C ZINC000776497186 647066948 /nfs/dbraw/zinc/06/69/48/647066948.db2.gz QLBQKTOERFWZGH-UHFFFAOYSA-N 0 3 286.379 2.155 20 10 CECDHN CN(C)c1ccc(CNCc2cnc3c(cnn3C)c2)cc1 ZINC000865404518 647276809 /nfs/dbraw/zinc/27/68/09/647276809.db2.gz OFQDAMNOICVRKG-UHFFFAOYSA-N 0 3 295.390 2.324 20 10 CECDHN CC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121047216 647782196 /nfs/dbraw/zinc/78/21/96/647782196.db2.gz VANYEHGPQZVPBB-OAHLLOKOSA-N 0 3 277.364 2.352 20 10 CECDHN CC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000121047216 647782206 /nfs/dbraw/zinc/78/22/06/647782206.db2.gz VANYEHGPQZVPBB-OAHLLOKOSA-N 0 3 277.364 2.352 20 10 CECDHN CCOc1ccc(O)c(CN(CCOC)[C@H]2CCOC2)c1 ZINC000787334223 648100876 /nfs/dbraw/zinc/10/08/76/648100876.db2.gz HCFUUNRNALQJNJ-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000793258907 648732504 /nfs/dbraw/zinc/73/25/04/648732504.db2.gz QAPYXCXPBQMYJQ-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000793260080 648733403 /nfs/dbraw/zinc/73/34/03/648733403.db2.gz XQGNINBJIPGBDS-UHFFFAOYSA-N 0 3 294.738 2.445 20 10 CECDHN CO[C@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCOC1 ZINC000123157466 648826367 /nfs/dbraw/zinc/82/63/67/648826367.db2.gz DRQKFDKWMQODBT-DOMZBBRYSA-N 0 3 265.353 2.157 20 10 CECDHN CC(C)[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647863 651335110 /nfs/dbraw/zinc/33/51/10/651335110.db2.gz OJJGDLXXJCJBLO-NWDGAFQWSA-N 0 3 264.369 2.204 20 10 CECDHN CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651966 651336048 /nfs/dbraw/zinc/33/60/48/651336048.db2.gz RDYNGXPJHOKLML-RYUDHWBXSA-N 0 3 264.369 2.348 20 10 CECDHN CCOc1cccc(C[N@H+](C)C2CCOCC2)c1[O-] ZINC000132326661 652513765 /nfs/dbraw/zinc/51/37/65/652513765.db2.gz RELZGDUAHAZBDX-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C2CCOCC2)c1[O-] ZINC000132326661 652513771 /nfs/dbraw/zinc/51/37/71/652513771.db2.gz RELZGDUAHAZBDX-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN O=C(OCCC[NH+]1CCCCC1)c1cc([O-])cs1 ZINC000800164716 652669350 /nfs/dbraw/zinc/66/93/50/652669350.db2.gz DNFCOCLKKXESAN-UHFFFAOYSA-N 0 3 269.366 2.487 20 10 CECDHN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000135127523 652935566 /nfs/dbraw/zinc/93/55/66/652935566.db2.gz JCUYZZLMGUIEQJ-ZDUSSCGKSA-N 0 3 277.412 2.272 20 10 CECDHN CN(C)c1ccc(CN2C[C@H](N)[C@@H](F)C2)c2ccccc21 ZINC001204892017 806669296 /nfs/dbraw/zinc/66/92/96/806669296.db2.gz UHIVHLCWTLFMTE-HOTGVXAUSA-N 0 3 287.382 2.387 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC001140057733 802549894 /nfs/dbraw/zinc/54/98/94/802549894.db2.gz LJOAXTFMIMDZBC-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC001140057733 802549900 /nfs/dbraw/zinc/54/99/00/802549900.db2.gz LJOAXTFMIMDZBC-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723543904 802884548 /nfs/dbraw/zinc/88/45/48/802884548.db2.gz BIMSUAIZIKDSEO-OLZOCXBDSA-N 0 3 276.380 2.220 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723545749 802884621 /nfs/dbraw/zinc/88/46/21/802884621.db2.gz KUPDQAUYKDMVJQ-GXTWGEPZSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])CC1(C)OCCO1 ZINC000715907678 815005024 /nfs/dbraw/zinc/00/50/24/815005024.db2.gz IJNFTIUWDCNUEN-LLVKDONJSA-N 0 3 283.343 2.410 20 10 CECDHN CCN1CCC[C@@H](NCc2ccc(OC)c(C)c2)C1=O ZINC000722361600 804382696 /nfs/dbraw/zinc/38/26/96/804382696.db2.gz NOZNCTGDUCIWIV-CQSZACIVSA-N 0 3 276.380 2.104 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C(=O)C1)c1ccccc1[O-] ZINC001172003193 815261300 /nfs/dbraw/zinc/26/13/00/815261300.db2.gz SQVVFLJUQZVSDN-VXGBXAGGSA-N 0 3 274.364 2.196 20 10 CECDHN COc1ccc(C[NH2+]C2CCC(OC)CC2)c([O-])c1 ZINC000703831152 809695861 /nfs/dbraw/zinc/69/58/61/809695861.db2.gz CLDIAOYVTGCXQS-UHFFFAOYSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291738 809817833 /nfs/dbraw/zinc/81/78/33/809817833.db2.gz SAEMOLVLXQAZOH-VXGBXAGGSA-N 0 3 261.369 2.104 20 10 CECDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])CO1 ZINC000711220639 810050451 /nfs/dbraw/zinc/05/04/51/810050451.db2.gz UKTNMKBOMIAIQA-NWDGAFQWSA-N 0 3 251.326 2.058 20 10 CECDHN C[C@@H](O)CCCNCc1cc(F)c(N(C)C)cc1F ZINC001118804515 810369045 /nfs/dbraw/zinc/36/90/45/810369045.db2.gz MJBFTGNCMNFQSC-SNVBAGLBSA-N 0 3 272.339 2.281 20 10 CECDHN CC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC001169580918 811589099 /nfs/dbraw/zinc/58/90/99/811589099.db2.gz ZZWPPQWLTCLDSK-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN C[NH2+]C1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000383669100 813106377 /nfs/dbraw/zinc/10/63/77/813106377.db2.gz NSXYWNQBHZEVKJ-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000389071620 813247256 /nfs/dbraw/zinc/24/72/56/813247256.db2.gz MINGBMOHPYURNX-YPMHNXCESA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000391464451 813286058 /nfs/dbraw/zinc/28/60/58/813286058.db2.gz BMYHGXNTUHXPSM-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN C/C=C(\NC=[NH2+])NCc1cc(Br)ccc1[O-] ZINC001171174253 814051399 /nfs/dbraw/zinc/05/13/99/814051399.db2.gz OIAYVRNRKNNBFE-FUQNDXKWSA-N 0 3 284.157 2.302 20 10 CECDHN CCC[N@@H+](Cc1c([O-])cc(O)cc1O)CC1CC1 ZINC001144499810 814089483 /nfs/dbraw/zinc/08/94/83/814089483.db2.gz JSBIUKUXJPEIFN-UHFFFAOYSA-N 0 3 251.326 2.425 20 10 CECDHN CCC[N@H+](Cc1c([O-])cc(O)cc1O)CC1CC1 ZINC001144499810 814089488 /nfs/dbraw/zinc/08/94/88/814089488.db2.gz JSBIUKUXJPEIFN-UHFFFAOYSA-N 0 3 251.326 2.425 20 10 CECDHN Cc1cc(CN2CC3(C2)CCOC3)ccc1N(C)C ZINC001139669726 815625458 /nfs/dbraw/zinc/62/54/58/815625458.db2.gz KBRBIMOKCNRISL-UHFFFAOYSA-N 0 3 260.381 2.283 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137840245 815695562 /nfs/dbraw/zinc/69/55/62/815695562.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137840245 815695565 /nfs/dbraw/zinc/69/55/65/815695565.db2.gz UKTRTTVWNATNAY-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CC[N@H+](C)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140060067 816180971 /nfs/dbraw/zinc/18/09/71/816180971.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[N@@H+](C)C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC001140060067 816180975 /nfs/dbraw/zinc/18/09/75/816180975.db2.gz JQUJSHWBASSKGV-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[NH+]1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@@H]2C1 ZINC001140342571 816237387 /nfs/dbraw/zinc/23/73/87/816237387.db2.gz PPSBTMVCOXYMST-RYUDHWBXSA-N 0 3 280.799 2.429 20 10 CECDHN CCOC(=O)[C@H]1CN(Cc2cc(C)ccc2O)CCS1 ZINC001140623655 816307082 /nfs/dbraw/zinc/30/70/82/816307082.db2.gz OGDNSUYQDOJOGG-CQSZACIVSA-N 0 3 295.404 2.181 20 10 CECDHN CCN(CC)c1ccc(CN(C)CC(OC)OC)c(O)c1 ZINC001140855476 816382450 /nfs/dbraw/zinc/38/24/50/816382450.db2.gz AQXSVKZQGMOJNM-UHFFFAOYSA-N 0 3 296.411 2.289 20 10 CECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140957733 816426726 /nfs/dbraw/zinc/42/67/26/816426726.db2.gz MAFJZJBZGLDYLV-QEJZJMRPSA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140957733 816426727 /nfs/dbraw/zinc/42/67/27/816426727.db2.gz MAFJZJBZGLDYLV-QEJZJMRPSA-N 0 3 289.375 2.474 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001141027185 816448946 /nfs/dbraw/zinc/44/89/46/816448946.db2.gz QDYBVCHWYVVTIA-OUJBWJOFSA-N 0 3 281.327 2.342 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c(OC)c1 ZINC001141027185 816448951 /nfs/dbraw/zinc/44/89/51/816448951.db2.gz QDYBVCHWYVVTIA-OUJBWJOFSA-N 0 3 281.327 2.342 20 10 CECDHN CCO[C@H]1CCC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028456 816451116 /nfs/dbraw/zinc/45/11/16/816451116.db2.gz PEMRRUOTTSDOHV-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN CCO[C@H]1CCC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028456 816451120 /nfs/dbraw/zinc/45/11/20/816451120.db2.gz PEMRRUOTTSDOHV-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[NH+]2CC3CC(C3)C2)c(OC)c1 ZINC001141030825 816451627 /nfs/dbraw/zinc/45/16/27/816451627.db2.gz MPJUFYBEAHVMOY-UHFFFAOYSA-N 0 3 263.337 2.251 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032372 816452676 /nfs/dbraw/zinc/45/26/76/816452676.db2.gz ZVOVOZYTMLOUHA-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032372 816452686 /nfs/dbraw/zinc/45/26/86/816452686.db2.gz ZVOVOZYTMLOUHA-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN CCC[N@H+](CCOC)Cc1c([O-])cc(OC)cc1OC ZINC001141031758 816452964 /nfs/dbraw/zinc/45/29/64/816452964.db2.gz JXTXQYRCGBGLSS-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN CCC[N@@H+](CCOC)Cc1c([O-])cc(OC)cc1OC ZINC001141031758 816452968 /nfs/dbraw/zinc/45/29/68/816452968.db2.gz JXTXQYRCGBGLSS-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c(OC)c1 ZINC001141032319 816453189 /nfs/dbraw/zinc/45/31/89/816453189.db2.gz XYSZINKVQTVDMG-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@H]2CO)c(OC)c1 ZINC001141032319 816453190 /nfs/dbraw/zinc/45/31/90/816453190.db2.gz XYSZINKVQTVDMG-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN CCN(C)c1ccc(CN2CCN3C[C@@H](F)C[C@H]3C2)cc1 ZINC001176777116 816470980 /nfs/dbraw/zinc/47/09/80/816470980.db2.gz ICMKIWDGXCRLHI-RDJZCZTQSA-N 0 3 291.414 2.371 20 10 CECDHN CC(C)(C)OC(=O)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141159459 816490873 /nfs/dbraw/zinc/49/08/73/816490873.db2.gz GUNNPLPLCJECDW-LLVKDONJSA-N 0 3 293.363 2.261 20 10 CECDHN CCOC(=O)C1(C)CCN(Cc2cc(O)ccc2O)CC1 ZINC001141160227 816492456 /nfs/dbraw/zinc/49/24/56/816492456.db2.gz UMNRMYGWQIZRKK-UHFFFAOYSA-N 0 3 293.363 2.263 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCSC1 ZINC000125020569 365664104 /nfs/dbraw/zinc/66/41/04/365664104.db2.gz LFHMHVWIAHKVMF-SNVBAGLBSA-N 0 3 267.350 2.058 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCSC1 ZINC000125020569 365664106 /nfs/dbraw/zinc/66/41/06/365664106.db2.gz LFHMHVWIAHKVMF-SNVBAGLBSA-N 0 3 267.350 2.058 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000038013798 361981956 /nfs/dbraw/zinc/98/19/56/361981956.db2.gz WBNQLECLHJQAIT-RYUDHWBXSA-N 0 3 264.369 2.348 20 10 CECDHN COCCCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185553709 344509146 /nfs/dbraw/zinc/50/91/46/344509146.db2.gz NDSSJVKDYUQFFB-CQSZACIVSA-N 0 3 280.412 2.320 20 10 CECDHN CN1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000218321218 344536288 /nfs/dbraw/zinc/53/62/88/344536288.db2.gz MKOZRHXNQWCFFY-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000019913466 361567165 /nfs/dbraw/zinc/56/71/65/361567165.db2.gz FCORAOABMNDNAX-UHFFFAOYSA-N 0 3 285.343 2.496 20 10 CECDHN CC(C)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000089729016 363996405 /nfs/dbraw/zinc/99/64/05/363996405.db2.gz ROMNGQXXKAVRHQ-XJKSGUPXSA-N 0 3 289.423 2.413 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000089636713 363986180 /nfs/dbraw/zinc/98/61/80/363986180.db2.gz OSRWJNDJKVYKHV-OLZOCXBDSA-N 0 3 298.452 2.226 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092456642 364077841 /nfs/dbraw/zinc/07/78/41/364077841.db2.gz TZBSKXVFCHPAQG-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092456642 364077848 /nfs/dbraw/zinc/07/78/48/364077848.db2.gz TZBSKXVFCHPAQG-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000160232049 366985446 /nfs/dbraw/zinc/98/54/46/366985446.db2.gz RCHTZWXHCFFSDK-CYBMUJFWSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000160232049 366985452 /nfs/dbraw/zinc/98/54/52/366985452.db2.gz RCHTZWXHCFFSDK-CYBMUJFWSA-N 0 3 264.344 2.201 20 10 CECDHN Cc1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000180405470 368379636 /nfs/dbraw/zinc/37/96/36/368379636.db2.gz PWTCZOVXKKHIMG-GFCCVEGCSA-N 0 3 275.270 2.200 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000188110273 369298957 /nfs/dbraw/zinc/29/89/57/369298957.db2.gz PROSPMZMKCZJPE-MFKMUULPSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000188110273 369298963 /nfs/dbraw/zinc/29/89/63/369298963.db2.gz PROSPMZMKCZJPE-MFKMUULPSA-N 0 3 281.327 2.162 20 10 CECDHN Cc1cccc(C[C@@H](CO)[NH2+]Cc2ccccc2[O-])c1 ZINC000189017245 369444716 /nfs/dbraw/zinc/44/47/16/369444716.db2.gz CALVMWRCGSQHGB-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN CCN(Cc1cccc(C)c1O)C[C@H](O)C(F)(F)F ZINC000189862868 369574013 /nfs/dbraw/zinc/57/40/13/369574013.db2.gz APMQVKMEGKVJPN-NSHDSACASA-N 0 3 277.286 2.446 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191718080 369735969 /nfs/dbraw/zinc/73/59/69/369735969.db2.gz TWZZLCLOUUVPCQ-PWSUYJOCSA-N 0 3 269.772 2.414 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191718080 369735973 /nfs/dbraw/zinc/73/59/73/369735973.db2.gz TWZZLCLOUUVPCQ-PWSUYJOCSA-N 0 3 269.772 2.414 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCCCO)c1 ZINC000223738880 370269867 /nfs/dbraw/zinc/26/98/67/370269867.db2.gz KVUQWDAJAAKXGS-NSHDSACASA-N 0 3 253.342 2.214 20 10 CECDHN COc1cccc(CN2CCS[C@H]3COCC[C@H]32)c1O ZINC000246779267 371008708 /nfs/dbraw/zinc/00/87/08/371008708.db2.gz QCXHNQYGNVSMGD-OCCSQVGLSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246779267 371008714 /nfs/dbraw/zinc/00/87/14/371008714.db2.gz QCXHNQYGNVSMGD-OCCSQVGLSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000246779267 371008717 /nfs/dbraw/zinc/00/87/17/371008717.db2.gz QCXHNQYGNVSMGD-OCCSQVGLSA-N 0 3 295.404 2.107 20 10 CECDHN C[C@@H](NCCF)c1ccc(N2CCOCC2)cc1 ZINC000271767144 373201694 /nfs/dbraw/zinc/20/16/94/373201694.db2.gz FCWCTVFDAKLVGX-GFCCVEGCSA-N 0 3 252.333 2.143 20 10 CECDHN CN(C)c1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1F ZINC000272322534 373428217 /nfs/dbraw/zinc/42/82/17/373428217.db2.gz IRCLUYIBASXTLJ-KBPBESRZSA-N 0 3 266.360 2.141 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272261104 373393480 /nfs/dbraw/zinc/39/34/80/373393480.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1 ZINC000272261104 373393489 /nfs/dbraw/zinc/39/34/89/373393489.db2.gz ARCLJNKWMYBRKH-ZFWWWQNUSA-N 0 3 260.381 2.227 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@]12CCCO2 ZINC000272650470 373599029 /nfs/dbraw/zinc/59/90/29/373599029.db2.gz FKXSDGITPSEBCV-BZUAXINKSA-N 0 3 277.364 2.208 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1C ZINC000273379298 373753134 /nfs/dbraw/zinc/75/31/34/373753134.db2.gz HVOUXOVEEPISAC-DZGCQCFKSA-N 0 3 292.423 2.380 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000273383853 373754025 /nfs/dbraw/zinc/75/40/25/373754025.db2.gz IVOFPZIJKWOLMX-DGCLKSJQSA-N 0 3 298.814 2.153 20 10 CECDHN COC[C@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-])OC ZINC000273392635 373755291 /nfs/dbraw/zinc/75/52/91/373755291.db2.gz DVWMDEMKMATAON-OLZOCXBDSA-N 0 3 267.369 2.321 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c([O-])c1C ZINC000273411839 373755774 /nfs/dbraw/zinc/75/57/74/373755774.db2.gz PVMRHEGWJAZVOF-TZMCWYRMSA-N 0 3 276.380 2.328 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1C ZINC000273444045 373757042 /nfs/dbraw/zinc/75/70/42/373757042.db2.gz ZJXMTRKCGDBIJT-CHWSQXEVSA-N 0 3 297.420 2.094 20 10 CECDHN C[C@@H]([NH2+]CC1=CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502077 373759618 /nfs/dbraw/zinc/75/96/18/373759618.db2.gz QHHQSXDOIWPELX-LLVKDONJSA-N 0 3 291.351 2.213 20 10 CECDHN CCc1nc([C@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000273546611 373763024 /nfs/dbraw/zinc/76/30/24/373763024.db2.gz ZLKFYBXBTYUZEW-UWVGGRQHSA-N 0 3 290.367 2.493 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1C ZINC000273555396 373764188 /nfs/dbraw/zinc/76/41/88/373764188.db2.gz GUCYPLAFKLUZET-DOMZBBRYSA-N 0 3 289.379 2.127 20 10 CECDHN CN1CCc2cc(CNCC3=CCCOC3)ccc21 ZINC000372360416 374106639 /nfs/dbraw/zinc/10/66/39/374106639.db2.gz RQRLDRPJEZMESG-UHFFFAOYSA-N 0 3 258.365 2.115 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COCC ZINC000282519609 375504880 /nfs/dbraw/zinc/50/48/80/375504880.db2.gz SZBKLJVGBGJNOY-OAHLLOKOSA-N 0 3 281.396 2.392 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COCC ZINC000282519609 375504885 /nfs/dbraw/zinc/50/48/85/375504885.db2.gz SZBKLJVGBGJNOY-OAHLLOKOSA-N 0 3 281.396 2.392 20 10 CECDHN CCC[C@@]1([NH2+]Cc2cccc(OC)c2[O-])CCOC1 ZINC000285429774 375838631 /nfs/dbraw/zinc/83/86/31/375838631.db2.gz HIAKHWPWIRDNGV-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN CCC[C@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCOC1 ZINC000285564405 375840196 /nfs/dbraw/zinc/84/01/96/375840196.db2.gz RULSCZLUDWUEHX-HNNXBMFYSA-N 0 3 279.336 2.170 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000289222351 376388868 /nfs/dbraw/zinc/38/88/68/376388868.db2.gz AAPFSUOCZCGCTC-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000289222351 376388873 /nfs/dbraw/zinc/38/88/73/376388873.db2.gz AAPFSUOCZCGCTC-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN CC(C)[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000294147461 377918999 /nfs/dbraw/zinc/91/89/99/377918999.db2.gz VFXFLUUFLPTUMO-MRXNPFEDSA-N 0 3 293.363 2.368 20 10 CECDHN CC(C)[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000294147461 377919005 /nfs/dbraw/zinc/91/90/05/377919005.db2.gz VFXFLUUFLPTUMO-MRXNPFEDSA-N 0 3 293.363 2.368 20 10 CECDHN CC(C)[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000294147461 377919011 /nfs/dbraw/zinc/91/90/11/377919011.db2.gz VFXFLUUFLPTUMO-MRXNPFEDSA-N 0 3 293.363 2.368 20 10 CECDHN CS[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295086264 378040255 /nfs/dbraw/zinc/04/02/55/378040255.db2.gz QZOVSRIRRKULCW-SNVBAGLBSA-N 0 3 267.350 2.058 20 10 CECDHN CS[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295086264 378040258 /nfs/dbraw/zinc/04/02/58/378040258.db2.gz QZOVSRIRRKULCW-SNVBAGLBSA-N 0 3 267.350 2.058 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@@H]2COC[C@H]2O)cc1 ZINC000295607301 378233819 /nfs/dbraw/zinc/23/38/19/378233819.db2.gz NNWGQVPFGAWBIZ-IAGOWNOFSA-N 0 3 292.423 2.162 20 10 CECDHN O=C1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C2(CCC2)N1 ZINC000296299581 378482715 /nfs/dbraw/zinc/48/27/15/378482715.db2.gz DOJKPZLYZKAWPW-GXTWGEPZSA-N 0 3 286.375 2.170 20 10 CECDHN CCN(CC)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000298705715 378807764 /nfs/dbraw/zinc/80/77/64/378807764.db2.gz IRBMFMRUZBQXMN-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN Cc1cccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1[O-] ZINC000529676382 380183205 /nfs/dbraw/zinc/18/32/05/380183205.db2.gz IYKGSRQIZZYXOO-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)cc1OC ZINC000529669296 380183605 /nfs/dbraw/zinc/18/36/05/380183605.db2.gz LFVLHDGEGBIABT-CVEARBPZSA-N 0 3 295.379 2.455 20 10 CECDHN COc1cc(O)c(CN[C@@H]2C[C@]2(C)OC(C)C)cc1OC ZINC000529669296 380183610 /nfs/dbraw/zinc/18/36/10/380183610.db2.gz LFVLHDGEGBIABT-CVEARBPZSA-N 0 3 295.379 2.455 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)c([O-])c1 ZINC000185194346 262301871 /nfs/dbraw/zinc/30/18/71/262301871.db2.gz FCJLHLQTPWNDEP-GFCCVEGCSA-N 0 3 264.369 2.220 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)C[C@@H](C)O)c1 ZINC000185521190 262306001 /nfs/dbraw/zinc/30/60/01/262306001.db2.gz UREYOKZFOMPGCO-UTUOFQBUSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@H](O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092969093 394664304 /nfs/dbraw/zinc/66/43/04/394664304.db2.gz DBVHFUDQDRCOKG-ZDUSSCGKSA-N 0 3 262.397 2.345 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840295 394669546 /nfs/dbraw/zinc/66/95/46/394669546.db2.gz GZHVBEFBSYBSTM-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840295 394669547 /nfs/dbraw/zinc/66/95/47/394669547.db2.gz GZHVBEFBSYBSTM-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CO[C@H](C)[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269057617 394710095 /nfs/dbraw/zinc/71/00/95/394710095.db2.gz WYMMUZPULDSVRQ-GHMZBOCLSA-N 0 3 254.349 2.405 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000361991777 394840612 /nfs/dbraw/zinc/84/06/12/394840612.db2.gz PQHASEMUANLNGA-OAHLLOKOSA-N 0 3 283.375 2.446 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CSCCS2)c1[O-] ZINC000125227395 394842507 /nfs/dbraw/zinc/84/25/07/394842507.db2.gz MDFNAFPLUJAHDN-LLVKDONJSA-N 0 3 285.434 2.339 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000362240325 394849676 /nfs/dbraw/zinc/84/96/76/394849676.db2.gz VEDDMMDRWNNPNZ-BLLLJJGKSA-N 0 3 293.363 2.067 20 10 CECDHN Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2[O-])c1 ZINC000134227821 394957189 /nfs/dbraw/zinc/95/71/89/394957189.db2.gz ULHQEXISGQXJJU-OAHLLOKOSA-N 0 3 287.359 2.230 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)[C@H]2CCOC2)c1[O-] ZINC000135213519 394963484 /nfs/dbraw/zinc/96/34/84/394963484.db2.gz MFLDAFWLCXNSQP-YPMHNXCESA-N 0 3 265.353 2.306 20 10 CECDHN O[C@H]1c2ccccc2OC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000288528432 395062368 /nfs/dbraw/zinc/06/23/68/395062368.db2.gz JYASRZLQXVCRQN-YJBOKZPZSA-N 0 3 297.354 2.206 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@@H]2Cn2ccnn2)cc1 ZINC000373918981 395068249 /nfs/dbraw/zinc/06/82/49/395068249.db2.gz TYMAUFYXMFLILW-QGZVFWFLSA-N 0 3 299.422 2.399 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000158095658 395037708 /nfs/dbraw/zinc/03/77/08/395037708.db2.gz DQTDTKIGGNESNT-UHFFFAOYSA-N 0 3 292.379 2.411 20 10 CECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1C ZINC000177900588 395158544 /nfs/dbraw/zinc/15/85/44/395158544.db2.gz FRBRFIUXISJAAR-ZIAGYGMSSA-N 0 3 289.423 2.099 20 10 CECDHN CC[C@H](N[C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874428 395158141 /nfs/dbraw/zinc/15/81/41/395158141.db2.gz XQXTVNCGSRXIQD-HOTGVXAUSA-N 0 3 289.423 2.462 20 10 CECDHN Cc1cc(CN2CCC(CO)CC2)ccc1N(C)C ZINC000293362594 395231302 /nfs/dbraw/zinc/23/13/02/395231302.db2.gz FDSMGNWGACKPOR-UHFFFAOYSA-N 0 3 262.397 2.265 20 10 CECDHN COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000182211152 395237046 /nfs/dbraw/zinc/23/70/46/395237046.db2.gz TXJUGXQBSNDNRX-CQSZACIVSA-N 0 3 287.787 2.231 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000182346034 395240629 /nfs/dbraw/zinc/24/06/29/395240629.db2.gz KYDMPVGVCOTKHC-GFCCVEGCSA-N 0 3 292.379 2.064 20 10 CECDHN CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)CO ZINC000293556656 395240705 /nfs/dbraw/zinc/24/07/05/395240705.db2.gz FPUULRVCQTVSJY-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)CO ZINC000293556656 395240710 /nfs/dbraw/zinc/24/07/10/395240710.db2.gz FPUULRVCQTVSJY-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN Oc1ccccc1CN1CCN(c2ccccc2O)CC1 ZINC000179552464 395195714 /nfs/dbraw/zinc/19/57/14/395195714.db2.gz XHZKKSTUEYKGIR-UHFFFAOYSA-N 0 3 284.359 2.420 20 10 CECDHN COCCN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000296224413 395312872 /nfs/dbraw/zinc/31/28/72/395312872.db2.gz ZYDBFXKJJGOWGL-HNNXBMFYSA-N 0 3 290.407 2.080 20 10 CECDHN COCCOCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000020192278 171058048 /nfs/dbraw/zinc/05/80/48/171058048.db2.gz DWAXDNZPTDWLGM-GFCCVEGCSA-N 0 3 283.368 2.105 20 10 CECDHN Cc1cccc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c1 ZINC000662467262 415853634 /nfs/dbraw/zinc/85/36/34/415853634.db2.gz BYNKTDOBBSVIRX-LBPRGKRZSA-N 0 3 284.363 2.072 20 10 CECDHN C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(O)c1[O-] ZINC000126208859 260346620 /nfs/dbraw/zinc/34/66/20/260346620.db2.gz CCBAXFVCWISDJD-GFCCVEGCSA-N 0 3 292.379 2.092 20 10 CECDHN C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(O)c1[O-] ZINC000126208859 260346621 /nfs/dbraw/zinc/34/66/21/260346621.db2.gz CCBAXFVCWISDJD-GFCCVEGCSA-N 0 3 292.379 2.092 20 10 CECDHN C[C@H](NCCOCCO)c1ccc(N2CCCCC2)cc1 ZINC000159172298 261180042 /nfs/dbraw/zinc/18/00/42/261180042.db2.gz TVYGNZQSZPYGEO-HNNXBMFYSA-N 0 3 292.423 2.336 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000367437328 262028107 /nfs/dbraw/zinc/02/81/07/262028107.db2.gz INHNPHHGCOZIJU-PZSREKOKSA-N 0 3 288.391 2.408 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088328 262079030 /nfs/dbraw/zinc/07/90/30/262079030.db2.gz DJRSHICQWRIMAP-VXGBXAGGSA-N 0 3 274.364 2.115 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000186089050 262079307 /nfs/dbraw/zinc/07/93/07/262079307.db2.gz UEPULYAPHJGNFC-RYUDHWBXSA-N 0 3 274.364 2.115 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185467068 262305084 /nfs/dbraw/zinc/30/50/84/262305084.db2.gz RMQAWVNUUXPQNI-IUODEOHRSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000289747475 263111745 /nfs/dbraw/zinc/11/17/45/263111745.db2.gz IXYBAMXOKHHGOB-JTQLQIEISA-N 0 3 256.777 2.394 20 10 CECDHN C[C@@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290447298 263116819 /nfs/dbraw/zinc/11/68/19/263116819.db2.gz MDLVDIYCGNXUMM-INIZCTEOSA-N 0 3 293.363 2.248 20 10 CECDHN C[C@@]1(CCCO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290447298 263116820 /nfs/dbraw/zinc/11/68/20/263116820.db2.gz MDLVDIYCGNXUMM-INIZCTEOSA-N 0 3 293.363 2.248 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000367439292 267090359 /nfs/dbraw/zinc/09/03/59/267090359.db2.gz SUJSMJIWSNDOLB-UOWOHEGISA-N 0 3 292.354 2.239 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(C1)CCCOC3)OCO2 ZINC000368497153 267177312 /nfs/dbraw/zinc/17/73/12/267177312.db2.gz WAEBMVSZOYLFNU-MRXNPFEDSA-N 0 3 291.347 2.123 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCCOC3)OCO2 ZINC000368497153 267177316 /nfs/dbraw/zinc/17/73/16/267177316.db2.gz WAEBMVSZOYLFNU-MRXNPFEDSA-N 0 3 291.347 2.123 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H]3COC[C@H]32)cc1OC ZINC000369215898 267226134 /nfs/dbraw/zinc/22/61/34/267226134.db2.gz RSJBJCKAXSJJEU-WCQYABFASA-N 0 3 293.363 2.020 20 10 CECDHN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296436045 278539263 /nfs/dbraw/zinc/53/92/63/278539263.db2.gz MITBVVJTRXGBIJ-GZBFAFLISA-N 0 3 293.407 2.127 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCC(=O)N2CCCCC2)c1 ZINC000113324034 327786148 /nfs/dbraw/zinc/78/61/48/327786148.db2.gz SVFFLBOPMBBVGN-UHFFFAOYSA-N 0 3 276.380 2.193 20 10 CECDHN CC[C@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1[O-] ZINC000287308371 328250694 /nfs/dbraw/zinc/25/06/94/328250694.db2.gz DWIWNAICPGEOSX-AWEZNQCLSA-N 0 3 279.380 2.365 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295138052 327609044 /nfs/dbraw/zinc/60/90/44/327609044.db2.gz ZBSIGHAPTSRBBK-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000378493530 329053004 /nfs/dbraw/zinc/05/30/04/329053004.db2.gz IKTORLKYUDAGKQ-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000378493530 329053006 /nfs/dbraw/zinc/05/30/06/329053006.db2.gz IKTORLKYUDAGKQ-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCCn2cccn2)c1[O-] ZINC000228670752 329059045 /nfs/dbraw/zinc/05/90/45/329059045.db2.gz CMIHPYNRADCJQU-UHFFFAOYSA-N 0 3 295.770 2.431 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000180168976 329218202 /nfs/dbraw/zinc/21/82/02/329218202.db2.gz WFQUMSLNMJGFTI-YWXMQNBFSA-N 0 3 265.328 2.124 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000180168976 329218204 /nfs/dbraw/zinc/21/82/04/329218204.db2.gz WFQUMSLNMJGFTI-YWXMQNBFSA-N 0 3 265.328 2.124 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000224858740 333226685 /nfs/dbraw/zinc/22/66/85/333226685.db2.gz MFMNRSGEMFCTTK-AWEZNQCLSA-N 0 3 279.361 2.286 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC000233250864 333350506 /nfs/dbraw/zinc/35/05/06/333350506.db2.gz ASPZFZFUHZSSLB-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC000233250864 333350507 /nfs/dbraw/zinc/35/05/07/333350507.db2.gz ASPZFZFUHZSSLB-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CO[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1OC ZINC000234840030 333362591 /nfs/dbraw/zinc/36/25/91/333362591.db2.gz SGBMMSJILMZXCB-CALCHBBNSA-N 0 3 287.359 2.391 20 10 CECDHN CO[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)C[C@@H]1OC ZINC000234840030 333362592 /nfs/dbraw/zinc/36/25/92/333362592.db2.gz SGBMMSJILMZXCB-CALCHBBNSA-N 0 3 287.359 2.391 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000280939315 519553168 /nfs/dbraw/zinc/55/31/68/519553168.db2.gz IQTDKULOWHSPQL-TZMCWYRMSA-N 0 3 276.380 2.301 20 10 CECDHN CC(C)[C@@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000129675920 519788733 /nfs/dbraw/zinc/78/87/33/519788733.db2.gz YKSYHIODDPQBHB-INIZCTEOSA-N 0 3 291.439 2.297 20 10 CECDHN CCN(C)C(=O)CN[C@H](C)c1ccc(C)c(C)c1O ZINC000274748899 520175760 /nfs/dbraw/zinc/17/57/60/520175760.db2.gz AENPNYDHHVXFAH-GFCCVEGCSA-N 0 3 264.369 2.138 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NCC(F)F)cc1 ZINC000280759208 520285481 /nfs/dbraw/zinc/28/54/81/520285481.db2.gz FICHIBYKWKDWAI-LLVKDONJSA-N 0 3 299.365 2.175 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2COC[C@@H]2OC)cc1 ZINC000290311680 520286941 /nfs/dbraw/zinc/28/69/41/520286941.db2.gz ZVTWRWXYVSXHGR-KCXAZCMYSA-N 0 3 278.396 2.207 20 10 CECDHN CCCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248146098 520396632 /nfs/dbraw/zinc/39/66/32/520396632.db2.gz VXZYOFUKHUZFFG-UHFFFAOYSA-N 0 3 291.439 2.443 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275862323 521343896 /nfs/dbraw/zinc/34/38/96/521343896.db2.gz JELGDTUHUAQCFB-CQSZACIVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000275862323 521343909 /nfs/dbraw/zinc/34/39/09/521343909.db2.gz JELGDTUHUAQCFB-CQSZACIVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)c1[O-] ZINC000274965492 521374183 /nfs/dbraw/zinc/37/41/83/521374183.db2.gz VFQNHEVUTMQPNM-IVMMDQJWSA-N 0 3 295.379 2.073 20 10 CECDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281719269 521929964 /nfs/dbraw/zinc/92/99/64/521929964.db2.gz UMIBUXRSBGOTPD-SWLSCSKDSA-N 0 3 293.407 2.319 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000275945409 522535378 /nfs/dbraw/zinc/53/53/78/522535378.db2.gz IQZBAJDGVZLTPC-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000275945409 522535366 /nfs/dbraw/zinc/53/53/66/522535366.db2.gz IQZBAJDGVZLTPC-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccccc1[O-] ZINC000274931800 522717661 /nfs/dbraw/zinc/71/76/61/522717661.db2.gz RAHCNESVELSBJS-HIFRSBDPSA-N 0 3 278.396 2.154 20 10 CECDHN COCCC[N@H+](CCOC)Cc1cc(C)c(C)cc1[O-] ZINC000068963700 523256276 /nfs/dbraw/zinc/25/62/76/523256276.db2.gz IRXOFIMVWSECOG-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1cc(C)c(C)cc1[O-] ZINC000068963700 523256282 /nfs/dbraw/zinc/25/62/82/523256282.db2.gz IRXOFIMVWSECOG-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN COc1ccc(CNCCC(=O)NC(C)C)cc1C ZINC000042225399 524069716 /nfs/dbraw/zinc/06/97/16/524069716.db2.gz FXBCPOJWCBNIIW-UHFFFAOYSA-N 0 3 264.369 2.008 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291192791 524405694 /nfs/dbraw/zinc/40/56/94/524405694.db2.gz GUUSFKLOIHIOBM-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291192791 524405698 /nfs/dbraw/zinc/40/56/98/524405698.db2.gz GUUSFKLOIHIOBM-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c(=O)n1C ZINC000279513640 524590701 /nfs/dbraw/zinc/59/07/01/524590701.db2.gz NTQARQARFLSHBD-NSHDSACASA-N 0 3 290.338 2.389 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCc2cnn(C)c2)cc1C ZINC000266173784 525324061 /nfs/dbraw/zinc/32/40/61/525324061.db2.gz DGYSOLFLANHXQP-UHFFFAOYSA-N 0 3 259.353 2.075 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290527306 525342252 /nfs/dbraw/zinc/34/22/52/525342252.db2.gz QJKHOFIXOVQCOG-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000290527306 525342262 /nfs/dbraw/zinc/34/22/62/525342262.db2.gz QJKHOFIXOVQCOG-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN COc1cccc(CNCc2cnc(C)s2)c1O ZINC000040997388 526025682 /nfs/dbraw/zinc/02/56/82/526025682.db2.gz VEZRWQHZKKBRRL-UHFFFAOYSA-N 0 3 264.350 2.456 20 10 CECDHN Cc1nnc(CCNCc2ccc(N(C)C)c(F)c2)s1 ZINC000289896202 526329389 /nfs/dbraw/zinc/32/93/89/526329389.db2.gz QSMALZZJOFBSIA-UHFFFAOYSA-N 0 3 294.399 2.384 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291166877 526349675 /nfs/dbraw/zinc/34/96/75/526349675.db2.gz DCNYKDJAUBWRFZ-CYBMUJFWSA-N 0 3 261.300 2.175 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291166877 526349683 /nfs/dbraw/zinc/34/96/83/526349683.db2.gz DCNYKDJAUBWRFZ-CYBMUJFWSA-N 0 3 261.300 2.175 20 10 CECDHN CCCN(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000730098923 574501719 /nfs/dbraw/zinc/50/17/19/574501719.db2.gz SGZWVQHJNDIIGA-UHFFFAOYSA-N 0 3 289.423 2.027 20 10 CECDHN CCOc1ccc(O)c(CNC2COC(C)(C)OC2)c1 ZINC000758009865 574514486 /nfs/dbraw/zinc/51/44/86/574514486.db2.gz BOBAOPQASNUXMI-UHFFFAOYSA-N 0 3 281.352 2.032 20 10 CECDHN COc1cccc(O)c1CNC[C@@H](OC)C(F)(F)F ZINC000733330225 574665050 /nfs/dbraw/zinc/66/50/50/574665050.db2.gz SVTVGKNLSVJGGK-LLVKDONJSA-N 0 3 279.258 2.068 20 10 CECDHN CN(C)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738227715 574855066 /nfs/dbraw/zinc/85/50/66/574855066.db2.gz OMPATSILXQTHCA-CYBMUJFWSA-N 0 3 285.391 2.324 20 10 CECDHN CN(C)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738227715 574855068 /nfs/dbraw/zinc/85/50/68/574855068.db2.gz OMPATSILXQTHCA-CYBMUJFWSA-N 0 3 285.391 2.324 20 10 CECDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000743499718 575105653 /nfs/dbraw/zinc/10/56/53/575105653.db2.gz PVTZIAQXPLAPAF-CMPLNLGQSA-N 0 3 281.352 2.008 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCCC1 ZINC000743869827 575111713 /nfs/dbraw/zinc/11/17/13/575111713.db2.gz BRROQKFUYWNFOL-MRXNPFEDSA-N 0 3 292.423 2.061 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN1CCCC1 ZINC000743869827 575111714 /nfs/dbraw/zinc/11/17/14/575111714.db2.gz BRROQKFUYWNFOL-MRXNPFEDSA-N 0 3 292.423 2.061 20 10 CECDHN CCOc1ccc(C[NH2+]CCN2CC[C@H](C)C2)c([O-])c1 ZINC000744450043 575121558 /nfs/dbraw/zinc/12/15/58/575121558.db2.gz JPICRHACBLDCMR-ZDUSSCGKSA-N 0 3 278.396 2.222 20 10 CECDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cc([O-])cs1 ZINC000751392378 575287997 /nfs/dbraw/zinc/28/79/97/575287997.db2.gz XFWWQVSRIWFFSF-JTQLQIEISA-N 0 3 268.382 2.058 20 10 CECDHN CN1CCCc2cc(CNCc3cn[nH]c3)ccc21 ZINC000050286729 623385867 /nfs/dbraw/zinc/38/58/67/623385867.db2.gz VQUKSNYEICCPLX-UHFFFAOYSA-N 0 3 256.353 2.082 20 10 CECDHN CC1(C)C[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000088138004 623968003 /nfs/dbraw/zinc/96/80/03/623968003.db2.gz ULDVGIGFJRWXHK-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN(C)C2CC[NH2+]CC2)c1[O-] ZINC000050158760 624603235 /nfs/dbraw/zinc/60/32/35/624603235.db2.gz HOFMSMSEIIVRKU-UHFFFAOYSA-N 0 3 296.798 2.432 20 10 CECDHN C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000235159163 624931682 /nfs/dbraw/zinc/93/16/82/624931682.db2.gz LASYZQPRNFXXOK-NSHDSACASA-N 0 3 280.368 2.395 20 10 CECDHN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(F)ccc1[O-] ZINC000310981737 628342202 /nfs/dbraw/zinc/34/22/02/628342202.db2.gz RDOYJVOZTCVHEH-OTYXRUKQSA-N 0 3 253.317 2.343 20 10 CECDHN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000894003500 629083669 /nfs/dbraw/zinc/08/36/69/629083669.db2.gz LTSKINZNXPDJIB-ZDUSSCGKSA-N 0 3 282.334 2.339 20 10 CECDHN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000894003500 629083671 /nfs/dbraw/zinc/08/36/71/629083671.db2.gz LTSKINZNXPDJIB-ZDUSSCGKSA-N 0 3 282.334 2.339 20 10 CECDHN COc1cc(C)cc(CN[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000894205294 629208789 /nfs/dbraw/zinc/20/87/89/629208789.db2.gz WPSSDBSWIDZPGL-LLVKDONJSA-N 0 3 294.395 2.102 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCC2(O)CCOCC2)c([O-])c1 ZINC000797031875 630109732 /nfs/dbraw/zinc/10/97/32/630109732.db2.gz LBVDMVZJBDLASS-ZDUSSCGKSA-N 0 3 279.380 2.283 20 10 CECDHN COc1cc(C)cc(CN[C@@H](C)[C@H](O)C(F)(F)F)c1O ZINC000895445709 630194750 /nfs/dbraw/zinc/19/47/50/630194750.db2.gz VVFGARGLGGIPIC-UFBFGSQYSA-N 0 3 293.285 2.111 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccccc1F ZINC000895749924 630328884 /nfs/dbraw/zinc/32/88/84/630328884.db2.gz VMQBBVJJLKHRQU-AWEZNQCLSA-N 0 3 293.313 2.364 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000896125353 630474183 /nfs/dbraw/zinc/47/41/83/630474183.db2.gz QYBBGUUHLWSGTH-NEPJUHHUSA-N 0 3 263.337 2.132 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896586196 630605126 /nfs/dbraw/zinc/60/51/26/630605126.db2.gz XEFYOSZBPCQRFL-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCO[C@H](C)CC1 ZINC000896586196 630605128 /nfs/dbraw/zinc/60/51/28/630605128.db2.gz XEFYOSZBPCQRFL-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN CCN1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637150 630620505 /nfs/dbraw/zinc/62/05/05/630620505.db2.gz KACCXIITBQQTQZ-UHFFFAOYSA-N 0 3 252.333 2.105 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2COCC2(C)C)c([O-])c1 ZINC000825090906 635564801 /nfs/dbraw/zinc/56/48/01/635564801.db2.gz MQZHOMYFVMXVRB-CQSZACIVSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCNC1=O ZINC000897870973 631953324 /nfs/dbraw/zinc/95/33/24/631953324.db2.gz DGVRUXFDMAUDJR-SFHVURJKSA-N 0 3 296.370 2.427 20 10 CECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3[O-])[C@@H]2C1 ZINC000808445185 631964485 /nfs/dbraw/zinc/96/44/85/631964485.db2.gz AIIWYUARLCKPMM-XHSDSOJGSA-N 0 3 288.391 2.129 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@H]1NCc1cccc(Br)c1[O-] ZINC000841059186 632362213 /nfs/dbraw/zinc/36/22/13/632362213.db2.gz MPMXXDGPMDAIRH-BXKDBHETSA-N 0 3 299.212 2.242 20 10 CECDHN CCO[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000926964905 632394677 /nfs/dbraw/zinc/39/46/77/632394677.db2.gz YLBKQACHFCQRAQ-AAEUAGOBSA-N 0 3 284.375 2.149 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCO[C@@H]2CCOC2)c([O-])c1 ZINC000927079115 632447818 /nfs/dbraw/zinc/44/78/18/632447818.db2.gz DMCMBUJNOGEORA-QWHCGFSZSA-N 0 3 265.353 2.157 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCO[C@H]2CCOC2)c([O-])c1 ZINC000927079114 632448309 /nfs/dbraw/zinc/44/83/09/632448309.db2.gz DMCMBUJNOGEORA-OLZOCXBDSA-N 0 3 265.353 2.157 20 10 CECDHN CCc1cccc(CN2CCCNC(=O)[C@H]2CC)c1O ZINC000898547953 632534066 /nfs/dbraw/zinc/53/40/66/632534066.db2.gz NTPVUOKVDKRRFJ-CQSZACIVSA-N 0 3 276.380 2.055 20 10 CECDHN COc1ccc(O)c(CNCc2cnn(CC(F)F)c2)c1 ZINC000814291240 632822035 /nfs/dbraw/zinc/82/20/35/632822035.db2.gz FSDYICYJXHWDPI-UHFFFAOYSA-N 0 3 297.305 2.152 20 10 CECDHN COCCN(Cc1ccc(N(C)C)c(C)c1)[C@H]1CCOC1 ZINC000815104332 632960761 /nfs/dbraw/zinc/96/07/61/632960761.db2.gz IDUVJEHEXDAZPJ-INIZCTEOSA-N 0 3 292.423 2.298 20 10 CECDHN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(C)cc1[O-] ZINC000817584972 633701428 /nfs/dbraw/zinc/70/14/28/633701428.db2.gz BSTNKXQHABSDQR-CYBMUJFWSA-N 0 3 276.380 2.397 20 10 CECDHN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817944641 633792187 /nfs/dbraw/zinc/79/21/87/633792187.db2.gz ITGPZNDRANZWLK-ZYHUDNBSSA-N 0 3 254.761 2.448 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CNCCCO1)c1cccc(Cl)c1[O-] ZINC000817982979 633826936 /nfs/dbraw/zinc/82/69/36/633826936.db2.gz XEXHYKCQMOBKFN-SMDDNHRTSA-N 0 3 298.814 2.465 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1cc(N)ccn1 ZINC000903953205 635386518 /nfs/dbraw/zinc/38/65/18/635386518.db2.gz CHJNCZZVYRNMTM-UHFFFAOYSA-N 0 3 270.380 2.328 20 10 CECDHN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000824854551 635512359 /nfs/dbraw/zinc/51/23/59/635512359.db2.gz UXTIKMWVVDAVSN-OLZOCXBDSA-N 0 3 263.337 2.214 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CC(F)F)cc1 ZINC000827340732 636299494 /nfs/dbraw/zinc/29/94/94/636299494.db2.gz JLHYIYDULSERFN-CYBMUJFWSA-N 0 3 299.365 2.132 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000827365023 636304201 /nfs/dbraw/zinc/30/42/01/636304201.db2.gz IZRLVYWALDFTEY-CHWSQXEVSA-N 0 3 297.782 2.447 20 10 CECDHN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000827687401 636391708 /nfs/dbraw/zinc/39/17/08/636391708.db2.gz PZCASAGFQVUIRT-AWEZNQCLSA-N 0 3 276.380 2.129 20 10 CECDHN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000827687401 636391713 /nfs/dbraw/zinc/39/17/13/636391713.db2.gz PZCASAGFQVUIRT-AWEZNQCLSA-N 0 3 276.380 2.129 20 10 CECDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1O ZINC000827941442 636465248 /nfs/dbraw/zinc/46/52/48/636465248.db2.gz RWXXZUXPDDOZFY-LLVKDONJSA-N 0 3 262.353 2.054 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876556630 650324972 /nfs/dbraw/zinc/32/49/72/650324972.db2.gz VGQSCSISLFDTLS-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876556630 650324975 /nfs/dbraw/zinc/32/49/75/650324975.db2.gz VGQSCSISLFDTLS-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620983 637892922 /nfs/dbraw/zinc/89/29/22/637892922.db2.gz ZTXMVVSAOPZDTH-CHWSQXEVSA-N 0 3 269.348 2.250 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808242 637956896 /nfs/dbraw/zinc/95/68/96/637956896.db2.gz YPFPJXSCJCUKFI-YPMHNXCESA-N 0 3 269.348 2.250 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c([O-])c1 ZINC000834850584 637970574 /nfs/dbraw/zinc/97/05/74/637970574.db2.gz NCWNNQVIZSXWPL-HUUCEWRRSA-N 0 3 292.423 2.198 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834880657 637977046 /nfs/dbraw/zinc/97/70/46/637977046.db2.gz ASQCXFWDNHIMPA-LALPHHSUSA-N 0 3 265.353 2.094 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876657933 650382712 /nfs/dbraw/zinc/38/27/12/650382712.db2.gz LQRBGGIIWRHYQQ-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876657933 650382717 /nfs/dbraw/zinc/38/27/17/650382717.db2.gz LQRBGGIIWRHYQQ-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN COC(=O)[C@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026669 638031334 /nfs/dbraw/zinc/03/13/34/638031334.db2.gz ZNQYMTYFASCBQE-RGDDUWESSA-N 0 3 288.391 2.261 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044566 638036012 /nfs/dbraw/zinc/03/60/12/638036012.db2.gz MCTZHOGYEZIRFW-NHZBNJEXSA-N 0 3 299.418 2.119 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000835086401 638057377 /nfs/dbraw/zinc/05/73/77/638057377.db2.gz GZYPSBKLUHZFLQ-RISCZKNCSA-N 0 3 265.353 2.448 20 10 CECDHN COCCOC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876725751 650411357 /nfs/dbraw/zinc/41/13/57/650411357.db2.gz PDHDSYRIOJEAEM-UHFFFAOYSA-N 0 3 279.380 2.328 20 10 CECDHN CC[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000156368198 639346229 /nfs/dbraw/zinc/34/62/29/639346229.db2.gz YOOBBVQPEKGPGU-ZBFHGGJFSA-N 0 3 279.380 2.222 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccccc1[O-] ZINC000156382799 639348030 /nfs/dbraw/zinc/34/80/30/639348030.db2.gz RAMRENSWCTXHIL-YPMHNXCESA-N 0 3 285.409 2.256 20 10 CECDHN CCCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000156962315 639406148 /nfs/dbraw/zinc/40/61/48/639406148.db2.gz YPPNJHZMJKAMIX-UHFFFAOYSA-N 0 3 279.403 2.419 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000226610551 639556033 /nfs/dbraw/zinc/55/60/33/639556033.db2.gz IJVDEINIRJSCSD-ZDUSSCGKSA-N 0 3 267.325 2.416 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)C[S@@](C)=O ZINC000840940082 639593737 /nfs/dbraw/zinc/59/37/37/639593737.db2.gz VEMLYRNYDOYCSN-ORAYPTAESA-N 0 3 282.453 2.260 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000840977486 639607859 /nfs/dbraw/zinc/60/78/59/639607859.db2.gz ITGMYBZXFRAUDA-NWDGAFQWSA-N 0 3 265.353 2.042 20 10 CECDHN Nc1ccc(CCNCc2nccn2CC(F)(F)F)cc1 ZINC000841035199 639626188 /nfs/dbraw/zinc/62/61/88/639626188.db2.gz LEJFHXQZDCPEIK-UHFFFAOYSA-N 0 3 298.312 2.360 20 10 CECDHN NC1(C[NH2+]Cc2cccc(F)c2[O-])CCCCC1 ZINC000841039140 639628757 /nfs/dbraw/zinc/62/87/57/639628757.db2.gz CABNKVFRIMICEA-UHFFFAOYSA-N 0 3 252.333 2.283 20 10 CECDHN Cc1cc([O-])c(CN[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841043811 639631313 /nfs/dbraw/zinc/63/13/13/639631313.db2.gz WTFLYKHZEHVFIL-JTQLQIEISA-N 0 3 254.761 2.196 20 10 CECDHN [NH3+][C@@H](CNCc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841050618 639632964 /nfs/dbraw/zinc/63/29/64/639632964.db2.gz JFROKPSJYNDBDA-JTQLQIEISA-N 0 3 258.724 2.012 20 10 CECDHN C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc(Br)c1[O-] ZINC000841066218 639640580 /nfs/dbraw/zinc/64/05/80/639640580.db2.gz YKNXIXSCCYUILA-CABZTGNLSA-N 0 3 299.212 2.385 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C(OC)OC)c1[O-] ZINC000229052151 639674320 /nfs/dbraw/zinc/67/43/20/639674320.db2.gz PKJPNNBISPFFHP-MRVPVSSYSA-N 0 3 289.759 2.151 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccc(OC)c(O)c2)c([O-])c1 ZINC000171134463 639702203 /nfs/dbraw/zinc/70/22/03/639702203.db2.gz BIFPHFHXOUHATG-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCN1CCCCC1=O ZINC000877022645 650534557 /nfs/dbraw/zinc/53/45/57/650534557.db2.gz OXTPSPSVGALJCV-UHFFFAOYSA-N 0 3 276.380 2.193 20 10 CECDHN COc1ncncc1CNCCCSc1nccs1 ZINC000842683651 640149114 /nfs/dbraw/zinc/14/91/14/640149114.db2.gz QBMXHRMYOHFQID-UHFFFAOYSA-N 0 3 296.421 2.214 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000842776761 640179639 /nfs/dbraw/zinc/17/96/39/640179639.db2.gz ZRIBUOZRXZLGSO-CMPLNLGQSA-N 0 3 251.326 2.058 20 10 CECDHN [O-]c1c(F)cccc1C[N@H+](C1CC1)C1CCNCC1 ZINC000843044182 640249418 /nfs/dbraw/zinc/24/94/18/640249418.db2.gz WRUVIJPSWWZMGJ-UHFFFAOYSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1c(F)cccc1C[N@@H+](C1CC1)C1CCNCC1 ZINC000843044182 640249422 /nfs/dbraw/zinc/24/94/22/640249422.db2.gz WRUVIJPSWWZMGJ-UHFFFAOYSA-N 0 3 264.344 2.248 20 10 CECDHN Cc1ccc(C[NH2+]CCNc2ccccn2)c([O-])c1 ZINC000877149098 650596038 /nfs/dbraw/zinc/59/60/38/650596038.db2.gz FBYSPKRHOONDNF-UHFFFAOYSA-N 0 3 257.337 2.297 20 10 CECDHN Cc1cccc([O-])c1C[N@H+](C)CCc1cnccn1 ZINC000877171775 650609467 /nfs/dbraw/zinc/60/94/67/650609467.db2.gz KWGONVTUDUMOTP-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+](C)CCc1cnccn1 ZINC000877171775 650609469 /nfs/dbraw/zinc/60/94/69/650609469.db2.gz KWGONVTUDUMOTP-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877323471 650676051 /nfs/dbraw/zinc/67/60/51/650676051.db2.gz PHEITDSTJSQNEF-NEPJUHHUSA-N 0 3 265.353 2.378 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000848569088 642058313 /nfs/dbraw/zinc/05/83/13/642058313.db2.gz BUIQXLRKZMCVDE-SKDRFNHKSA-N 0 3 294.326 2.165 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848572800 642060520 /nfs/dbraw/zinc/06/05/20/642060520.db2.gz VXORELFWNIOTTA-WCQYABFASA-N 0 3 290.363 2.334 20 10 CECDHN Cc1cc([O-])c(CN[C@@H](C[NH3+])C(F)(F)F)c(Cl)c1 ZINC000848714533 642109615 /nfs/dbraw/zinc/10/96/15/642109615.db2.gz QKGRIKYDXXZXNZ-JTQLQIEISA-N 0 3 282.693 2.333 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929456 642199491 /nfs/dbraw/zinc/19/94/91/642199491.db2.gz XAZQGQVMFGMLGV-SECBINFHSA-N 0 3 285.771 2.399 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929456 642199495 /nfs/dbraw/zinc/19/94/95/642199495.db2.gz XAZQGQVMFGMLGV-SECBINFHSA-N 0 3 285.771 2.399 20 10 CECDHN CC(C)NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849027672 642240869 /nfs/dbraw/zinc/24/08/69/642240869.db2.gz CQRLFPOQXQMNBA-UHFFFAOYSA-N 0 3 286.173 2.177 20 10 CECDHN CCO[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000771935086 642252532 /nfs/dbraw/zinc/25/25/32/642252532.db2.gz KTWSIRJLSPGUBZ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCO[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000771935086 642252538 /nfs/dbraw/zinc/25/25/38/642252538.db2.gz KTWSIRJLSPGUBZ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000877474962 650738682 /nfs/dbraw/zinc/73/86/82/650738682.db2.gz AWAJCAQUNSHZIS-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000877474962 650738687 /nfs/dbraw/zinc/73/86/87/650738687.db2.gz AWAJCAQUNSHZIS-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN COc1ccc(N2CC[C@@H](N[C@H](C)c3cnccn3)C2)cc1 ZINC000849322131 642327073 /nfs/dbraw/zinc/32/70/73/642327073.db2.gz OAVDFYRBYYNSGQ-ZIAGYGMSSA-N 0 3 298.390 2.415 20 10 CECDHN NC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCC1 ZINC000849350284 642340792 /nfs/dbraw/zinc/34/07/92/642340792.db2.gz WTSPVNALTRXPPV-UHFFFAOYSA-N 0 3 299.758 2.315 20 10 CECDHN Cc1ccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c1 ZINC000877491997 650748467 /nfs/dbraw/zinc/74/84/67/650748467.db2.gz DSZUPFDFAZHKHB-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495551 650750774 /nfs/dbraw/zinc/75/07/74/650750774.db2.gz YLSTWCCXUIPOEA-WMLDXEAASA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc(O)c1CN(CCCO)Cc1ccccn1 ZINC000877527164 650768259 /nfs/dbraw/zinc/76/82/59/650768259.db2.gz POSNLTZEZOXWFY-UHFFFAOYSA-N 0 3 286.375 2.480 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000877543735 650778764 /nfs/dbraw/zinc/77/87/64/650778764.db2.gz FXWJYBKSBLVQDB-ZDUSSCGKSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000877543735 650778768 /nfs/dbraw/zinc/77/87/68/650778768.db2.gz FXWJYBKSBLVQDB-ZDUSSCGKSA-N 0 3 257.337 2.344 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850548539 642749461 /nfs/dbraw/zinc/74/94/61/642749461.db2.gz UVCUXHXHNYTAJS-ONGXEEELSA-N 0 3 296.342 2.367 20 10 CECDHN C[N@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000109773238 642926007 /nfs/dbraw/zinc/92/60/07/642926007.db2.gz CXQVCPBZNCZEOU-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN C[N@@H+](CCC(=O)NC1CCCC1)Cc1ccccc1[O-] ZINC000109773238 642926012 /nfs/dbraw/zinc/92/60/12/642926012.db2.gz CXQVCPBZNCZEOU-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN Cc1ccc(C[NH2+]CCc2cncc(C)n2)c([O-])c1 ZINC000877633127 650825191 /nfs/dbraw/zinc/82/51/91/650825191.db2.gz ANAVIBFFFADQAP-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000877636725 650827436 /nfs/dbraw/zinc/82/74/36/650827436.db2.gz HDAZWVVMIIAEJA-OAHLLOKOSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000877636725 650827438 /nfs/dbraw/zinc/82/74/38/650827438.db2.gz HDAZWVVMIIAEJA-OAHLLOKOSA-N 0 3 290.407 2.437 20 10 CECDHN COc1ncc(CNCc2cc(C)ccc2O)s1 ZINC000877652154 650834750 /nfs/dbraw/zinc/83/47/50/650834750.db2.gz COPCMPXIECXUOU-UHFFFAOYSA-N 0 3 264.350 2.456 20 10 CECDHN COc1cccc(CNCc2n[nH]c(C(C)(C)C)n2)c1O ZINC000839170724 644179172 /nfs/dbraw/zinc/17/91/72/644179172.db2.gz OSSILHVBQYOMMT-UHFFFAOYSA-N 0 3 290.367 2.106 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000839182216 644181261 /nfs/dbraw/zinc/18/12/61/644181261.db2.gz LRSHEGQAFDJBQL-GJZGRUSLSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2COCCO2)c2c1c(F)ccc2[O-] ZINC000756433588 644648756 /nfs/dbraw/zinc/64/87/56/644648756.db2.gz DLZMJWYGTUMHDW-FOGDFJRCSA-N 0 3 281.327 2.085 20 10 CECDHN C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000756737713 644688046 /nfs/dbraw/zinc/68/80/46/644688046.db2.gz YHBUYEVPZBZECC-NGZCFLSTSA-N 0 3 280.343 2.146 20 10 CECDHN C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)ccc1[O-] ZINC000756769068 644690578 /nfs/dbraw/zinc/69/05/78/644690578.db2.gz JBOSNDSUWBPXRZ-CABZTGNLSA-N 0 3 253.317 2.343 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2[O-] ZINC000757630965 644827631 /nfs/dbraw/zinc/82/76/31/644827631.db2.gz AZUVSIXVRSFAPJ-BXKDBHETSA-N 0 3 292.354 2.195 20 10 CECDHN COC[C@H](C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)OC ZINC000757638540 644829985 /nfs/dbraw/zinc/82/99/85/644829985.db2.gz QMVUTPGSBFJIOW-NHCYSSNCSA-N 0 3 283.343 2.331 20 10 CECDHN CO[C@@H](C)CNCc1cc(F)c(N(C)C)cc1F ZINC000858189443 645084848 /nfs/dbraw/zinc/08/48/48/645084848.db2.gz RJPFFTLALDDFFD-VIFPVBQESA-N 0 3 258.312 2.155 20 10 CECDHN CC(C)N1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000127014724 651051916 /nfs/dbraw/zinc/05/19/16/651051916.db2.gz IHIDKEUPUQHMDB-UHFFFAOYSA-N 0 3 279.403 2.418 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCN(C)C2=O)cc1 ZINC000766437533 645886128 /nfs/dbraw/zinc/88/61/28/645886128.db2.gz PAZXPFKBNLCGHK-CJNGLKHVSA-N 0 3 289.423 2.414 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438032 646122057 /nfs/dbraw/zinc/12/20/57/646122057.db2.gz OQQYSNPMFGOMRN-IINYFYTJSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438032 646122064 /nfs/dbraw/zinc/12/20/64/646122064.db2.gz OQQYSNPMFGOMRN-IINYFYTJSA-N 0 3 263.337 2.050 20 10 CECDHN CCC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768443094 646123829 /nfs/dbraw/zinc/12/38/29/646123829.db2.gz OVGUVATZLFBQCT-HNNXBMFYSA-N 0 3 277.364 2.440 20 10 CECDHN COC(=O)CC[N@@H+](Cc1c([O-])cccc1OC)CC(C)C ZINC000768849569 646173906 /nfs/dbraw/zinc/17/39/06/646173906.db2.gz ICPHQONKCLITCX-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN COC(=O)CC[N@H+](Cc1c([O-])cccc1OC)CC(C)C ZINC000768849569 646173912 /nfs/dbraw/zinc/17/39/12/646173912.db2.gz ICPHQONKCLITCX-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000769451865 646268456 /nfs/dbraw/zinc/26/84/56/646268456.db2.gz NWQDOJBGISCRIS-NEPJUHHUSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000769451865 646268459 /nfs/dbraw/zinc/26/84/59/646268459.db2.gz NWQDOJBGISCRIS-NEPJUHHUSA-N 0 3 265.353 2.136 20 10 CECDHN CCC1(O)CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769482715 646275817 /nfs/dbraw/zinc/27/58/17/646275817.db2.gz DHWQLTZAKSBSMW-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000769709729 646305326 /nfs/dbraw/zinc/30/53/26/646305326.db2.gz JKALBZAACSABLZ-AAEUAGOBSA-N 0 3 265.353 2.448 20 10 CECDHN CCOC(=O)c1cccc(CNCc2ccccc2O)n1 ZINC000862274493 646388067 /nfs/dbraw/zinc/38/80/67/646388067.db2.gz PCDRKAVZDNHIKT-UHFFFAOYSA-N 0 3 286.331 2.254 20 10 CECDHN CC[C@@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101149 646706241 /nfs/dbraw/zinc/70/62/41/646706241.db2.gz ANZKKUGLAARCRC-IUODEOHRSA-N 0 3 298.452 2.226 20 10 CECDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1[O-] ZINC000863546259 646753881 /nfs/dbraw/zinc/75/38/81/646753881.db2.gz HUECUMZNBUBRSH-TVYUQYBPSA-N 0 3 252.333 2.322 20 10 CECDHN C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000863547655 646754169 /nfs/dbraw/zinc/75/41/69/646754169.db2.gz RGXLXGCSXXABFV-FXPVBKGRSA-N 0 3 270.323 2.462 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(F)cc(F)c1[O-] ZINC000863547655 646754172 /nfs/dbraw/zinc/75/41/72/646754172.db2.gz RGXLXGCSXXABFV-FXPVBKGRSA-N 0 3 270.323 2.462 20 10 CECDHN CCN(C)c1ccc(CN[C@H](C(=O)NC)C(C)C)cc1 ZINC000773814995 646777270 /nfs/dbraw/zinc/77/72/70/646777270.db2.gz XMAHDZHGAKFPBI-HNNXBMFYSA-N 0 3 277.412 2.003 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000774828517 646900335 /nfs/dbraw/zinc/90/03/35/646900335.db2.gz CQLDPMDJIWFPLN-SMDDNHRTSA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1ccccc1[O-] ZINC000775522151 646963043 /nfs/dbraw/zinc/96/30/43/646963043.db2.gz KNJGDWIIFJQDQZ-CQSZACIVSA-N 0 3 297.420 2.258 20 10 CECDHN COc1ccc(O)c(CN2CCCC[C@H]2C2OCCO2)c1 ZINC000775674663 646979523 /nfs/dbraw/zinc/97/95/23/646979523.db2.gz IEVFWXNMUAYACW-AWEZNQCLSA-N 0 3 293.363 2.128 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])[C@H](C)CN1C ZINC000775985478 647013796 /nfs/dbraw/zinc/01/37/96/647013796.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])[C@H](C)CN1C ZINC000775985478 647013798 /nfs/dbraw/zinc/01/37/98/647013798.db2.gz LRNNQKJFXGFKBJ-GHMZBOCLSA-N 0 3 252.333 2.056 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000779008775 647281480 /nfs/dbraw/zinc/28/14/80/647281480.db2.gz XWBXOUTXUZQJNF-CQSZACIVSA-N 0 3 257.337 2.426 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000779008775 647281482 /nfs/dbraw/zinc/28/14/82/647281482.db2.gz XWBXOUTXUZQJNF-CQSZACIVSA-N 0 3 257.337 2.426 20 10 CECDHN Cc1cccc(NCC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000779125428 647290171 /nfs/dbraw/zinc/29/01/71/647290171.db2.gz ZXFRNZFOMZHJAU-UHFFFAOYSA-N 0 3 275.327 2.436 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000865710589 647432471 /nfs/dbraw/zinc/43/24/71/647432471.db2.gz CBZYKNXSRQOMEQ-JOYOIKCWSA-N 0 3 276.302 2.154 20 10 CECDHN COc1cccc(CN[C@@H]2CCCn3nccc32)c1O ZINC000865872933 647515606 /nfs/dbraw/zinc/51/56/06/647515606.db2.gz WYTXFZCCCFTURT-GFCCVEGCSA-N 0 3 273.336 2.222 20 10 CECDHN COc1cccc(O)c1CN1CCOCC2(CC2)C1 ZINC000783595450 647734785 /nfs/dbraw/zinc/73/47/85/647734785.db2.gz PRBXSSPXJYNAGO-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783595450 647734788 /nfs/dbraw/zinc/73/47/88/647734788.db2.gz PRBXSSPXJYNAGO-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCOCC2(CC2)C1 ZINC000783595450 647734791 /nfs/dbraw/zinc/73/47/91/647734791.db2.gz PRBXSSPXJYNAGO-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c([O-])c1 ZINC000783715217 647750770 /nfs/dbraw/zinc/75/07/70/647750770.db2.gz KQLKZPMWCOTFIL-OAHLLOKOSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](OCCOC)C2)c([O-])c1 ZINC000783715217 647750773 /nfs/dbraw/zinc/75/07/73/647750773.db2.gz KQLKZPMWCOTFIL-OAHLLOKOSA-N 0 3 295.379 2.028 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)C(F)(F)F ZINC000866466162 647796607 /nfs/dbraw/zinc/79/66/07/647796607.db2.gz YUYLSYJPFRCTQO-VAOFZXAKSA-N 0 3 263.259 2.355 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCOC(F)(F)F ZINC000788967693 648238660 /nfs/dbraw/zinc/23/86/60/648238660.db2.gz UJAIRFCFSWLGAX-UHFFFAOYSA-N 0 3 265.231 2.027 20 10 CECDHN COCc1ccc(CNCc2ccc(OC)cc2O)o1 ZINC000793388654 648749357 /nfs/dbraw/zinc/74/93/57/648749357.db2.gz QZHUWCNPLJOGIT-UHFFFAOYSA-N 0 3 277.320 2.430 20 10 CECDHN C[C@@H]1CC[C@H](C)N1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202299 649030618 /nfs/dbraw/zinc/03/06/18/649030618.db2.gz CPJKRBHAEDCVBM-TXEJJXNPSA-N 0 3 274.364 2.107 20 10 CECDHN O=C1OCC[C@@H]1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000872111730 649281286 /nfs/dbraw/zinc/28/12/86/649281286.db2.gz GDWXRHZJCYWRCJ-QWHCGFSZSA-N 0 3 275.348 2.312 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@@H](O)CO2 ZINC000872713168 649464980 /nfs/dbraw/zinc/46/49/80/649464980.db2.gz LICZAQDQQGYWFG-OZVIIMIRSA-N 0 3 287.359 2.216 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CC=CC[C@@H]3C1)[C@@H](O)CO2 ZINC000872713168 649464982 /nfs/dbraw/zinc/46/49/82/649464982.db2.gz LICZAQDQQGYWFG-OZVIIMIRSA-N 0 3 287.359 2.216 20 10 CECDHN [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC000873226931 649598650 /nfs/dbraw/zinc/59/86/50/649598650.db2.gz ABMHWWKKIKRCJB-VHSXEESVSA-N 0 3 292.276 2.100 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230793 649602645 /nfs/dbraw/zinc/60/26/45/649602645.db2.gz YDPRVNWGZIYVND-UONOGXRCSA-N 0 3 266.772 2.420 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCCC1 ZINC000874231393 649754843 /nfs/dbraw/zinc/75/48/43/649754843.db2.gz KTKKNHXRYQHNOB-UHFFFAOYSA-N 0 3 289.423 2.197 20 10 CECDHN CC[C@H](N)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377200 651702030 /nfs/dbraw/zinc/70/20/30/651702030.db2.gz IGQOQGUDNXKJSV-ZDUSSCGKSA-N 0 3 273.384 2.111 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884193678 652747605 /nfs/dbraw/zinc/74/76/05/652747605.db2.gz MNLUJSCBIZIMPC-INIZCTEOSA-N 0 3 289.423 2.276 20 10 CECDHN N[C@@H](CC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315051 652792480 /nfs/dbraw/zinc/79/24/80/652792480.db2.gz FBCFXGWDPSXPRK-HNNXBMFYSA-N 0 3 288.391 2.015 20 10 CECDHN CC(C)(C)OC(=O)N1CC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000724920035 803347810 /nfs/dbraw/zinc/34/78/10/803347810.db2.gz CRJYMUZZLIVBFE-ZDUSSCGKSA-N 0 3 292.379 2.491 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000724814320 803490050 /nfs/dbraw/zinc/49/00/50/803490050.db2.gz NAKPKNHEBWDAEK-DOMZBBRYSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000724814320 803490055 /nfs/dbraw/zinc/49/00/55/803490055.db2.gz NAKPKNHEBWDAEK-DOMZBBRYSA-N 0 3 263.337 2.012 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694515734 803559912 /nfs/dbraw/zinc/55/99/12/803559912.db2.gz QUEGGZPVRODAIP-NEPJUHHUSA-N 0 3 283.393 2.010 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694515736 803559951 /nfs/dbraw/zinc/55/99/51/803559951.db2.gz QUEGGZPVRODAIP-RYUDHWBXSA-N 0 3 283.393 2.010 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1=O ZINC000722361529 804382301 /nfs/dbraw/zinc/38/23/01/804382301.db2.gz MUQVIBMPDBLDLI-TZMCWYRMSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1n[nH]c(=O)c(CNCc2ccc3c(c2)CCCO3)c1C ZINC001119676968 815148846 /nfs/dbraw/zinc/14/88/46/815148846.db2.gz BIAUREKRDFJBIE-UHFFFAOYSA-N 0 3 299.374 2.414 20 10 CECDHN COc1ccc(O)c(CNCc2cncc(OC)c2)c1 ZINC000699791188 807846470 /nfs/dbraw/zinc/84/64/70/807846470.db2.gz YVEUUNOAKHQQFC-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN CCN(CC[NH2+]C)Cc1ccc(C(F)(F)F)cc1[O-] ZINC001236142209 807996403 /nfs/dbraw/zinc/99/64/03/807996403.db2.gz BFSBHCOFAHSXGS-UHFFFAOYSA-N 0 3 276.302 2.452 20 10 CECDHN CC[C@H]([NH3+])CN(C)Cc1cc(Cl)c(OC)cc1[O-] ZINC001236868353 808180942 /nfs/dbraw/zinc/18/09/42/808180942.db2.gz AZWKDBIFOJDIOO-JTQLQIEISA-N 0 3 272.776 2.223 20 10 CECDHN CCCNC(=O)[C@H]1CCCCN1Cc1ccccc1O ZINC001203556384 808699062 /nfs/dbraw/zinc/69/90/62/808699062.db2.gz OFFAFQYRDDQWKM-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)[C@H]2CCCCO2)c([O-])c1 ZINC000379242021 810689915 /nfs/dbraw/zinc/68/99/15/810689915.db2.gz XNNLMMFHLWSAPJ-IAQYHMDHSA-N 0 3 265.353 2.448 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1nnc3ccccn31)CC2 ZINC000390126106 810745937 /nfs/dbraw/zinc/74/59/37/810745937.db2.gz GHRAQHYKIQDONU-ZDUSSCGKSA-N 0 3 294.358 2.255 20 10 CECDHN C[C@@H]1[NH2+]CCN(Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000379503403 811051068 /nfs/dbraw/zinc/05/10/68/811051068.db2.gz YJPVVQOTXFBZKE-UWVGGRQHSA-N 0 3 299.212 2.337 20 10 CECDHN O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039857 811348589 /nfs/dbraw/zinc/34/85/89/811348589.db2.gz UWXVJXIZSLICMZ-YPMHNXCESA-N 0 3 276.336 2.196 20 10 CECDHN O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039857 811348603 /nfs/dbraw/zinc/34/86/03/811348603.db2.gz UWXVJXIZSLICMZ-YPMHNXCESA-N 0 3 276.336 2.196 20 10 CECDHN COC(=O)[C@H]1CCC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624561 815485968 /nfs/dbraw/zinc/48/59/68/815485968.db2.gz SFWICYQNUZFTLY-KBPBESRZSA-N 0 3 289.375 2.482 20 10 CECDHN COC(=O)[C@H]1CCC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624561 815485973 /nfs/dbraw/zinc/48/59/73/815485973.db2.gz SFWICYQNUZFTLY-KBPBESRZSA-N 0 3 289.375 2.482 20 10 CECDHN COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001172791624 815523021 /nfs/dbraw/zinc/52/30/21/815523021.db2.gz MITQGXNRSPFEIB-DGCLKSJQSA-N 0 3 293.363 2.309 20 10 CECDHN CN(Cc1ccccc1O)C(=O)[C@H]1CNCc2ccccc21 ZINC000387939194 813225369 /nfs/dbraw/zinc/22/53/69/813225369.db2.gz CVFUOCIPHFVCQU-INIZCTEOSA-N 0 3 296.370 2.238 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cnccn1)CC2 ZINC000390066237 813259614 /nfs/dbraw/zinc/25/96/14/813259614.db2.gz RSYXKKSTCWWAQW-CYBMUJFWSA-N 0 3 255.321 2.002 20 10 CECDHN Cc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c([O-])cc1Br ZINC001206080907 813279414 /nfs/dbraw/zinc/27/94/14/813279414.db2.gz IOSSPYWCGUDDGU-BXKDBHETSA-N 0 3 299.212 2.242 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000689656838 813997538 /nfs/dbraw/zinc/99/75/38/813997538.db2.gz VBPYPODOAAAZGP-UHFFFAOYSA-N 0 3 265.328 2.172 20 10 CECDHN CN(C)c1cc(CN(C)Cc2ccccc2O)ccn1 ZINC000754066048 814114205 /nfs/dbraw/zinc/11/42/05/814114205.db2.gz KPFAUMIDAWTRGV-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000694778795 814636813 /nfs/dbraw/zinc/63/68/13/814636813.db2.gz YIOUTEFJQHGMPY-RYUDHWBXSA-N 0 3 283.393 2.010 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001140054842 816177868 /nfs/dbraw/zinc/17/78/68/816177868.db2.gz YCOJPEBCQRNNMB-UHFFFAOYSA-N 0 3 290.382 2.449 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001140054842 816177876 /nfs/dbraw/zinc/17/78/76/816177876.db2.gz YCOJPEBCQRNNMB-UHFFFAOYSA-N 0 3 290.382 2.449 20 10 CECDHN O=C1CC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)O1 ZINC001140060303 816181659 /nfs/dbraw/zinc/18/16/59/816181659.db2.gz UTHQBNKTYHKBCI-HNNXBMFYSA-N 0 3 279.311 2.203 20 10 CECDHN O=C1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)O1 ZINC001140060303 816181661 /nfs/dbraw/zinc/18/16/61/816181661.db2.gz UTHQBNKTYHKBCI-HNNXBMFYSA-N 0 3 279.311 2.203 20 10 CECDHN CN1CC[C@@]2(CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584228 816293060 /nfs/dbraw/zinc/29/30/60/816293060.db2.gz JQXPWIHXLVQJIC-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@@]2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584228 816293066 /nfs/dbraw/zinc/29/30/66/816293066.db2.gz JQXPWIHXLVQJIC-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(OC)c1 ZINC001141026243 816449132 /nfs/dbraw/zinc/44/91/32/816449132.db2.gz JAWZWYRRHAHQHB-SKDRFNHKSA-N 0 3 299.317 2.496 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c(OC)c1 ZINC001141026243 816449134 /nfs/dbraw/zinc/44/91/34/816449134.db2.gz JAWZWYRRHAHQHB-SKDRFNHKSA-N 0 3 299.317 2.496 20 10 CECDHN CCOc1cccc(CN(C)CCn2cccn2)c1O ZINC000125275466 365671221 /nfs/dbraw/zinc/67/12/21/365671221.db2.gz BLWQLACOZWILER-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000093870480 344231462 /nfs/dbraw/zinc/23/14/62/344231462.db2.gz QOTHDXCLCIDDPQ-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000093870480 344231464 /nfs/dbraw/zinc/23/14/64/344231464.db2.gz QOTHDXCLCIDDPQ-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN COCCC[N@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000179951973 344505286 /nfs/dbraw/zinc/50/52/86/344505286.db2.gz TZSMLCXOFMMHND-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000179951973 344505289 /nfs/dbraw/zinc/50/52/89/344505289.db2.gz TZSMLCXOFMMHND-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN Cc1cc(C)c([C@H](C)NCCS(=O)(=O)C(C)C)c(O)c1 ZINC000294295169 344693950 /nfs/dbraw/zinc/69/39/50/344693950.db2.gz MZPJSJXNCPPPPY-ZDUSSCGKSA-N 0 3 299.436 2.483 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1COc3ccccc3[C@H]1O)CC2 ZINC000297217563 344695856 /nfs/dbraw/zinc/69/58/56/344695856.db2.gz HBEICNJLIOQONH-QWQRMKEZSA-N 0 3 297.354 2.464 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)C2CCOCC2)c1 ZINC000089725900 260238199 /nfs/dbraw/zinc/23/81/99/260238199.db2.gz FDHOVMJGGUQABM-NSHDSACASA-N 0 3 265.353 2.306 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)c1[O-] ZINC000527803580 313204259 /nfs/dbraw/zinc/20/42/59/313204259.db2.gz HAYLNOGZHKUYEA-ZHPDPMBESA-N 0 3 265.353 2.302 20 10 CECDHN C[C@H](NCC1([S@@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390101 299285027 /nfs/dbraw/zinc/28/50/27/299285027.db2.gz RDBCQVOEJZYBHV-HXPMCKFVSA-N 0 3 280.437 2.314 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000089636715 363986301 /nfs/dbraw/zinc/98/63/01/363986301.db2.gz OSRWJNDJKVYKHV-STQMWFEESA-N 0 3 298.452 2.226 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)ccc3O)[C@H]2C1 ZINC000092097055 364074768 /nfs/dbraw/zinc/07/47/68/364074768.db2.gz XQNCVYVCCLLOJH-VYDXJSESSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(n3cncn3)CC2)c1 ZINC000092648130 364093546 /nfs/dbraw/zinc/09/35/46/364093546.db2.gz YPDZHXZOMOYEKR-UHFFFAOYSA-N 0 3 272.352 2.129 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)CO)c1[O-] ZINC000169089631 367365253 /nfs/dbraw/zinc/36/52/53/367365253.db2.gz VNQBZCSHNALDRI-IUCAKERBSA-N 0 3 273.760 2.161 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180021054 368363253 /nfs/dbraw/zinc/36/32/53/368363253.db2.gz JEXAYTBMUXLWHD-GFCCVEGCSA-N 0 3 294.370 2.270 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180021054 368363258 /nfs/dbraw/zinc/36/32/58/368363258.db2.gz JEXAYTBMUXLWHD-GFCCVEGCSA-N 0 3 294.370 2.270 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000181270474 368439097 /nfs/dbraw/zinc/43/90/97/368439097.db2.gz LZTBSKDHTFGJQV-GFCCVEGCSA-N 0 3 264.369 2.266 20 10 CECDHN COCCCN(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183531171 368631164 /nfs/dbraw/zinc/63/11/64/368631164.db2.gz DXVHRBXYOAEKHA-ZDUSSCGKSA-N 0 3 266.385 2.011 20 10 CECDHN COC(=O)C1(C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000188689138 369394980 /nfs/dbraw/zinc/39/49/80/369394980.db2.gz OVKZXQMFHGFMOO-UHFFFAOYSA-N 0 3 299.754 2.097 20 10 CECDHN CCN(Cc1cccc(C)c1O)C[C@@H](O)C(F)(F)F ZINC000189862889 369573596 /nfs/dbraw/zinc/57/35/96/369573596.db2.gz APMQVKMEGKVJPN-LLVKDONJSA-N 0 3 277.286 2.446 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000189951076 369581278 /nfs/dbraw/zinc/58/12/78/369581278.db2.gz PJGPTFHBFWIAQV-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000191010040 369668218 /nfs/dbraw/zinc/66/82/18/369668218.db2.gz KMLRZAUGXSIUTL-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000191010040 369668221 /nfs/dbraw/zinc/66/82/21/369668221.db2.gz KMLRZAUGXSIUTL-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN CCOCc1cc(CNC[C@@H](C)OC)ccc1OC ZINC000191138133 369683400 /nfs/dbraw/zinc/68/34/00/369683400.db2.gz WZTKACKIPXAYFH-GFCCVEGCSA-N 0 3 267.369 2.356 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000191176037 369688590 /nfs/dbraw/zinc/68/85/90/369688590.db2.gz FCOCOZNFWWDETI-DOMZBBRYSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000191176037 369688593 /nfs/dbraw/zinc/68/85/93/369688593.db2.gz FCOCOZNFWWDETI-DOMZBBRYSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000191958398 369757534 /nfs/dbraw/zinc/75/75/34/369757534.db2.gz PAPSZABDVYYNNC-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000191958398 369757535 /nfs/dbraw/zinc/75/75/35/369757535.db2.gz PAPSZABDVYYNNC-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCCCS(C)(=O)=O)cc1 ZINC000268927606 372290531 /nfs/dbraw/zinc/29/05/31/372290531.db2.gz RXIWMPRTUZKZAU-CYBMUJFWSA-N 0 3 298.452 2.228 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000270003974 372632524 /nfs/dbraw/zinc/63/25/24/372632524.db2.gz SFOKLICDZZISQJ-GOSISDBHSA-N 0 3 299.370 2.300 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271261155 373184111 /nfs/dbraw/zinc/18/41/11/373184111.db2.gz IPYIJNQLLIDNJM-ZYHUDNBSSA-N 0 3 275.270 2.280 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000271261155 373184121 /nfs/dbraw/zinc/18/41/21/373184121.db2.gz IPYIJNQLLIDNJM-ZYHUDNBSSA-N 0 3 275.270 2.280 20 10 CECDHN Cc1ccc([C@H](O)C[NH2+]Cc2cccc(C)c2[O-])o1 ZINC000271767647 373200018 /nfs/dbraw/zinc/20/00/18/373200018.db2.gz AVJZSZKOFIZELL-CYBMUJFWSA-N 0 3 261.321 2.425 20 10 CECDHN Oc1ccc(F)cc1CN1CCN(C2CCC2)CC1 ZINC000272236092 373375599 /nfs/dbraw/zinc/37/55/99/373375599.db2.gz FODMEHSFHGONAY-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1O ZINC000273779463 373770926 /nfs/dbraw/zinc/77/09/26/373770926.db2.gz SLDCAQHWZKBAOH-BXKDBHETSA-N 0 3 285.771 2.257 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1O ZINC000273779463 373770931 /nfs/dbraw/zinc/77/09/31/373770931.db2.gz SLDCAQHWZKBAOH-BXKDBHETSA-N 0 3 285.771 2.257 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1C ZINC000273364179 373753874 /nfs/dbraw/zinc/75/38/74/373753874.db2.gz AXXOQCKIHYFSJW-LBPRGKRZSA-N 0 3 264.369 2.138 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273562959 373765252 /nfs/dbraw/zinc/76/52/52/373765252.db2.gz IQKKBMWVZMSRST-LLVKDONJSA-N 0 3 292.379 2.097 20 10 CECDHN Cc1nc(C)n(C[C@@H]2CCC[N@@H+]2Cc2ccccc2[O-])n1 ZINC000371534776 373915478 /nfs/dbraw/zinc/91/54/78/373915478.db2.gz ORWHIJYDBTWXAG-HNNXBMFYSA-N 0 3 286.379 2.265 20 10 CECDHN Cc1nc(C)n(C[C@@H]2CCC[N@H+]2Cc2ccccc2[O-])n1 ZINC000371534776 373915483 /nfs/dbraw/zinc/91/54/83/373915483.db2.gz ORWHIJYDBTWXAG-HNNXBMFYSA-N 0 3 286.379 2.265 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000374917367 374636025 /nfs/dbraw/zinc/63/60/25/374636025.db2.gz YBBQKHLZYMPJLS-AWEZNQCLSA-N 0 3 291.391 2.410 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678425 374626041 /nfs/dbraw/zinc/62/60/41/374626041.db2.gz KFDNKOJGIMEFCV-MLGOLLRUSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678425 374626048 /nfs/dbraw/zinc/62/60/48/374626048.db2.gz KFDNKOJGIMEFCV-MLGOLLRUSA-N 0 3 293.338 2.306 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](CO)CCOC)cc1F ZINC000282104362 375403114 /nfs/dbraw/zinc/40/31/14/375403114.db2.gz DJCCZXDBTSSRTA-AWEZNQCLSA-N 0 3 298.402 2.159 20 10 CECDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000284951960 375833015 /nfs/dbraw/zinc/83/30/15/375833015.db2.gz HQVLUZOPBYYPDP-AWEZNQCLSA-N 0 3 294.370 2.412 20 10 CECDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000284951960 375833024 /nfs/dbraw/zinc/83/30/24/375833024.db2.gz HQVLUZOPBYYPDP-AWEZNQCLSA-N 0 3 294.370 2.412 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1 ZINC000285197956 375836655 /nfs/dbraw/zinc/83/66/55/375836655.db2.gz NZURBGWXEHWLNB-GFCCVEGCSA-N 0 3 276.380 2.186 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC2=CCCOC2)c1 ZINC000288352580 376375829 /nfs/dbraw/zinc/37/58/29/376375829.db2.gz CHGJZEWZCUZJGH-UHFFFAOYSA-N 0 3 263.337 2.227 20 10 CECDHN COCC(C)(C)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000292781242 377280687 /nfs/dbraw/zinc/28/06/87/377280687.db2.gz LLBBTGQADCKPQE-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN COCC(C)(C)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000292781242 377280691 /nfs/dbraw/zinc/28/06/91/377280691.db2.gz LLBBTGQADCKPQE-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000293808707 377767451 /nfs/dbraw/zinc/76/74/51/377767451.db2.gz DYESNGWREZUUJP-GFCCVEGCSA-N 0 3 294.395 2.043 20 10 CECDHN COC[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000294137811 377916964 /nfs/dbraw/zinc/91/69/64/377916964.db2.gz FZXCCNADWAIVTJ-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@]1(C)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000294137811 377916967 /nfs/dbraw/zinc/91/69/67/377916967.db2.gz FZXCCNADWAIVTJ-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000294804143 378021652 /nfs/dbraw/zinc/02/16/52/378021652.db2.gz PEKPETZJTQNDLP-QWHCGFSZSA-N 0 3 288.391 2.423 20 10 CECDHN CCOc1ccc(O)c(CNCc2n[nH]c(C(C)C)n2)c1 ZINC000294837542 378022178 /nfs/dbraw/zinc/02/21/78/378022178.db2.gz QTKHFEWQPTUQCW-UHFFFAOYSA-N 0 3 290.367 2.322 20 10 CECDHN CCC[C@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297976248 378691494 /nfs/dbraw/zinc/69/14/94/378691494.db2.gz VTNIBQKXTKWWPM-AWEZNQCLSA-N 0 3 291.439 2.489 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)OCO2 ZINC000363384439 285382089 /nfs/dbraw/zinc/38/20/89/285382089.db2.gz KNEHCSXNIFBABA-GFCCVEGCSA-N 0 3 261.321 2.495 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)OCO2 ZINC000363384439 285382090 /nfs/dbraw/zinc/38/20/90/285382090.db2.gz KNEHCSXNIFBABA-GFCCVEGCSA-N 0 3 261.321 2.495 20 10 CECDHN COc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1[O-] ZINC000227600753 394473509 /nfs/dbraw/zinc/47/35/09/394473509.db2.gz NTHMDTBKRYQDSK-UHFFFAOYSA-N 0 3 296.367 2.015 20 10 CECDHN CCOC[C@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093839185 394668636 /nfs/dbraw/zinc/66/86/36/394668636.db2.gz LUNSTJJPPSMMMF-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093839185 394668639 /nfs/dbraw/zinc/66/86/39/394668639.db2.gz LUNSTJJPPSMMMF-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1[O-] ZINC000119178365 394765196 /nfs/dbraw/zinc/76/51/96/394765196.db2.gz AKEGKOYMPMGIPQ-QAGHZCBJSA-N 0 3 255.383 2.200 20 10 CECDHN CC(C)CO[C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000120950950 394789098 /nfs/dbraw/zinc/78/90/98/394789098.db2.gz JFAFZSVWSKRSEA-ZDUSSCGKSA-N 0 3 293.363 2.368 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000360675826 394805751 /nfs/dbraw/zinc/80/57/51/394805751.db2.gz XZLIZXLUKFBKIS-BPNCWPANSA-N 0 3 292.354 2.150 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000360675826 394805753 /nfs/dbraw/zinc/80/57/53/394805753.db2.gz XZLIZXLUKFBKIS-BPNCWPANSA-N 0 3 292.354 2.150 20 10 CECDHN COCCC[N@H+](CCOC)Cc1cccc(C)c1[O-] ZINC000124563017 394838841 /nfs/dbraw/zinc/83/88/41/394838841.db2.gz PMIOVBIGKOYUGZ-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1cccc(C)c1[O-] ZINC000124563017 394838842 /nfs/dbraw/zinc/83/88/42/394838842.db2.gz PMIOVBIGKOYUGZ-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN CCOc1ccc(O)c(CN2CCCOCC2)c1 ZINC000362368048 394856240 /nfs/dbraw/zinc/85/62/40/394856240.db2.gz HYUDWNLNAYNGCV-UHFFFAOYSA-N 0 3 251.326 2.013 20 10 CECDHN CCCOc1ccc(C[NH+](CCOC)CCOC)c([O-])c1 ZINC000133421382 394951222 /nfs/dbraw/zinc/95/12/22/394951222.db2.gz RHMRGNGWCWZECW-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN O[C@@H]1c2ccccc2OC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000288528426 395062346 /nfs/dbraw/zinc/06/23/46/395062346.db2.gz JYASRZLQXVCRQN-MAUKXSAKSA-N 0 3 297.354 2.206 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)c1 ZINC000168839988 395089168 /nfs/dbraw/zinc/08/91/68/395089168.db2.gz RCYJNUVGLHCXJD-ZHYXMNDGSA-N 0 3 285.409 2.209 20 10 CECDHN CC[C@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000182343887 395240193 /nfs/dbraw/zinc/24/01/93/395240193.db2.gz AUGLUFIVAZOBOG-SDDRHHMPSA-N 0 3 294.395 2.355 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC000182445127 395241830 /nfs/dbraw/zinc/24/18/30/395241830.db2.gz CRGWDLPNORBIIV-UHFFFAOYSA-N 0 3 281.352 2.222 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293653569 395244696 /nfs/dbraw/zinc/24/46/96/395244696.db2.gz ISOPEZIACHNJDO-QWHCGFSZSA-N 0 3 267.369 2.057 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1C ZINC000293708273 395248315 /nfs/dbraw/zinc/24/83/15/395248315.db2.gz MPGWQZJPEGYWMK-MCIONIFRSA-N 0 3 279.380 2.200 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182899106 395250376 /nfs/dbraw/zinc/25/03/76/395250376.db2.gz RBSQWFADHBJVNR-WBVHZDCISA-N 0 3 269.344 2.482 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccccc2[C@@H]1O ZINC000182899106 395250379 /nfs/dbraw/zinc/25/03/79/395250379.db2.gz RBSQWFADHBJVNR-WBVHZDCISA-N 0 3 269.344 2.482 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292930235 395210349 /nfs/dbraw/zinc/21/03/49/395210349.db2.gz HUFQCJYKCXIEJB-UHFFFAOYSA-N 0 3 267.279 2.144 20 10 CECDHN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1[O-] ZINC000183512739 395257925 /nfs/dbraw/zinc/25/79/25/395257925.db2.gz NBGJSVQJRRBPCL-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCSCC1)CC2 ZINC000297493334 395342410 /nfs/dbraw/zinc/34/24/10/395342410.db2.gz BNGLPMAYJMJVOM-CYBMUJFWSA-N 0 3 278.421 2.018 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCOCC1)c1ccccc1[O-] ZINC000020141816 171028665 /nfs/dbraw/zinc/02/86/65/171028665.db2.gz WZCBDDVJUVXCRU-HNNXBMFYSA-N 0 3 278.396 2.155 20 10 CECDHN C[C@H](C(=O)Nc1ccc(N)cc1)N1CCCCCC1 ZINC000022154970 171361770 /nfs/dbraw/zinc/36/17/70/171361770.db2.gz BRXKFGOMAPZCNV-GFCCVEGCSA-N 0 3 261.369 2.472 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@H]2CCCO2)c1[O-] ZINC000038095461 174109575 /nfs/dbraw/zinc/10/95/75/174109575.db2.gz GNBPLEFWJAJUGL-CYBMUJFWSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1[O-] ZINC000221372275 419467433 /nfs/dbraw/zinc/46/74/33/419467433.db2.gz KIJWIQWICRDDJZ-GXFFZTMASA-N 0 3 296.798 2.238 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128219377 260373576 /nfs/dbraw/zinc/37/35/76/260373576.db2.gz PLNOHVBZBSVPQD-RYUDHWBXSA-N 0 3 285.771 2.303 20 10 CECDHN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(F)ccc1[O-] ZINC000185333041 262050842 /nfs/dbraw/zinc/05/08/42/262050842.db2.gz OQWUJTRYUDKQNB-SNVBAGLBSA-N 0 3 282.315 2.024 20 10 CECDHN C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(F)ccc1[O-] ZINC000185334157 262050890 /nfs/dbraw/zinc/05/08/90/262050890.db2.gz FXZXWEIGLXDHSB-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)c1 ZINC000185673415 262065012 /nfs/dbraw/zinc/06/50/12/262065012.db2.gz CFPTUJKDTYMSCH-OBJOEFQTSA-N 0 3 295.379 2.245 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186354026 262090082 /nfs/dbraw/zinc/09/00/82/262090082.db2.gz KBMVIXZCCCVLQO-NSHDSACASA-N 0 3 294.395 2.214 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000311018955 262189479 /nfs/dbraw/zinc/18/94/79/262189479.db2.gz YSBAGUWVARJXJH-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000311018955 262189480 /nfs/dbraw/zinc/18/94/80/262189480.db2.gz YSBAGUWVARJXJH-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN Cc1cc(CN2CCC(C)(O)CC2)ccc1N(C)C ZINC000292771028 263134761 /nfs/dbraw/zinc/13/47/61/263134761.db2.gz JRVMHBWLRHJHIB-UHFFFAOYSA-N 0 3 262.397 2.408 20 10 CECDHN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000293951509 264990194 /nfs/dbraw/zinc/99/01/94/264990194.db2.gz IUQOZPNDBNFQRZ-HZMBPMFUSA-N 0 3 253.317 2.172 20 10 CECDHN Nc1ccc(CC(=O)Nc2cccc3c2CNCC3)cc1 ZINC000367507512 267094976 /nfs/dbraw/zinc/09/49/76/267094976.db2.gz MOYZCJHMAGTYKB-UHFFFAOYSA-N 0 3 281.359 2.096 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000368334608 267163651 /nfs/dbraw/zinc/16/36/51/267163651.db2.gz WEOLCEVXZKTLFZ-DZGCQCFKSA-N 0 3 290.407 2.214 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925695 267276968 /nfs/dbraw/zinc/27/69/68/267276968.db2.gz XBGSCINSGFVKPA-OCCSQVGLSA-N 0 3 272.352 2.382 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000369925695 267276969 /nfs/dbraw/zinc/27/69/69/267276969.db2.gz XBGSCINSGFVKPA-OCCSQVGLSA-N 0 3 272.352 2.382 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000377272321 268062801 /nfs/dbraw/zinc/06/28/01/268062801.db2.gz BLQAYBTWSHZDKF-YOEHRIQHSA-N 0 3 291.391 2.389 20 10 CECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000295829027 275549833 /nfs/dbraw/zinc/54/98/33/275549833.db2.gz DVMMAGBXRQTERY-AWEZNQCLSA-N 0 3 290.407 2.080 20 10 CECDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@H](O)C(F)(F)F ZINC000271767594 288050749 /nfs/dbraw/zinc/05/07/49/288050749.db2.gz ATHKFBSDFUCPKD-JQWIXIFHSA-N 0 3 277.286 2.492 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)N(C)C)cc1 ZINC000036793874 279170123 /nfs/dbraw/zinc/17/01/23/279170123.db2.gz NIKSVSSCEVJWCN-ZDUSSCGKSA-N 0 3 277.412 2.099 20 10 CECDHN CC[C@@H](C(=O)NCc1cccc(OC)c1O)N(CC)CC ZINC000269173313 280079236 /nfs/dbraw/zinc/07/92/36/280079236.db2.gz IUJQPHLDZBEKJM-ZDUSSCGKSA-N 0 3 294.395 2.137 20 10 CECDHN CC[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)F ZINC000294972033 280190799 /nfs/dbraw/zinc/19/07/99/280190799.db2.gz FUPRPSJYJNTSLK-CHWSQXEVSA-N 0 3 272.339 2.247 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279741582 328233319 /nfs/dbraw/zinc/23/33/19/328233319.db2.gz XJGXBKJVVDGESG-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279741582 328233320 /nfs/dbraw/zinc/23/33/20/328233320.db2.gz XJGXBKJVVDGESG-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392628 327193753 /nfs/dbraw/zinc/19/37/53/327193753.db2.gz KAHIZZJDQHESCO-ZWNOBZJWSA-N 0 3 253.342 2.068 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622669 329021349 /nfs/dbraw/zinc/02/13/49/329021349.db2.gz IJDHETJJZDLGGF-CJNGLKHVSA-N 0 3 274.364 2.055 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622669 329021351 /nfs/dbraw/zinc/02/13/51/329021351.db2.gz IJDHETJJZDLGGF-CJNGLKHVSA-N 0 3 274.364 2.055 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(OC)ccc2[O-])CC1(C)C ZINC000378440542 329050258 /nfs/dbraw/zinc/05/02/58/329050258.db2.gz BVHZPQKQZCUWSP-CYBMUJFWSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])CC1(C)C ZINC000378440542 329050260 /nfs/dbraw/zinc/05/02/60/329050260.db2.gz BVHZPQKQZCUWSP-CYBMUJFWSA-N 0 3 293.363 2.032 20 10 CECDHN CSC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000193650622 329060466 /nfs/dbraw/zinc/06/04/66/329060466.db2.gz PIRRCRLZLVVXDA-UHFFFAOYSA-N 0 3 281.377 2.496 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000360013327 329069806 /nfs/dbraw/zinc/06/98/06/329069806.db2.gz FURSRRCYQKJQAT-UHFFFAOYSA-N 0 3 257.337 2.495 20 10 CECDHN C[C@@H]1CN(C2CC[NH+](Cc3ccccc3[O-])CC2)CCO1 ZINC000179562862 329209815 /nfs/dbraw/zinc/20/98/15/329209815.db2.gz CNCVLQZUBVBQTF-CQSZACIVSA-N 0 3 290.407 2.077 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC2COC2)c2c1c(F)ccc2[O-] ZINC000528027500 330305153 /nfs/dbraw/zinc/30/51/53/330305153.db2.gz UHEQOVOCMINOIV-LDYMZIIASA-N 0 3 251.301 2.316 20 10 CECDHN COCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000081708024 330352121 /nfs/dbraw/zinc/35/21/21/330352121.db2.gz NBIWOEVZHJPEJJ-QWRGUYRKSA-N 0 3 253.342 2.476 20 10 CECDHN CN(C)CCN(C(=O)/C=C\c1cnccn1)c1ccccc1 ZINC000491280764 332180468 /nfs/dbraw/zinc/18/04/68/332180468.db2.gz ZAPXRWICWRNHMY-HJWRWDBZSA-N 0 3 296.374 2.085 20 10 CECDHN Cc1nc(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)cs1 ZINC000227436688 333282874 /nfs/dbraw/zinc/28/28/74/333282874.db2.gz HUWZKKRGISWEMN-UHFFFAOYSA-N 0 3 292.360 2.218 20 10 CECDHN COC[C@@H](CN[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712559 333287531 /nfs/dbraw/zinc/28/75/31/333287531.db2.gz DHZMEYPZPCAQKT-IUODEOHRSA-N 0 3 266.385 2.065 20 10 CECDHN CCC[C@H](CCO)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000231391936 333324711 /nfs/dbraw/zinc/32/47/11/333324711.db2.gz FDTGMITVKDLDDA-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CCNC(=O)[C@@H](NCc1ccc(OC)c(C)c1)C(C)C ZINC000293083403 521744522 /nfs/dbraw/zinc/74/45/22/521744522.db2.gz WIBQWXKSIRAOLG-HNNXBMFYSA-N 0 3 278.396 2.254 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)C(C)(C)O)c1 ZINC000292933335 521155382 /nfs/dbraw/zinc/15/53/82/521155382.db2.gz HCVQOBPZKSEOOX-AWEZNQCLSA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1cccc(CN2CC[C@@H](n3cccn3)C2)c1O ZINC000365840124 521344500 /nfs/dbraw/zinc/34/45/00/521344500.db2.gz XCLIBDNFBMAOBG-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000365840124 521344511 /nfs/dbraw/zinc/34/45/11/521344511.db2.gz XCLIBDNFBMAOBG-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000365840124 521344516 /nfs/dbraw/zinc/34/45/16/521344516.db2.gz XCLIBDNFBMAOBG-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280888531 522609143 /nfs/dbraw/zinc/60/91/43/522609143.db2.gz OVYRROWTAUOJKB-DZKIICNBSA-N 0 3 293.407 2.386 20 10 CECDHN CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280263812 522737103 /nfs/dbraw/zinc/73/71/03/522737103.db2.gz XJJHEXLGXUUGKH-OCCSQVGLSA-N 0 3 274.368 2.422 20 10 CECDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000290224471 524010518 /nfs/dbraw/zinc/01/05/18/524010518.db2.gz RDOSLZQSGANYEM-PJQXDXOGSA-N 0 3 291.391 2.335 20 10 CECDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000290224471 524010520 /nfs/dbraw/zinc/01/05/20/524010520.db2.gz RDOSLZQSGANYEM-PJQXDXOGSA-N 0 3 291.391 2.335 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000290062650 524080289 /nfs/dbraw/zinc/08/02/89/524080289.db2.gz FIBLQRZQKHLQJU-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000290062650 524080290 /nfs/dbraw/zinc/08/02/90/524080290.db2.gz FIBLQRZQKHLQJU-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)CCCn2ccnc2C)c1 ZINC000290645721 524735332 /nfs/dbraw/zinc/73/53/32/524735332.db2.gz YVLPSXXIEILCCG-UHFFFAOYSA-N 0 3 289.379 2.428 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)CCCn2ccnc2C)c1 ZINC000290645721 524735337 /nfs/dbraw/zinc/73/53/37/524735337.db2.gz YVLPSXXIEILCCG-UHFFFAOYSA-N 0 3 289.379 2.428 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000280236227 524864306 /nfs/dbraw/zinc/86/43/06/524864306.db2.gz KEHWMZBPRHDXGX-CQSZACIVSA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000280236227 524864318 /nfs/dbraw/zinc/86/43/18/524864318.db2.gz KEHWMZBPRHDXGX-CQSZACIVSA-N 0 3 282.771 2.051 20 10 CECDHN C[C@H]1OCC[C@]12C[N@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570363 525058306 /nfs/dbraw/zinc/05/83/06/525058306.db2.gz VSUIHONQSOKDCM-IOASZLSFSA-N 0 3 277.364 2.161 20 10 CECDHN C[C@H]1OCC[C@]12C[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570363 525058315 /nfs/dbraw/zinc/05/83/15/525058315.db2.gz VSUIHONQSOKDCM-IOASZLSFSA-N 0 3 277.364 2.161 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291365107 525342350 /nfs/dbraw/zinc/34/23/50/525342350.db2.gz YTNDXKRBFDHSMX-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291365107 525342358 /nfs/dbraw/zinc/34/23/58/525342358.db2.gz YTNDXKRBFDHSMX-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000280642429 525346747 /nfs/dbraw/zinc/34/67/47/525346747.db2.gz NFXQAQAWICJYJW-GOSISDBHSA-N 0 3 267.394 2.091 20 10 CECDHN CSC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000266168139 525662443 /nfs/dbraw/zinc/66/24/43/525662443.db2.gz QCUSGXOKOLPNNU-AWEZNQCLSA-N 0 3 269.410 2.213 20 10 CECDHN c1cc(CNCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000020140366 526429295 /nfs/dbraw/zinc/42/92/95/526429295.db2.gz BFJPXIJAQNCJBP-UHFFFAOYSA-N 0 3 283.375 2.208 20 10 CECDHN Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000280048288 527330065 /nfs/dbraw/zinc/33/00/65/527330065.db2.gz JIYMEQONXUHOMT-ZDUSSCGKSA-N 0 3 257.337 2.293 20 10 CECDHN CN(C)c1ccc(CNCc2ccc(CC(N)=O)cc2)cc1 ZINC000727463960 574451690 /nfs/dbraw/zinc/45/16/90/574451690.db2.gz JAADNBNVJDHZFI-UHFFFAOYSA-N 0 3 297.402 2.070 20 10 CECDHN CC1CC[NH+](CCCNC(=O)c2cc([O-])cs2)CC1 ZINC000731865508 574604262 /nfs/dbraw/zinc/60/42/62/574604262.db2.gz LTAAPQKUSPVQLC-UHFFFAOYSA-N 0 3 282.409 2.306 20 10 CECDHN CCOc1cccc(CNC[C@H](OC)C(F)(F)F)c1O ZINC000733330021 574665046 /nfs/dbraw/zinc/66/50/46/574665046.db2.gz OIBCEGHKNGPTPF-NSHDSACASA-N 0 3 293.285 2.458 20 10 CECDHN COc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000742392552 575019744 /nfs/dbraw/zinc/01/97/44/575019744.db2.gz QPKMECXAPRPNCZ-GLQYFDAESA-N 0 3 288.391 2.103 20 10 CECDHN COc1cc(Cl)cc(CNCc2cncn2C)c1O ZINC000291545325 625277258 /nfs/dbraw/zinc/27/72/58/625277258.db2.gz LRCYAFFQPOUMAI-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185330479 628228006 /nfs/dbraw/zinc/22/80/06/628228006.db2.gz ATHOBWJJPVMVBB-TZMCWYRMSA-N 0 3 296.386 2.293 20 10 CECDHN CC(C)N(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775409334 628261791 /nfs/dbraw/zinc/26/17/91/628261791.db2.gz FMWLVVHFCZNKPN-ZDUSSCGKSA-N 0 3 277.412 2.270 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794819666 629328519 /nfs/dbraw/zinc/32/85/19/629328519.db2.gz XBGHBDVXSJFHAL-YPMHNXCESA-N 0 3 285.409 2.174 20 10 CECDHN CCc1nc([C@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894370707 629400646 /nfs/dbraw/zinc/40/06/46/629400646.db2.gz OEZXHOBJXTXDBS-JTQLQIEISA-N 0 3 290.367 2.241 20 10 CECDHN COc1ccc(CN2C[C@@H]3C[C@H]2CS3)c(O)c1OC ZINC000894867745 629705693 /nfs/dbraw/zinc/70/56/93/629705693.db2.gz YRIQADJIOCOUPM-QWRGUYRKSA-N 0 3 281.377 2.099 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000796497694 629919491 /nfs/dbraw/zinc/91/94/91/629919491.db2.gz ODAOFKPHYRACIQ-NWDGAFQWSA-N 0 3 265.353 2.163 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](CC)C(=O)OC)c([O-])c1 ZINC000895119889 629922723 /nfs/dbraw/zinc/92/27/23/629922723.db2.gz IQSQURPJSGPWJR-NSHDSACASA-N 0 3 281.352 2.080 20 10 CECDHN COc1ccc(O)c(CNCc2cc(N(C)C)ccn2)c1 ZINC000896298272 630521297 /nfs/dbraw/zinc/52/12/97/630521297.db2.gz HXXDYRVDDQMDNV-UHFFFAOYSA-N 0 3 287.363 2.152 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@@H]23)c([O-])c1 ZINC000896427951 630562702 /nfs/dbraw/zinc/56/27/02/630562702.db2.gz IVBMTUWAHOXXFU-GJZGRUSLSA-N 0 3 292.448 2.370 20 10 CECDHN CCO[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000897067934 630915056 /nfs/dbraw/zinc/91/50/56/630915056.db2.gz FEYMSAUNUVTJEQ-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000897067934 630915059 /nfs/dbraw/zinc/91/50/59/630915059.db2.gz FEYMSAUNUVTJEQ-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@H](C)O)c([O-])c1 ZINC000824921744 635526035 /nfs/dbraw/zinc/52/60/35/635526035.db2.gz PQVHBLCLROEXSJ-GWCFXTLKSA-N 0 3 253.342 2.040 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897781093 631913358 /nfs/dbraw/zinc/91/33/58/631913358.db2.gz OXKLQZZBLRYUTP-FZWSLVFFSA-N 0 3 277.364 2.448 20 10 CECDHN COCC[C@H](COC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000811517143 632394210 /nfs/dbraw/zinc/39/42/10/632394210.db2.gz JLBGIFVKYOEZFX-CYBMUJFWSA-N 0 3 287.787 2.495 20 10 CECDHN Cn1nc2c(c1C[NH2+]Cc1cc(F)ccc1[O-])CCCC2 ZINC000812773619 632575410 /nfs/dbraw/zinc/57/54/10/632575410.db2.gz JBCIGCOGGDFMCX-UHFFFAOYSA-N 0 3 289.354 2.433 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c([O-])c1 ZINC000815160116 632974960 /nfs/dbraw/zinc/97/49/60/632974960.db2.gz PYONITMESVRFMB-MLGOLLRUSA-N 0 3 279.380 2.432 20 10 CECDHN C[NH+](C)C1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000817770228 633740556 /nfs/dbraw/zinc/74/05/56/633740556.db2.gz KIMNPNWBZFQECG-UHFFFAOYSA-N 0 3 268.382 2.056 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1ccc(F)cc1[O-] ZINC000817949367 633795160 /nfs/dbraw/zinc/79/51/60/633795160.db2.gz JWHPXMIDSRLWTH-JQWIXIFHSA-N 0 3 252.333 2.324 20 10 CECDHN CC(C)[NH2+]CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817952247 633795897 /nfs/dbraw/zinc/79/58/97/633795897.db2.gz CXSRYLCBSSWQJY-LLVKDONJSA-N 0 3 281.356 2.339 20 10 CECDHN C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(Cl)ccc1[O-] ZINC000817959427 633801903 /nfs/dbraw/zinc/80/19/03/633801903.db2.gz FWPAWXKWAIFRKX-PRHODGIISA-N 0 3 254.761 2.434 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972632 633815573 /nfs/dbraw/zinc/81/55/73/633815573.db2.gz YVPDWSDZUXVXDP-MXWKQRLJSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972632 633815582 /nfs/dbraw/zinc/81/55/82/633815582.db2.gz YVPDWSDZUXVXDP-MXWKQRLJSA-N 0 3 279.340 2.092 20 10 CECDHN CCN1CCC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391974 635088403 /nfs/dbraw/zinc/08/84/03/635088403.db2.gz KDVIAXXSSDKXAP-BBRMVZONSA-N 0 3 289.423 2.414 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(OC)CCCC1 ZINC000824445484 635429260 /nfs/dbraw/zinc/42/92/60/635429260.db2.gz AWGVMQMQYGDQMT-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN [O-]c1ccccc1C[NH2+]CC1(CF)CCOCC1 ZINC000824794619 635499782 /nfs/dbraw/zinc/49/97/82/635499782.db2.gz FLHOPUFJQGCQPY-UHFFFAOYSA-N 0 3 253.317 2.248 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000825045635 635547992 /nfs/dbraw/zinc/54/79/92/635547992.db2.gz IJNJUHWRJYNORA-GFCCVEGCSA-N 0 3 289.379 2.245 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000825232477 635594781 /nfs/dbraw/zinc/59/47/81/635594781.db2.gz WQBOYBRFGDOEST-SMDDNHRTSA-N 0 3 265.353 2.042 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@H](O)C[C@H](C)C2)c1O ZINC000825316506 635613295 /nfs/dbraw/zinc/61/32/95/635613295.db2.gz OYLIRNZIAYJTIS-JOYOIKCWSA-N 0 3 285.771 2.257 20 10 CECDHN CCOC(=O)N1CCCN(Cc2ccc(C)cc2O)CC1 ZINC000876655135 650378768 /nfs/dbraw/zinc/37/87/68/650378768.db2.gz XODHSMPGGCSNSI-UHFFFAOYSA-N 0 3 292.379 2.365 20 10 CECDHN COCCN(C/C=C\c1ccc(N(C)C)cc1)CCOC ZINC000835024969 638028507 /nfs/dbraw/zinc/02/85/07/638028507.db2.gz FCSSZKYCXHYDGU-WAYWQWQTSA-N 0 3 292.423 2.361 20 10 CECDHN CN(C)c1ccc(/C=C/CNCC2(C)OCCO2)cc1 ZINC000835041412 638035362 /nfs/dbraw/zinc/03/53/62/638035362.db2.gz LKKIMBPJAHDNGN-SNAWJCMRSA-N 0 3 276.380 2.118 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@H](CO)CC(F)F)cc1 ZINC000835047985 638038241 /nfs/dbraw/zinc/03/82/41/638038241.db2.gz DLNQMZWRWNQIEZ-SCOBNMCVSA-N 0 3 284.350 2.372 20 10 CECDHN CNC(=O)CC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876759563 650423494 /nfs/dbraw/zinc/42/34/94/650423494.db2.gz NFNHSFIFXKNWKR-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000876763446 650424587 /nfs/dbraw/zinc/42/45/87/650424587.db2.gz GSBVULDISKLLIE-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000876763446 650424588 /nfs/dbraw/zinc/42/45/88/650424588.db2.gz GSBVULDISKLLIE-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000876926479 650488747 /nfs/dbraw/zinc/48/87/47/650488747.db2.gz WOZMHYODYNSRRS-CQSZACIVSA-N 0 3 283.375 2.446 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876945193 650499449 /nfs/dbraw/zinc/49/94/49/650499449.db2.gz VMCWNLDWFZGHGC-GFCCVEGCSA-N 0 3 264.369 2.095 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840827026 639554501 /nfs/dbraw/zinc/55/45/01/639554501.db2.gz ZHLNGEOQCZQKJO-UIMWLRQOSA-N 0 3 281.327 2.083 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000840962637 639602407 /nfs/dbraw/zinc/60/24/07/639602407.db2.gz INDNEVQFLYHNTI-AWEZNQCLSA-N 0 3 275.323 2.397 20 10 CECDHN [NH3+]C1(CNCc2c([O-])ccc(Cl)c2F)CCC1 ZINC000841048360 639631946 /nfs/dbraw/zinc/63/19/46/639631946.db2.gz HXHIUWBYEMNREG-UHFFFAOYSA-N 0 3 258.724 2.156 20 10 CECDHN C[C@@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062126 639638203 /nfs/dbraw/zinc/63/82/03/639638203.db2.gz GIHQKSQVCCJPBI-BDAKNGLRSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064418 639639245 /nfs/dbraw/zinc/63/92/45/639639245.db2.gz QGXHUGDSUQVUQS-CABZTGNLSA-N 0 3 299.212 2.242 20 10 CECDHN C[C@H]1CNCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064880 639641027 /nfs/dbraw/zinc/64/10/27/639641027.db2.gz VMOPNNGJTDHWOV-QPUJVOFHSA-N 0 3 272.751 2.272 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCn2cccn2)c1[O-] ZINC000228671822 639651467 /nfs/dbraw/zinc/65/14/67/639651467.db2.gz CDMSUTFNDJRVIQ-UHFFFAOYSA-N 0 3 281.743 2.041 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CN)C2CCCC2)c([O-])c1 ZINC000841085650 639651852 /nfs/dbraw/zinc/65/18/52/639651852.db2.gz AESWGWDTYQIXCF-OAHLLOKOSA-N 0 3 278.396 2.398 20 10 CECDHN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCCNC1 ZINC000841089113 639653572 /nfs/dbraw/zinc/65/35/72/639653572.db2.gz DROVTMHBAHRNTH-NSHDSACASA-N 0 3 299.212 2.386 20 10 CECDHN [O-]c1c(Br)cccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841089113 639653575 /nfs/dbraw/zinc/65/35/75/639653575.db2.gz DROVTMHBAHRNTH-NSHDSACASA-N 0 3 299.212 2.386 20 10 CECDHN [NH3+]CC[C@@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000841089897 639653654 /nfs/dbraw/zinc/65/36/54/639653654.db2.gz BPSFNHBKEWAROA-SNVBAGLBSA-N 0 3 282.693 2.415 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000877014830 650532129 /nfs/dbraw/zinc/53/21/29/650532129.db2.gz SDJGHMSBBSSPID-OAHLLOKOSA-N 0 3 271.360 2.394 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000842909558 640219685 /nfs/dbraw/zinc/21/96/85/640219685.db2.gz JACBOJSUWBZUGS-UMVBOHGHSA-N 0 3 265.353 2.155 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000877084401 650565311 /nfs/dbraw/zinc/56/53/11/650565311.db2.gz MOAFOVRQRHZDSC-LBPRGKRZSA-N 0 3 257.337 2.071 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313015 640673210 /nfs/dbraw/zinc/67/32/10/640673210.db2.gz PQQFNDNHZGFSAY-GXTWGEPZSA-N 0 3 290.363 2.416 20 10 CECDHN Cc1ccc(CN2CCN(Cc3ccncc3)CC2)c(O)c1 ZINC000877169110 650607261 /nfs/dbraw/zinc/60/72/61/650607261.db2.gz GYYPGYSXCBBNDA-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN Cc1ccc(C[N@H+](C)CCc2cnccn2)c([O-])c1 ZINC000877172017 650609491 /nfs/dbraw/zinc/60/94/91/650609491.db2.gz NILIBELOZBKFRN-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN Cc1ccc(C[N@@H+](C)CCc2cnccn2)c([O-])c1 ZINC000877172017 650609492 /nfs/dbraw/zinc/60/94/92/650609492.db2.gz NILIBELOZBKFRN-UHFFFAOYSA-N 0 3 257.337 2.165 20 10 CECDHN CC[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846108715 641183516 /nfs/dbraw/zinc/18/35/16/641183516.db2.gz QTYGKMRMFNQUKM-HOCLYGCPSA-N 0 3 279.380 2.365 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179873526 641389605 /nfs/dbraw/zinc/38/96/05/641389605.db2.gz JRLLXVLDAGLQHK-QWHCGFSZSA-N 0 3 267.369 2.076 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185117676 641938044 /nfs/dbraw/zinc/93/80/44/641938044.db2.gz AKEQERDXOCAVPQ-WCQYABFASA-N 0 3 285.359 2.215 20 10 CECDHN C[C@H](CCS(C)(=O)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185791842 642029304 /nfs/dbraw/zinc/02/93/04/642029304.db2.gz AJFVKUYWZVEZAR-NXEZZACHSA-N 0 3 289.372 2.005 20 10 CECDHN CCN(Cc1ccc(C)cc1O)C[C@H](O)C(F)(F)F ZINC000877429419 650716453 /nfs/dbraw/zinc/71/64/53/650716453.db2.gz XYJBBKLTLLPQFT-LBPRGKRZSA-N 0 3 277.286 2.446 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848564420 642055755 /nfs/dbraw/zinc/05/57/55/642055755.db2.gz NDFNKNCBLHAHFJ-NWDGAFQWSA-N 0 3 286.379 2.037 20 10 CECDHN CCc1cccc(CN2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000848880623 642167820 /nfs/dbraw/zinc/16/78/20/642167820.db2.gz GMUHZANFMLWFCG-OAHLLOKOSA-N 0 3 288.391 2.198 20 10 CECDHN COC(=O)N1CCC(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877520013 650763431 /nfs/dbraw/zinc/76/34/31/650763431.db2.gz XASBZEQFTMHTTG-UHFFFAOYSA-N 0 3 292.379 2.269 20 10 CECDHN CN(C)c1ccc(CNC/C=C/CO)c(C(F)(F)F)c1 ZINC000850357610 642681084 /nfs/dbraw/zinc/68/10/84/642681084.db2.gz POPOCEIVFVZETH-ONEGZZNKSA-N 0 3 288.313 2.410 20 10 CECDHN CON(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850479281 642725600 /nfs/dbraw/zinc/72/56/00/642725600.db2.gz PFJZLCZNAVNXKB-KOLCDFICSA-N 0 3 268.332 2.162 20 10 CECDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCOC1 ZINC000850484444 642728629 /nfs/dbraw/zinc/72/86/29/642728629.db2.gz IXJOAZXMADLHDI-KCQAQPDRSA-N 0 3 277.364 2.021 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850548536 642749309 /nfs/dbraw/zinc/74/93/09/642749309.db2.gz UVCUXHXHNYTAJS-GXSJLCMTSA-N 0 3 296.342 2.367 20 10 CECDHN CCNC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)C(C)C ZINC000922145845 642905228 /nfs/dbraw/zinc/90/52/28/642905228.db2.gz CSYOFSJGTRGLNL-INIZCTEOSA-N 0 3 290.407 2.262 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCO[C@H]1CC1(F)F ZINC000877627821 650820547 /nfs/dbraw/zinc/82/05/47/650820547.db2.gz WBOIBCZCABBDCC-LBPRGKRZSA-N 0 3 257.280 2.214 20 10 CECDHN Cc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c([O-])c1 ZINC000877626838 650820569 /nfs/dbraw/zinc/82/05/69/650820569.db2.gz BNIJCLXAGJFYFW-GFCCVEGCSA-N 0 3 257.280 2.214 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000877636212 650826499 /nfs/dbraw/zinc/82/64/99/650826499.db2.gz QGMWIBPERBQZAH-OAHLLOKOSA-N 0 3 290.407 2.044 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)CCCCO1 ZINC000922816969 643280625 /nfs/dbraw/zinc/28/06/25/643280625.db2.gz LVHIRFISPJXDQU-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877655101 650836153 /nfs/dbraw/zinc/83/61/53/650836153.db2.gz OFCXAEWCNLBKJZ-AWEZNQCLSA-N 0 3 275.348 2.442 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877682243 650848380 /nfs/dbraw/zinc/84/83/80/650848380.db2.gz MPUWFGXRCFVIGM-SCYJSFNGSA-N 0 3 259.349 2.214 20 10 CECDHN CCOC(=O)[C@@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC000877696696 650855802 /nfs/dbraw/zinc/85/58/02/650855802.db2.gz WHCHWSXWGVLNPM-LBPRGKRZSA-N 0 3 299.317 2.413 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000111235474 643733649 /nfs/dbraw/zinc/73/36/49/643733649.db2.gz ATHODBQZUJFLRK-INIZCTEOSA-N 0 3 271.360 2.428 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)Cc1ccccc1 ZINC000111235474 643733651 /nfs/dbraw/zinc/73/36/51/643733651.db2.gz ATHODBQZUJFLRK-INIZCTEOSA-N 0 3 271.360 2.428 20 10 CECDHN COC(=O)C[C@@](C)([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000877706860 650863066 /nfs/dbraw/zinc/86/30/66/650863066.db2.gz JZOPUSZLXJBRBF-OAHLLOKOSA-N 0 3 263.337 2.214 20 10 CECDHN COc1cccc(CN2CC3(CC(F)C3)C2)c1O ZINC000839139495 644171707 /nfs/dbraw/zinc/17/17/07/644171707.db2.gz HAQHZFLZYZBCCA-UHFFFAOYSA-N 0 3 251.301 2.335 20 10 CECDHN C[C@@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1[O-] ZINC000877756241 650899200 /nfs/dbraw/zinc/89/92/00/650899200.db2.gz AGHBRNVVEIYTKJ-LLVKDONJSA-N 0 3 272.352 2.099 20 10 CECDHN CNC(=O)CCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756483579 644653607 /nfs/dbraw/zinc/65/36/07/644653607.db2.gz PADHCWHQIXVZLS-GXSJLCMTSA-N 0 3 280.343 2.195 20 10 CECDHN C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(F)ccc1[O-] ZINC000756769067 644690027 /nfs/dbraw/zinc/69/00/27/644690027.db2.gz JBOSNDSUWBPXRZ-BXKDBHETSA-N 0 3 253.317 2.343 20 10 CECDHN C[C@@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756765064 644690610 /nfs/dbraw/zinc/69/06/10/644690610.db2.gz NHYWLOHTPRVLCN-IQJOONFLSA-N 0 3 253.317 2.440 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccccc1[O-] ZINC000857068527 644808729 /nfs/dbraw/zinc/80/87/29/644808729.db2.gz YASQDKHONMHTNM-OCCSQVGLSA-N 0 3 262.353 2.054 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CCc1ccccn1 ZINC000757887844 644853869 /nfs/dbraw/zinc/85/38/69/644853869.db2.gz VJLNNFGLJYLGHS-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CCc1ccccn1 ZINC000757887844 644853870 /nfs/dbraw/zinc/85/38/70/644853870.db2.gz VJLNNFGLJYLGHS-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2ccccc2[O-])c[nH]1 ZINC000858288837 645107457 /nfs/dbraw/zinc/10/74/57/645107457.db2.gz FFSZYFIUWZENFR-CJNGLKHVSA-N 0 3 286.331 2.113 20 10 CECDHN CC[C@H](N[C@@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435137 645158876 /nfs/dbraw/zinc/15/88/76/645158876.db2.gz WZJSMKNUUHLJHB-KBPBESRZSA-N 0 3 289.379 2.208 20 10 CECDHN CC[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000760537058 645169032 /nfs/dbraw/zinc/16/90/32/645169032.db2.gz AKNKKFYIOHJJHM-OAHLLOKOSA-N 0 3 277.364 2.440 20 10 CECDHN CC[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000760537058 645169036 /nfs/dbraw/zinc/16/90/36/645169036.db2.gz AKNKKFYIOHJJHM-OAHLLOKOSA-N 0 3 277.364 2.440 20 10 CECDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C1CCC1 ZINC000858602583 645218296 /nfs/dbraw/zinc/21/82/96/645218296.db2.gz CTAJPFPKYVFTEU-UONOGXRCSA-N 0 3 286.375 2.123 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000878242129 651043735 /nfs/dbraw/zinc/04/37/35/651043735.db2.gz NCIPLYGNQGRKDY-OAHLLOKOSA-N 0 3 293.407 2.270 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(O)CCCCC1 ZINC000878242129 651043738 /nfs/dbraw/zinc/04/37/38/651043738.db2.gz NCIPLYGNQGRKDY-OAHLLOKOSA-N 0 3 293.407 2.270 20 10 CECDHN CCCCC[N@H+](CCO)Cc1c([O-])cccc1OC ZINC000768241217 646100553 /nfs/dbraw/zinc/10/05/53/646100553.db2.gz OOVVQEVNYNPGQI-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCCC[N@@H+](CCO)Cc1c([O-])cccc1OC ZINC000768241217 646100556 /nfs/dbraw/zinc/10/05/56/646100556.db2.gz OOVVQEVNYNPGQI-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000769531626 646283307 /nfs/dbraw/zinc/28/33/07/646283307.db2.gz DPTDYVPYRIUDQC-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000769531626 646283311 /nfs/dbraw/zinc/28/33/11/646283311.db2.gz DPTDYVPYRIUDQC-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000862487297 646478558 /nfs/dbraw/zinc/47/85/58/646478558.db2.gz OAYHCRFJOANEEO-CYBMUJFWSA-N 0 3 261.321 2.134 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000771928170 646571944 /nfs/dbraw/zinc/57/19/44/646571944.db2.gz QKLPIELUMXXYSC-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000771928170 646571945 /nfs/dbraw/zinc/57/19/45/646571945.db2.gz QKLPIELUMXXYSC-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000772980903 646692078 /nfs/dbraw/zinc/69/20/78/646692078.db2.gz NAHQVCFIONRKGL-ZDUSSCGKSA-N 0 3 289.423 2.462 20 10 CECDHN CCN(CC)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775408773 646951222 /nfs/dbraw/zinc/95/12/22/646951222.db2.gz BTEXGCZIXSODJB-ZDUSSCGKSA-N 0 3 277.412 2.272 20 10 CECDHN CC[C@H]([NH2+]CCCS(=O)(=O)CC)c1ccccc1[O-] ZINC000775411337 646951676 /nfs/dbraw/zinc/95/16/76/646951676.db2.gz DJWXLRZGETWWKJ-ZDUSSCGKSA-N 0 3 285.409 2.258 20 10 CECDHN CC[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000775416811 646952681 /nfs/dbraw/zinc/95/26/81/646952681.db2.gz YANGBNQLNXDGOW-AWEZNQCLSA-N 0 3 276.380 2.492 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775501299 646960575 /nfs/dbraw/zinc/96/05/75/646960575.db2.gz GCMIVIQYMFUXGC-WCQYABFASA-N 0 3 286.803 2.009 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000779014877 647282455 /nfs/dbraw/zinc/28/24/55/647282455.db2.gz QSXFAPDSZIDWIP-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000779014877 647282460 /nfs/dbraw/zinc/28/24/60/647282460.db2.gz QSXFAPDSZIDWIP-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1[O-] ZINC000866412925 647779161 /nfs/dbraw/zinc/77/91/61/647779161.db2.gz OAEATXDGIRALNE-DZGCQCFKSA-N 0 3 292.423 2.278 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000866415920 647779996 /nfs/dbraw/zinc/77/99/96/647779996.db2.gz IKSAVTGBIUBVEL-MWGHHZFTSA-N 0 3 265.328 2.440 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788271126 648168169 /nfs/dbraw/zinc/16/81/69/648168169.db2.gz YODKCHKVQUFAHU-BXKDBHETSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788271126 648168171 /nfs/dbraw/zinc/16/81/71/648168171.db2.gz YODKCHKVQUFAHU-BXKDBHETSA-N 0 3 255.745 2.309 20 10 CECDHN COc1ccc(C[NH2+]Cc2cccc(OC)c2O)c([O-])c1 ZINC000793389098 648748983 /nfs/dbraw/zinc/74/89/83/648748983.db2.gz VPDFWBAHRIXFBO-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN C[C@@H](NC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1O ZINC000870988278 648971308 /nfs/dbraw/zinc/97/13/08/648971308.db2.gz LEGXVUSLORCYRP-MLGOLLRUSA-N 0 3 296.370 2.456 20 10 CECDHN CCN(C#N)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000878455287 651101728 /nfs/dbraw/zinc/10/17/28/651101728.db2.gz VJSIGSOQXAOZOQ-CYBMUJFWSA-N 0 3 260.385 2.206 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1[O-] ZINC000879648732 651335268 /nfs/dbraw/zinc/33/52/68/651335268.db2.gz BFIJXCSMBFESOU-CHWSQXEVSA-N 0 3 291.347 2.214 20 10 CECDHN CN(C)c1ccc(Cn2cc([C@H](N)C(C)(C)C)nn2)cc1 ZINC000881272175 651658051 /nfs/dbraw/zinc/65/80/51/651658051.db2.gz PGHIHZJNUNZZDH-HNNXBMFYSA-N 0 3 287.411 2.438 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)CO1 ZINC000883255774 652416067 /nfs/dbraw/zinc/41/60/67/652416067.db2.gz DTPLNCIIFWHQOB-OAHLLOKOSA-N 0 3 291.391 2.458 20 10 CECDHN C[C@H](NCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000135108373 652929675 /nfs/dbraw/zinc/92/96/75/652929675.db2.gz DKYYCXQCQRQQOY-AWEZNQCLSA-N 0 3 289.423 2.416 20 10 CECDHN COc1ccc2c(c1)C[C@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001168245100 806437576 /nfs/dbraw/zinc/43/75/76/806437576.db2.gz UKMZUTQVXLSTAL-CQSZACIVSA-N 0 3 285.343 2.363 20 10 CECDHN COc1ccc(N2CCN(C[C@@H]3C[C@@H]3C)CC2)c(OC)c1 ZINC001209426377 802522741 /nfs/dbraw/zinc/52/27/41/802522741.db2.gz KEYIWQIRUAWVFF-KBPBESRZSA-N 0 3 290.407 2.482 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC001140057768 802549694 /nfs/dbraw/zinc/54/96/94/802549694.db2.gz LJOAXTFMIMDZBC-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC001140057768 802549701 /nfs/dbraw/zinc/54/97/01/802549701.db2.gz LJOAXTFMIMDZBC-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@]1([NH3+])CCN(Cc2c([O-])cccc2Br)C1 ZINC000706867029 802847076 /nfs/dbraw/zinc/84/70/76/802847076.db2.gz LQYUESCEZLLGAK-LBPRGKRZSA-N 0 3 285.185 2.078 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723543901 802884257 /nfs/dbraw/zinc/88/42/57/802884257.db2.gz BIMSUAIZIKDSEO-CHWSQXEVSA-N 0 3 276.380 2.220 20 10 CECDHN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000723547377 802885562 /nfs/dbraw/zinc/88/55/62/802885562.db2.gz HBPHMDKIZBQWIP-MNOVXSKESA-N 0 3 280.343 2.050 20 10 CECDHN CC(C)(C)OC(=O)N1CC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000724920034 803347704 /nfs/dbraw/zinc/34/77/04/803347704.db2.gz CRJYMUZZLIVBFE-CYBMUJFWSA-N 0 3 292.379 2.491 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H](COC)OC)c1ccccc1[O-] ZINC000694313415 803529909 /nfs/dbraw/zinc/52/99/09/803529909.db2.gz UYEHGLVEJVXINH-TZMCWYRMSA-N 0 3 267.369 2.484 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032002 803670094 /nfs/dbraw/zinc/67/00/94/803670094.db2.gz PUMMTBJSHACRII-MEDUHNTESA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032002 803670095 /nfs/dbraw/zinc/67/00/95/803670095.db2.gz PUMMTBJSHACRII-MEDUHNTESA-N 0 3 295.379 2.002 20 10 CECDHN c1cc(CN[C@@H]2CCCC23OCCO3)cc2c1OCC2 ZINC000715636770 814979145 /nfs/dbraw/zinc/97/91/45/814979145.db2.gz VCJAXBKDHJVLIU-OAHLLOKOSA-N 0 3 275.348 2.007 20 10 CECDHN COc1ccc(N2CCC(NCc3cc[nH]n3)CC2)cc1 ZINC000066992268 804483499 /nfs/dbraw/zinc/48/34/99/804483499.db2.gz UOXYEHFUHQOTBS-UHFFFAOYSA-N 0 3 286.379 2.177 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)c([O-])c1 ZINC000716775368 815146231 /nfs/dbraw/zinc/14/62/31/815146231.db2.gz UEOKFEVKLPSOKH-MWLCHTKSSA-N 0 3 259.296 2.367 20 10 CECDHN CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC001172027360 815272485 /nfs/dbraw/zinc/27/24/85/815272485.db2.gz VLDNXDVTZVUWNC-RYUDHWBXSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])CN1CCCC1 ZINC000700779729 809349000 /nfs/dbraw/zinc/34/90/00/809349000.db2.gz CEBURRCIPWBNDR-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN C[C@@H](CNCc1ccc(F)c(F)c1[O-])C[NH+]1CCCC1 ZINC000700779729 809349007 /nfs/dbraw/zinc/34/90/07/809349007.db2.gz CEBURRCIPWBNDR-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291731 809817818 /nfs/dbraw/zinc/81/78/18/809817818.db2.gz SAEMOLVLXQAZOH-RYUDHWBXSA-N 0 3 261.369 2.104 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccccc1[O-] ZINC000708660846 809933172 /nfs/dbraw/zinc/93/31/72/809933172.db2.gz WVJKGPZXCIKFAX-FZMZJTMJSA-N 0 3 274.364 2.196 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000381332407 810328698 /nfs/dbraw/zinc/32/86/98/810328698.db2.gz BTZNKBSPVGNBTI-GXFFZTMASA-N 0 3 266.772 2.229 20 10 CECDHN C[C@H]1[NH2+]CCN(Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000379501897 811051154 /nfs/dbraw/zinc/05/11/54/811051154.db2.gz WWQPNGIJJIBBJI-ZJUUUORDSA-N 0 3 254.761 2.228 20 10 CECDHN C[C@@H]1[NH2+]CCN(Cc2cc(Cl)ccc2[O-])[C@H]1C ZINC000379501894 811051481 /nfs/dbraw/zinc/05/14/81/811051481.db2.gz WWQPNGIJJIBBJI-UWVGGRQHSA-N 0 3 254.761 2.228 20 10 CECDHN COC(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001172791623 815523377 /nfs/dbraw/zinc/52/33/77/815523377.db2.gz MITQGXNRSPFEIB-AAEUAGOBSA-N 0 3 293.363 2.309 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173122146 815587126 /nfs/dbraw/zinc/58/71/26/815587126.db2.gz UEIXXMSGWBDJSI-NSHDSACASA-N 0 3 260.362 2.496 20 10 CECDHN O=c1[nH]cccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000714954663 814923683 /nfs/dbraw/zinc/92/36/83/814923683.db2.gz WAAYPLMBWMIVTP-GFCCVEGCSA-N 0 3 256.305 2.270 20 10 CECDHN CCN(CCC[NH+](C)C)Cc1c([O-])cccc1F ZINC001137839860 815694567 /nfs/dbraw/zinc/69/45/67/815694567.db2.gz MKUMSEHKBQKGSD-UHFFFAOYSA-N 0 3 254.349 2.305 20 10 CECDHN CCNC(=O)[C@@H]1CCCN1Cc1ccc(N(C)C)c(C)c1 ZINC001139674513 816077692 /nfs/dbraw/zinc/07/76/92/816077692.db2.gz UEYNNKLSGJVCLM-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC001140055091 816178714 /nfs/dbraw/zinc/17/87/14/816178714.db2.gz HYBNBMIRQXCDTF-GXFFZTMASA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC001140055091 816178717 /nfs/dbraw/zinc/17/87/17/816178717.db2.gz HYBNBMIRQXCDTF-GXFFZTMASA-N 0 3 281.327 2.305 20 10 CECDHN C[C@@]1(O)CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058343 816180379 /nfs/dbraw/zinc/18/03/79/816180379.db2.gz XABHZVPLTKDVLZ-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN C[C@@]1(O)CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058343 816180384 /nfs/dbraw/zinc/18/03/84/816180384.db2.gz XABHZVPLTKDVLZ-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)O ZINC001140057814 816181442 /nfs/dbraw/zinc/18/14/42/816181442.db2.gz OIZZKWRAPGRKSR-QMTHXVAHSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@]1(C)O ZINC001140057814 816181448 /nfs/dbraw/zinc/18/14/48/816181448.db2.gz OIZZKWRAPGRKSR-QMTHXVAHSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001140950345 816422086 /nfs/dbraw/zinc/42/20/86/816422086.db2.gz ZAETYQAYOXBMOL-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC001140950345 816422092 /nfs/dbraw/zinc/42/20/92/816422092.db2.gz ZAETYQAYOXBMOL-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950940 816423367 /nfs/dbraw/zinc/42/33/67/816423367.db2.gz PYVZZEXHQIKYJQ-OCCSQVGLSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950940 816423372 /nfs/dbraw/zinc/42/33/72/816423372.db2.gz PYVZZEXHQIKYJQ-OCCSQVGLSA-N 0 3 277.364 2.474 20 10 CECDHN Cc1ccc(C[N@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001140957620 816425338 /nfs/dbraw/zinc/42/53/38/816425338.db2.gz FLZDPURUDFWHHM-UHFFFAOYSA-N 0 3 284.359 2.402 20 10 CECDHN Cc1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)c([O-])c1 ZINC001140957620 816425341 /nfs/dbraw/zinc/42/53/41/816425341.db2.gz FLZDPURUDFWHHM-UHFFFAOYSA-N 0 3 284.359 2.402 20 10 CECDHN CCOC(=O)C[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141156607 816490809 /nfs/dbraw/zinc/49/08/09/816490809.db2.gz OKPZUPLCEOPMRK-GFCCVEGCSA-N 0 3 293.363 2.263 20 10 CECDHN CCC(CC)(CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000053047093 362478881 /nfs/dbraw/zinc/47/88/81/362478881.db2.gz GUIDMIWZDSIUAR-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CCC(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000128729190 365802856 /nfs/dbraw/zinc/80/28/56/365802856.db2.gz QPIICEUQEZVPJC-UHFFFAOYSA-N 0 3 290.407 2.453 20 10 CECDHN CCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019962991 361570332 /nfs/dbraw/zinc/57/03/32/361570332.db2.gz FROAUMJTDIVXHR-NSHDSACASA-N 0 3 253.342 2.478 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)ccc3O)[C@H]2C1 ZINC000092097058 364074918 /nfs/dbraw/zinc/07/49/18/364074918.db2.gz XQNCVYVCCLLOJH-HLLBOEOZSA-N 0 3 291.391 2.469 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820662 364232362 /nfs/dbraw/zinc/23/23/62/364232362.db2.gz CAPHPLFFLRHYAN-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820662 364232367 /nfs/dbraw/zinc/23/23/67/364232367.db2.gz CAPHPLFFLRHYAN-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000180188268 368370945 /nfs/dbraw/zinc/37/09/45/368370945.db2.gz VELZQZICLDWULU-ZDUSSCGKSA-N 0 3 278.371 2.449 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000180260066 368375149 /nfs/dbraw/zinc/37/51/49/368375149.db2.gz JTLZNDHFFLZZJL-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000180260066 368375151 /nfs/dbraw/zinc/37/51/51/368375151.db2.gz JTLZNDHFFLZZJL-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000182434418 368561377 /nfs/dbraw/zinc/56/13/77/368561377.db2.gz MAGNTQVPYVQJJP-LBPRGKRZSA-N 0 3 275.352 2.257 20 10 CECDHN CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000183325963 368622002 /nfs/dbraw/zinc/62/20/02/368622002.db2.gz ZVAYQLGGTJESNY-JTQLQIEISA-N 0 3 290.285 2.111 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCSCCCO)c1 ZINC000185378723 368799882 /nfs/dbraw/zinc/79/98/82/368799882.db2.gz YAVLNVBOAWATMH-NSHDSACASA-N 0 3 285.409 2.167 20 10 CECDHN CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000187091526 369100004 /nfs/dbraw/zinc/10/00/04/369100004.db2.gz KEDIIYMBFGKJIV-LBPRGKRZSA-N 0 3 292.379 2.092 20 10 CECDHN CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000187091526 369100005 /nfs/dbraw/zinc/10/00/05/369100005.db2.gz KEDIIYMBFGKJIV-LBPRGKRZSA-N 0 3 292.379 2.092 20 10 CECDHN COCCO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000188920762 369428990 /nfs/dbraw/zinc/42/89/90/369428990.db2.gz XCSXBNTUQCTMCJ-OAHLLOKOSA-N 0 3 279.380 2.246 20 10 CECDHN COCCO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000188920762 369428997 /nfs/dbraw/zinc/42/89/97/369428997.db2.gz XCSXBNTUQCTMCJ-OAHLLOKOSA-N 0 3 279.380 2.246 20 10 CECDHN COc1cccc(C[NH2+]CCCn2ccnc2C)c1[O-] ZINC000263658675 371944469 /nfs/dbraw/zinc/94/44/69/371944469.db2.gz GUPIGNCTUAOUFL-UHFFFAOYSA-N 0 3 275.352 2.086 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)c([O-])c1 ZINC000367436858 373153609 /nfs/dbraw/zinc/15/36/09/373153609.db2.gz HMKREBBJDLCNFP-PZSREKOKSA-N 0 3 288.391 2.408 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)C[C@H]1C ZINC000367668370 373178811 /nfs/dbraw/zinc/17/88/11/373178811.db2.gz HMWYWGOUOLXXLY-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCNC(=O)C[C@H]1C ZINC000367668370 373178816 /nfs/dbraw/zinc/17/88/16/373178816.db2.gz HMWYWGOUOLXXLY-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN CN(C)c1ccc(CN(C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000271252673 373185487 /nfs/dbraw/zinc/18/54/87/373185487.db2.gz ITKJYTFDRWAHDH-CJNGLKHVSA-N 0 3 280.387 2.485 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271422683 373190202 /nfs/dbraw/zinc/19/02/02/373190202.db2.gz MPEUAANETYRBOL-ZDUSSCGKSA-N 0 3 263.337 2.168 20 10 CECDHN CCC1(CO)CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000271776391 373200536 /nfs/dbraw/zinc/20/05/36/373200536.db2.gz HCBCSXXHCHPEQY-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1C ZINC000273444054 373757351 /nfs/dbraw/zinc/75/73/51/373757351.db2.gz ZJXMTRKCGDBIJT-QWHCGFSZSA-N 0 3 297.420 2.094 20 10 CECDHN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000273478920 373759892 /nfs/dbraw/zinc/75/98/92/373759892.db2.gz LLYQEOFBYVYROF-RDDDGLTNSA-N 0 3 281.249 2.495 20 10 CECDHN CCc1nc([C@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000273546619 373761786 /nfs/dbraw/zinc/76/17/86/373761786.db2.gz ZLKFYBXBTYUZEW-ZJUUUORDSA-N 0 3 290.367 2.493 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516865 373762795 /nfs/dbraw/zinc/76/27/95/373762795.db2.gz SSHFQHLKPVQLAD-NWDGAFQWSA-N 0 3 292.379 2.061 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516865 373762799 /nfs/dbraw/zinc/76/27/99/373762799.db2.gz SSHFQHLKPVQLAD-NWDGAFQWSA-N 0 3 292.379 2.061 20 10 CECDHN Cc1cccc(C[NH+]2CCC(C(=O)NC3CC3)CC2)c1[O-] ZINC000371434177 373879674 /nfs/dbraw/zinc/87/96/74/373879674.db2.gz ZZIJIISPWNNUAL-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN COCC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000281726202 375393770 /nfs/dbraw/zinc/39/37/70/375393770.db2.gz UVMRRJBNWIPSIL-QWHCGFSZSA-N 0 3 267.369 2.057 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281719266 375394509 /nfs/dbraw/zinc/39/45/09/375394509.db2.gz UMIBUXRSBGOTPD-DOMZBBRYSA-N 0 3 293.407 2.319 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282342599 375460694 /nfs/dbraw/zinc/46/06/94/375460694.db2.gz OWMNLPZJLSXVMZ-VOJFVSQTSA-N 0 3 267.394 2.262 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000282348719 375462593 /nfs/dbraw/zinc/46/25/93/375462593.db2.gz CKEOJFJJSOAJQS-ZDUSSCGKSA-N 0 3 278.396 2.471 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000282348719 375462599 /nfs/dbraw/zinc/46/25/99/375462599.db2.gz CKEOJFJJSOAJQS-ZDUSSCGKSA-N 0 3 278.396 2.471 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C)C(=O)NCCF)cc1 ZINC000282639895 375536568 /nfs/dbraw/zinc/53/65/68/375536568.db2.gz KHMFTCNLIDWCIZ-CYBMUJFWSA-N 0 3 295.402 2.097 20 10 CECDHN Cc1ccc([C@@H](C)N[C@H](C)C(=O)NCCF)c(O)c1C ZINC000282773578 375570539 /nfs/dbraw/zinc/57/05/39/375570539.db2.gz PAUWIEZEIWBBKN-VXGBXAGGSA-N 0 3 282.359 2.134 20 10 CECDHN CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283855498 375771778 /nfs/dbraw/zinc/77/17/78/375771778.db2.gz HRHDFIYDGBFTBM-WBVHZDCISA-N 0 3 293.407 2.390 20 10 CECDHN CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283855498 375771782 /nfs/dbraw/zinc/77/17/82/375771782.db2.gz HRHDFIYDGBFTBM-WBVHZDCISA-N 0 3 293.407 2.390 20 10 CECDHN CC(=O)NCCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284160607 375819661 /nfs/dbraw/zinc/81/96/61/375819661.db2.gz PVIDIRKHYSSQQX-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000285655832 375842456 /nfs/dbraw/zinc/84/24/56/375842456.db2.gz YRKHMGYFWPYWDV-RYUDHWBXSA-N 0 3 265.353 2.163 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000286334446 375917833 /nfs/dbraw/zinc/91/78/33/375917833.db2.gz YBETXTIWWOIRLE-ZFWWWQNUSA-N 0 3 296.386 2.029 20 10 CECDHN COc1cccc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000289347220 376393487 /nfs/dbraw/zinc/39/34/87/376393487.db2.gz IPOMDWJPEOVSLL-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1[O-] ZINC000289347220 376393495 /nfs/dbraw/zinc/39/34/95/376393495.db2.gz IPOMDWJPEOVSLL-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cccc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1O ZINC000294733259 378016384 /nfs/dbraw/zinc/01/63/84/378016384.db2.gz GLZZBZFWCRWEAK-CQSZACIVSA-N 0 3 292.379 2.363 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](SC)C2)c1[O-] ZINC000294910367 378027870 /nfs/dbraw/zinc/02/78/70/378027870.db2.gz ACMPLAWSZKSXKG-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](SC)C2)c1[O-] ZINC000294910367 378027875 /nfs/dbraw/zinc/02/78/75/378027875.db2.gz ACMPLAWSZKSXKG-LLVKDONJSA-N 0 3 253.367 2.338 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)CO)c1 ZINC000294936373 378029497 /nfs/dbraw/zinc/02/94/97/378029497.db2.gz ZWBOMEQHKUNYIW-LLVKDONJSA-N 0 3 267.369 2.460 20 10 CECDHN Cc1cc(O)c(CN2CC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000295183599 378045879 /nfs/dbraw/zinc/04/58/79/378045879.db2.gz WEZOVKKNGUCWAN-CQSZACIVSA-N 0 3 292.379 2.282 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000294834355 378022664 /nfs/dbraw/zinc/02/26/64/378022664.db2.gz QGBXUTKTSLKUTF-CYBMUJFWSA-N 0 3 265.353 2.448 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](CC)N(C)C ZINC000298569241 378769497 /nfs/dbraw/zinc/76/94/97/378769497.db2.gz KHGCSICNVGPMBS-CQSZACIVSA-N 0 3 278.396 2.471 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CC2COC2)c1[O-] ZINC000529674083 380183465 /nfs/dbraw/zinc/18/34/65/380183465.db2.gz KGIIQUJSJLCWMP-UHFFFAOYSA-N 0 3 286.169 2.199 20 10 CECDHN [O-]c1cccc(Cl)c1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530179325 380196095 /nfs/dbraw/zinc/19/60/95/380196095.db2.gz SURKQHMVYHOVJO-ZDUSSCGKSA-N 0 3 266.772 2.420 20 10 CECDHN Cc1cc(CN[C@H](C(N)=O)C(C)(C)C)ccc1N(C)C ZINC000292701421 291898567 /nfs/dbraw/zinc/89/85/67/291898567.db2.gz DHVIRRBEHCXECM-CQSZACIVSA-N 0 3 277.412 2.051 20 10 CECDHN Cc1c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])cnn1C ZINC000186188482 262312948 /nfs/dbraw/zinc/31/29/48/262312948.db2.gz JMGVXVUDFOICGM-SECBINFHSA-N 0 3 263.316 2.424 20 10 CECDHN CC[C@H](C)N(C)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000217386583 394454513 /nfs/dbraw/zinc/45/45/13/394454513.db2.gz QDQFNYZMZVYPBM-LBPRGKRZSA-N 0 3 266.385 2.221 20 10 CECDHN Cc1cc([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)cc1C ZINC000271190519 394749491 /nfs/dbraw/zinc/74/94/91/394749491.db2.gz LJKHNMRKMGKLGM-UHFFFAOYSA-N 0 3 290.407 2.487 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@](C)(O)CC)c1[O-] ZINC000106448924 394724541 /nfs/dbraw/zinc/72/45/41/394724541.db2.gz ZBXJFVQLVKIRTO-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000360675828 394805608 /nfs/dbraw/zinc/80/56/08/394805608.db2.gz XZLIZXLUKFBKIS-HONMWMINSA-N 0 3 292.354 2.150 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000360675828 394805610 /nfs/dbraw/zinc/80/56/10/394805610.db2.gz XZLIZXLUKFBKIS-HONMWMINSA-N 0 3 292.354 2.150 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000121940045 394805921 /nfs/dbraw/zinc/80/59/21/394805921.db2.gz APXWNDPNLGESII-GXSJLCMTSA-N 0 3 263.259 2.356 20 10 CECDHN COc1ccc([C@@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134226145 394956990 /nfs/dbraw/zinc/95/69/90/394956990.db2.gz PXSFACZTKYFICQ-INIZCTEOSA-N 0 3 273.332 2.224 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@H](n3cccn3)C2)c1 ZINC000373216271 395056682 /nfs/dbraw/zinc/05/66/82/395056682.db2.gz MVALKBTUZHMZEU-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000373216271 395056687 /nfs/dbraw/zinc/05/66/87/395056687.db2.gz MVALKBTUZHMZEU-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000373216271 395056691 /nfs/dbraw/zinc/05/66/91/395056691.db2.gz MVALKBTUZHMZEU-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000374268300 395078558 /nfs/dbraw/zinc/07/85/58/395078558.db2.gz FRTYETOKRYBSBP-RDJZCZTQSA-N 0 3 291.391 2.437 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000177220604 395148050 /nfs/dbraw/zinc/14/80/50/395148050.db2.gz LXTIHVUXEWXRKV-INIZCTEOSA-N 0 3 277.364 2.394 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000177220604 395148053 /nfs/dbraw/zinc/14/80/53/395148053.db2.gz LXTIHVUXEWXRKV-INIZCTEOSA-N 0 3 277.364 2.394 20 10 CECDHN CC(C)N1CCC[C@H](N(C)Cc2ccccc2O)C1=O ZINC000177716204 395155454 /nfs/dbraw/zinc/15/54/54/395155454.db2.gz YJAGTQIJVRFMGE-AWEZNQCLSA-N 0 3 276.380 2.223 20 10 CECDHN CC(C)N1CCC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000177716221 395155498 /nfs/dbraw/zinc/15/54/98/395155498.db2.gz YJAGTQIJVRFMGE-CQSZACIVSA-N 0 3 276.380 2.223 20 10 CECDHN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179561388 395195373 /nfs/dbraw/zinc/19/53/73/395195373.db2.gz HTVFDSJKMPFGEU-HNNXBMFYSA-N 0 3 288.391 2.130 20 10 CECDHN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179561388 395195378 /nfs/dbraw/zinc/19/53/78/395195378.db2.gz HTVFDSJKMPFGEU-HNNXBMFYSA-N 0 3 288.391 2.130 20 10 CECDHN COCCCOCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000181523876 395219276 /nfs/dbraw/zinc/21/92/76/395219276.db2.gz DVTAMAUVZFMTSI-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCCOCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000181523876 395219280 /nfs/dbraw/zinc/21/92/80/395219280.db2.gz DVTAMAUVZFMTSI-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](C)N2CCCCC2)c1[O-] ZINC000038028513 174017639 /nfs/dbraw/zinc/01/76/39/174017639.db2.gz NGKBZBRGZRRKPZ-CYBMUJFWSA-N 0 3 278.396 2.365 20 10 CECDHN COc1ccc(CN[C@@H](C)[C@H](CO)SC)cc1C ZINC000219070579 419463512 /nfs/dbraw/zinc/46/35/12/419463512.db2.gz MJDOZKVMJSMPLJ-FZMZJTMJSA-N 0 3 269.410 2.206 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1 ZINC000184917276 262033431 /nfs/dbraw/zinc/03/34/31/262033431.db2.gz AISGQJBRFQBZKE-LBPRGKRZSA-N 0 3 288.347 2.374 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333684 262050836 /nfs/dbraw/zinc/05/08/36/262050836.db2.gz OGMVDMJFXCOGNG-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185510842 262058085 /nfs/dbraw/zinc/05/80/85/262058085.db2.gz ASDMJINHUITFHY-JTNHKYCSSA-N 0 3 269.410 2.464 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185788553 262070726 /nfs/dbraw/zinc/07/07/26/262070726.db2.gz UHGFOBPWLBJWAZ-QWHCGFSZSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000186089719 262079125 /nfs/dbraw/zinc/07/91/25/262079125.db2.gz REFKCOPUMYSDEY-GFCCVEGCSA-N 0 3 297.420 2.176 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000186443166 262093322 /nfs/dbraw/zinc/09/33/22/262093322.db2.gz IIUHGQFNEBRJST-NEPJUHHUSA-N 0 3 278.352 2.274 20 10 CECDHN C[C@@H](NC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296330704 263190136 /nfs/dbraw/zinc/19/01/36/263190136.db2.gz HTPFBNOJBGKKSK-CYBMUJFWSA-N 0 3 287.407 2.044 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000226584539 263199297 /nfs/dbraw/zinc/19/92/97/263199297.db2.gz XKPKCSLBUWOYIG-LLVKDONJSA-N 0 3 264.344 2.105 20 10 CECDHN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297944512 263212808 /nfs/dbraw/zinc/21/28/08/263212808.db2.gz YIKIVNRQKBWCEV-MRVWCRGKSA-N 0 3 277.364 2.163 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+](C)[C@H]1CCCCNC1=O ZINC000368021859 267135973 /nfs/dbraw/zinc/13/59/73/267135973.db2.gz MPZOSYBBUWJYFH-KGLIPLIRSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)[C@H]1CCCCNC1=O ZINC000368021859 267135977 /nfs/dbraw/zinc/13/59/77/267135977.db2.gz MPZOSYBBUWJYFH-KGLIPLIRSA-N 0 3 276.380 2.444 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037159 267139187 /nfs/dbraw/zinc/13/91/87/267139187.db2.gz MEAYQNXHPALZMD-BDJLRTHQSA-N 0 3 277.364 2.309 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037159 267139189 /nfs/dbraw/zinc/13/91/89/267139189.db2.gz MEAYQNXHPALZMD-BDJLRTHQSA-N 0 3 277.364 2.309 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000368331297 267163175 /nfs/dbraw/zinc/16/31/75/267163175.db2.gz JCAVBSZALRJZPK-XPCVCDNBSA-N 0 3 288.391 2.361 20 10 CECDHN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617706 289557954 /nfs/dbraw/zinc/55/79/54/289557954.db2.gz JWQITPJMKIVZKH-MNOVXSKESA-N 0 3 280.343 2.193 20 10 CECDHN CCC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236965245 328003862 /nfs/dbraw/zinc/00/38/62/328003862.db2.gz UFXGZQXDVRIAJQ-CQSZACIVSA-N 0 3 295.402 2.416 20 10 CECDHN COC[C@@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983272 328237671 /nfs/dbraw/zinc/23/76/71/328237671.db2.gz MFIWOEIPVSJMJC-GOEBONIOSA-N 0 3 292.423 2.335 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccccc1[O-] ZINC000377409039 329014666 /nfs/dbraw/zinc/01/46/66/329014666.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 0 3 257.337 2.323 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccccc1[O-] ZINC000377409039 329014667 /nfs/dbraw/zinc/01/46/67/329014667.db2.gz HIJMHBPETGSBGM-QWRGUYRKSA-N 0 3 257.337 2.323 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1[O-] ZINC000377798500 329030049 /nfs/dbraw/zinc/03/00/49/329030049.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1[O-] ZINC000377798500 329030050 /nfs/dbraw/zinc/03/00/50/329030050.db2.gz IZXNWXZAUMYTES-KOLCDFICSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1[O-] ZINC000377798501 329030174 /nfs/dbraw/zinc/03/01/74/329030174.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1[O-] ZINC000377798501 329030176 /nfs/dbraw/zinc/03/01/76/329030176.db2.gz IZXNWXZAUMYTES-MWLCHTKSSA-N 0 3 275.327 2.463 20 10 CECDHN CCOc1cccc(C[NH2+]CCOC(C)C)c1[O-] ZINC000168954257 329062282 /nfs/dbraw/zinc/06/22/82/329062282.db2.gz USLAMGYSGRLAHR-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000180773525 329222953 /nfs/dbraw/zinc/22/29/53/329222953.db2.gz HSRSUXHMHMKIME-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1[O-] ZINC000180773525 329222954 /nfs/dbraw/zinc/22/29/54/329222954.db2.gz HSRSUXHMHMKIME-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3n[nH]cc3C2)c1 ZINC000186115134 329338039 /nfs/dbraw/zinc/33/80/39/329338039.db2.gz ZVOMIEFVOHYSTR-PWSUYJOCSA-N 0 3 287.363 2.332 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC2COC2)c2c1c(F)ccc2[O-] ZINC000528027484 330305167 /nfs/dbraw/zinc/30/51/67/330305167.db2.gz UHEQOVOCMINOIV-KCJUWKMLSA-N 0 3 251.301 2.316 20 10 CECDHN c1cc(CN[C@H]2CCO[C@H]2C2CC2)cc2c1OCC2 ZINC000230313470 333316429 /nfs/dbraw/zinc/31/64/29/333316429.db2.gz VFKUUJGRPVGDTJ-HOCLYGCPSA-N 0 3 259.349 2.279 20 10 CECDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C[C@H](C)OC ZINC000291059200 521353910 /nfs/dbraw/zinc/35/39/10/521353910.db2.gz JRPJIHSHMVZYQQ-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1cccc(OC)c1[O-])C[C@H](C)OC ZINC000291059200 521353916 /nfs/dbraw/zinc/35/39/16/521353916.db2.gz JRPJIHSHMVZYQQ-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CC(C)C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)N(C)C ZINC000042879588 519351845 /nfs/dbraw/zinc/35/18/45/519351845.db2.gz FQGFQURJMMAAGU-CYBMUJFWSA-N 0 3 294.395 2.187 20 10 CECDHN CC(C)C(=O)NCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037219942 519502021 /nfs/dbraw/zinc/50/20/21/519502021.db2.gz KBQVROUZEYRXHZ-ZDUSSCGKSA-N 0 3 277.412 2.175 20 10 CECDHN CC(C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000070944394 519605414 /nfs/dbraw/zinc/60/54/14/519605414.db2.gz BLVJWMSQBNYGAF-UHFFFAOYSA-N 0 3 277.412 2.051 20 10 CECDHN CC(C)COCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879526 519754134 /nfs/dbraw/zinc/75/41/34/519754134.db2.gz ULQGEDDTKXIYKR-UHFFFAOYSA-N 0 3 281.352 2.273 20 10 CECDHN CCN(CC)c1ccc(CN(C)[C@@H](C)CO)cc1F ZINC000289176401 520892796 /nfs/dbraw/zinc/89/27/96/520892796.db2.gz ABEWAOFJCWLBOV-LBPRGKRZSA-N 0 3 268.376 2.485 20 10 CECDHN CCOc1ccc(N(CC)C[C@H](O)CN(C)C2CC2)cc1 ZINC000289402692 521028110 /nfs/dbraw/zinc/02/81/10/521028110.db2.gz SUAFLRLJSGTPJY-MRXNPFEDSA-N 0 3 292.423 2.367 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](COC)C2)c1[O-] ZINC000211515762 521346062 /nfs/dbraw/zinc/34/60/62/521346062.db2.gz PMOJKHRWFWKKGD-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](COC)C2)c1[O-] ZINC000211515762 521346068 /nfs/dbraw/zinc/34/60/68/521346068.db2.gz PMOJKHRWFWKKGD-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](C)COC)c1[O-] ZINC000045656373 521364689 /nfs/dbraw/zinc/36/46/89/521364689.db2.gz BVOPIQQUBUYVEG-NSHDSACASA-N 0 3 253.342 2.163 20 10 CECDHN CCOc1cccc(C[NH2+]CCc2nccnc2C)c1[O-] ZINC000293043781 521366291 /nfs/dbraw/zinc/36/62/91/521366291.db2.gz QYYFCLCZTPPOKN-UHFFFAOYSA-N 0 3 287.363 2.222 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CO)CC(C)C)c1[O-] ZINC000040773804 521375523 /nfs/dbraw/zinc/37/55/23/521375523.db2.gz XFXJYDLMDLZJOQ-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)CN(CC)CC ZINC000066096233 521688110 /nfs/dbraw/zinc/68/81/10/521688110.db2.gz UHYXRVGNZPJUCP-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CN(C)c1ccc(CN2CCC3(CC2)OCCCO3)cc1 ZINC000292928498 522175023 /nfs/dbraw/zinc/17/50/23/522175023.db2.gz GTFMIGNSCVIWFS-UHFFFAOYSA-N 0 3 290.407 2.482 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@](C)(O)C2)cc1F ZINC000129463491 522178106 /nfs/dbraw/zinc/17/81/06/522178106.db2.gz UDCKNEMCKPIZEW-OAHLLOKOSA-N 0 3 266.360 2.239 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1 ZINC000258668334 522179848 /nfs/dbraw/zinc/17/98/48/522179848.db2.gz FIYJMESILUFERO-HNNXBMFYSA-N 0 3 262.397 2.345 20 10 CECDHN CN(C)c1ccc(CNCc2c[nH]c3nccnc23)cc1F ZINC000290898399 522208936 /nfs/dbraw/zinc/20/89/36/522208936.db2.gz NRENFQGWXWBRAO-UHFFFAOYSA-N 0 3 299.353 2.453 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000280782324 522608947 /nfs/dbraw/zinc/60/89/47/522608947.db2.gz GYJRYSCZWOUNOD-IPYPFGDCSA-N 0 3 279.380 2.078 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1ccc(C)cc1[O-] ZINC000280277971 522639068 /nfs/dbraw/zinc/63/90/68/522639068.db2.gz YGPSQPAXCNQPHK-IVMMDQJWSA-N 0 3 279.380 2.281 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCSC2)cc1OC ZINC000280536166 522782548 /nfs/dbraw/zinc/78/25/48/522782548.db2.gz SGCNSEVAJYGILG-JTQLQIEISA-N 0 3 283.393 2.252 20 10 CECDHN CC[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccccc1[O-] ZINC000278468816 522822163 /nfs/dbraw/zinc/82/21/63/522822163.db2.gz NLYMIOXBFDCYIW-OAHLLOKOSA-N 0 3 290.407 2.298 20 10 CECDHN COCC1(C[NH2+]Cc2cc(C)ccc2[O-])CCOCC1 ZINC000291779576 522899813 /nfs/dbraw/zinc/89/98/13/522899813.db2.gz UTKUPQZCVBGYCL-UHFFFAOYSA-N 0 3 279.380 2.233 20 10 CECDHN COCCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000044655752 523174359 /nfs/dbraw/zinc/17/43/59/523174359.db2.gz XDSYDXFYXZQLNX-NSHDSACASA-N 0 3 253.342 2.478 20 10 CECDHN C[C@@H](CCN(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000049553261 524475400 /nfs/dbraw/zinc/47/54/00/524475400.db2.gz HANIRLMKTGNOSY-JTQLQIEISA-N 0 3 256.777 2.475 20 10 CECDHN C[C@@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037782523 524599411 /nfs/dbraw/zinc/59/94/11/524599411.db2.gz ZMYGQYWRJQJOJR-KBPBESRZSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1 ZINC000277826151 525348228 /nfs/dbraw/zinc/34/82/28/525348228.db2.gz LIRYZKZZQSDRAF-HNNXBMFYSA-N 0 3 292.423 2.291 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000278511781 525722041 /nfs/dbraw/zinc/72/20/41/525722041.db2.gz RMOWYERFHSWBNB-CQSZACIVSA-N 0 3 290.407 2.216 20 10 CECDHN Cc1ccc([C@@H](C)NCC2(S(C)(=O)=O)CC2)c(O)c1C ZINC000280879912 525723370 /nfs/dbraw/zinc/72/33/70/525723370.db2.gz DJKWLXFWXYMQQZ-GFCCVEGCSA-N 0 3 297.420 2.237 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1C ZINC000280879912 525723374 /nfs/dbraw/zinc/72/33/74/525723374.db2.gz DJKWLXFWXYMQQZ-GFCCVEGCSA-N 0 3 297.420 2.237 20 10 CECDHN COc1cccc(CNCc2cn(C)nc2C(F)F)c1O ZINC000290993269 526025856 /nfs/dbraw/zinc/02/58/56/526025856.db2.gz AICDIEQQIKGBNZ-UHFFFAOYSA-N 0 3 297.305 2.362 20 10 CECDHN Cc1nnc(CC[NH2+]Cc2cc(C)ccc2[O-])s1 ZINC000289930029 526329602 /nfs/dbraw/zinc/32/96/02/526329602.db2.gz SZGQJFUWMUEBLI-UHFFFAOYSA-N 0 3 263.366 2.193 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@H]2C)cc1OC ZINC000753575207 574511289 /nfs/dbraw/zinc/51/12/89/574511289.db2.gz GRSVXSHKGBNXKK-ZUZCIYMTSA-N 0 3 281.352 2.067 20 10 CECDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cc([O-])cs1 ZINC000732289521 574618335 /nfs/dbraw/zinc/61/83/35/574618335.db2.gz HXPQTVPIMIRIQX-GHMZBOCLSA-N 0 3 282.409 2.446 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)c([O-])c1 ZINC000732818107 574632407 /nfs/dbraw/zinc/63/24/07/574632407.db2.gz VIZLGPXYHGENSH-OAHLLOKOSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1cc(NCc2ccc(N(C)C)cc2C)nc(N)n1 ZINC000734482670 574715273 /nfs/dbraw/zinc/71/52/73/574715273.db2.gz SIFGDWIKKRXBIC-UHFFFAOYSA-N 0 3 271.368 2.354 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000744449898 575121599 /nfs/dbraw/zinc/12/15/99/575121599.db2.gz HMQAZUKFIDHXQT-ZDUSSCGKSA-N 0 3 278.396 2.222 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(CO)CCCCC1 ZINC000751508967 575290771 /nfs/dbraw/zinc/29/07/71/575290771.db2.gz FCHYAYXQCDQFOM-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN CN(C)C(=O)c1cccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000725843649 625650018 /nfs/dbraw/zinc/65/00/18/625650018.db2.gz BABAQJZXEDFSNB-UHFFFAOYSA-N 0 3 284.359 2.384 20 10 CECDHN CCCNC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891464894 623726626 /nfs/dbraw/zinc/72/66/26/623726626.db2.gz LFJJWEKFXNMVAL-OAHLLOKOSA-N 0 3 292.427 2.065 20 10 CECDHN CCC(O)(CC)C[NH2+]Cc1c([O-])cccc1OC ZINC000725850229 625944658 /nfs/dbraw/zinc/94/46/58/625944658.db2.gz SCBBNIGBPOIZOP-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185530671 628233233 /nfs/dbraw/zinc/23/32/33/628233233.db2.gz SANWJUCVFRHXRJ-VXGBXAGGSA-N 0 3 269.410 2.465 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+](C)C)[C@@H]2C)c1[O-] ZINC000314399513 628751603 /nfs/dbraw/zinc/75/16/03/628751603.db2.gz XASFWSBKQGRZTI-ZUZCIYMTSA-N 0 3 294.370 2.258 20 10 CECDHN CC[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000794813266 629329115 /nfs/dbraw/zinc/32/91/15/629329115.db2.gz IEJGZMWQCUNDBO-AWEZNQCLSA-N 0 3 297.420 2.176 20 10 CECDHN CC[C@H](C)NC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894386651 629419252 /nfs/dbraw/zinc/41/92/52/629419252.db2.gz KPXMEFDLQJBLHA-RYUDHWBXSA-N 0 3 294.395 2.102 20 10 CECDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894386652 629419405 /nfs/dbraw/zinc/41/94/05/629419405.db2.gz KPXMEFDLQJBLHA-VXGBXAGGSA-N 0 3 294.395 2.102 20 10 CECDHN CCOCc1cc(CNC[C@H]2CC(C)=NO2)ccc1OC ZINC000895309519 630097738 /nfs/dbraw/zinc/09/77/38/630097738.db2.gz BUTHOTJFQJOZLH-OAHLLOKOSA-N 0 3 292.379 2.486 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC(C)=NO2)c([O-])c1 ZINC000895312181 630101634 /nfs/dbraw/zinc/10/16/34/630101634.db2.gz VVHQKSDBMPJRJN-ZDUSSCGKSA-N 0 3 264.325 2.045 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](CO)Cc2ccoc2)c([O-])c1 ZINC000895583999 630260487 /nfs/dbraw/zinc/26/04/87/630260487.db2.gz AWINNOMVYAAWDU-CQSZACIVSA-N 0 3 275.348 2.234 20 10 CECDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000895853828 630378111 /nfs/dbraw/zinc/37/81/11/630378111.db2.gz HXHZYVSZJLKWGA-RISCZKNCSA-N 0 3 283.343 2.063 20 10 CECDHN CN(Cc1cnn2c1CCC2)Cc1ccccc1O ZINC000824597999 635460007 /nfs/dbraw/zinc/46/00/07/635460007.db2.gz ZHKYNZQTVKMGRM-UHFFFAOYSA-N 0 3 257.337 2.167 20 10 CECDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000896956564 630842623 /nfs/dbraw/zinc/84/26/23/630842623.db2.gz UGQSOWNGMTXIMU-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000896956564 630842624 /nfs/dbraw/zinc/84/26/24/630842624.db2.gz UGQSOWNGMTXIMU-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCCF ZINC000800499020 631130957 /nfs/dbraw/zinc/13/09/57/631130957.db2.gz SYOJUEUBLHDRAK-YWVKMMECSA-N 0 3 298.333 2.143 20 10 CECDHN COc1ccc(O)c(CN2CC[C@H](OC(F)F)C2)c1 ZINC000802658651 631441811 /nfs/dbraw/zinc/44/18/11/631441811.db2.gz LHVCMTQYVPWENY-NSHDSACASA-N 0 3 273.279 2.214 20 10 CECDHN [NH3+]C[C@@H](NCc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841028034 631809413 /nfs/dbraw/zinc/80/94/13/631809413.db2.gz JSQODZDIEUJVQM-SNVBAGLBSA-N 0 3 258.724 2.012 20 10 CECDHN NC[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841028034 631809421 /nfs/dbraw/zinc/80/94/21/631809421.db2.gz JSQODZDIEUJVQM-SNVBAGLBSA-N 0 3 258.724 2.012 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@H](CCO)C1CCCC1)OCO2 ZINC000897886069 631961957 /nfs/dbraw/zinc/96/19/57/631961957.db2.gz UQBCGJJBNCTLRS-CYBMUJFWSA-N 0 3 293.363 2.152 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697836 632002818 /nfs/dbraw/zinc/00/28/18/632002818.db2.gz WTCKVEBFYYLOHK-PWSUYJOCSA-N 0 3 287.787 2.402 20 10 CECDHN CC1(C)CCN(CC[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000898034991 632029598 /nfs/dbraw/zinc/02/95/98/632029598.db2.gz FVXCGBWENTUMAW-UHFFFAOYSA-N 0 3 266.360 2.353 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000809777493 632144609 /nfs/dbraw/zinc/14/46/09/632144609.db2.gz ALYRCYWIEUQFAP-AWEZNQCLSA-N 0 3 276.380 2.130 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000809777493 632144611 /nfs/dbraw/zinc/14/46/11/632144611.db2.gz ALYRCYWIEUQFAP-AWEZNQCLSA-N 0 3 276.380 2.130 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C)cc1[O-] ZINC000926982791 632404185 /nfs/dbraw/zinc/40/41/85/632404185.db2.gz RQWRKYMGMUNMNF-JSGCOSHPSA-N 0 3 276.380 2.268 20 10 CECDHN CN(C)c1ccc([C@H](CNCc2ccon2)N(C)C)cc1 ZINC000898449571 632498894 /nfs/dbraw/zinc/49/88/94/632498894.db2.gz HSSLZTOLWOLXBJ-INIZCTEOSA-N 0 3 288.395 2.133 20 10 CECDHN CCOc1ccc(C[N@H+](CC)[C@@H]2CCOC2)c([O-])c1 ZINC000812780912 632577124 /nfs/dbraw/zinc/57/71/24/632577124.db2.gz WOKKIPJBRAYWFQ-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](CC)[C@@H]2CCOC2)c([O-])c1 ZINC000812780912 632577126 /nfs/dbraw/zinc/57/71/26/632577126.db2.gz WOKKIPJBRAYWFQ-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CN(Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1O ZINC000816493030 633400012 /nfs/dbraw/zinc/40/00/12/633400012.db2.gz MNBLEXUWFNLJDM-UHFFFAOYSA-N 0 3 298.342 2.355 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000817585195 633701512 /nfs/dbraw/zinc/70/15/12/633701512.db2.gz CCEIJCUDHNQXCE-NSHDSACASA-N 0 3 262.353 2.007 20 10 CECDHN CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817954592 633798354 /nfs/dbraw/zinc/79/83/54/633798354.db2.gz ZMDVMWFKTLKAMD-AAEUAGOBSA-N 0 3 252.333 2.324 20 10 CECDHN C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1c([O-])cccc1F ZINC000900670198 633801141 /nfs/dbraw/zinc/80/11/41/633801141.db2.gz WJABXUFMWGKBGJ-LBPRGKRZSA-N 0 3 294.370 2.412 20 10 CECDHN C[N@H+]1CCCC[C@H]1CCC(=O)NCc1c([O-])cccc1F ZINC000900670198 633801145 /nfs/dbraw/zinc/80/11/45/633801145.db2.gz WJABXUFMWGKBGJ-LBPRGKRZSA-N 0 3 294.370 2.412 20 10 CECDHN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817969040 633812420 /nfs/dbraw/zinc/81/24/20/633812420.db2.gz QGVQPWKLNJIEFD-OUJBWJOFSA-N 0 3 252.333 2.180 20 10 CECDHN Nc1ccc(CCNC(=O)[C@@H](N)CC2CCCCC2)cc1 ZINC000818545131 633942963 /nfs/dbraw/zinc/94/29/63/633942963.db2.gz KIWUTUGGTRYBOQ-INIZCTEOSA-N 0 3 289.423 2.225 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccc(F)cc1[O-] ZINC000818615476 633960759 /nfs/dbraw/zinc/96/07/59/633960759.db2.gz PWRYGOVGPNBTNL-OASPWFOLSA-N 0 3 252.333 2.452 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[O-] ZINC000822812849 635001279 /nfs/dbraw/zinc/00/12/79/635001279.db2.gz OHEPJQQDASXVIW-YPMHNXCESA-N 0 3 276.380 2.442 20 10 CECDHN CC[C@H]([NH2+]CCN1CCCOCC1)c1ccc(C)cc1[O-] ZINC000903226530 635014469 /nfs/dbraw/zinc/01/44/69/635014469.db2.gz GZGBOTCGRCJFLL-INIZCTEOSA-N 0 3 292.423 2.464 20 10 CECDHN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000903406159 635102243 /nfs/dbraw/zinc/10/22/43/635102243.db2.gz GZZFINDKWOMNGD-ZANVPECISA-N 0 3 253.317 2.343 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@H]2CC)c([O-])c1 ZINC000824637173 635467996 /nfs/dbraw/zinc/46/79/96/635467996.db2.gz WKMGHIIEXAMRLA-UKRRQHHQSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@H]2CC)c([O-])c1 ZINC000824637173 635468003 /nfs/dbraw/zinc/46/80/03/635468003.db2.gz WKMGHIIEXAMRLA-UKRRQHHQSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1OC)c1ccccc1[O-] ZINC000824710226 635483360 /nfs/dbraw/zinc/48/33/60/635483360.db2.gz VZSZYXYHEUFOTF-INWMFGNUSA-N 0 3 279.380 2.484 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000824815067 635502932 /nfs/dbraw/zinc/50/29/32/635502932.db2.gz IBWSUQSSDGKHEI-FZMZJTMJSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000824815067 635502937 /nfs/dbraw/zinc/50/29/37/635502937.db2.gz IBWSUQSSDGKHEI-FZMZJTMJSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)C(C)(C)O ZINC000825201080 635590292 /nfs/dbraw/zinc/59/02/92/635590292.db2.gz IQNXMLVETAOYDC-UHFFFAOYSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1cc([O-])c(CN[C@H]2C[NH2+]CC2(C)C)c(Cl)c1 ZINC000904461147 635644148 /nfs/dbraw/zinc/64/41/48/635644148.db2.gz DXHVXJRUPRXMMI-ZDUSSCGKSA-N 0 3 268.788 2.442 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000827365028 636305039 /nfs/dbraw/zinc/30/50/39/636305039.db2.gz IZRLVYWALDFTEY-STQMWFEESA-N 0 3 297.782 2.447 20 10 CECDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000828595064 636637566 /nfs/dbraw/zinc/63/75/66/636637566.db2.gz FRGAFUWCNLUVGI-ZYHUDNBSSA-N 0 3 282.409 2.256 20 10 CECDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000828595064 636637571 /nfs/dbraw/zinc/63/75/71/636637571.db2.gz FRGAFUWCNLUVGI-ZYHUDNBSSA-N 0 3 282.409 2.256 20 10 CECDHN CO[C@@H](C[N@H+](C)Cc1ccccc1[O-])C1CCOCC1 ZINC000876616556 650360827 /nfs/dbraw/zinc/36/08/27/650360827.db2.gz ZKDOOOYCINLPET-INIZCTEOSA-N 0 3 279.380 2.266 20 10 CECDHN CO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C1CCOCC1 ZINC000876616556 650360830 /nfs/dbraw/zinc/36/08/30/650360830.db2.gz ZKDOOOYCINLPET-INIZCTEOSA-N 0 3 279.380 2.266 20 10 CECDHN O=C1CCCCN1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834571987 637873798 /nfs/dbraw/zinc/87/37/98/637873798.db2.gz ZMWSKAGORDCIKU-AWEZNQCLSA-N 0 3 288.391 2.372 20 10 CECDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NC1CCCC1 ZINC000834645716 637902418 /nfs/dbraw/zinc/90/24/18/637902418.db2.gz JVWRQRBISBENIE-CYBMUJFWSA-N 0 3 274.364 2.028 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@@]3(CCOC3)C1)CC2 ZINC000834697451 637922446 /nfs/dbraw/zinc/92/24/46/637922446.db2.gz LHVOACUKANUMHX-VBQJREDUSA-N 0 3 289.375 2.307 20 10 CECDHN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834895404 637980417 /nfs/dbraw/zinc/98/04/17/637980417.db2.gz BHQKRNMIWFEYIT-RYUDHWBXSA-N 0 3 259.353 2.408 20 10 CECDHN CCO[C@@H]1COC[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000835053155 638040937 /nfs/dbraw/zinc/04/09/37/638040937.db2.gz BHSRIRQORCYBMT-SDKBWNRFSA-N 0 3 290.407 2.159 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873238 650467171 /nfs/dbraw/zinc/46/71/71/650467171.db2.gz ZKLYLDWEJOCPPB-MRXNPFEDSA-N 0 3 291.439 2.475 20 10 CECDHN COc1cc(C)cc(CN2CCN(CC3CC3)CC2)c1O ZINC000164191139 639354065 /nfs/dbraw/zinc/35/40/65/639354065.db2.gz OJIKGNOIRVYHAW-UHFFFAOYSA-N 0 3 290.407 2.237 20 10 CECDHN Cc1cccc(CNCC(=O)NCc2ccccc2)c1O ZINC000158124838 639571491 /nfs/dbraw/zinc/57/14/91/639571491.db2.gz IZMQPXMHOVZOBV-UHFFFAOYSA-N 0 3 284.359 2.107 20 10 CECDHN Cn1ncc2c1CCC[N@H+](Cc1ccccc1[O-])C2 ZINC000840954015 639599182 /nfs/dbraw/zinc/59/91/82/639599182.db2.gz BKUISIFBIMRVIK-UHFFFAOYSA-N 0 3 257.337 2.074 20 10 CECDHN Cn1ncc2c1CCC[N@@H+](Cc1ccccc1[O-])C2 ZINC000840954015 639599186 /nfs/dbraw/zinc/59/91/86/639599186.db2.gz BKUISIFBIMRVIK-UHFFFAOYSA-N 0 3 257.337 2.074 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840963884 639602588 /nfs/dbraw/zinc/60/25/88/639602588.db2.gz RIQQJUNWWFLXEN-FZMZJTMJSA-N 0 3 299.798 2.231 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000840977053 639607193 /nfs/dbraw/zinc/60/71/93/639607193.db2.gz FQYHPWGZOQPXSW-TZMCWYRMSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@H]1CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064881 639640702 /nfs/dbraw/zinc/64/07/02/639640702.db2.gz VMOPNNGJTDHWOV-UFBFGSQYSA-N 0 3 272.751 2.272 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000228671160 639651421 /nfs/dbraw/zinc/65/14/21/639651421.db2.gz YMQJTOCHLFPKII-SECBINFHSA-N 0 3 271.744 2.180 20 10 CECDHN [O-]c1c(Br)cccc1C[NH2+]CCCNC1CC1 ZINC000841091826 639654797 /nfs/dbraw/zinc/65/47/97/639654797.db2.gz HEPKZIVPXBHJIB-UHFFFAOYSA-N 0 3 299.212 2.386 20 10 CECDHN COC[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000230672247 639778268 /nfs/dbraw/zinc/77/82/68/639778268.db2.gz WHVWBJBMGHMEKN-RYUDHWBXSA-N 0 3 253.342 2.013 20 10 CECDHN COC[C@@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000230672245 639778671 /nfs/dbraw/zinc/77/86/71/639778671.db2.gz WHVWBJBMGHMEKN-NWDGAFQWSA-N 0 3 253.342 2.013 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000877044976 650545139 /nfs/dbraw/zinc/54/51/39/650545139.db2.gz MXTJDRUKESKTIK-ZIAGYGMSSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCc3n[nH]cc3C2)c([O-])c1 ZINC000877053649 650550851 /nfs/dbraw/zinc/55/08/51/650550851.db2.gz UZQBAOROVOELID-ZDUSSCGKSA-N 0 3 257.337 2.071 20 10 CECDHN CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000842882259 640211491 /nfs/dbraw/zinc/21/14/91/640211491.db2.gz PPJFXOYLJKDBQV-CHWSQXEVSA-N 0 3 288.391 2.369 20 10 CECDHN Cc1ccc(C[NH2+]CCOc2ncccc2F)c([O-])c1 ZINC000877116954 650580311 /nfs/dbraw/zinc/58/03/11/650580311.db2.gz CFHGWEZCIMMLHZ-UHFFFAOYSA-N 0 3 276.311 2.403 20 10 CECDHN COc1cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c(O)cc1C ZINC000844758234 640828524 /nfs/dbraw/zinc/82/85/24/640828524.db2.gz SXRKVHZPQYSMAF-PHIMTYICSA-N 0 3 269.291 2.406 20 10 CECDHN CC[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1[O-] ZINC000126409591 650632872 /nfs/dbraw/zinc/63/28/72/650632872.db2.gz MRLPHJNXOPVJDI-CYBMUJFWSA-N 0 3 260.341 2.115 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846195039 641219041 /nfs/dbraw/zinc/21/90/41/641219041.db2.gz WVKJTSCSYNDFCO-ATZCPNFKSA-N 0 3 282.771 2.269 20 10 CECDHN NC(=O)CC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180010944 641400111 /nfs/dbraw/zinc/40/01/11/641400111.db2.gz AYYUBZXEAVSHNO-LLVKDONJSA-N 0 3 280.343 2.009 20 10 CECDHN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180010944 641400115 /nfs/dbraw/zinc/40/01/15/641400115.db2.gz AYYUBZXEAVSHNO-LLVKDONJSA-N 0 3 280.343 2.009 20 10 CECDHN C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@@H](C)[NH2+]1 ZINC000070075304 641628362 /nfs/dbraw/zinc/62/83/62/641628362.db2.gz LTGGPBGPUYDDLZ-NXEZZACHSA-N 0 3 254.761 2.228 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)CN1CC[C@@H](C)C1 ZINC000847500487 641677229 /nfs/dbraw/zinc/67/72/29/641677229.db2.gz LBFHHWHZPCXWTH-CYBMUJFWSA-N 0 3 289.423 2.019 20 10 CECDHN CCOC(=O)C1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877402082 650707699 /nfs/dbraw/zinc/70/76/99/650707699.db2.gz XDVRDCYOTPTYHS-UHFFFAOYSA-N 0 3 263.337 2.134 20 10 CECDHN C[C@@H]([NH2+]CC1(N)CCC1)c1cc(F)cc(F)c1[O-] ZINC000817965156 642185955 /nfs/dbraw/zinc/18/59/55/642185955.db2.gz QLZKQRRZWKKWBL-MRVPVSSYSA-N 0 3 256.296 2.202 20 10 CECDHN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000848919268 642192044 /nfs/dbraw/zinc/19/20/44/642192044.db2.gz VAHVEBGFRSBACJ-HNNXBMFYSA-N 0 3 288.391 2.129 20 10 CECDHN COc1ccc(N2CC[C@H](N[C@@H](C)c3cnccn3)C2)cc1 ZINC000849322127 642327783 /nfs/dbraw/zinc/32/77/83/642327783.db2.gz OAVDFYRBYYNSGQ-KBPBESRZSA-N 0 3 298.390 2.415 20 10 CECDHN COc1ccc(N2CC[C@H](NCc3n[nH]cc3C)C2)cc1 ZINC000850345974 642675298 /nfs/dbraw/zinc/67/52/98/642675298.db2.gz AXNSWBPKTWTNGZ-ZDUSSCGKSA-N 0 3 286.379 2.095 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000850356356 642680043 /nfs/dbraw/zinc/68/00/43/642680043.db2.gz OVIJNTMYTSYRMF-FKANQGBASA-N 0 3 297.420 2.180 20 10 CECDHN Cc1cncc(CC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000850550694 642750474 /nfs/dbraw/zinc/75/04/74/642750474.db2.gz PJMWLAQFZZYNTL-AWEZNQCLSA-N 0 3 269.348 2.310 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591359 650804062 /nfs/dbraw/zinc/80/40/62/650804062.db2.gz CJIGCKXNYWRACU-MRXNPFEDSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591359 650804065 /nfs/dbraw/zinc/80/40/65/650804065.db2.gz CJIGCKXNYWRACU-MRXNPFEDSA-N 0 3 277.364 2.476 20 10 CECDHN C[N@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1[O-] ZINC000851840359 643185520 /nfs/dbraw/zinc/18/55/20/643185520.db2.gz DMVVSDQWSJSNPH-GFCCVEGCSA-N 0 3 257.280 2.248 20 10 CECDHN C[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccccc1[O-] ZINC000851840359 643185527 /nfs/dbraw/zinc/18/55/27/643185527.db2.gz DMVVSDQWSJSNPH-GFCCVEGCSA-N 0 3 257.280 2.248 20 10 CECDHN O=C1CC[N@H+](Cc2cc(F)ccc2[O-])CCCCCCN1 ZINC000877685924 650851353 /nfs/dbraw/zinc/85/13/53/650851353.db2.gz KVIPRIHJGKBKAM-UHFFFAOYSA-N 0 3 294.370 2.414 20 10 CECDHN O=C1CC[N@@H+](Cc2cc(F)ccc2[O-])CCCCCCN1 ZINC000877685924 650851356 /nfs/dbraw/zinc/85/13/56/650851356.db2.gz KVIPRIHJGKBKAM-UHFFFAOYSA-N 0 3 294.370 2.414 20 10 CECDHN CCOC(=O)[C@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC000877696695 650855935 /nfs/dbraw/zinc/85/59/35/650855935.db2.gz WHCHWSXWGVLNPM-GFCCVEGCSA-N 0 3 299.317 2.413 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CC1(C)C ZINC000853628028 643837350 /nfs/dbraw/zinc/83/73/50/643837350.db2.gz LTVMIQXMYVUHIE-BXUZGUMPSA-N 0 3 277.364 2.296 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@H]1CC1(C)C ZINC000853628028 643837353 /nfs/dbraw/zinc/83/73/53/643837353.db2.gz LTVMIQXMYVUHIE-BXUZGUMPSA-N 0 3 277.364 2.296 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@@H]1SC ZINC000839067026 644137619 /nfs/dbraw/zinc/13/76/19/644137619.db2.gz MCBVBZSOTKXPNL-CFVMTHIKSA-N 0 3 297.420 2.399 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1SC ZINC000839067024 644137968 /nfs/dbraw/zinc/13/79/68/644137968.db2.gz MCBVBZSOTKXPNL-BPLDGKMQSA-N 0 3 297.420 2.399 20 10 CECDHN C[C@@H](NCc1cc2c(cn1)OCCO2)c1ccccc1O ZINC000877755421 650899036 /nfs/dbraw/zinc/89/90/36/650899036.db2.gz AQMYGQUXRCPCIQ-LLVKDONJSA-N 0 3 286.331 2.409 20 10 CECDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000877755881 650899103 /nfs/dbraw/zinc/89/91/03/650899103.db2.gz QFRCSNIFYXWNIC-WBMJQRKESA-N 0 3 279.380 2.484 20 10 CECDHN CC(C)CC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000877774875 650905621 /nfs/dbraw/zinc/90/56/21/650905621.db2.gz PGVAYSSKTVDOFB-UHFFFAOYSA-N 0 3 290.407 2.473 20 10 CECDHN CC(C)CC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000877774875 650905623 /nfs/dbraw/zinc/90/56/23/650905623.db2.gz PGVAYSSKTVDOFB-UHFFFAOYSA-N 0 3 290.407 2.473 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC2CC2)c([O-])c1 ZINC000756509355 644656890 /nfs/dbraw/zinc/65/68/90/644656890.db2.gz AWSMBKFZKCYSCE-GXTWGEPZSA-N 0 3 279.380 2.139 20 10 CECDHN COCCN(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756528725 644658811 /nfs/dbraw/zinc/65/88/11/644658811.db2.gz OZNJGXDDDMKMQN-WCQYABFASA-N 0 3 296.386 2.247 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756577223 644670152 /nfs/dbraw/zinc/67/01/52/644670152.db2.gz QWVCETGBTNQRQR-BPYAMOTFSA-N 0 3 283.343 2.067 20 10 CECDHN CCc1nncn1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756620470 644674349 /nfs/dbraw/zinc/67/43/49/644674349.db2.gz KIASPUFCGJIFCH-JTQLQIEISA-N 0 3 278.331 2.036 20 10 CECDHN CCC[N@H+](Cc1cccc(F)c1[O-])C1CCNCC1 ZINC000843044024 644746667 /nfs/dbraw/zinc/74/66/67/644746667.db2.gz AAFQSBUTFNQETD-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CCC[N@@H+](Cc1cccc(F)c1[O-])C1CCNCC1 ZINC000843044024 644746672 /nfs/dbraw/zinc/74/66/72/644746672.db2.gz AAFQSBUTFNQETD-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CC[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000760537057 645169177 /nfs/dbraw/zinc/16/91/77/645169177.db2.gz AKNKKFYIOHJJHM-HNNXBMFYSA-N 0 3 277.364 2.440 20 10 CECDHN CC[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000760537057 645169178 /nfs/dbraw/zinc/16/91/78/645169178.db2.gz AKNKKFYIOHJJHM-HNNXBMFYSA-N 0 3 277.364 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000761225591 645259307 /nfs/dbraw/zinc/25/93/07/645259307.db2.gz JSXPNWAPXSAEGQ-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCOCC2(CCC2)C1 ZINC000761225591 645259311 /nfs/dbraw/zinc/25/93/11/645259311.db2.gz JSXPNWAPXSAEGQ-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CO[C@]1(C[NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000763570477 645558227 /nfs/dbraw/zinc/55/82/27/645558227.db2.gz FEFZJCSOYIJWJQ-SIVJFFJCSA-N 0 3 295.354 2.475 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCOCC1CCC1 ZINC000765680590 645797401 /nfs/dbraw/zinc/79/74/01/645797401.db2.gz UNVVSIXSVKYEDE-UHFFFAOYSA-N 0 3 253.317 2.438 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000766437535 645886620 /nfs/dbraw/zinc/88/66/20/645886620.db2.gz PAZXPFKBNLCGHK-XJKSGUPXSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2(CCO)CCOCC2)c1[O-] ZINC000775757016 646988627 /nfs/dbraw/zinc/98/86/27/646988627.db2.gz DTTWEDQDUGPDGH-UHFFFAOYSA-N 0 3 299.798 2.375 20 10 CECDHN C[C@@H]1[C@@H](C)[N@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983267 647013483 /nfs/dbraw/zinc/01/34/83/647013483.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1[C@@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983267 647013489 /nfs/dbraw/zinc/01/34/89/647013489.db2.gz BZEZUVMFZCQNKK-GHMZBOCLSA-N 0 3 252.333 2.056 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874475 647516066 /nfs/dbraw/zinc/51/60/66/647516066.db2.gz DSNFLKIDWYJKOT-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN CC(=O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121047040 647781826 /nfs/dbraw/zinc/78/18/26/647781826.db2.gz VANYEHGPQZVPBB-HNNXBMFYSA-N 0 3 277.364 2.352 20 10 CECDHN CC(=O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121047040 647781832 /nfs/dbraw/zinc/78/18/32/647781832.db2.gz VANYEHGPQZVPBB-HNNXBMFYSA-N 0 3 277.364 2.352 20 10 CECDHN C[C@H]([NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23)c1ccccc1[O-] ZINC000866446162 647790216 /nfs/dbraw/zinc/79/02/16/647790216.db2.gz UBVBFUWIYLYNTG-VMIOKAOGSA-N 0 3 259.349 2.466 20 10 CECDHN C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000866462969 647795414 /nfs/dbraw/zinc/79/54/14/647795414.db2.gz FIXIJRHEODPGAY-HFJPGXAFSA-N 0 3 281.249 2.494 20 10 CECDHN CC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccccc1[O-] ZINC000866495466 647805648 /nfs/dbraw/zinc/80/56/48/647805648.db2.gz CYQGCBULJSYLFH-CQSZACIVSA-N 0 3 284.363 2.112 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C(=O)NC)C(C)C)cc1 ZINC000785582453 647938488 /nfs/dbraw/zinc/93/84/88/647938488.db2.gz BTYUIYVFOZFRQS-INIZCTEOSA-N 0 3 291.439 2.393 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c([O-])c1 ZINC000788533858 648200250 /nfs/dbraw/zinc/20/02/50/648200250.db2.gz DDLIKVBBGZAOIA-GDBMZVCRSA-N 0 3 295.379 2.075 20 10 CECDHN CCn1cccc(C[NH2+][C@@H](C)c2ccccc2[O-])c1=O ZINC000788605825 648207434 /nfs/dbraw/zinc/20/74/34/648207434.db2.gz QJVWSOFIQVJIAI-LBPRGKRZSA-N 0 3 272.348 2.425 20 10 CECDHN C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000792724734 648669632 /nfs/dbraw/zinc/66/96/32/648669632.db2.gz DCTGVPFECBYCFP-IINYFYTJSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000792724734 648669633 /nfs/dbraw/zinc/66/96/33/648669633.db2.gz DCTGVPFECBYCFP-IINYFYTJSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)c1ccccc1[O-] ZINC000879649661 651335424 /nfs/dbraw/zinc/33/54/24/651335424.db2.gz BIDHWXKDJJIONL-DDHJSBNISA-N 0 3 288.391 2.490 20 10 CECDHN CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651760 651335976 /nfs/dbraw/zinc/33/59/76/651335976.db2.gz JURGEQLKMRCNIW-WOPDTQHZSA-N 0 3 264.369 2.346 20 10 CECDHN C[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131144589 652386392 /nfs/dbraw/zinc/38/63/92/652386392.db2.gz MCAAHHGIKMRZHN-RYUDHWBXSA-N 0 3 298.814 2.208 20 10 CECDHN CC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059182 802550993 /nfs/dbraw/zinc/55/09/93/802550993.db2.gz XNNQLRPFPDLCMN-LLVKDONJSA-N 0 3 251.301 2.332 20 10 CECDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059182 802550997 /nfs/dbraw/zinc/55/09/97/802550997.db2.gz XNNQLRPFPDLCMN-LLVKDONJSA-N 0 3 251.301 2.332 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032000 803668830 /nfs/dbraw/zinc/66/88/30/803668830.db2.gz PUMMTBJSHACRII-BDJLRTHQSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032000 803668832 /nfs/dbraw/zinc/66/88/32/803668832.db2.gz PUMMTBJSHACRII-BDJLRTHQSA-N 0 3 295.379 2.002 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021331 815268776 /nfs/dbraw/zinc/26/87/76/815268776.db2.gz DCBZMUPJRKOTKY-HNNXBMFYSA-N 0 3 288.391 2.368 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172021331 815268781 /nfs/dbraw/zinc/26/87/81/815268781.db2.gz DCBZMUPJRKOTKY-HNNXBMFYSA-N 0 3 288.391 2.368 20 10 CECDHN CCN1CC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678820 809933083 /nfs/dbraw/zinc/93/30/83/809933083.db2.gz BOVLLJOATXZOBR-IUODEOHRSA-N 0 3 275.396 2.024 20 10 CECDHN C[C@H](CNCc1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000708557817 809945377 /nfs/dbraw/zinc/94/53/77/809945377.db2.gz BOVDMHMLCFEITG-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC001169349787 811485759 /nfs/dbraw/zinc/48/57/59/811485759.db2.gz QSHUHPGLZRGEAM-LALPHHSUSA-N 0 3 293.363 2.154 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC001169432502 811520993 /nfs/dbraw/zinc/52/09/93/811520993.db2.gz MFNKCSZWEIIBSH-GFCCVEGCSA-N 0 3 264.369 2.129 20 10 CECDHN CC[C@@H]1C[C@H]([NH2+]Cc2cccc(O)c2[O-])CCO1 ZINC001170180838 812327181 /nfs/dbraw/zinc/32/71/81/812327181.db2.gz CLGSLLDRQPMOGT-VXGBXAGGSA-N 0 3 251.326 2.145 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170560852 812674520 /nfs/dbraw/zinc/67/45/20/812674520.db2.gz MTMFULIJTSKSNR-OLZOCXBDSA-N 0 3 275.348 2.092 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170560852 812674522 /nfs/dbraw/zinc/67/45/22/812674522.db2.gz MTMFULIJTSKSNR-OLZOCXBDSA-N 0 3 275.348 2.092 20 10 CECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000388733971 813242876 /nfs/dbraw/zinc/24/28/76/813242876.db2.gz CGYHEYBMXXXAJW-WDEREUQCSA-N 0 3 253.317 2.436 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)c([O-])c1 ZINC000694811062 814637015 /nfs/dbraw/zinc/63/70/15/814637015.db2.gz XVZHORCNWUXILT-PTEHBNRSSA-N 0 3 265.353 2.446 20 10 CECDHN COc1ccc(C[NH2+][C@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000713480344 814858646 /nfs/dbraw/zinc/85/86/46/814858646.db2.gz HRFXCZQJGRTXCJ-GJZGRUSLSA-N 0 3 277.364 2.448 20 10 CECDHN CC(C)CNC(=O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC001116569038 814865944 /nfs/dbraw/zinc/86/59/44/814865944.db2.gz YZVDGZXHPRECKY-JQWIXIFHSA-N 0 3 294.370 2.441 20 10 CECDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@H]2C)c([O-])c1 ZINC001249173000 815713116 /nfs/dbraw/zinc/71/31/16/815713116.db2.gz PKBYEPRXWDKYIO-GFCCVEGCSA-N 0 3 277.364 2.482 20 10 CECDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@H]2C)c([O-])c1 ZINC001249173000 815713117 /nfs/dbraw/zinc/71/31/17/815713117.db2.gz PKBYEPRXWDKYIO-GFCCVEGCSA-N 0 3 277.364 2.482 20 10 CECDHN Cc1c(CN2CC(C)(CO)C2)c2ccccc2n1C ZINC001138252610 815754732 /nfs/dbraw/zinc/75/47/32/815754732.db2.gz NMBWDLPJKDCOCG-UHFFFAOYSA-N 0 3 258.365 2.301 20 10 CECDHN CN1C(=O)CCC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC001140059902 816180991 /nfs/dbraw/zinc/18/09/91/816180991.db2.gz AISAJQPEJMBOAH-UHFFFAOYSA-N 0 3 292.354 2.118 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001140059945 816181681 /nfs/dbraw/zinc/18/16/81/816181681.db2.gz BTXRYEDWNFZRCG-ZDUSSCGKSA-N 0 3 281.327 2.259 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001140059945 816181684 /nfs/dbraw/zinc/18/16/84/816181684.db2.gz BTXRYEDWNFZRCG-ZDUSSCGKSA-N 0 3 281.327 2.259 20 10 CECDHN Cc1ccc(C)c(CN2C[C@@H](F)C[C@H](CO)C2)c1O ZINC001140178548 816204216 /nfs/dbraw/zinc/20/42/16/816204216.db2.gz OALMPUGQIAVFSH-STQMWFEESA-N 0 3 267.344 2.161 20 10 CECDHN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CN3C)c(Cl)c1 ZINC001140925549 816412083 /nfs/dbraw/zinc/41/20/83/816412083.db2.gz CWMLMNBEWBBTAF-KBPBESRZSA-N 0 3 279.815 2.294 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954074 816423877 /nfs/dbraw/zinc/42/38/77/816423877.db2.gz KQCUYPDIZXMPHZ-ZFWWWQNUSA-N 0 3 288.391 2.143 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954074 816423881 /nfs/dbraw/zinc/42/38/81/816423881.db2.gz KQCUYPDIZXMPHZ-ZFWWWQNUSA-N 0 3 288.391 2.143 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026520 816448642 /nfs/dbraw/zinc/44/86/42/816448642.db2.gz UDDUNDFHLJYSPJ-INIZCTEOSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c(OC)c1 ZINC001141026520 816448649 /nfs/dbraw/zinc/44/86/49/816448649.db2.gz UDDUNDFHLJYSPJ-INIZCTEOSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCC3(COC3)C2)c(OC)c1 ZINC001141026057 816449158 /nfs/dbraw/zinc/44/91/58/816449158.db2.gz ASKGFGGUCXAYQP-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCC3(COC3)C2)c(OC)c1 ZINC001141026057 816449159 /nfs/dbraw/zinc/44/91/59/816449159.db2.gz ASKGFGGUCXAYQP-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738140 361925915 /nfs/dbraw/zinc/92/59/15/361925915.db2.gz FYEHUCFLVKLYDN-MNOVXSKESA-N 0 3 251.326 2.088 20 10 CECDHN CN(C)CCC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000076275395 363532862 /nfs/dbraw/zinc/53/28/62/363532862.db2.gz YPLXOCVWCFKMGT-UHFFFAOYSA-N 0 3 287.201 2.196 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCCSC2)c1[O-] ZINC000135702274 366468789 /nfs/dbraw/zinc/46/87/89/366468789.db2.gz OUVHIRJLMSLIPM-NSHDSACASA-N 0 3 253.367 2.386 20 10 CECDHN CN(C)C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237029921 370680608 /nfs/dbraw/zinc/68/06/08/370680608.db2.gz ONTVNABODVQLNC-KRWDZBQOSA-N 0 3 297.402 2.230 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000093820260 364233661 /nfs/dbraw/zinc/23/36/61/364233661.db2.gz ICUCMPZTLRZMMC-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000093820260 364233664 /nfs/dbraw/zinc/23/36/64/364233664.db2.gz ICUCMPZTLRZMMC-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C)C[S@](C)=O)cc1 ZINC000168215785 367350187 /nfs/dbraw/zinc/35/01/87/367350187.db2.gz GLUYKHMCAPUWFL-BFUOFWGJSA-N 0 3 282.453 2.389 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168776273 367360055 /nfs/dbraw/zinc/36/00/55/367360055.db2.gz FEDJCSLPJXCRMA-YGRLFVJLSA-N 0 3 253.342 2.068 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCOC1 ZINC000180086437 368366208 /nfs/dbraw/zinc/36/62/08/368366208.db2.gz SPFVNORDZJFQTF-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCOC1 ZINC000180086437 368366212 /nfs/dbraw/zinc/36/62/12/368366212.db2.gz SPFVNORDZJFQTF-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000190304460 369611525 /nfs/dbraw/zinc/61/15/25/369611525.db2.gz MDAQKAMPHHCNAZ-BXUZGUMPSA-N 0 3 265.353 2.042 20 10 CECDHN CCOCCOCCN(C)Cc1ccc(N(C)C)cc1 ZINC000191568325 369723321 /nfs/dbraw/zinc/72/33/21/369723321.db2.gz LBWYUPRKSHGMLC-UHFFFAOYSA-N 0 3 280.412 2.238 20 10 CECDHN C[C@@H](CCNC(=O)c1cccc(O)c1[O-])[NH+]1CCCCC1 ZINC000193161583 369900387 /nfs/dbraw/zinc/90/03/87/369900387.db2.gz TYPWODWUFYWFIS-LBPRGKRZSA-N 0 3 292.379 2.092 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249874333 371368857 /nfs/dbraw/zinc/36/88/57/371368857.db2.gz GRBRRFOVURUJBQ-GZBFAFLISA-N 0 3 263.337 2.058 20 10 CECDHN CC[C@H](C(=O)NCc1ccccc1O)N(CC)CC ZINC000269157868 372361245 /nfs/dbraw/zinc/36/12/45/372361245.db2.gz SSTQFDNNYSMMHV-CYBMUJFWSA-N 0 3 264.369 2.129 20 10 CECDHN CC[C@@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(C)C ZINC000271093302 373115043 /nfs/dbraw/zinc/11/50/43/373115043.db2.gz VAFIVISGSUQGBH-INIZCTEOSA-N 0 3 291.439 2.441 20 10 CECDHN Cc1ccc(O)c(CN2CCN(C3CCC3)CC2)c1 ZINC000271163539 373153304 /nfs/dbraw/zinc/15/33/04/373153304.db2.gz GNOQJSNXRNDICR-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CCO[C@H](C)C2)c1[O-] ZINC000271259446 373185242 /nfs/dbraw/zinc/18/52/42/373185242.db2.gz AJXZIYVRVQDTRB-NEPJUHHUSA-N 0 3 265.353 2.306 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000271794256 373201702 /nfs/dbraw/zinc/20/17/02/373201702.db2.gz HQRSXLQFHNRNSX-CMPLNLGQSA-N 0 3 281.352 2.067 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000272632785 373591812 /nfs/dbraw/zinc/59/18/12/373591812.db2.gz NILHDQHRPQYXIJ-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000272632785 373591817 /nfs/dbraw/zinc/59/18/17/373591817.db2.gz NILHDQHRPQYXIJ-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1[O-] ZINC000272888033 373694116 /nfs/dbraw/zinc/69/41/16/373694116.db2.gz SCJFVQAYBGWELS-NSHDSACASA-N 0 3 262.353 2.089 20 10 CECDHN COC(=O)N1CC(N[C@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273451668 373757858 /nfs/dbraw/zinc/75/78/58/373757858.db2.gz GCNBCKBQUMPLDN-LLVKDONJSA-N 0 3 278.352 2.110 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)OC)c1 ZINC000273568721 373765503 /nfs/dbraw/zinc/76/55/03/373765503.db2.gz KEWCEYQTUXEMRH-GHMZBOCLSA-N 0 3 253.342 2.476 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1C ZINC000273622775 373768831 /nfs/dbraw/zinc/76/88/31/373768831.db2.gz ZPHCFNWUSCOPDM-CHWSQXEVSA-N 0 3 276.380 2.280 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590893 374164145 /nfs/dbraw/zinc/16/41/45/374164145.db2.gz GTCOYTZCWNGZMW-RYUDHWBXSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590893 374164150 /nfs/dbraw/zinc/16/41/50/374164150.db2.gz GTCOYTZCWNGZMW-RYUDHWBXSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc(O)c([C@H](C)N2CC[C@H](n3cncn3)C2)c1 ZINC000372590893 374164163 /nfs/dbraw/zinc/16/41/63/374164163.db2.gz GTCOYTZCWNGZMW-RYUDHWBXSA-N 0 3 288.351 2.000 20 10 CECDHN CC[C@@H](N[C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821478 375586047 /nfs/dbraw/zinc/58/60/47/375586047.db2.gz RTXAMUAZWACFSH-SWLSCSKDSA-N 0 3 295.402 2.268 20 10 CECDHN CCOc1cccc(CNCc2cc(C)nn2C)c1O ZINC000283985564 375792073 /nfs/dbraw/zinc/79/20/73/375792073.db2.gz OMVAQDHDZHPKQP-UHFFFAOYSA-N 0 3 275.352 2.123 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288507097 376378360 /nfs/dbraw/zinc/37/83/60/376378360.db2.gz ILPRUTUVFDXGPK-YOEHRIQHSA-N 0 3 285.343 2.285 20 10 CECDHN C[C@H](CO)[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1CCC1 ZINC000289345034 376393448 /nfs/dbraw/zinc/39/34/48/376393448.db2.gz IJTYYIOYBMLHRJ-LLVKDONJSA-N 0 3 293.363 2.104 20 10 CECDHN C[C@H](CO)[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1CCC1 ZINC000289345034 376393455 /nfs/dbraw/zinc/39/34/55/376393455.db2.gz IJTYYIOYBMLHRJ-LLVKDONJSA-N 0 3 293.363 2.104 20 10 CECDHN CC[C@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1[O-] ZINC000293766526 377746982 /nfs/dbraw/zinc/74/69/82/377746982.db2.gz RSGLUZGWUJSXIC-AWEZNQCLSA-N 0 3 274.368 2.194 20 10 CECDHN CCC[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000293823466 377775208 /nfs/dbraw/zinc/77/52/08/377775208.db2.gz ZXURKSJSDYYDIN-CYBMUJFWSA-N 0 3 253.342 2.306 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)F ZINC000294993168 378034461 /nfs/dbraw/zinc/03/44/61/378034461.db2.gz HULLJVVLQXNGGL-MWLCHTKSSA-N 0 3 263.259 2.026 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295185396 378047861 /nfs/dbraw/zinc/04/78/61/378047861.db2.gz WNSMGBIZHQOXMW-OAHLLOKOSA-N 0 3 293.313 2.364 20 10 CECDHN C[C@H]([C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000297766280 378689525 /nfs/dbraw/zinc/68/95/25/378689525.db2.gz OZZGNGZRFFHAOB-GZBFAFLISA-N 0 3 290.407 2.078 20 10 CECDHN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297820716 378690198 /nfs/dbraw/zinc/69/01/98/378690198.db2.gz RJVSAKZQPUDJRQ-BYCMXARLSA-N 0 3 272.392 2.452 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000228671645 394476472 /nfs/dbraw/zinc/47/64/72/394476472.db2.gz ZBPHDVWKHHCTBW-UHFFFAOYSA-N 0 3 295.770 2.120 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092734325 394662167 /nfs/dbraw/zinc/66/21/67/394662167.db2.gz DHPSPWJHKQEEEW-AWEZNQCLSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092734325 394662170 /nfs/dbraw/zinc/66/21/70/394662170.db2.gz DHPSPWJHKQEEEW-AWEZNQCLSA-N 0 3 290.407 2.439 20 10 CECDHN CN(C)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1 ZINC000270455239 394734878 /nfs/dbraw/zinc/73/48/78/394734878.db2.gz DKVXJYKRLZUUID-LBPRGKRZSA-N 0 3 276.302 2.156 20 10 CECDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H](O)C(F)(F)F ZINC000271767600 394764690 /nfs/dbraw/zinc/76/46/90/394764690.db2.gz ATHKFBSDFUCPKD-ZYHUDNBSSA-N 0 3 277.286 2.492 20 10 CECDHN CCOc1cccc(C[N@H+](C)[C@@H](C)COC)c1[O-] ZINC000132682368 394935700 /nfs/dbraw/zinc/93/57/00/394935700.db2.gz VCHJIMQHXYGXRV-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)COC)c1[O-] ZINC000132682368 394935704 /nfs/dbraw/zinc/93/57/04/394935704.db2.gz VCHJIMQHXYGXRV-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951694 395050539 /nfs/dbraw/zinc/05/05/39/395050539.db2.gz JXDOCOGCWSJSHU-PBHICJAKSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951694 395050542 /nfs/dbraw/zinc/05/05/42/395050542.db2.gz JXDOCOGCWSJSHU-PBHICJAKSA-N 0 3 289.375 2.476 20 10 CECDHN CCCOc1ccc(C[N@H+](CC)[C@@H](C)CO)c([O-])c1 ZINC000293715763 395249606 /nfs/dbraw/zinc/24/96/06/395249606.db2.gz SUCWVVFRKDKOJU-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](CC)[C@@H](C)CO)c([O-])c1 ZINC000293715763 395249609 /nfs/dbraw/zinc/24/96/09/395249609.db2.gz SUCWVVFRKDKOJU-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000179563988 395195577 /nfs/dbraw/zinc/19/55/77/395195577.db2.gz XSPKSWYNHHKRRY-HNNXBMFYSA-N 0 3 260.381 2.452 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CN1CCCC1 ZINC000179563988 395195581 /nfs/dbraw/zinc/19/55/81/395195581.db2.gz XSPKSWYNHHKRRY-HNNXBMFYSA-N 0 3 260.381 2.452 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183415133 395255847 /nfs/dbraw/zinc/25/58/47/395255847.db2.gz ZHNXJGFVBUQDBM-ZDUSSCGKSA-N 0 3 266.385 2.011 20 10 CECDHN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000293951513 395258536 /nfs/dbraw/zinc/25/85/36/395258536.db2.gz IUQOZPNDBNFQRZ-IINYFYTJSA-N 0 3 253.317 2.172 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183523614 395259216 /nfs/dbraw/zinc/25/92/16/395259216.db2.gz UPOCURAGKFBPOV-GBIKHYSHSA-N 0 3 255.383 2.155 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000193496167 395409870 /nfs/dbraw/zinc/40/98/70/395409870.db2.gz NXHKKHHLLZPUSZ-WCQYABFASA-N 0 3 263.337 2.132 20 10 CECDHN CCN(CC)c1ccc(CNCCCS(C)(=O)=O)cc1 ZINC000038047423 174057880 /nfs/dbraw/zinc/05/78/80/174057880.db2.gz MYGKQXKZQHDQSZ-UHFFFAOYSA-N 0 3 298.452 2.057 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)C2CCOCC2)c1 ZINC000089725901 260238363 /nfs/dbraw/zinc/23/83/63/260238363.db2.gz FDHOVMJGGUQABM-LLVKDONJSA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@H]([NH2+]CCN1CCSCC1)c1ccccc1[O-] ZINC000223816439 260371726 /nfs/dbraw/zinc/37/17/26/260371726.db2.gz QOHKJHVEZXWPDD-AWEZNQCLSA-N 0 3 280.437 2.482 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+](CCO)C1CCCCC1)OCO2 ZINC000155126024 261098091 /nfs/dbraw/zinc/09/80/91/261098091.db2.gz ASTMDIQEBPBKQV-UHFFFAOYSA-N 0 3 293.363 2.248 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+](CCO)C1CCCCC1)OCO2 ZINC000155126024 261098093 /nfs/dbraw/zinc/09/80/93/261098093.db2.gz ASTMDIQEBPBKQV-UHFFFAOYSA-N 0 3 293.363 2.248 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155740165 261106897 /nfs/dbraw/zinc/10/68/97/261106897.db2.gz JECCOCMWKMKBRY-GDBMZVCRSA-N 0 3 291.439 2.069 20 10 CECDHN CCCNC(=O)CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000158299904 261163501 /nfs/dbraw/zinc/16/35/01/261163501.db2.gz MCGZBEPQZYFFTC-ZDUSSCGKSA-N 0 3 277.412 2.320 20 10 CECDHN CCOc1cccc(CN2CCC(C(=O)OC)CC2)c1O ZINC000159200610 261180699 /nfs/dbraw/zinc/18/06/99/261180699.db2.gz RJTNHWMHHYLNBY-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179867808 261821430 /nfs/dbraw/zinc/82/14/30/261821430.db2.gz PZWQWZNLTQPFSX-UHFFFAOYSA-N 0 3 281.327 2.306 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c([O-])c1 ZINC000185639130 262063706 /nfs/dbraw/zinc/06/37/06/262063706.db2.gz WKHGAAJWXDBJEL-FZMZJTMJSA-N 0 3 267.394 2.219 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000186090091 262079399 /nfs/dbraw/zinc/07/93/99/262079399.db2.gz UNIGSVFHUOHLCT-LBPRGKRZSA-N 0 3 297.420 2.176 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186203067 262084436 /nfs/dbraw/zinc/08/44/36/262084436.db2.gz YKBYBKNKYOZDON-WFASDCNBSA-N 0 3 293.407 2.319 20 10 CECDHN COc1ccc(O)c([C@@H](C)N2CCCOCC2)c1 ZINC000365003462 262267431 /nfs/dbraw/zinc/26/74/31/262267431.db2.gz ZGGMCCIGTCUIFQ-LLVKDONJSA-N 0 3 251.326 2.184 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186798212 262324525 /nfs/dbraw/zinc/32/45/25/262324525.db2.gz LDEBEVOUTOHZAM-PSOPSSQASA-N 0 3 265.353 2.355 20 10 CECDHN CC(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283855486 280345887 /nfs/dbraw/zinc/34/58/87/280345887.db2.gz HRHDFIYDGBFTBM-DOTOQJQBSA-N 0 3 293.407 2.390 20 10 CECDHN CC(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283855486 280345889 /nfs/dbraw/zinc/34/58/89/280345889.db2.gz HRHDFIYDGBFTBM-DOTOQJQBSA-N 0 3 293.407 2.390 20 10 CECDHN COc1cccc(C[N@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000289347217 295295107 /nfs/dbraw/zinc/29/51/07/295295107.db2.gz IPOMDWJPEOVSLL-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1[O-] ZINC000289347217 295295108 /nfs/dbraw/zinc/29/51/08/295295108.db2.gz IPOMDWJPEOVSLL-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000527955032 313220436 /nfs/dbraw/zinc/22/04/36/313220436.db2.gz LRMWPKTXJOIWAA-MWQHPAIMSA-N 0 3 295.354 2.209 20 10 CECDHN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000185705576 327842858 /nfs/dbraw/zinc/84/28/58/327842858.db2.gz QWDDTBJWKLMDEW-WCQYABFASA-N 0 3 283.343 2.378 20 10 CECDHN COc1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000283800103 328244939 /nfs/dbraw/zinc/24/49/39/328244939.db2.gz AKDUUOJIWYCJEK-GDBMZVCRSA-N 0 3 295.423 2.251 20 10 CECDHN C[S@](=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296240945 327091215 /nfs/dbraw/zinc/09/12/15/327091215.db2.gz AUUXTQBWMRWVEP-BLVKFPJESA-N 0 3 279.405 2.270 20 10 CECDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093755432 327199916 /nfs/dbraw/zinc/19/99/16/327199916.db2.gz HZZINMXYKMZDNB-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093755432 327199917 /nfs/dbraw/zinc/19/99/17/327199917.db2.gz HZZINMXYKMZDNB-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378127892 329040857 /nfs/dbraw/zinc/04/08/57/329040857.db2.gz IHCCMTQKIAOOAX-INIZCTEOSA-N 0 3 279.380 2.241 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1[O-] ZINC000378127892 329040858 /nfs/dbraw/zinc/04/08/58/329040858.db2.gz IHCCMTQKIAOOAX-INIZCTEOSA-N 0 3 279.380 2.241 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000179580768 329209895 /nfs/dbraw/zinc/20/98/95/329209895.db2.gz WEGFSSRBKANTDO-OAHLLOKOSA-N 0 3 270.332 2.441 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000179580768 329209896 /nfs/dbraw/zinc/20/98/96/329209896.db2.gz WEGFSSRBKANTDO-OAHLLOKOSA-N 0 3 270.332 2.441 20 10 CECDHN C[C@@H](NC[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613553 333197671 /nfs/dbraw/zinc/19/76/71/333197671.db2.gz AKIYLWGJSRBNJG-SKDRFNHKSA-N 0 3 276.302 2.326 20 10 CECDHN C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000251573010 334364411 /nfs/dbraw/zinc/36/44/11/334364411.db2.gz CBSUAOHFZPUPPT-HIFRSBDPSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000251573010 334364412 /nfs/dbraw/zinc/36/44/12/334364412.db2.gz CBSUAOHFZPUPPT-HIFRSBDPSA-N 0 3 260.381 2.451 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H](O)C(C)(C)C2)cc1F ZINC000276020153 522179360 /nfs/dbraw/zinc/17/93/60/522179360.db2.gz QSSSCCFIQYVTFG-HNNXBMFYSA-N 0 3 280.387 2.485 20 10 CECDHN CCOc1ccc(N(CC)C[C@@H](O)CN(C)C2CC2)cc1 ZINC000289402690 521024977 /nfs/dbraw/zinc/02/49/77/521024977.db2.gz SUAFLRLJSGTPJY-INIZCTEOSA-N 0 3 292.423 2.367 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCCn2ccnc2C)c1 ZINC000263733659 521151852 /nfs/dbraw/zinc/15/18/52/521151852.db2.gz YNMWQVRYHVXHKT-UHFFFAOYSA-N 0 3 289.379 2.476 20 10 CECDHN CC[C@H](C[NH2+][C@@H](C)c1cc(OC)ccc1[O-])OC ZINC000290036190 522197505 /nfs/dbraw/zinc/19/75/05/522197505.db2.gz DFJISMDBSDWOHG-WDEREUQCSA-N 0 3 253.342 2.476 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280032659 522733803 /nfs/dbraw/zinc/73/38/03/522733803.db2.gz IHKLIWWUVRIUKA-ZBFHGGJFSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000279949796 522750999 /nfs/dbraw/zinc/75/09/99/522750999.db2.gz BQHMZDCXHXRNLQ-JSGCOSHPSA-N 0 3 276.380 2.362 20 10 CECDHN COc1ccc(N(C)C[C@H](O)CN(C)C2CC2)cc1Cl ZINC000289426173 524353197 /nfs/dbraw/zinc/35/31/97/524353197.db2.gz XAGHQNMEFSYWFM-CYBMUJFWSA-N 0 3 298.814 2.240 20 10 CECDHN Cc1cccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280137711 524406176 /nfs/dbraw/zinc/40/61/76/524406176.db2.gz CTLVFXDTCDKNQV-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000367698782 524406443 /nfs/dbraw/zinc/40/64/43/524406443.db2.gz FYVWODZFXFPZIH-AWEZNQCLSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000367698782 524406447 /nfs/dbraw/zinc/40/64/47/524406447.db2.gz FYVWODZFXFPZIH-AWEZNQCLSA-N 0 3 271.364 2.424 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1 ZINC000290986792 524752090 /nfs/dbraw/zinc/75/20/90/524752090.db2.gz UQSJAAGHSHVJSR-HNNXBMFYSA-N 0 3 279.380 2.288 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000289439186 524868227 /nfs/dbraw/zinc/86/82/27/524868227.db2.gz LTABAQYHAOLIGI-LBPRGKRZSA-N 0 3 255.745 2.215 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)cc1C ZINC000276857008 525318717 /nfs/dbraw/zinc/31/87/17/525318717.db2.gz JVRUHWVIAIQQKP-HNNXBMFYSA-N 0 3 288.391 2.206 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](N3CCCC3=O)C2)cc1C ZINC000276857008 525318723 /nfs/dbraw/zinc/31/87/23/525318723.db2.gz JVRUHWVIAIQQKP-HNNXBMFYSA-N 0 3 288.391 2.206 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291365105 525345031 /nfs/dbraw/zinc/34/50/31/525345031.db2.gz YTNDXKRBFDHSMX-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291365105 525345036 /nfs/dbraw/zinc/34/50/36/525345036.db2.gz YTNDXKRBFDHSMX-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280417838 525347257 /nfs/dbraw/zinc/34/72/57/525347257.db2.gz IIWSJRGJRJBASK-AWEZNQCLSA-N 0 3 291.391 2.471 20 10 CECDHN C[C@H]([NH2+]CCc1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000128081290 525373530 /nfs/dbraw/zinc/37/35/30/525373530.db2.gz CDSVPEQGEFRAIB-JTQLQIEISA-N 0 3 263.316 2.158 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c([O-])c1 ZINC000228089848 525932506 /nfs/dbraw/zinc/93/25/06/525932506.db2.gz BONFXMPBQNHEOW-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN COc1cccc(CN2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290978639 525950563 /nfs/dbraw/zinc/95/05/63/525950563.db2.gz TWMFWNGOMQXXHS-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000290978639 525950569 /nfs/dbraw/zinc/95/05/69/525950569.db2.gz TWMFWNGOMQXXHS-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1[O-] ZINC000290978639 525950572 /nfs/dbraw/zinc/95/05/72/525950572.db2.gz TWMFWNGOMQXXHS-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc(CNCc2cnc(N(C)C)s2)c1O ZINC000289410591 526026532 /nfs/dbraw/zinc/02/65/32/526026532.db2.gz HSDVUBXRAOUONA-UHFFFAOYSA-N 0 3 293.392 2.213 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289685240 527621578 /nfs/dbraw/zinc/62/15/78/527621578.db2.gz OCCXOPSSMVIIRD-NEPJUHHUSA-N 0 3 289.297 2.385 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289685240 527621583 /nfs/dbraw/zinc/62/15/83/527621583.db2.gz OCCXOPSSMVIIRD-NEPJUHHUSA-N 0 3 289.297 2.385 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)C(C)(C)O)c([O-])c1 ZINC000734841573 574731863 /nfs/dbraw/zinc/73/18/63/574731863.db2.gz UFHZSOZJEREIDK-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCSC2)c([O-])c1 ZINC000742383070 575019182 /nfs/dbraw/zinc/01/91/82/575019182.db2.gz SMGLIQXAYMGZPB-LLVKDONJSA-N 0 3 253.367 2.386 20 10 CECDHN Cc1cc(NCCCSc2nccs2)nc(N)n1 ZINC000746461497 575156361 /nfs/dbraw/zinc/15/63/61/575156361.db2.gz ZAVMRANESWPSDW-UHFFFAOYSA-N 0 3 281.410 2.418 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)c([O-])c1 ZINC000746756653 575164008 /nfs/dbraw/zinc/16/40/08/575164008.db2.gz VPULBTSBUXGATC-STQMWFEESA-N 0 3 265.353 2.448 20 10 CECDHN C[C@H](NC(=O)c1cc([O-])cs1)C(C)(C)C[NH+](C)C ZINC000748328045 575183244 /nfs/dbraw/zinc/18/32/44/575183244.db2.gz XVMQAYYQHHSFPM-VIFPVBQESA-N 0 3 270.398 2.160 20 10 CECDHN C/C=C(\C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253188 623328856 /nfs/dbraw/zinc/32/88/56/623328856.db2.gz RKASMKXZTJJYEQ-ROCHPLJESA-N 0 3 289.423 2.438 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2(O)CCC2)c1[O-] ZINC000169087778 627693445 /nfs/dbraw/zinc/69/34/45/627693445.db2.gz MXAYHWAMTKXMST-UHFFFAOYSA-N 0 3 271.744 2.059 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CCN(C2CC2)CC1 ZINC000840909460 628373327 /nfs/dbraw/zinc/37/33/27/628373327.db2.gz CKOILTFOYQPUET-UHFFFAOYSA-N 0 3 273.424 2.341 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CNCCC1(F)F)c1ccc(F)cc1[O-] ZINC000925781697 628808409 /nfs/dbraw/zinc/80/84/09/628808409.db2.gz JLSKVYDHOKCDSR-ZJUUUORDSA-N 0 3 288.313 2.427 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnn(C)c2C2CC2)c([O-])c1 ZINC000894184722 629196816 /nfs/dbraw/zinc/19/68/16/629196816.db2.gz DWWYKKFWDIDHCB-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1COCCO1)c1ccc(C)cc1[O-] ZINC000794798811 629322902 /nfs/dbraw/zinc/32/29/02/629322902.db2.gz YTKPCXNXOGTBKN-JSGCOSHPSA-N 0 3 265.353 2.157 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)[C@@H](O)CO2 ZINC000902652182 634766625 /nfs/dbraw/zinc/76/66/25/634766625.db2.gz QIKCXIMGTCCERR-XEGUGMAKSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CCC[C@@H]31)[C@@H](O)CO2 ZINC000902652182 634766628 /nfs/dbraw/zinc/76/66/28/634766628.db2.gz QIKCXIMGTCCERR-XEGUGMAKSA-N 0 3 275.348 2.192 20 10 CECDHN CCN(Cc1cnc[nH]1)Cc1ccc(N(C)C)cc1 ZINC000796438693 629903633 /nfs/dbraw/zinc/90/36/33/629903633.db2.gz COZIAFFRBSQEKR-UHFFFAOYSA-N 0 3 258.369 2.498 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CC(C)=NO2)c([O-])c1 ZINC000895312180 630100634 /nfs/dbraw/zinc/10/06/34/630100634.db2.gz VVHQKSDBMPJRJN-CYBMUJFWSA-N 0 3 264.325 2.045 20 10 CECDHN COC(=O)[C@@H]1[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1(F)F ZINC000895460072 630201829 /nfs/dbraw/zinc/20/18/29/630201829.db2.gz ITSWAJXVJGFKED-XRNSZHNASA-N 0 3 285.290 2.097 20 10 CECDHN Cc1nc([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000896236876 630508194 /nfs/dbraw/zinc/50/81/94/630508194.db2.gz JQIOJJLSIMEMRS-JTQLQIEISA-N 0 3 277.299 2.212 20 10 CECDHN Cc1nc([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000896236876 630508197 /nfs/dbraw/zinc/50/81/97/630508197.db2.gz JQIOJJLSIMEMRS-JTQLQIEISA-N 0 3 277.299 2.212 20 10 CECDHN Cc1ccncc1N1CCN(Cc2ccccc2O)CC1 ZINC000798961676 630956444 /nfs/dbraw/zinc/95/64/44/630956444.db2.gz BKXABOHYRQPOGB-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)c([O-])c1 ZINC000897229353 631003614 /nfs/dbraw/zinc/00/36/14/631003614.db2.gz UIWPPGRHRJCDIK-MRXNPFEDSA-N 0 3 290.407 2.044 20 10 CECDHN COc1cc(C)cc(CNCc2cnn(CCF)c2)c1O ZINC000897729212 631904721 /nfs/dbraw/zinc/90/47/21/631904721.db2.gz UXUCOKFOOJNXHD-UHFFFAOYSA-N 0 3 293.342 2.165 20 10 CECDHN CCCOc1ccc(CN[C@@]2(C)CCNC2=O)cc1C ZINC000897867521 631951926 /nfs/dbraw/zinc/95/19/26/631951926.db2.gz VRXUCPZAEYGQOO-INIZCTEOSA-N 0 3 276.380 2.152 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000808422327 631960676 /nfs/dbraw/zinc/96/06/76/631960676.db2.gz IZANQGHVIKDFNK-AWEZNQCLSA-N 0 3 287.359 2.094 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709939 632004531 /nfs/dbraw/zinc/00/45/31/632004531.db2.gz JIMLKGZUGNTZQW-JQWIXIFHSA-N 0 3 287.787 2.402 20 10 CECDHN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809691954 632127826 /nfs/dbraw/zinc/12/78/26/632127826.db2.gz USBGSBHUGZHZGV-AWEZNQCLSA-N 0 3 292.379 2.493 20 10 CECDHN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809691954 632127831 /nfs/dbraw/zinc/12/78/31/632127831.db2.gz USBGSBHUGZHZGV-AWEZNQCLSA-N 0 3 292.379 2.493 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1cccnc1C ZINC000898256515 632150831 /nfs/dbraw/zinc/15/08/31/632150831.db2.gz CMJCUCLJVSFNGI-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN C[C@@H]([NH2+]CC1CC2(C1)OCCO2)c1cc(F)ccc1[O-] ZINC000927000805 632412122 /nfs/dbraw/zinc/41/21/22/632412122.db2.gz JWONKTXPVVPXKT-SNVBAGLBSA-N 0 3 281.327 2.335 20 10 CECDHN CN(C)c1ccc([C@@H](CNCc2ccon2)N(C)C)cc1 ZINC000898449572 632499113 /nfs/dbraw/zinc/49/91/13/632499113.db2.gz HSSLZTOLWOLXBJ-MRXNPFEDSA-N 0 3 288.395 2.133 20 10 CECDHN Cn1c2ccc(C[NH2+]Cc3ccccc3[O-])cc2oc1=O ZINC000816545215 633410444 /nfs/dbraw/zinc/41/04/44/633410444.db2.gz IHTWWNVVKWWHLR-UHFFFAOYSA-N 0 3 284.315 2.127 20 10 CECDHN CC[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817944638 633792036 /nfs/dbraw/zinc/79/20/36/633792036.db2.gz ITGPZNDRANZWLK-CMPLNLGQSA-N 0 3 254.761 2.448 20 10 CECDHN C[C@@H](NCCc1ccc(N)cc1)c1cc2n(n1)CCC2 ZINC000817956737 633799974 /nfs/dbraw/zinc/79/99/74/633799974.db2.gz BNRAOWLIBHFUPW-GFCCVEGCSA-N 0 3 270.380 2.305 20 10 CECDHN CC[C@@H](NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955639 633800171 /nfs/dbraw/zinc/80/01/71/633800171.db2.gz DIKCWLMDAPWCST-LLVKDONJSA-N 0 3 274.286 2.424 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000903299188 635046384 /nfs/dbraw/zinc/04/63/84/635046384.db2.gz HIGAPYSIQGGLOT-LEJCRSTHSA-N 0 3 295.354 2.473 20 10 CECDHN CC(=O)c1cc(F)cc(CN[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000903465155 635151610 /nfs/dbraw/zinc/15/16/10/635151610.db2.gz DXEURCOZZTXWTE-AWEZNQCLSA-N 0 3 292.354 2.108 20 10 CECDHN Cc1cc([O-])c(CN[C@@H]2C[NH2+]C[C@H]2C)c(Cl)c1 ZINC000903964528 635398852 /nfs/dbraw/zinc/39/88/52/635398852.db2.gz KPZVVYSUCUFBTK-BXKDBHETSA-N 0 3 254.761 2.052 20 10 CECDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824636261 635467036 /nfs/dbraw/zinc/46/70/36/635467036.db2.gz NNMIDFDFTSCGLF-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824636261 635467039 /nfs/dbraw/zinc/46/70/39/635467039.db2.gz NNMIDFDFTSCGLF-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000825040550 635546763 /nfs/dbraw/zinc/54/67/63/635546763.db2.gz NASDQEGXHLXABQ-OLZOCXBDSA-N 0 3 263.337 2.214 20 10 CECDHN FC1(F)CCNC[C@@H]1NCc1ccc2c(c1)CCCO2 ZINC000904354639 635586715 /nfs/dbraw/zinc/58/67/15/635586715.db2.gz IBNBLJSAYLQPQD-AWEZNQCLSA-N 0 3 282.334 2.098 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826901932 635876188 /nfs/dbraw/zinc/87/61/88/635876188.db2.gz DWBNOXZEHFPZCC-NILFDRSVSA-N 0 3 297.370 2.187 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512022 650296520 /nfs/dbraw/zinc/29/65/20/650296520.db2.gz DLUQOEKPETXAIK-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512022 650296525 /nfs/dbraw/zinc/29/65/25/650296525.db2.gz DLUQOEKPETXAIK-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN C[C@@H]1CCCN1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834607294 637889130 /nfs/dbraw/zinc/88/91/30/637889130.db2.gz SOAICJUTTUJCBC-TZMCWYRMSA-N 0 3 260.381 2.453 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC000876649796 650375809 /nfs/dbraw/zinc/37/58/09/650375809.db2.gz FWVIIGBTEFODEL-ZDUSSCGKSA-N 0 3 276.380 2.178 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c([O-])c1 ZINC000876649796 650375811 /nfs/dbraw/zinc/37/58/11/650375811.db2.gz FWVIIGBTEFODEL-ZDUSSCGKSA-N 0 3 276.380 2.178 20 10 CECDHN CC(C)C(=O)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834694179 637921279 /nfs/dbraw/zinc/92/12/79/637921279.db2.gz VAUNJFHRVDKTJD-ZDUSSCGKSA-N 0 3 276.380 2.131 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C)cc1[O-] ZINC000834892551 637980284 /nfs/dbraw/zinc/98/02/84/637980284.db2.gz WAILKCSOHDAEPZ-OCCSQVGLSA-N 0 3 276.380 2.362 20 10 CECDHN CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834901176 637981109 /nfs/dbraw/zinc/98/11/09/637981109.db2.gz QRZIYUUBQPGPIZ-WCABBAIRSA-N 0 3 280.343 2.194 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834902844 637982423 /nfs/dbraw/zinc/98/24/23/637982423.db2.gz DJXLJJXOXZSQDA-RFVSLCSESA-N 0 3 295.354 2.473 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000834911814 637986241 /nfs/dbraw/zinc/98/62/41/637986241.db2.gz BDONDGDUFBKQSI-ZKYQVNSYSA-N 0 3 292.354 2.335 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@H](CO)CC(F)F)cc1 ZINC000835047983 638038644 /nfs/dbraw/zinc/03/86/44/638038644.db2.gz DLNQMZWRWNQIEZ-OOPCZODUSA-N 0 3 284.350 2.372 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c([O-])c1 ZINC000835086399 638055766 /nfs/dbraw/zinc/05/57/66/638055766.db2.gz GZYPSBKLUHZFLQ-FZMZJTMJSA-N 0 3 265.353 2.448 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000876679060 650395572 /nfs/dbraw/zinc/39/55/72/650395572.db2.gz BDBMAIKSDPIDGI-CQSZACIVSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c([O-])c1 ZINC000876679060 650395576 /nfs/dbraw/zinc/39/55/76/650395576.db2.gz BDBMAIKSDPIDGI-CQSZACIVSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc(CN2CCOC3(CCOCC3)C2)c(O)c1 ZINC000876804264 650439702 /nfs/dbraw/zinc/43/97/02/650439702.db2.gz NBTAJVWTHXDEIZ-UHFFFAOYSA-N 0 3 277.364 2.082 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C)cc3O)[C@H]2C1 ZINC000876815458 650443700 /nfs/dbraw/zinc/44/37/00/650443700.db2.gz YELUBYHIFIKIDG-HLLBOEOZSA-N 0 3 291.391 2.469 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000226583574 639554325 /nfs/dbraw/zinc/55/43/25/639554325.db2.gz PCNIGEMNVSCZPH-ZDUSSCGKSA-N 0 3 289.306 2.461 20 10 CECDHN COc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000226584073 639554893 /nfs/dbraw/zinc/55/48/93/639554893.db2.gz DRXUTXVTHCDZCT-UHFFFAOYSA-N 0 3 262.284 2.225 20 10 CECDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000840941883 639595684 /nfs/dbraw/zinc/59/56/84/639595684.db2.gz PHRDEJIHAFHTIH-CYBMUJFWSA-N 0 3 277.412 2.017 20 10 CECDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)C)cc1C ZINC000840952530 639598992 /nfs/dbraw/zinc/59/89/92/639598992.db2.gz DDPFCNMFDRHTFF-UHFFFAOYSA-N 0 3 277.412 2.065 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840971650 639606051 /nfs/dbraw/zinc/60/60/51/639606051.db2.gz RKEXWQZGRYFBIN-CMPLNLGQSA-N 0 3 257.280 2.031 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000060358327 639611935 /nfs/dbraw/zinc/61/19/35/639611935.db2.gz IOBXNZYMZQFRMR-HNNXBMFYSA-N 0 3 261.296 2.355 20 10 CECDHN C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064877 639641137 /nfs/dbraw/zinc/64/11/37/639641137.db2.gz VMOPNNGJTDHWOV-PELKAZGASA-N 0 3 272.751 2.272 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)[C@H](C)N)c1 ZINC000841077072 639647204 /nfs/dbraw/zinc/64/72/04/639647204.db2.gz YDHXWYIZBWMPLZ-DTWKUNHWSA-N 0 3 287.201 2.288 20 10 CECDHN COC[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228669702 639651706 /nfs/dbraw/zinc/65/17/06/639651706.db2.gz WUAMIYRBQPJICL-QMMMGPOBSA-N 0 3 259.733 2.179 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000876990784 650522549 /nfs/dbraw/zinc/52/25/49/650522549.db2.gz CQPYLVHJWCBQMF-LBPRGKRZSA-N 0 3 288.313 2.427 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000877044974 650545223 /nfs/dbraw/zinc/54/52/23/650545223.db2.gz MXTJDRUKESKTIK-KGLIPLIRSA-N 0 3 290.407 2.437 20 10 CECDHN [O-]c1c(F)cccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843129002 640295519 /nfs/dbraw/zinc/29/55/19/640295519.db2.gz OEHMMUHQRXLMQQ-CYBMUJFWSA-N 0 3 264.344 2.296 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c([O-])c1 ZINC000877132821 650588174 /nfs/dbraw/zinc/58/81/74/650588174.db2.gz OKUNPWRRNWALRT-HOCLYGCPSA-N 0 3 277.364 2.128 20 10 CECDHN CCCN1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000915817194 640622648 /nfs/dbraw/zinc/62/26/48/640622648.db2.gz WHMGDPIZDYYTRF-UHFFFAOYSA-N 0 3 278.396 2.237 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313056 640673684 /nfs/dbraw/zinc/67/36/84/640673684.db2.gz QKKDUXIMILIBRR-PWSUYJOCSA-N 0 3 276.336 2.026 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000877256233 650644305 /nfs/dbraw/zinc/64/43/05/650644305.db2.gz PYLOIQRDNCWWEL-DGCLKSJQSA-N 0 3 264.369 2.333 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566398 641365769 /nfs/dbraw/zinc/36/57/69/641365769.db2.gz VMRCWFPFDRMMBU-CQSZACIVSA-N 0 3 276.380 2.130 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566398 641365771 /nfs/dbraw/zinc/36/57/71/641365771.db2.gz VMRCWFPFDRMMBU-CQSZACIVSA-N 0 3 276.380 2.130 20 10 CECDHN C[C@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1[O-] ZINC000183462480 641743410 /nfs/dbraw/zinc/74/34/10/641743410.db2.gz ABLBDVIBRBUZEC-ZDUSSCGKSA-N 0 3 284.359 2.473 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000848569087 642058124 /nfs/dbraw/zinc/05/81/24/642058124.db2.gz BUIQXLRKZMCVDE-JOYOIKCWSA-N 0 3 294.326 2.165 20 10 CECDHN CCc1cccc(CN2CCN(c3cccnn3)CC2)c1O ZINC000848885769 642170579 /nfs/dbraw/zinc/17/05/79/642170579.db2.gz RRCRNGQCOQMZDW-UHFFFAOYSA-N 0 3 298.390 2.067 20 10 CECDHN CCc1cccc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000848908492 642184981 /nfs/dbraw/zinc/18/49/81/642184981.db2.gz VYGIBZXJIPTJEH-UHFFFAOYSA-N 0 3 258.321 2.345 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930845 642200307 /nfs/dbraw/zinc/20/03/07/642200307.db2.gz XQWGJSMDGUXGFG-INIZCTEOSA-N 0 3 290.407 2.079 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930845 642200314 /nfs/dbraw/zinc/20/03/14/642200314.db2.gz XQWGJSMDGUXGFG-INIZCTEOSA-N 0 3 290.407 2.079 20 10 CECDHN Cc1cccc([O-])c1C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000877478677 650740631 /nfs/dbraw/zinc/74/06/31/650740631.db2.gz PNPIHKCWDWCECB-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000877478677 650740635 /nfs/dbraw/zinc/74/06/35/650740635.db2.gz PNPIHKCWDWCECB-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN COc1ccc(C[NH2+]C2CC(n3cccn3)C2)c([O-])c1 ZINC000877494523 650750336 /nfs/dbraw/zinc/75/03/36/650750336.db2.gz YACTWSUATXDBKK-UHFFFAOYSA-N 0 3 273.336 2.091 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877549160 650781903 /nfs/dbraw/zinc/78/19/03/650781903.db2.gz IAQLMNYTUIYRFI-CYBMUJFWSA-N 0 3 278.396 2.343 20 10 CECDHN Cc1ccc(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000877591767 650804013 /nfs/dbraw/zinc/80/40/13/650804013.db2.gz IFTUUIFRAYRQII-AWEZNQCLSA-N 0 3 276.380 2.190 20 10 CECDHN Cc1ccc(C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)c([O-])c1 ZINC000877591767 650804016 /nfs/dbraw/zinc/80/40/16/650804016.db2.gz IFTUUIFRAYRQII-AWEZNQCLSA-N 0 3 276.380 2.190 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000922875385 643303086 /nfs/dbraw/zinc/30/30/86/643303086.db2.gz IPOGSCBFICWPSA-LYILDCAHSA-N 0 3 293.363 2.173 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC[C@H](O)C(F)F)c1[O-] ZINC000877677249 650845490 /nfs/dbraw/zinc/84/54/90/650845490.db2.gz QMCUDQVAFOGBPL-JTQLQIEISA-N 0 3 279.714 2.460 20 10 CECDHN COCC1(C2CC2)C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000877686796 650850761 /nfs/dbraw/zinc/85/07/61/650850761.db2.gz YBWTWBVIQOLUQT-UHFFFAOYSA-N 0 3 265.328 2.390 20 10 CECDHN C[C@@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1[O-] ZINC000854225952 644016281 /nfs/dbraw/zinc/01/62/81/644016281.db2.gz CAJZZGVFMYAQGU-NAUIOFCNSA-N 0 3 266.772 2.448 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC2(N)CCCC2)c1 ZINC000854224666 644016405 /nfs/dbraw/zinc/01/64/05/644016405.db2.gz YGFONYLAEHLYDJ-LLVKDONJSA-N 0 3 292.379 2.101 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877752725 650895998 /nfs/dbraw/zinc/89/59/98/650895998.db2.gz JDARHPRBHSDFIG-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877752725 650895999 /nfs/dbraw/zinc/89/59/99/650895999.db2.gz JDARHPRBHSDFIG-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN COCCOCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756462682 644651547 /nfs/dbraw/zinc/65/15/47/644651547.db2.gz YPCKEVUJOZSPIO-ZYHUDNBSSA-N 0 3 283.343 2.332 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000756526104 644658793 /nfs/dbraw/zinc/65/87/93/644658793.db2.gz FMDMJGYQXFWVBZ-PWSUYJOCSA-N 0 3 296.342 2.413 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756595697 644673819 /nfs/dbraw/zinc/67/38/19/644673819.db2.gz YCRGDGJLMNGJND-SCVCMEIPSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cc(F)ccc1[O-] ZINC000756705492 644684025 /nfs/dbraw/zinc/68/40/25/644684025.db2.gz KJFOYWRPGSOOPR-JTQLQIEISA-N 0 3 280.343 2.241 20 10 CECDHN C[C@H]1C[C@@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1F ZINC000843058859 644774643 /nfs/dbraw/zinc/77/46/43/644774643.db2.gz ZPQHOUWNHZZWPV-IUCAKERBSA-N 0 3 272.751 2.354 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCCOCCO)c2c1c(F)ccc2[O-] ZINC000757637684 644828581 /nfs/dbraw/zinc/82/85/81/644828581.db2.gz MHYVOTFSJPCASI-PWSUYJOCSA-N 0 3 283.343 2.068 20 10 CECDHN COc1ccc(CNC2COC(C)(C)OC2)cc1C ZINC000758010612 644870983 /nfs/dbraw/zinc/87/09/83/644870983.db2.gz QLLYBAAXZAOHBU-UHFFFAOYSA-N 0 3 265.353 2.245 20 10 CECDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)C1(CO)CC1 ZINC000858188618 645083648 /nfs/dbraw/zinc/08/36/48/645083648.db2.gz HIDKEYBZVPOYSI-JTQLQIEISA-N 0 3 284.350 2.281 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000858473493 645173614 /nfs/dbraw/zinc/17/36/14/645173614.db2.gz OTSCKBDMEWODIG-CABZTGNLSA-N 0 3 279.311 2.444 20 10 CECDHN CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000858580193 645208940 /nfs/dbraw/zinc/20/89/40/645208940.db2.gz XNBBJGTUWVJCSB-QXEWZRGKSA-N 0 3 296.342 2.078 20 10 CECDHN C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(F)ccc1[O-] ZINC000858596120 645216230 /nfs/dbraw/zinc/21/62/30/645216230.db2.gz BFGJXIWUSCDETP-VIFPVBQESA-N 0 3 276.302 2.379 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCOCC1CCC1 ZINC000764979836 645717835 /nfs/dbraw/zinc/71/78/35/645717835.db2.gz JTUSODFSRZHMEB-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CCOc1ccc(CN2CCC(C(=O)OC)CC2)c(O)c1 ZINC000768153381 646090653 /nfs/dbraw/zinc/09/06/53/646090653.db2.gz VPXATSFPSKOUEI-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(C(=O)OC)CC2)c([O-])c1 ZINC000768153381 646090655 /nfs/dbraw/zinc/09/06/55/646090655.db2.gz VPXATSFPSKOUEI-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@H]1CCOC1 ZINC000768521736 646134875 /nfs/dbraw/zinc/13/48/75/646134875.db2.gz UOCGOTUXHIBRPZ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@H]1CCOC1 ZINC000768521736 646134879 /nfs/dbraw/zinc/13/48/79/646134879.db2.gz UOCGOTUXHIBRPZ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000769710558 646305144 /nfs/dbraw/zinc/30/51/44/646305144.db2.gz NCEJNOWWMOYAQI-GHMZBOCLSA-N 0 3 251.326 2.058 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CCOCC ZINC000769728416 646307974 /nfs/dbraw/zinc/30/79/74/646307974.db2.gz LLWSKVFTLGGIQS-HNNXBMFYSA-N 0 3 281.396 2.392 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CCOCC ZINC000769728416 646307976 /nfs/dbraw/zinc/30/79/76/646307976.db2.gz LLWSKVFTLGGIQS-HNNXBMFYSA-N 0 3 281.396 2.392 20 10 CECDHN OC[C@@H](NCc1cc(F)ccc1O)c1ccsc1 ZINC000770669554 646424930 /nfs/dbraw/zinc/42/49/30/646424930.db2.gz YXHFMEOMDKEGQY-GFCCVEGCSA-N 0 3 267.325 2.416 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(F)cc1[O-] ZINC000863546636 646754063 /nfs/dbraw/zinc/75/40/63/646754063.db2.gz MBVUPWOYGJDFRM-FOGDFJRCSA-N 0 3 252.333 2.322 20 10 CECDHN CC[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000775503360 646960622 /nfs/dbraw/zinc/96/06/22/646960622.db2.gz GHPDAMJJNXIOBG-HIFRSBDPSA-N 0 3 279.380 2.486 20 10 CECDHN C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000775985485 647013730 /nfs/dbraw/zinc/01/37/30/647013730.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000775985485 647013733 /nfs/dbraw/zinc/01/37/33/647013733.db2.gz LRNNQKJFXGFKBJ-WDEREUQCSA-N 0 3 252.333 2.056 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000778193266 647207757 /nfs/dbraw/zinc/20/77/57/647207757.db2.gz VIBCJJKGGSQXTB-ZIAGYGMSSA-N 0 3 265.353 2.040 20 10 CECDHN C[C@H](O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891978 647477796 /nfs/dbraw/zinc/47/77/96/647477796.db2.gz FQTKSJZEJRFALO-GXTWGEPZSA-N 0 3 280.387 2.485 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783518688 647723806 /nfs/dbraw/zinc/72/38/06/647723806.db2.gz NQWFHYGNYOOFQQ-NEPJUHHUSA-N 0 3 253.342 2.094 20 10 CECDHN CC(C)([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000785607738 647940324 /nfs/dbraw/zinc/94/03/24/647940324.db2.gz RNTAXLMNAOLFOY-UHFFFAOYSA-N 0 3 293.363 2.416 20 10 CECDHN COCCN(Cc1ccc(N(C)C)c(F)c1)[C@H]1CCOC1 ZINC000787335037 648100708 /nfs/dbraw/zinc/10/07/08/648100708.db2.gz PIUHDXDZYLSMNP-AWEZNQCLSA-N 0 3 296.386 2.129 20 10 CECDHN CCn1cccc(C[NH2+][C@H](C)c2ccccc2[O-])c1=O ZINC000788605824 648207187 /nfs/dbraw/zinc/20/71/87/648207187.db2.gz QJVWSOFIQVJIAI-GFCCVEGCSA-N 0 3 272.348 2.425 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCO[C@H]2C)c2c1c(F)ccc2[O-] ZINC000788623261 648209214 /nfs/dbraw/zinc/20/92/14/648209214.db2.gz KNKPCVNYBWEDPA-IZXSPOQTSA-N 0 3 295.354 2.209 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCn1ccc(C(F)(F)F)n1 ZINC000873158102 649574337 /nfs/dbraw/zinc/57/43/37/649574337.db2.gz QNRWAEUPJNIFIJ-UHFFFAOYSA-N 0 3 285.269 2.397 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1[O-] ZINC000879648796 651335400 /nfs/dbraw/zinc/33/54/00/651335400.db2.gz DXMVAFCWEGMLPF-GFCCVEGCSA-N 0 3 288.347 2.294 20 10 CECDHN CC[C@@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000130487241 652270671 /nfs/dbraw/zinc/27/06/71/652270671.db2.gz IMAOZKZQMDTPFO-MRXNPFEDSA-N 0 3 289.423 2.276 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CC1CC1 ZINC000884113139 652713818 /nfs/dbraw/zinc/71/38/18/652713818.db2.gz HGUGHTSCSXVRSD-CQSZACIVSA-N 0 3 276.380 2.258 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)N1CCCCC1)c1ccccc1[O-] ZINC000135719163 652980138 /nfs/dbraw/zinc/98/01/38/652980138.db2.gz WRTKWCFLMSXMFB-CYBMUJFWSA-N 0 3 276.380 2.445 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NCC(C)C)c1 ZINC000135727350 652983894 /nfs/dbraw/zinc/98/38/94/652983894.db2.gz SPCHUVYPIXIMSN-RYUDHWBXSA-N 0 3 294.395 2.212 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](F)[C@@H](N)C2)cc1 ZINC001204820588 806307685 /nfs/dbraw/zinc/30/76/85/806307685.db2.gz SUYHWNCFCIZLNV-CABCVRRESA-N 0 3 265.376 2.014 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)CS(C)(=O)=O)c1ccccc1[O-] ZINC000723884772 802964285 /nfs/dbraw/zinc/96/42/85/802964285.db2.gz ZIMASVKCJSXGKU-LLVKDONJSA-N 0 3 285.409 2.114 20 10 CECDHN CCS(=O)(=O)C1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000693518306 803018843 /nfs/dbraw/zinc/01/88/43/803018843.db2.gz YUIPZUQGVKLPJY-NSHDSACASA-N 0 3 283.393 2.010 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031722 803669193 /nfs/dbraw/zinc/66/91/93/803669193.db2.gz ITFIEMNSPIJUTD-VXGBXAGGSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031722 803669199 /nfs/dbraw/zinc/66/91/99/803669199.db2.gz ITFIEMNSPIJUTD-VXGBXAGGSA-N 0 3 295.379 2.002 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C2CCC(C(N)=O)CC2)c([O-])c1 ZINC000037152060 815018118 /nfs/dbraw/zinc/01/81/18/815018118.db2.gz SKYXESCGZSTQGP-PNESKVBLSA-N 0 3 276.380 2.395 20 10 CECDHN CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037280107 815134663 /nfs/dbraw/zinc/13/46/63/815134663.db2.gz MHRTTXYDYOHOHE-STQMWFEESA-N 0 3 277.412 2.318 20 10 CECDHN COc1cc(C)c(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001236809021 808169510 /nfs/dbraw/zinc/16/95/10/808169510.db2.gz SPHVELVUICZUNF-ZDUSSCGKSA-N 0 3 279.380 2.304 20 10 CECDHN COc1cc(C)c(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC001236809021 808169515 /nfs/dbraw/zinc/16/95/15/808169515.db2.gz SPHVELVUICZUNF-ZDUSSCGKSA-N 0 3 279.380 2.304 20 10 CECDHN CCN1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703308114 809641353 /nfs/dbraw/zinc/64/13/53/809641353.db2.gz MTQAIBNSUHSCDC-SNVBAGLBSA-N 0 3 270.323 2.102 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])C[C@]2(C)C1 ZINC000703489664 809652502 /nfs/dbraw/zinc/65/25/02/809652502.db2.gz HGIVWJFMDBAQOX-ABAIWWIYSA-N 0 3 282.334 2.054 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@]2(C)C1 ZINC000703489664 809652504 /nfs/dbraw/zinc/65/25/04/809652504.db2.gz HGIVWJFMDBAQOX-ABAIWWIYSA-N 0 3 282.334 2.054 20 10 CECDHN C[C@]12C[NH2+]C[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000703557029 809663190 /nfs/dbraw/zinc/66/31/90/809663190.db2.gz AHLYCXBZGKVNEH-SMDDNHRTSA-N 0 3 266.772 2.087 20 10 CECDHN C[C@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1O ZINC001122365317 815405177 /nfs/dbraw/zinc/40/51/77/815405177.db2.gz NAFHYKFROSFPIO-QWHCGFSZSA-N 0 3 291.395 2.237 20 10 CECDHN O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039856 811348355 /nfs/dbraw/zinc/34/83/55/811348355.db2.gz UWXVJXIZSLICMZ-WCQYABFASA-N 0 3 276.336 2.196 20 10 CECDHN O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039856 811348363 /nfs/dbraw/zinc/34/83/63/811348363.db2.gz UWXVJXIZSLICMZ-WCQYABFASA-N 0 3 276.336 2.196 20 10 CECDHN CCCN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000389440438 813250719 /nfs/dbraw/zinc/25/07/19/813250719.db2.gz NPULIUGJFKHBSJ-CYBMUJFWSA-N 0 3 252.333 2.105 20 10 CECDHN COc1cc(CNCc2cccc(OC)c2O)sn1 ZINC000399019095 813691703 /nfs/dbraw/zinc/69/17/03/813691703.db2.gz DAWFRNCXPOACQV-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN CC[C@@H](NCc1ccc(N(CC)CC)cc1)C(=O)NC ZINC000697835691 814652721 /nfs/dbraw/zinc/65/27/21/814652721.db2.gz GKXZNWHULBJIRI-OAHLLOKOSA-N 0 3 277.412 2.147 20 10 CECDHN [O-]c1cccc(F)c1CN1CCN(c2cc[nH+]cc2)CC1 ZINC001137831705 815690399 /nfs/dbraw/zinc/69/03/99/815690399.db2.gz KPKBFTYRIKEVJU-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN COC(=O)[C@@H]1C[C@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055138 816179327 /nfs/dbraw/zinc/17/93/27/816179327.db2.gz LDIBWPCDAMSINB-CMPLNLGQSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055138 816179334 /nfs/dbraw/zinc/17/93/34/816179334.db2.gz LDIBWPCDAMSINB-CMPLNLGQSA-N 0 3 281.327 2.162 20 10 CECDHN CCC(=O)NC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC001140949675 816422579 /nfs/dbraw/zinc/42/25/79/816422579.db2.gz HUWYGJOVSUNOCC-UHFFFAOYSA-N 0 3 276.380 2.191 20 10 CECDHN Cc1nc(C2CCN(Cc3cc(O)ccc3O)CC2)no1 ZINC001141159237 816489717 /nfs/dbraw/zinc/48/97/17/816489717.db2.gz DHFPBVWHXRGVMI-UHFFFAOYSA-N 0 3 289.335 2.169 20 10 CECDHN CN(C)c1ccc(CN(C)CCn2cccn2)cc1F ZINC000125269434 365669942 /nfs/dbraw/zinc/66/99/42/365669942.db2.gz WIZXMORDMKXBRQ-UHFFFAOYSA-N 0 3 276.359 2.220 20 10 CECDHN CCOc1cccc(C[NH2+]CCC(=O)N[C@H](C)CC)c1[O-] ZINC000038013683 361981802 /nfs/dbraw/zinc/98/18/02/361981802.db2.gz NCMWZISPAKNLFC-GFCCVEGCSA-N 0 3 294.395 2.185 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000038013800 361981946 /nfs/dbraw/zinc/98/19/46/361981946.db2.gz WBNQLECLHJQAIT-NWDGAFQWSA-N 0 3 264.369 2.348 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134244047 366303097 /nfs/dbraw/zinc/30/30/97/366303097.db2.gz BPCQPYGYXPKMLB-CWSCBRNRSA-N 0 3 251.326 2.229 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H](O)c1ccsc1)OCO2 ZINC000152546163 366702931 /nfs/dbraw/zinc/70/29/31/366702931.db2.gz HAZMHWCNIUNTQQ-LBPRGKRZSA-N 0 3 293.344 2.006 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856601 364072326 /nfs/dbraw/zinc/07/23/26/364072326.db2.gz OSMDVLATOFAECT-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000091856601 364072328 /nfs/dbraw/zinc/07/23/28/364072328.db2.gz OSMDVLATOFAECT-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN CCOCCO[C@H]1CCN(Cc2cccc(OC)c2O)C1 ZINC000092067512 364075641 /nfs/dbraw/zinc/07/56/41/364075641.db2.gz ITDMWMJOKJCOJH-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CCN(C)C)c1[O-] ZINC000049553121 260663949 /nfs/dbraw/zinc/66/39/49/260663949.db2.gz JDZWTMXNRZPTNK-LBPRGKRZSA-N 0 3 266.385 2.221 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@]2(C)CCOC2)c1[O-] ZINC000169092923 367364416 /nfs/dbraw/zinc/36/44/16/367364416.db2.gz MTTFCPHAPMVNGL-CYBMUJFWSA-N 0 3 271.744 2.323 20 10 CECDHN CC(=O)N1CCC(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000179887935 368356169 /nfs/dbraw/zinc/35/61/69/368356169.db2.gz TXGFZZYLSIYPTH-GFCCVEGCSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[O-] ZINC000179879267 368356325 /nfs/dbraw/zinc/35/63/25/368356325.db2.gz ALOIPBIJJSJGKK-GFCCVEGCSA-N 0 3 262.353 2.055 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180021070 368362621 /nfs/dbraw/zinc/36/26/21/368362621.db2.gz JEXAYTBMUXLWHD-LBPRGKRZSA-N 0 3 294.370 2.270 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180021070 368362626 /nfs/dbraw/zinc/36/26/26/368362626.db2.gz JEXAYTBMUXLWHD-LBPRGKRZSA-N 0 3 294.370 2.270 20 10 CECDHN COc1ccc(O)c(CN2CCSC[C@@H]2C)c1 ZINC000180246496 368375030 /nfs/dbraw/zinc/37/50/30/368375030.db2.gz CFUVVPDGOMTVAM-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000180254013 368375222 /nfs/dbraw/zinc/37/52/22/368375222.db2.gz UCFLJPKMCILRFK-GXTWGEPZSA-N 0 3 283.368 2.238 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000180254013 368375225 /nfs/dbraw/zinc/37/52/25/368375225.db2.gz UCFLJPKMCILRFK-GXTWGEPZSA-N 0 3 283.368 2.238 20 10 CECDHN Cc1cccc(C[NH+]2CCC(Cn3ccnn3)CC2)c1[O-] ZINC000180781112 368394858 /nfs/dbraw/zinc/39/48/58/368394858.db2.gz AZAGKWBEPITWOD-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1noc(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])n1 ZINC000185972514 368896210 /nfs/dbraw/zinc/89/62/10/368896210.db2.gz CXRQQQUSXYASSK-SNVBAGLBSA-N 0 3 261.325 2.285 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000187049359 369091917 /nfs/dbraw/zinc/09/19/17/369091917.db2.gz WSIIXGHUUHXWOV-RKDXNWHRSA-N 0 3 288.185 2.495 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CC2(CO)CC2)c([O-])c1 ZINC000188960027 369435780 /nfs/dbraw/zinc/43/57/80/369435780.db2.gz CWDHKJWFHSGJLN-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CC2(CO)CC2)c([O-])c1 ZINC000188960027 369435784 /nfs/dbraw/zinc/43/57/84/369435784.db2.gz CWDHKJWFHSGJLN-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN CCOCc1cc(CN[C@@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000189328120 369498063 /nfs/dbraw/zinc/49/80/63/369498063.db2.gz NCCGSAJJAKZNGH-CVEARBPZSA-N 0 3 293.407 2.481 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC(F)(F)F ZINC000189663319 369555272 /nfs/dbraw/zinc/55/52/72/369555272.db2.gz BICIBICUJCCJNB-SNVBAGLBSA-N 0 3 263.259 2.137 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CC(F)(F)F ZINC000189663319 369555275 /nfs/dbraw/zinc/55/52/75/369555275.db2.gz BICIBICUJCCJNB-SNVBAGLBSA-N 0 3 263.259 2.137 20 10 CECDHN C[N@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000193071365 369888709 /nfs/dbraw/zinc/88/87/09/369888709.db2.gz CZNNTZZRGNMYHN-OAHLLOKOSA-N 0 3 265.353 2.367 20 10 CECDHN C[N@@H+](CCO[C@@H]1CCCCO1)Cc1ccccc1[O-] ZINC000193071365 369888712 /nfs/dbraw/zinc/88/87/12/369888712.db2.gz CZNNTZZRGNMYHN-OAHLLOKOSA-N 0 3 265.353 2.367 20 10 CECDHN C[C@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)c2c([O-])cccc21 ZINC000638317611 370442507 /nfs/dbraw/zinc/44/25/07/370442507.db2.gz MLVJHBZSRXJFEB-JQWIXIFHSA-N 0 3 272.348 2.280 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@H]3C1)OCO2 ZINC000247052891 371056740 /nfs/dbraw/zinc/05/67/40/371056740.db2.gz UIPHSDPSGPAAGP-FZMZJTMJSA-N 0 3 291.347 2.122 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@H]3C1)OCO2 ZINC000247052891 371056741 /nfs/dbraw/zinc/05/67/41/371056741.db2.gz UIPHSDPSGPAAGP-FZMZJTMJSA-N 0 3 291.347 2.122 20 10 CECDHN CC[C@H](N[C@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048544 372325135 /nfs/dbraw/zinc/32/51/35/372325135.db2.gz WYAHFYQIAKKAJD-ZBFHGGJFSA-N 0 3 280.412 2.191 20 10 CECDHN CO[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271185589 373169079 /nfs/dbraw/zinc/16/90/79/373169079.db2.gz MUQNEAWDIBXCJF-LBPRGKRZSA-N 0 3 252.333 2.112 20 10 CECDHN CCC1(O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272325778 373430631 /nfs/dbraw/zinc/43/06/31/373430631.db2.gz VFGWIKJABZXCRC-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000272399907 373464104 /nfs/dbraw/zinc/46/41/04/373464104.db2.gz ZHRDKJATZQHAGU-QGZVFWFLSA-N 0 3 289.423 2.421 20 10 CECDHN CNC(=O)C1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000272931937 373719342 /nfs/dbraw/zinc/71/93/42/373719342.db2.gz ZQMLASCOSGVROP-HIFPTAJRSA-N 0 3 276.380 2.348 20 10 CECDHN COC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273376081 373753409 /nfs/dbraw/zinc/75/34/09/373753409.db2.gz HHUBEUWUENHTAY-SNVBAGLBSA-N 0 3 296.342 2.413 20 10 CECDHN Cc1ccc([C@H](C)NCC(=O)NCC2CC2)c(O)c1C ZINC000273497851 373760500 /nfs/dbraw/zinc/76/05/00/373760500.db2.gz YFCLOZPSWLLBDZ-LBPRGKRZSA-N 0 3 276.380 2.186 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1C ZINC000273540969 373762579 /nfs/dbraw/zinc/76/25/79/373762579.db2.gz YIPTZGTWRIKXCB-QWHCGFSZSA-N 0 3 288.391 2.423 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678426 374626599 /nfs/dbraw/zinc/62/65/99/374626599.db2.gz KFDNKOJGIMEFCV-WBMJQRKESA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678426 374626608 /nfs/dbraw/zinc/62/66/08/374626608.db2.gz KFDNKOJGIMEFCV-WBMJQRKESA-N 0 3 293.338 2.306 20 10 CECDHN Cc1cccc(CN[C@]2(CO)CCOc3ccccc32)c1O ZINC000282159757 375417841 /nfs/dbraw/zinc/41/78/41/375417841.db2.gz DHPUYOUMVWKVTC-SFHVURJKSA-N 0 3 299.370 2.461 20 10 CECDHN COCCn1cc(CN[C@H](C)c2cc(C)ccc2O)cn1 ZINC000282433433 375483388 /nfs/dbraw/zinc/48/33/88/375483388.db2.gz DJUWIRRRZNOLBA-CYBMUJFWSA-N 0 3 289.379 2.394 20 10 CECDHN CC[C@@H](N[C@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821468 375583686 /nfs/dbraw/zinc/58/36/86/375583686.db2.gz RTXAMUAZWACFSH-IUODEOHRSA-N 0 3 295.402 2.268 20 10 CECDHN O=C(c1cn[n-]c1[C@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000422909794 376860983 /nfs/dbraw/zinc/86/09/83/376860983.db2.gz GVKPUEOFJOYJBW-ZDUSSCGKSA-N 0 3 296.374 2.080 20 10 CECDHN CC/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000294722806 378015857 /nfs/dbraw/zinc/01/58/57/378015857.db2.gz CRXQHSHOZAJQCP-AATRIKPKSA-N 0 3 251.326 2.465 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])[C@H](O)C(F)F ZINC000294927516 378030194 /nfs/dbraw/zinc/03/01/94/378030194.db2.gz BKGVJIQGWKBTEF-QWRKXWFKSA-N 0 3 289.322 2.456 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](O)C(F)F ZINC000296551400 378571230 /nfs/dbraw/zinc/57/12/30/378571230.db2.gz RNSDKRSQFNXRKB-PTOFAABTSA-N 0 3 259.296 2.447 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCc3nccn3C1)CC2 ZINC000296253540 285396864 /nfs/dbraw/zinc/39/68/64/285396864.db2.gz BJYHTYLRPFJZGU-JSGCOSHPSA-N 0 3 283.375 2.428 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCCn2nc(C)cc2C)c1 ZINC000164419204 130378287 /nfs/dbraw/zinc/37/82/87/130378287.db2.gz PTPYBUGXJXAAHB-UHFFFAOYSA-N 0 3 289.379 2.394 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1[O-] ZINC000093813690 394669553 /nfs/dbraw/zinc/66/95/53/394669553.db2.gz VEIVACDPDXOABM-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c1[O-] ZINC000093813690 394669555 /nfs/dbraw/zinc/66/95/55/394669555.db2.gz VEIVACDPDXOABM-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000109543442 394734356 /nfs/dbraw/zinc/73/43/56/394734356.db2.gz SHKJFJVIAQSZNN-GHMZBOCLSA-N 0 3 251.326 2.230 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C[S@](C)=O)c1ccccc1[O-] ZINC000119178596 394765364 /nfs/dbraw/zinc/76/53/64/394765364.db2.gz AKEGKOYMPMGIPQ-YOIRWDDOSA-N 0 3 255.383 2.200 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000361991776 394840883 /nfs/dbraw/zinc/84/08/83/394840883.db2.gz PQHASEMUANLNGA-HNNXBMFYSA-N 0 3 283.375 2.446 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000362042634 394842460 /nfs/dbraw/zinc/84/24/60/394842460.db2.gz UPLNBXVKHCHGBY-UHFFFAOYSA-N 0 3 299.370 2.020 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282127240 394910710 /nfs/dbraw/zinc/91/07/10/394910710.db2.gz BDVRIPFMPWNPSO-SMDDNHRTSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC000282127240 394910711 /nfs/dbraw/zinc/91/07/11/394910711.db2.gz BDVRIPFMPWNPSO-SMDDNHRTSA-N 0 3 265.353 2.400 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000374282218 395078492 /nfs/dbraw/zinc/07/84/92/395078492.db2.gz FJZLAVYVMIEEQF-CQSZACIVSA-N 0 3 257.337 2.426 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1 ZINC000374282218 395078499 /nfs/dbraw/zinc/07/84/99/395078499.db2.gz FJZLAVYVMIEEQF-CQSZACIVSA-N 0 3 257.337 2.426 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C(C)C)cc1 ZINC000178712319 395172279 /nfs/dbraw/zinc/17/22/79/395172279.db2.gz WJZGMCDUYQKUNI-HNNXBMFYSA-N 0 3 277.412 2.132 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1 ZINC000182462051 395242665 /nfs/dbraw/zinc/24/26/65/395242665.db2.gz FETFQIMQDZGUJY-GFCCVEGCSA-N 0 3 289.379 2.332 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H](C)COC)c1 ZINC000179372476 395192556 /nfs/dbraw/zinc/19/25/56/395192556.db2.gz AHZIKVBTJMJJEE-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H](C)COC)c1 ZINC000179372476 395192559 /nfs/dbraw/zinc/19/25/59/395192559.db2.gz AHZIKVBTJMJJEE-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000179469779 395193902 /nfs/dbraw/zinc/19/39/02/395193902.db2.gz QCHQLTIHFFNXEL-CQSZACIVSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cncn3)C2)c1 ZINC000179469779 395193906 /nfs/dbraw/zinc/19/39/06/395193906.db2.gz QCHQLTIHFFNXEL-CQSZACIVSA-N 0 3 272.352 2.129 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000193889596 395417507 /nfs/dbraw/zinc/41/75/07/395417507.db2.gz OPLQBBVUSVXUJV-SDDRHHMPSA-N 0 3 293.363 2.393 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933342 260053284 /nfs/dbraw/zinc/05/32/84/260053284.db2.gz DVJPPXAUASXYHM-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN C[C@H]([NH2+]CCCn1cccn1)c1cc(F)ccc1[O-] ZINC000126309621 260348998 /nfs/dbraw/zinc/34/89/98/260348998.db2.gz XXGRSVARVKDPAV-NSHDSACASA-N 0 3 263.316 2.469 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1[O-] ZINC000155587231 261103864 /nfs/dbraw/zinc/10/38/64/261103864.db2.gz VHMMPXHOLIFALG-JSGCOSHPSA-N 0 3 286.379 2.348 20 10 CECDHN CCCN1CCN(Cc2cc(OCC)ccc2O)CC1 ZINC000156972826 261136982 /nfs/dbraw/zinc/13/69/82/261136982.db2.gz CLEOIVZXMNIQPT-UHFFFAOYSA-N 0 3 278.396 2.319 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC2CC2)cc1OC ZINC000159895410 261197683 /nfs/dbraw/zinc/19/76/83/261197683.db2.gz DENQGPLZNALQHC-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC2CC2)cc1OC ZINC000159895410 261197685 /nfs/dbraw/zinc/19/76/85/261197685.db2.gz DENQGPLZNALQHC-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)[C@H](C)O)c1[O-] ZINC000169093538 261429306 /nfs/dbraw/zinc/42/93/06/261429306.db2.gz HVVOTTNICVDQKZ-QMMMGPOBSA-N 0 3 273.760 2.303 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)NC(C)(C)C ZINC000181234789 261429539 /nfs/dbraw/zinc/42/95/39/261429539.db2.gz RATOBHMDTIGVPI-VHSXEESVSA-N 0 3 282.359 2.485 20 10 CECDHN CCC[N@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184673673 262026043 /nfs/dbraw/zinc/02/60/43/262026043.db2.gz BYUBZUWJNJUGKS-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN CCC[N@@H+](CCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000184673673 262026044 /nfs/dbraw/zinc/02/60/44/262026044.db2.gz BYUBZUWJNJUGKS-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000184694065 262026245 /nfs/dbraw/zinc/02/62/45/262026245.db2.gz YTORUCXGSLJLRI-UHFFFAOYSA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000184694065 262026246 /nfs/dbraw/zinc/02/62/46/262026246.db2.gz YTORUCXGSLJLRI-UHFFFAOYSA-N 0 3 273.760 2.257 20 10 CECDHN COCCN1CCC([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000185145289 262043879 /nfs/dbraw/zinc/04/38/79/262043879.db2.gz QUZCRKYCZXXKGQ-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN C[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])CN1CCOCC1 ZINC000185505669 262057981 /nfs/dbraw/zinc/05/79/81/262057981.db2.gz KGOWRUVTZNMLLX-CHWSQXEVSA-N 0 3 296.386 2.150 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367438278 262075124 /nfs/dbraw/zinc/07/51/24/262075124.db2.gz LZZFRZASAXNZHC-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1[O-] ZINC000367438278 262075127 /nfs/dbraw/zinc/07/51/27/262075127.db2.gz LZZFRZASAXNZHC-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(C)ccc2[O-])C1(C)C ZINC000186590055 262100940 /nfs/dbraw/zinc/10/09/40/262100940.db2.gz XRBGLKOSUAWNJC-NVXWUHKLSA-N 0 3 293.407 2.356 20 10 CECDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C)c(O)c1C ZINC000276918770 263038456 /nfs/dbraw/zinc/03/84/56/263038456.db2.gz QLXYHMLMZMNMHZ-RYUDHWBXSA-N 0 3 264.369 2.136 20 10 CECDHN C[C@H](NC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296330707 263190130 /nfs/dbraw/zinc/19/01/30/263190130.db2.gz HTPFBNOJBGKKSK-ZDUSSCGKSA-N 0 3 287.407 2.044 20 10 CECDHN COc1cc(Cl)cc(CN2CC[NH+]3CCC2CC3)c1[O-] ZINC000367670182 267107606 /nfs/dbraw/zinc/10/76/06/267107606.db2.gz SYLJWCMUTIYFKF-UHFFFAOYSA-N 0 3 296.798 2.334 20 10 CECDHN C[C@H]1CCOCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000368593788 267190043 /nfs/dbraw/zinc/19/00/43/267190043.db2.gz PUNCLWQTLGJHJL-HNNXBMFYSA-N 0 3 290.407 2.134 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)cc1C ZINC000369227091 267228033 /nfs/dbraw/zinc/22/80/33/267228033.db2.gz XWROIYWJLRYCCN-HUUCEWRRSA-N 0 3 288.391 2.252 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369684368 267259090 /nfs/dbraw/zinc/25/90/90/267259090.db2.gz UVCFCKGWDAEKKX-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369684368 267259092 /nfs/dbraw/zinc/25/90/92/267259092.db2.gz UVCFCKGWDAEKKX-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c([O-])c1 ZINC000367436859 327828552 /nfs/dbraw/zinc/82/85/52/327828552.db2.gz HMKREBBJDLCNFP-YLVFBTJISA-N 0 3 288.391 2.408 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000277204536 328220749 /nfs/dbraw/zinc/22/07/49/328220749.db2.gz JTRSKTNFPOMGBI-NSHDSACASA-N 0 3 294.370 2.488 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000375074601 329000114 /nfs/dbraw/zinc/00/01/14/329000114.db2.gz NCBFUOBUMGUVPL-CYBMUJFWSA-N 0 3 298.390 2.283 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1[O-] ZINC000375074601 329000116 /nfs/dbraw/zinc/00/01/16/329000116.db2.gz NCBFUOBUMGUVPL-CYBMUJFWSA-N 0 3 298.390 2.283 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622676 329021395 /nfs/dbraw/zinc/02/13/95/329021395.db2.gz IJDHETJJZDLGGF-XJKSGUPXSA-N 0 3 274.364 2.055 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000377622676 329021396 /nfs/dbraw/zinc/02/13/96/329021396.db2.gz IJDHETJJZDLGGF-XJKSGUPXSA-N 0 3 274.364 2.055 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000378457134 329051458 /nfs/dbraw/zinc/05/14/58/329051458.db2.gz PXXGYKFDAJKYHL-CYBMUJFWSA-N 0 3 257.337 2.071 20 10 CECDHN COc1cccc(CN[C@]2(CO)CCc3ccccc32)c1O ZINC000135910219 329669156 /nfs/dbraw/zinc/66/91/56/329669156.db2.gz HJNWXXLIIMQERX-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN Cc1n[nH]cc1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584353 333265642 /nfs/dbraw/zinc/26/56/42/333265642.db2.gz ZTVRVFJLIRGKRP-UHFFFAOYSA-N 0 3 263.316 2.285 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(F)ccc1[O-] ZINC000228092837 333294800 /nfs/dbraw/zinc/29/48/00/333294800.db2.gz DUBSDIRXWCDDAR-MNOVXSKESA-N 0 3 280.343 2.193 20 10 CECDHN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cn[nH]c1 ZINC000229884987 333310765 /nfs/dbraw/zinc/31/07/65/333310765.db2.gz VYYXJJINMJNZIN-CYBMUJFWSA-N 0 3 286.379 2.097 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H](C)CO)c1 ZINC000230669726 333320288 /nfs/dbraw/zinc/32/02/88/333320288.db2.gz FCCDDBYQABVROY-VXGBXAGGSA-N 0 3 267.369 2.460 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000125821243 521140123 /nfs/dbraw/zinc/14/01/23/521140123.db2.gz VCHDROSBQBIBSC-YPMHNXCESA-N 0 3 263.337 2.214 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000279915812 519539036 /nfs/dbraw/zinc/53/90/36/519539036.db2.gz WZVNKNIILPWZPG-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CCCCC[N@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000126887932 520171207 /nfs/dbraw/zinc/17/12/07/520171207.db2.gz APEPFJKPGKXNBT-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCCC[N@@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000126887932 520171215 /nfs/dbraw/zinc/17/12/15/520171215.db2.gz APEPFJKPGKXNBT-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccco2)c1 ZINC000266165105 521150014 /nfs/dbraw/zinc/15/00/14/521150014.db2.gz PBWVOMOAGWKXFB-MRXNPFEDSA-N 0 3 291.347 2.381 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000289958276 521155092 /nfs/dbraw/zinc/15/50/92/521155092.db2.gz YBMFPSXVZZIUKS-GHMZBOCLSA-N 0 3 253.342 2.304 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c1[O-] ZINC000278604497 521371364 /nfs/dbraw/zinc/37/13/64/521371364.db2.gz ICLJSEJQRKOOQR-KBPBESRZSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(CN[C@@H](COC)[C@@H]2CCCO2)c1O ZINC000278604497 521371367 /nfs/dbraw/zinc/37/13/67/521371367.db2.gz ICLJSEJQRKOOQR-KBPBESRZSA-N 0 3 295.379 2.075 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccc(C)cc1[O-] ZINC000280269072 522611170 /nfs/dbraw/zinc/61/11/70/522611170.db2.gz XSTPRBNEUPVDIO-JSGCOSHPSA-N 0 3 267.369 2.403 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])[C@H]1CCCO1 ZINC000278932149 522760944 /nfs/dbraw/zinc/76/09/44/522760944.db2.gz XNPDJNHJWLQORD-HZUKXOBISA-N 0 3 295.379 2.245 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C)cc1[O-] ZINC000280941510 522816881 /nfs/dbraw/zinc/81/68/81/522816881.db2.gz SNBZNOJEXMUNFE-LLVKDONJSA-N 0 3 286.322 2.123 20 10 CECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289518586 524069926 /nfs/dbraw/zinc/06/99/26/524069926.db2.gz HBAYKDMENCZNLE-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000289518586 524069928 /nfs/dbraw/zinc/06/99/28/524069928.db2.gz HBAYKDMENCZNLE-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN COc1ccc(N2CCN(C[C@H](O)C(C)(C)C)CC2)cc1 ZINC000059322679 524426274 /nfs/dbraw/zinc/42/62/74/524426274.db2.gz HZGVHSYPZMUOMS-INIZCTEOSA-N 0 3 292.423 2.224 20 10 CECDHN COc1ccccc1CNCc1cc2c(cc1O)OCO2 ZINC000042879117 524487561 /nfs/dbraw/zinc/48/75/61/524487561.db2.gz WTSBMJNONDWMSV-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN Cc1cc(CN2CCC(CC(N)=O)CC2)ccc1N(C)C ZINC000293384160 524675467 /nfs/dbraw/zinc/67/54/67/524675467.db2.gz GLIHAIYOEFRYDX-UHFFFAOYSA-N 0 3 289.423 2.148 20 10 CECDHN COc1ncccc1CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000289422012 525045740 /nfs/dbraw/zinc/04/57/40/525045740.db2.gz BPTNJQKHSKWHSH-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN Cc1cc(O)c(CN[C@@H](C)C(=O)N2CCCC2)cc1C ZINC000281390629 525323689 /nfs/dbraw/zinc/32/36/89/525323689.db2.gz OYVGEUCVJJCSHN-ZDUSSCGKSA-N 0 3 276.380 2.110 20 10 CECDHN Cc1c([C@H](C)NCc2cc3c(cc2O)OCO3)cnn1C ZINC000042880118 525919527 /nfs/dbraw/zinc/91/95/27/525919527.db2.gz WSHVRWHJSIVIDC-VIFPVBQESA-N 0 3 289.335 2.014 20 10 CECDHN COc1cccc(C[NH2+]CCC2(OC)CCC2)c1[O-] ZINC000292832578 526013324 /nfs/dbraw/zinc/01/33/24/526013324.db2.gz APYGAVOGIBKYPU-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000119539487 527607773 /nfs/dbraw/zinc/60/77/73/527607773.db2.gz WSQQFKVPCZVRKK-HNNXBMFYSA-N 0 3 275.323 2.225 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000732668940 574625716 /nfs/dbraw/zinc/62/57/16/574625716.db2.gz LTJGSBUQALDLIY-OAHLLOKOSA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1cccc(CNC[C@@H](OC)C(F)(F)F)c1O ZINC000733330020 574665040 /nfs/dbraw/zinc/66/50/40/574665040.db2.gz OIBCEGHKNGPTPF-LLVKDONJSA-N 0 3 293.285 2.458 20 10 CECDHN O=C(c1cc([O-])cs1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000743711694 575109108 /nfs/dbraw/zinc/10/91/08/575109108.db2.gz CGXWDOSYAWHEKA-GFCCVEGCSA-N 0 3 294.420 2.402 20 10 CECDHN C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000746409920 575156012 /nfs/dbraw/zinc/15/60/12/575156012.db2.gz SVLQGVBVZYJADJ-LBPRGKRZSA-N 0 3 294.420 2.258 20 10 CECDHN C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000746409920 575156013 /nfs/dbraw/zinc/15/60/13/575156013.db2.gz SVLQGVBVZYJADJ-LBPRGKRZSA-N 0 3 294.420 2.258 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2CCCN(C)C2=O)cc1 ZINC000748242806 575181100 /nfs/dbraw/zinc/18/11/00/575181100.db2.gz RDMRPSHHUDXMPE-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN CCOCc1cc(CNCCN2CCC2)ccc1OC ZINC000752107031 575305542 /nfs/dbraw/zinc/30/55/42/575305542.db2.gz NYOFTEUIYCGULY-UHFFFAOYSA-N 0 3 278.396 2.027 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]C[C@H]2CCN2C)c1[O-] ZINC000896595655 630608838 /nfs/dbraw/zinc/60/88/38/630608838.db2.gz WPODQGNWOFPAPS-GFCCVEGCSA-N 0 3 299.212 2.257 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2[O-] ZINC000806664425 622969059 /nfs/dbraw/zinc/96/90/59/622969059.db2.gz PZZWUMKNMZRMRQ-JQWIXIFHSA-N 0 3 297.370 2.457 20 10 CECDHN CCc1nn(C)cc1CNCc1ccc(N(C)C)cc1 ZINC000092365302 623573138 /nfs/dbraw/zinc/57/31/38/623573138.db2.gz LKOQOXGSSJCPPM-UHFFFAOYSA-N 0 3 272.396 2.338 20 10 CECDHN COc1ccc(C[N@H+](C)CC(C)C)c([O-])c1OC ZINC000891578917 623801143 /nfs/dbraw/zinc/80/11/43/623801143.db2.gz PZGAFSTXYGPHOM-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN COc1ccc(C[N@@H+](C)CC(C)C)c([O-])c1OC ZINC000891578917 623801154 /nfs/dbraw/zinc/80/11/54/623801154.db2.gz PZGAFSTXYGPHOM-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN CCC[N@H+](CCCCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000162295302 627324349 /nfs/dbraw/zinc/32/43/49/627324349.db2.gz KHEAOXYNCSRYEI-UHFFFAOYSA-N 0 3 299.436 2.429 20 10 CECDHN CCC[N@@H+](CCCCS(C)(=O)=O)Cc1ccccc1[O-] ZINC000162295302 627324354 /nfs/dbraw/zinc/32/43/54/627324354.db2.gz KHEAOXYNCSRYEI-UHFFFAOYSA-N 0 3 299.436 2.429 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185531013 628233211 /nfs/dbraw/zinc/23/32/11/628233211.db2.gz KVNLZPVSELAXLC-GXSJLCMTSA-N 0 3 273.373 2.296 20 10 CECDHN C[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O ZINC000192756696 628450995 /nfs/dbraw/zinc/45/09/95/628450995.db2.gz AUKZENSUTCKEJB-GFCCVEGCSA-N 0 3 261.321 2.368 20 10 CECDHN COc1cc(C)cc(CNCc2cc(C)n[nH]2)c1O ZINC000894291348 629310608 /nfs/dbraw/zinc/31/06/08/629310608.db2.gz KWDRRIOUBLJEKL-UHFFFAOYSA-N 0 3 261.325 2.031 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(C)cc1[O-] ZINC000794819421 629327791 /nfs/dbraw/zinc/32/77/91/629327791.db2.gz WQBKLVZLNWDXLY-JLJPHGGASA-N 0 3 292.423 2.460 20 10 CECDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1cc(C)cc(OC)c1O ZINC000894386650 629418767 /nfs/dbraw/zinc/41/87/67/629418767.db2.gz KPXMEFDLQJBLHA-NWDGAFQWSA-N 0 3 294.395 2.102 20 10 CECDHN COc1cc(C)cc(CN2CCC[C@@H]2C2OCCO2)c1O ZINC000902623621 634737791 /nfs/dbraw/zinc/73/77/91/634737791.db2.gz ZZFJCNVRXTWJLG-CYBMUJFWSA-N 0 3 293.363 2.047 20 10 CECDHN CCCC[N@H+](CCCO)Cc1ccc(OC)c(OC)c1[O-] ZINC000894473915 629481917 /nfs/dbraw/zinc/48/19/17/629481917.db2.gz ASQQHCMRHPOQDK-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN CCCC[N@@H+](CCCO)Cc1ccc(OC)c(OC)c1[O-] ZINC000894473915 629481921 /nfs/dbraw/zinc/48/19/21/629481921.db2.gz ASQQHCMRHPOQDK-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN COc1cc(C)cc(CN(C)Cc2cnc[nH]2)c1O ZINC000895224647 630042213 /nfs/dbraw/zinc/04/22/13/630042213.db2.gz KYJCYNPJJCHYIH-UHFFFAOYSA-N 0 3 261.325 2.064 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1 ZINC000895315526 630103158 /nfs/dbraw/zinc/10/31/58/630103158.db2.gz AQSHMNKZGKVDTI-OAHLLOKOSA-N 0 3 289.423 2.147 20 10 CECDHN CC1=NO[C@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000895428528 630178984 /nfs/dbraw/zinc/17/89/84/630178984.db2.gz IADTZTRUKZLHMG-AWEZNQCLSA-N 0 3 260.337 2.266 20 10 CECDHN COc1cc(C)cc(CN[C@H](C)[C@H](O)C(F)(F)F)c1O ZINC000895445706 630194150 /nfs/dbraw/zinc/19/41/50/630194150.db2.gz VVFGARGLGGIPIC-PELKAZGASA-N 0 3 293.285 2.111 20 10 CECDHN CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797419427 630232362 /nfs/dbraw/zinc/23/23/62/630232362.db2.gz LPZCKAFTRTVKMQ-MEBBXXQBSA-N 0 3 275.348 2.216 20 10 CECDHN CC1=C[C@@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797419427 630232371 /nfs/dbraw/zinc/23/23/71/630232371.db2.gz LPZCKAFTRTVKMQ-MEBBXXQBSA-N 0 3 275.348 2.216 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779663 630347888 /nfs/dbraw/zinc/34/78/88/630347888.db2.gz RUZNMRPZYSXXTG-PHIMTYICSA-N 0 3 253.342 2.326 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779663 630347891 /nfs/dbraw/zinc/34/78/91/630347891.db2.gz RUZNMRPZYSXXTG-PHIMTYICSA-N 0 3 253.342 2.326 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c([O-])c1 ZINC000896847900 630688917 /nfs/dbraw/zinc/68/89/17/630688917.db2.gz KNFGLDVIBPIPSX-CFVMTHIKSA-N 0 3 259.349 2.381 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)CC(C)(C)O)c([O-])c1 ZINC000824695748 635478650 /nfs/dbraw/zinc/47/86/50/635478650.db2.gz BZELSQNMZDPCPS-LLVKDONJSA-N 0 3 267.369 2.430 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000897051504 630910951 /nfs/dbraw/zinc/91/09/51/630910951.db2.gz XWWVJZNSZZBMEG-UWEBFBLFSA-N 0 3 277.364 2.473 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897257970 631023961 /nfs/dbraw/zinc/02/39/61/631023961.db2.gz FNBYNVVDGUPYAW-AWEZNQCLSA-N 0 3 291.391 2.207 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CSC1(C)C ZINC000801736047 631313478 /nfs/dbraw/zinc/31/34/78/631313478.db2.gz SQETZJNCZNRBQC-GFCCVEGCSA-N 0 3 253.367 2.384 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1[O-] ZINC000802313019 631423590 /nfs/dbraw/zinc/42/35/90/631423590.db2.gz DTXYONVFOSDFSA-TZMCWYRMSA-N 0 3 276.380 2.490 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCN(C)C)c2c1c(F)ccc2[O-] ZINC000806171463 631724139 /nfs/dbraw/zinc/72/41/39/631724139.db2.gz JMXXIMDYWSHNHI-ONGXEEELSA-N 0 3 252.333 2.231 20 10 CECDHN CN1CC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]21 ZINC000840132337 631942325 /nfs/dbraw/zinc/94/23/25/631942325.db2.gz LAIYNKZXDXANRB-CJNGLKHVSA-N 0 3 283.375 2.076 20 10 CECDHN CN1CC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@@H]21 ZINC000840132337 631942328 /nfs/dbraw/zinc/94/23/28/631942328.db2.gz LAIYNKZXDXANRB-CJNGLKHVSA-N 0 3 283.375 2.076 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000809692840 632127994 /nfs/dbraw/zinc/12/79/94/632127994.db2.gz ICAORMKWMKOESC-XBXGTLAGSA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c([O-])c1 ZINC000809692840 632128000 /nfs/dbraw/zinc/12/80/00/632128000.db2.gz ICAORMKWMKOESC-XBXGTLAGSA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000809743648 632136512 /nfs/dbraw/zinc/13/65/12/632136512.db2.gz YPKNTXDJYXQXAT-GFCCVEGCSA-N 0 3 293.285 2.194 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809778410 632144693 /nfs/dbraw/zinc/14/46/93/632144693.db2.gz OZRIVNPSWUTLHX-ZDUSSCGKSA-N 0 3 294.370 2.270 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809778410 632144698 /nfs/dbraw/zinc/14/46/98/632144698.db2.gz OZRIVNPSWUTLHX-ZDUSSCGKSA-N 0 3 294.370 2.270 20 10 CECDHN COCC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000811517144 632394177 /nfs/dbraw/zinc/39/41/77/632394177.db2.gz JLBGIFVKYOEZFX-ZDUSSCGKSA-N 0 3 287.787 2.495 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C)cc1[O-] ZINC000927125574 632473101 /nfs/dbraw/zinc/47/31/01/632473101.db2.gz AEFLQSGFOYWOGQ-XJKSGUPXSA-N 0 3 289.379 2.208 20 10 CECDHN Cc1cc(CN(C)[C@H]2CCCCNC2=O)ccc1N(C)C ZINC000815037577 632951697 /nfs/dbraw/zinc/95/16/97/632951697.db2.gz OZUWSGKICJILKN-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN NC(=O)C[C@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000815154190 632973170 /nfs/dbraw/zinc/97/31/70/632973170.db2.gz DHAQQSHJZFUAIX-AWEZNQCLSA-N 0 3 270.332 2.099 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC000817415457 633655146 /nfs/dbraw/zinc/65/51/46/633655146.db2.gz XGPVANFZKGAWLP-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC000817415457 633655152 /nfs/dbraw/zinc/65/51/52/633655152.db2.gz XGPVANFZKGAWLP-DGCLKSJQSA-N 0 3 265.353 2.136 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942397 633790493 /nfs/dbraw/zinc/79/04/93/633790493.db2.gz YFRLBPLKIPSKOJ-YPMHNXCESA-N 0 3 252.333 2.324 20 10 CECDHN C[C@H](NC[C@H]1CCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000817948925 633795020 /nfs/dbraw/zinc/79/50/20/633795020.db2.gz FLVNHHVVQQNSLP-GXSJLCMTSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1cc(F)cc(F)c1[O-] ZINC000817948925 633795023 /nfs/dbraw/zinc/79/50/23/633795023.db2.gz FLVNHHVVQQNSLP-GXSJLCMTSA-N 0 3 270.323 2.463 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CN)CC(C)C)c1 ZINC000817959797 633801295 /nfs/dbraw/zinc/80/12/95/633801295.db2.gz VGBJZVWMZMMJDC-AAEUAGOBSA-N 0 3 294.395 2.203 20 10 CECDHN C[C@@H](NCC[C@H]1CCC[NH2+]1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817968522 633812114 /nfs/dbraw/zinc/81/21/14/633812114.db2.gz KVEMXCHRSMCQLY-GHMZBOCLSA-N 0 3 279.340 2.093 20 10 CECDHN C[C@@H]([NH2+]C[C@H](C)N)c1cccc(C(F)(F)F)c1[O-] ZINC000817973281 633816668 /nfs/dbraw/zinc/81/66/68/633816668.db2.gz SJJDJLWSRVZRRS-JGVFFNPUSA-N 0 3 262.275 2.409 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCCOCC2)c([O-])c1 ZINC000903228145 635026959 /nfs/dbraw/zinc/02/69/59/635026959.db2.gz POIXPSDOWSUIER-CQSZACIVSA-N 0 3 278.396 2.074 20 10 CECDHN C[C@H]1C[C@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000903260315 635033300 /nfs/dbraw/zinc/03/33/00/635033300.db2.gz OVBHOROECILEQL-FJUHHBQUSA-N 0 3 292.354 2.323 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@H](C)CCO)c([O-])c1 ZINC000824517428 635440577 /nfs/dbraw/zinc/44/05/77/635440577.db2.gz UVGVFRYJGJAJOP-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CC[C@@H]([NH2+]CC[C@](C)(O)COC)c1ccccc1[O-] ZINC000824559320 635449916 /nfs/dbraw/zinc/44/99/16/635449916.db2.gz PEHLQUSATOVNGE-HIFRSBDPSA-N 0 3 267.369 2.220 20 10 CECDHN CCN1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000824887267 635518112 /nfs/dbraw/zinc/51/81/12/635518112.db2.gz SZLMJOOVBDFXKT-GFCCVEGCSA-N 0 3 282.771 2.064 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124603 635573807 /nfs/dbraw/zinc/57/38/07/635573807.db2.gz TZSAZKXYJZJPMQ-CMPLNLGQSA-N 0 3 275.270 2.137 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124603 635573811 /nfs/dbraw/zinc/57/38/11/635573811.db2.gz TZSAZKXYJZJPMQ-CMPLNLGQSA-N 0 3 275.270 2.137 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826901931 635876465 /nfs/dbraw/zinc/87/64/65/635876465.db2.gz DWBNOXZEHFPZCC-KCPJHIHWSA-N 0 3 297.370 2.187 20 10 CECDHN C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826910299 635879737 /nfs/dbraw/zinc/87/97/37/635879737.db2.gz DWOUTBXIHRIADO-NQCMUKECSA-N 0 3 285.384 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)CC2CN(C)C2)c1[O-] ZINC000827125041 636224425 /nfs/dbraw/zinc/22/44/25/636224425.db2.gz GXQSOHKOVZLXQW-UHFFFAOYSA-N 0 3 268.788 2.347 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)CC2CN(C)C2)c1[O-] ZINC000827125041 636224430 /nfs/dbraw/zinc/22/44/30/636224430.db2.gz GXQSOHKOVZLXQW-UHFFFAOYSA-N 0 3 268.788 2.347 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827152349 636239657 /nfs/dbraw/zinc/23/96/57/636239657.db2.gz SIYGDOSHOZQFSW-JYAVWHMHSA-N 0 3 279.380 2.240 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827152349 636239665 /nfs/dbraw/zinc/23/96/65/636239665.db2.gz SIYGDOSHOZQFSW-JYAVWHMHSA-N 0 3 279.380 2.240 20 10 CECDHN CN(C)c1ccc(CN2CCC3(COC3)C2)cc1F ZINC000827643401 636373240 /nfs/dbraw/zinc/37/32/40/636373240.db2.gz KSCKBLJMAPLMBE-UHFFFAOYSA-N 0 3 264.344 2.114 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907904 636457634 /nfs/dbraw/zinc/45/76/34/636457634.db2.gz JWNMGPKIAKWZIU-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)C2(CO)CCOCC2)c1[O-] ZINC000827907904 636457640 /nfs/dbraw/zinc/45/76/40/636457640.db2.gz JWNMGPKIAKWZIU-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827972858 636475790 /nfs/dbraw/zinc/47/57/90/636475790.db2.gz AYZPMLQHZYLOLQ-XQQFMLRXSA-N 0 3 276.380 2.442 20 10 CECDHN CC(C)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000828539544 636624350 /nfs/dbraw/zinc/62/43/50/636624350.db2.gz PYHMEOAXEODIPM-JSGCOSHPSA-N 0 3 276.380 2.442 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(CC3CC3)C1)CC2 ZINC000834575885 637875812 /nfs/dbraw/zinc/87/58/12/637875812.db2.gz PHUNMUDISQIDFU-GJZGRUSLSA-N 0 3 272.392 2.453 20 10 CECDHN CC1(C)OCC([NH2+][C@H]2CCc3cccc([O-])c32)CO1 ZINC000834764830 637943658 /nfs/dbraw/zinc/94/36/58/637943658.db2.gz HIHJCOUBNWOWJN-LBPRGKRZSA-N 0 3 263.337 2.121 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808239 637957260 /nfs/dbraw/zinc/95/72/60/637957260.db2.gz YPFPJXSCJCUKFI-WCQYABFASA-N 0 3 269.348 2.250 20 10 CECDHN CC[C@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C)cc1[O-] ZINC000834903658 637982368 /nfs/dbraw/zinc/98/23/68/637982368.db2.gz KUYYWFFBYDSSNQ-INIZCTEOSA-N 0 3 292.423 2.198 20 10 CECDHN COC(=O)[C@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026670 638031268 /nfs/dbraw/zinc/03/12/68/638031268.db2.gz ZNQYMTYFASCBQE-XVWMLYKFSA-N 0 3 288.391 2.261 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CC[C@H](n3cncn3)C2)cc1 ZINC000835045869 638036218 /nfs/dbraw/zinc/03/62/18/638036218.db2.gz KZTLXNXPURCYCP-IDOMTICXSA-N 0 3 297.406 2.304 20 10 CECDHN CC1(C)C[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000835061443 638044985 /nfs/dbraw/zinc/04/49/85/638044985.db2.gz ZYKVRPPEEDIAIV-LLVKDONJSA-N 0 3 293.363 2.416 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876764370 650424737 /nfs/dbraw/zinc/42/47/37/650424737.db2.gz MGILTILKGMZRIH-LBPRGKRZSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1c(C)cccc1[O-] ZINC000876764370 650424739 /nfs/dbraw/zinc/42/47/39/650424739.db2.gz MGILTILKGMZRIH-LBPRGKRZSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(OCCCO)CC1 ZINC000876771725 650427377 /nfs/dbraw/zinc/42/73/77/650427377.db2.gz XHTBUBISLQQCQK-UHFFFAOYSA-N 0 3 279.380 2.064 20 10 CECDHN CCCNC(=O)CC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000045071808 639386915 /nfs/dbraw/zinc/38/69/15/639386915.db2.gz LXTPHSHXGJGURB-CYBMUJFWSA-N 0 3 264.369 2.349 20 10 CECDHN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000840889243 639574132 /nfs/dbraw/zinc/57/41/32/639574132.db2.gz QIOAMDKICPHITK-JTQLQIEISA-N 0 3 289.372 2.007 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000840962640 639602398 /nfs/dbraw/zinc/60/23/98/639602398.db2.gz INDNEVQFLYHNTI-CQSZACIVSA-N 0 3 275.323 2.397 20 10 CECDHN C[C@@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060717 639636413 /nfs/dbraw/zinc/63/64/13/639636413.db2.gz BLOIJMGDTSCYFY-KCJUWKMLSA-N 0 3 299.758 2.184 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1NCCc2ccccc21 ZINC000841069318 639642261 /nfs/dbraw/zinc/64/22/61/639642261.db2.gz UGEGKEDAZKGIAH-INIZCTEOSA-N 0 3 268.360 2.369 20 10 CECDHN C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[O-] ZINC000230206252 639746625 /nfs/dbraw/zinc/74/66/25/639746625.db2.gz QZZFOKUVORUCME-QWRGUYRKSA-N 0 3 251.326 2.194 20 10 CECDHN Cc1nc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841753982 639858605 /nfs/dbraw/zinc/85/86/05/639858605.db2.gz OWGXGICWCBKZIO-MRVPVSSYSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2c(C)cccc2[O-])o1 ZINC000877060302 650554380 /nfs/dbraw/zinc/55/43/80/650554380.db2.gz WTKAUKVAOKOWLS-AWEZNQCLSA-N 0 3 261.321 2.425 20 10 CECDHN Cc1cc(Br)c([O-])c(CN2CC[C@@H](C[NH3+])C2)c1 ZINC000843048406 640252926 /nfs/dbraw/zinc/25/29/26/640252926.db2.gz QKSJRUQPOLCGNI-JTQLQIEISA-N 0 3 299.212 2.244 20 10 CECDHN C[C@@H]1C[C@@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1F ZINC000843058857 640260955 /nfs/dbraw/zinc/26/09/55/640260955.db2.gz ZPQHOUWNHZZWPV-BDAKNGLRSA-N 0 3 272.751 2.354 20 10 CECDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Cl)ccc1[O-] ZINC000843065897 640265727 /nfs/dbraw/zinc/26/57/27/640265727.db2.gz RBMKRHMZANRRLO-AOOOYVTPSA-N 0 3 254.761 2.228 20 10 CECDHN C[C@]1(C[NH3+])CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843114530 640285709 /nfs/dbraw/zinc/28/57/09/640285709.db2.gz CYUXWNXMMZJRRX-CYBMUJFWSA-N 0 3 299.212 2.325 20 10 CECDHN CN(Cc1cccc(Cl)c1[O-])C1(C[NH3+])CCC1 ZINC000843124691 640290371 /nfs/dbraw/zinc/29/03/71/640290371.db2.gz FLKZYJXHISIWKY-UHFFFAOYSA-N 0 3 254.761 2.359 20 10 CECDHN CC[NH+](CC)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000914412261 640346775 /nfs/dbraw/zinc/34/67/75/640346775.db2.gz SRUKTCXVASXRQP-LLVKDONJSA-N 0 3 297.374 2.061 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H](Nc3ncccn3)C2)cc1 ZINC000843414899 640419589 /nfs/dbraw/zinc/41/95/89/640419589.db2.gz FBQVKKMCJGAXTA-HNNXBMFYSA-N 0 3 297.406 2.229 20 10 CECDHN COC(=O)[C@@H](C)C[N@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000877171086 650608397 /nfs/dbraw/zinc/60/83/97/650608397.db2.gz YQAVRZDZBXDWBI-LBPRGKRZSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000877171086 650608398 /nfs/dbraw/zinc/60/83/98/650608398.db2.gz YQAVRZDZBXDWBI-LBPRGKRZSA-N 0 3 277.364 2.474 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cncnc2)c1 ZINC000845973260 641142104 /nfs/dbraw/zinc/14/21/04/641142104.db2.gz WXFHVHLRNVIOLD-SNVBAGLBSA-N 0 3 259.309 2.042 20 10 CECDHN CC(=O)N1CCN(Cc2cccc(C)c2O)C(C)(C)C1 ZINC000182085240 641622706 /nfs/dbraw/zinc/62/27/06/641622706.db2.gz FFQRAYZKVXCZET-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnn(C)c2C)c1 ZINC000182450962 641660816 /nfs/dbraw/zinc/66/08/16/641660816.db2.gz LILRBSMNZYIARW-SNVBAGLBSA-N 0 3 275.352 2.294 20 10 CECDHN C[C@@H]([NH2+]CCC1(C)OCCO1)c1cc(F)ccc1[O-] ZINC000183904775 641812743 /nfs/dbraw/zinc/81/27/43/641812743.db2.gz PNWHOXFZADLMOY-SNVBAGLBSA-N 0 3 269.316 2.335 20 10 CECDHN CC(=O)N1CCN(Cc2cc(C)ccc2O)C(C)(C)C1 ZINC000184725755 641900081 /nfs/dbraw/zinc/90/00/81/641900081.db2.gz MRMCVEQKZUXHAD-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN CNC(=O)c1cccc(CN(C)Cc2ccccc2O)c1 ZINC000072964107 642006867 /nfs/dbraw/zinc/00/68/67/642006867.db2.gz KTRKJTIBYUKBOE-UHFFFAOYSA-N 0 3 284.359 2.384 20 10 CECDHN CCc1cccc(CNCc2n[nH]c(C3CC3)n2)c1O ZINC000848916251 642189510 /nfs/dbraw/zinc/18/95/10/642189510.db2.gz RIAFIGOERZJWIE-UHFFFAOYSA-N 0 3 272.352 2.240 20 10 CECDHN CCOc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)c([O-])c1 ZINC000848928499 642199514 /nfs/dbraw/zinc/19/95/14/642199514.db2.gz FSQYUAGZKPKKLM-LLVKDONJSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)c([O-])c1 ZINC000848928499 642199517 /nfs/dbraw/zinc/19/95/17/642199517.db2.gz FSQYUAGZKPKKLM-LLVKDONJSA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc(CNC(=[NH2+])N2CCC(C)CC2)c([O-])c1 ZINC000849025318 642238473 /nfs/dbraw/zinc/23/84/73/642238473.db2.gz YYOLWNWECNGXJJ-UHFFFAOYSA-N 0 3 277.368 2.157 20 10 CECDHN Cc1c(CN(C)Cc2c(C)cccc2O)cnn1C ZINC000877487057 650745619 /nfs/dbraw/zinc/74/56/19/650745619.db2.gz UKODRMBYCCUKFM-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)C2CCC2)c([O-])c1 ZINC000850349881 642676629 /nfs/dbraw/zinc/67/66/29/642676629.db2.gz LBQVXBXMZYHYEZ-CQSZACIVSA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([O-])c1 ZINC000850389070 642696620 /nfs/dbraw/zinc/69/66/20/642696620.db2.gz SRWNVKUOLNINIY-GJZGRUSLSA-N 0 3 277.364 2.184 20 10 CECDHN OC1CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 ZINC000850406872 642702416 /nfs/dbraw/zinc/70/24/16/642702416.db2.gz XMVBVFQAYJOKSQ-UHFFFAOYSA-N 0 3 278.371 2.239 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000877543733 650779068 /nfs/dbraw/zinc/77/90/68/650779068.db2.gz FXWJYBKSBLVQDB-CYBMUJFWSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000877543733 650779070 /nfs/dbraw/zinc/77/90/70/650779070.db2.gz FXWJYBKSBLVQDB-CYBMUJFWSA-N 0 3 257.337 2.344 20 10 CECDHN C[C@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850495682 642731827 /nfs/dbraw/zinc/73/18/27/642731827.db2.gz HFRMVJJJXVXNOC-UGZDLDLSSA-N 0 3 295.326 2.354 20 10 CECDHN COC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CCOCC1 ZINC000850493880 642732004 /nfs/dbraw/zinc/73/20/04/642732004.db2.gz KWKQGCLWDQAQRZ-LSDHHAIUSA-N 0 3 291.391 2.411 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499710 642732826 /nfs/dbraw/zinc/73/28/26/642732826.db2.gz VUHAXVKXIJVWJF-HOTUBEGUSA-N 0 3 276.315 2.479 20 10 CECDHN OC1CCN(c2ccc(CN3CC4(CC4)C3)cc2)CC1 ZINC000877556455 650787076 /nfs/dbraw/zinc/78/70/76/650787076.db2.gz RIKAZHFMGJKZHZ-UHFFFAOYSA-N 0 3 272.392 2.244 20 10 CECDHN CN(Cc1cccc(C(N)=O)c1)Cc1ccccc1O ZINC000109771486 642925120 /nfs/dbraw/zinc/92/51/20/642925120.db2.gz HACPSMXPXLNZFO-UHFFFAOYSA-N 0 3 270.332 2.123 20 10 CECDHN CON1CCC([N@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC000877579162 650798140 /nfs/dbraw/zinc/79/81/40/650798140.db2.gz NEGABCNVLQRHQS-UHFFFAOYSA-N 0 3 264.369 2.158 20 10 CECDHN CON1CCC([N@@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC000877579162 650798141 /nfs/dbraw/zinc/79/81/41/650798141.db2.gz NEGABCNVLQRHQS-UHFFFAOYSA-N 0 3 264.369 2.158 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnn(CCF)c2)c1 ZINC000922217253 642963557 /nfs/dbraw/zinc/96/35/57/642963557.db2.gz NITBELPKZHQVAN-NSHDSACASA-N 0 3 293.342 2.418 20 10 CECDHN Cc1ccc(C[NH+]2CCC(Cn3cnnc3)CC2)c([O-])c1 ZINC000877612434 650813833 /nfs/dbraw/zinc/81/38/33/650813833.db2.gz ISOCSIDPGWQBNC-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000877636211 650826579 /nfs/dbraw/zinc/82/65/79/650826579.db2.gz QGMWIBPERBQZAH-HNNXBMFYSA-N 0 3 290.407 2.044 20 10 CECDHN Oc1ccc(F)cc1CN1CC2(C1)CCCOC2 ZINC000839137214 644171080 /nfs/dbraw/zinc/17/10/80/644171080.db2.gz AGTLTYIGUZUJNK-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755642 650898848 /nfs/dbraw/zinc/89/88/48/650898848.db2.gz JNEJWZZLYUNATF-JHJVBQTASA-N 0 3 276.380 2.490 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877797367 650913688 /nfs/dbraw/zinc/91/36/88/650913688.db2.gz UPDORBIBUVAWCA-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877797367 650913691 /nfs/dbraw/zinc/91/36/91/650913691.db2.gz UPDORBIBUVAWCA-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN CC(C)C(=O)NCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756371652 644637245 /nfs/dbraw/zinc/63/72/45/644637245.db2.gz MIGASMHWYMTHJX-CMPLNLGQSA-N 0 3 294.370 2.441 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000756565204 644668650 /nfs/dbraw/zinc/66/86/50/644668650.db2.gz WUVQCBNLKACSKZ-VXGBXAGGSA-N 0 3 283.343 2.235 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NCc2ccnc(N(C)C)n2)c1 ZINC000756787968 644692515 /nfs/dbraw/zinc/69/25/15/644692515.db2.gz ACXHHMRONNFFDE-GFCCVEGCSA-N 0 3 286.379 2.407 20 10 CECDHN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000757919997 644857393 /nfs/dbraw/zinc/85/73/93/644857393.db2.gz OEYPFFVGKIBKBU-AWEZNQCLSA-N 0 3 269.316 2.353 20 10 CECDHN COC[C@](C)(CC(=O)OC)NCc1ccc(OC)c(C)c1 ZINC000757926798 644858047 /nfs/dbraw/zinc/85/80/47/644858047.db2.gz OTCRPUFEVXPALZ-INIZCTEOSA-N 0 3 295.379 2.061 20 10 CECDHN [NH3+][C@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000857226166 644858558 /nfs/dbraw/zinc/85/85/58/644858558.db2.gz GSDKSPAWYWWTLU-FZMZJTMJSA-N 0 3 266.772 2.359 20 10 CECDHN Cc1ccc([C@@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1C ZINC000858435145 645158208 /nfs/dbraw/zinc/15/82/08/645158208.db2.gz XCFXLWMBDDBVHC-OCCSQVGLSA-N 0 3 289.379 2.127 20 10 CECDHN CC[C@H](N[C@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435139 645158835 /nfs/dbraw/zinc/15/88/35/645158835.db2.gz WZJSMKNUUHLJHB-UONOGXRCSA-N 0 3 289.379 2.208 20 10 CECDHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000858592078 645216151 /nfs/dbraw/zinc/21/61/51/645216151.db2.gz RRBQYGRCOYENIR-IUPBHXKESA-N 0 3 289.335 2.264 20 10 CECDHN Cc1noc([C@H]2OCC[C@H]2[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000858592077 645216311 /nfs/dbraw/zinc/21/63/11/645216311.db2.gz RRBQYGRCOYENIR-BHYNMZESSA-N 0 3 289.335 2.264 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000763482289 645549626 /nfs/dbraw/zinc/54/96/26/645549626.db2.gz YJIHFSDWIZIKHC-ZDUSSCGKSA-N 0 3 273.307 2.494 20 10 CECDHN CCOc1ccc(O)c(CN(CC(N)=O)C2CCCC2)c1 ZINC000768257132 646100710 /nfs/dbraw/zinc/10/07/10/646100710.db2.gz HQNAUGHZXLWDEZ-UHFFFAOYSA-N 0 3 292.379 2.021 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)S1 ZINC000768465238 646128610 /nfs/dbraw/zinc/12/86/10/646128610.db2.gz DJTZYHQLFUYBAI-RBZYPMLTSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H](C)S1 ZINC000768465238 646128613 /nfs/dbraw/zinc/12/86/13/646128613.db2.gz DJTZYHQLFUYBAI-RBZYPMLTSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1O ZINC000775130646 646926185 /nfs/dbraw/zinc/92/61/85/646926185.db2.gz NPBPFTHKUUMYJL-GFCCVEGCSA-N 0 3 295.342 2.251 20 10 CECDHN C[C@@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1[O-] ZINC000775130646 646926186 /nfs/dbraw/zinc/92/61/86/646926186.db2.gz NPBPFTHKUUMYJL-GFCCVEGCSA-N 0 3 295.342 2.251 20 10 CECDHN COC(=O)CC1([NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000779112350 647288686 /nfs/dbraw/zinc/28/86/86/647288686.db2.gz NEJHHPSFOMNQSD-UHFFFAOYSA-N 0 3 267.300 2.107 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(OC)CCC2)c([O-])c1 ZINC000779984860 647378150 /nfs/dbraw/zinc/37/81/50/647378150.db2.gz LAQQFSNTVHFURH-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000865690538 647424173 /nfs/dbraw/zinc/42/41/73/647424173.db2.gz IGEQTWHKFLMWPM-HOSYDEDBSA-N 0 3 251.326 2.056 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)OC ZINC000865755979 647453483 /nfs/dbraw/zinc/45/34/83/647453483.db2.gz UKHWXAJXWDBQKN-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)C[C@@H](C)O)c([O-])c1 ZINC000865872360 647514738 /nfs/dbraw/zinc/51/47/38/647514738.db2.gz LCKYHJAPORBJLT-DGCLKSJQSA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000783728979 647752552 /nfs/dbraw/zinc/75/25/52/647752552.db2.gz KMVPGXPXNWFCDZ-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000783728979 647752556 /nfs/dbraw/zinc/75/25/56/647752556.db2.gz KMVPGXPXNWFCDZ-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCCCO)c2c1c(F)ccc2[O-] ZINC000786939684 648057979 /nfs/dbraw/zinc/05/79/79/648057979.db2.gz DZEFLXKQHLYTJX-MWLCHTKSSA-N 0 3 253.317 2.442 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000793245916 648729233 /nfs/dbraw/zinc/72/92/33/648729233.db2.gz DAWRMCQTXGWQQM-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000793245916 648729236 /nfs/dbraw/zinc/72/92/36/648729236.db2.gz DAWRMCQTXGWQQM-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000879648104 651334992 /nfs/dbraw/zinc/33/49/92/651334992.db2.gz YMUBGQLQYIXVEP-QWHCGFSZSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1[O-] ZINC000879649772 651335403 /nfs/dbraw/zinc/33/54/03/651335403.db2.gz GTLCKECKKZMDSG-IAQYHMDHSA-N 0 3 258.321 2.171 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000879648529 651335451 /nfs/dbraw/zinc/33/54/51/651335451.db2.gz SHSDWQBLHVSEES-LLVKDONJSA-N 0 3 288.391 2.348 20 10 CECDHN C[C@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879650173 651335659 /nfs/dbraw/zinc/33/56/59/651335659.db2.gz NCICXCDKOFQFGR-MJBXVCDLSA-N 0 3 278.396 2.152 20 10 CECDHN CC[C@@H](N)c1cn(Cc2ccc(N(C)C)c(C)c2)nn1 ZINC000881377199 651702165 /nfs/dbraw/zinc/70/21/65/651702165.db2.gz IGQOQGUDNXKJSV-CYBMUJFWSA-N 0 3 273.384 2.111 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)CC2 ZINC000883276176 652421284 /nfs/dbraw/zinc/42/12/84/652421284.db2.gz HDFGNWVTHYNBPT-HIFRSBDPSA-N 0 3 287.359 2.413 20 10 CECDHN CC[C@@H](C)[C@H](N)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000037807404 802511561 /nfs/dbraw/zinc/51/15/61/802511561.db2.gz VFSGQGRCUZGBJT-CJNGLKHVSA-N 0 3 291.439 2.475 20 10 CECDHN C[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)c1ccccc1[O-] ZINC000690724251 802880811 /nfs/dbraw/zinc/88/08/11/802880811.db2.gz DQSFWHOYFDLCGS-BXKDBHETSA-N 0 3 257.280 2.467 20 10 CECDHN CCS(=O)(=O)C1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000693518305 803019012 /nfs/dbraw/zinc/01/90/12/803019012.db2.gz YUIPZUQGVKLPJY-LLVKDONJSA-N 0 3 283.393 2.010 20 10 CECDHN COC[C@H](CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000694314621 803530661 /nfs/dbraw/zinc/53/06/61/803530661.db2.gz YUGPHVOOLIYGMD-STQMWFEESA-N 0 3 267.369 2.403 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031721 803669065 /nfs/dbraw/zinc/66/90/65/803669065.db2.gz ITFIEMNSPIJUTD-RYUDHWBXSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031721 803669069 /nfs/dbraw/zinc/66/90/69/803669069.db2.gz ITFIEMNSPIJUTD-RYUDHWBXSA-N 0 3 295.379 2.002 20 10 CECDHN CCN(CC)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037126690 815012034 /nfs/dbraw/zinc/01/20/34/815012034.db2.gz IIXJBYKTXVYSRF-RYUDHWBXSA-N 0 3 264.369 2.300 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2n[nH]cc2C)c1 ZINC000716484104 815132050 /nfs/dbraw/zinc/13/20/50/815132050.db2.gz SLYFIRPSEYVFGU-JTQLQIEISA-N 0 3 261.325 2.283 20 10 CECDHN CN(CC[NH+](C)C)Cc1c([O-])cccc1Br ZINC000707142991 809878260 /nfs/dbraw/zinc/87/82/60/809878260.db2.gz QVAUWOOBELNOQV-UHFFFAOYSA-N 0 3 287.201 2.148 20 10 CECDHN CC[NH+](CC)CCCNCc1cc(F)cc(F)c1[O-] ZINC000708516326 809943829 /nfs/dbraw/zinc/94/38/29/809943829.db2.gz HBFIGIIEFFXXMP-UHFFFAOYSA-N 0 3 272.339 2.492 20 10 CECDHN C[C@@H](CC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[NH2+]C1 ZINC001122258020 815396920 /nfs/dbraw/zinc/39/69/20/815396920.db2.gz HXLJJWYWAKQJIB-RYUDHWBXSA-N 0 3 294.370 2.173 20 10 CECDHN C[C@H]1[NH2+]CCN(Cc2cc(Br)ccc2[O-])[C@H]1C ZINC000379503409 811051364 /nfs/dbraw/zinc/05/13/64/811051364.db2.gz YJPVVQOTXFBZKE-ZJUUUORDSA-N 0 3 299.212 2.337 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@H](O)C2)c1O ZINC000388201523 813230646 /nfs/dbraw/zinc/23/06/46/813230646.db2.gz SETBJLIDWUZGBW-AMIZOPFISA-N 0 3 283.755 2.061 20 10 CECDHN C[C@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000397848863 813642819 /nfs/dbraw/zinc/64/28/19/813642819.db2.gz GHRNNDBUCIBZBD-JTQLQIEISA-N 0 3 252.333 2.276 20 10 CECDHN C[C@H](N[C@@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673899 814875495 /nfs/dbraw/zinc/87/54/95/814875495.db2.gz QICMWGHIJBCKBL-BLLLJJGKSA-N 0 3 287.407 2.167 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173755012 815810989 /nfs/dbraw/zinc/81/09/89/815810989.db2.gz FWZNBLHHGMSPSS-AGIUHOORSA-N 0 3 287.367 2.213 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173755016 815811140 /nfs/dbraw/zinc/81/11/40/815811140.db2.gz FWZNBLHHGMSPSS-UPJWGTAASA-N 0 3 287.367 2.213 20 10 CECDHN Cc1ccc(C)c(CN(C)C2CCS(=O)(=O)CC2)c1O ZINC001140184560 816206298 /nfs/dbraw/zinc/20/62/98/816206298.db2.gz ZLURYNZEXQGWTI-UHFFFAOYSA-N 0 3 297.420 2.018 20 10 CECDHN CCOC(=O)CC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001140950832 816424374 /nfs/dbraw/zinc/42/43/74/816424374.db2.gz KDZSSNGEPDMTQP-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CCOC(=O)CC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001140950832 816424378 /nfs/dbraw/zinc/42/43/78/816424378.db2.gz KDZSSNGEPDMTQP-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)c(OC)c1 ZINC001141027290 816449176 /nfs/dbraw/zinc/44/91/76/816449176.db2.gz SYIXUEONFDDZCH-SNVBAGLBSA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C)c(OC)c1 ZINC001141027290 816449177 /nfs/dbraw/zinc/44/91/77/816449177.db2.gz SYIXUEONFDDZCH-SNVBAGLBSA-N 0 3 251.326 2.394 20 10 CECDHN C[C@@]1(C[NH3+])CCC[N@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001206317812 816692353 /nfs/dbraw/zinc/69/23/53/816692353.db2.gz IUTUOXBKSHNODG-MRXNPFEDSA-N 0 3 292.379 2.041 20 10 CECDHN C[C@@]1(C[NH3+])CCC[N@@H+](Cc2cc(C(=O)[O-])ccc2[O-])CC1 ZINC001206317812 816692356 /nfs/dbraw/zinc/69/23/56/816692356.db2.gz IUTUOXBKSHNODG-MRXNPFEDSA-N 0 3 292.379 2.041 20 10 CECDHN CCN1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000083393102 178399981 /nfs/dbraw/zinc/39/99/81/178399981.db2.gz LZHICAKBMLDJSN-CYBMUJFWSA-N 0 3 252.333 2.105 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000294114735 344693566 /nfs/dbraw/zinc/69/35/66/344693566.db2.gz KGTVHSHGIAJMOB-ZDUSSCGKSA-N 0 3 281.396 2.447 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCOCC(F)(F)F)c1 ZINC000104435350 186001389 /nfs/dbraw/zinc/00/13/89/186001389.db2.gz JBLGBZLRJZHPAQ-UHFFFAOYSA-N 0 3 279.258 2.069 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134244008 366303204 /nfs/dbraw/zinc/30/32/04/366303204.db2.gz BPCQPYGYXPKMLB-OPQQBVKSSA-N 0 3 251.326 2.229 20 10 CECDHN CCCN(CC(=O)N(C)C1CC1)Cc1ccccc1O ZINC000112979390 364861154 /nfs/dbraw/zinc/86/11/54/364861154.db2.gz KRMHAVUAJJPHMV-UHFFFAOYSA-N 0 3 276.380 2.225 20 10 CECDHN CCOC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000113922793 364917464 /nfs/dbraw/zinc/91/74/64/364917464.db2.gz ZMPXYXFXLPNLPJ-GFCCVEGCSA-N 0 3 293.363 2.369 20 10 CECDHN CCOC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000113922793 364917467 /nfs/dbraw/zinc/91/74/67/364917467.db2.gz ZMPXYXFXLPNLPJ-GFCCVEGCSA-N 0 3 293.363 2.369 20 10 CECDHN COc1ccc(CNCc2cccc(OC)c2O)cc1O ZINC000171134431 367484115 /nfs/dbraw/zinc/48/41/15/367484115.db2.gz QVEKYCUTDZIYHV-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245854369 370880159 /nfs/dbraw/zinc/88/01/59/370880159.db2.gz NDCJJSOAEMAPBU-BLLLJJGKSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@H]3C2)c1 ZINC000245854369 370880166 /nfs/dbraw/zinc/88/01/66/370880166.db2.gz NDCJJSOAEMAPBU-BLLLJJGKSA-N 0 3 277.364 2.402 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180058114 368366849 /nfs/dbraw/zinc/36/68/49/368366849.db2.gz FWDHJVPPBKKMON-NSHDSACASA-N 0 3 281.327 2.116 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000180058114 368366855 /nfs/dbraw/zinc/36/68/55/368366855.db2.gz FWDHJVPPBKKMON-NSHDSACASA-N 0 3 281.327 2.116 20 10 CECDHN CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000179635130 368344870 /nfs/dbraw/zinc/34/48/70/368344870.db2.gz DWGIFAQGVQBDHA-UHFFFAOYSA-N 0 3 296.798 2.312 20 10 CECDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180427892 368381463 /nfs/dbraw/zinc/38/14/63/368381463.db2.gz MYAHBZVLZZHNHI-NSHDSACASA-N 0 3 277.343 2.462 20 10 CECDHN CCn1cc([C@H](C)NCc2cc(OC)ccc2O)cn1 ZINC000180896754 368401164 /nfs/dbraw/zinc/40/11/64/368401164.db2.gz KMUWZUGOUBXIOM-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000185361791 368797420 /nfs/dbraw/zinc/79/74/20/368797420.db2.gz HYKQSQPOHCSSIV-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN CCN(C)C(=O)CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000186811905 369048961 /nfs/dbraw/zinc/04/89/61/369048961.db2.gz DCOYOCCLXPECAV-LBPRGKRZSA-N 0 3 290.407 2.400 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000189005738 369441515 /nfs/dbraw/zinc/44/15/15/369441515.db2.gz RCBPVKKTCPCSON-OLZOCXBDSA-N 0 3 277.412 2.270 20 10 CECDHN CC[C@H](c1ccccc1O)N1CC[C@@](F)(C(=O)OC)C1 ZINC000364637122 372780163 /nfs/dbraw/zinc/78/01/63/372780163.db2.gz OCEKWNKVRAOSGA-DOMZBBRYSA-N 0 3 281.327 2.430 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H]3OCC[C@H]32)cc1OC ZINC000366263277 373017889 /nfs/dbraw/zinc/01/78/89/373017889.db2.gz CDQVEBAYZAHSNT-TZMCWYRMSA-N 0 3 293.363 2.163 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1 ZINC000271063428 373101791 /nfs/dbraw/zinc/10/17/91/373101791.db2.gz HSJNZLNIGBOAIS-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367325509 373148712 /nfs/dbraw/zinc/14/87/12/373148712.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 0 3 260.381 2.337 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000367325509 373148724 /nfs/dbraw/zinc/14/87/24/373148724.db2.gz DBYNRHLSGRRGKJ-GUTXKFCHSA-N 0 3 260.381 2.337 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271261154 373185388 /nfs/dbraw/zinc/18/53/88/373185388.db2.gz IPYIJNQLLIDNJM-PWSUYJOCSA-N 0 3 275.270 2.280 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000271261154 373185392 /nfs/dbraw/zinc/18/53/92/373185392.db2.gz IPYIJNQLLIDNJM-PWSUYJOCSA-N 0 3 275.270 2.280 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000368809973 373264110 /nfs/dbraw/zinc/26/41/10/373264110.db2.gz LJOHCGPUAWKVGK-HOCLYGCPSA-N 0 3 277.364 2.335 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000368809973 373264117 /nfs/dbraw/zinc/26/41/17/373264117.db2.gz LJOHCGPUAWKVGK-HOCLYGCPSA-N 0 3 277.364 2.335 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCCCO)c1 ZINC000272368019 373451213 /nfs/dbraw/zinc/45/12/13/373451213.db2.gz GDRSWZMBSMGAFZ-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)CCc2cnccn2)c1 ZINC000273786476 373770483 /nfs/dbraw/zinc/77/04/83/373770483.db2.gz UJRVILFPIODPFX-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)CCc2cnccn2)c1 ZINC000273786476 373770492 /nfs/dbraw/zinc/77/04/92/373770492.db2.gz UJRVILFPIODPFX-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1ccc(O)c(CN(C)CCc2cnccn2)c1 ZINC000273786476 373770501 /nfs/dbraw/zinc/77/05/01/373770501.db2.gz UJRVILFPIODPFX-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000273445328 373756826 /nfs/dbraw/zinc/75/68/26/373756826.db2.gz DYDTXPZDFPWZFA-WCQYABFASA-N 0 3 299.436 2.483 20 10 CECDHN COC(=O)N1CC(N[C@@H](C)c2ccc(C)c(C)c2O)C1 ZINC000273451671 373758027 /nfs/dbraw/zinc/75/80/27/373758027.db2.gz GCNBCKBQUMPLDN-NSHDSACASA-N 0 3 278.352 2.110 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)c([O-])c1C ZINC000273470131 373760512 /nfs/dbraw/zinc/76/05/12/373760512.db2.gz RVMIBZZQFYSYDF-KWFDTGPKSA-N 0 3 269.410 2.427 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1C ZINC000273530776 373762428 /nfs/dbraw/zinc/76/24/28/373762428.db2.gz WEKUWDGFIOACTD-CJNGLKHVSA-N 0 3 293.407 2.447 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c([O-])c1 ZINC000273529599 373762477 /nfs/dbraw/zinc/76/24/77/373762477.db2.gz WANXKJKSXCRVFW-CHWSQXEVSA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1C ZINC000273536984 373763000 /nfs/dbraw/zinc/76/30/00/373763000.db2.gz XOXOSNYEHHOLCD-GFCCVEGCSA-N 0 3 265.353 2.423 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cc(C)nn2C)c1 ZINC000284182520 375824754 /nfs/dbraw/zinc/82/47/54/375824754.db2.gz FVYNLAFWPXXCOX-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284277543 375825798 /nfs/dbraw/zinc/82/57/98/375825798.db2.gz XGABCKVNMXJGBC-CZUORRHYSA-N 0 3 281.396 2.447 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284206266 375825951 /nfs/dbraw/zinc/82/59/51/375825951.db2.gz SLLXVSRWVLYHJM-HUUCEWRRSA-N 0 3 292.423 2.380 20 10 CECDHN CCS(=O)(=O)CCN[C@H](C)c1c(C)cc(C)cc1O ZINC000284221933 375826573 /nfs/dbraw/zinc/82/65/73/375826573.db2.gz UCJBGROARSAXLN-GFCCVEGCSA-N 0 3 285.409 2.094 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1 ZINC000285065103 375834760 /nfs/dbraw/zinc/83/47/60/375834760.db2.gz JAKZGVQRAMKWPX-CYBMUJFWSA-N 0 3 278.396 2.432 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1OC ZINC000285235899 375836323 /nfs/dbraw/zinc/83/63/23/375836323.db2.gz ZAZNQWPJEVBOJM-TXEJJXNPSA-N 0 3 281.352 2.019 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)cc1OC ZINC000285235899 375836327 /nfs/dbraw/zinc/83/63/27/375836327.db2.gz ZAZNQWPJEVBOJM-TXEJJXNPSA-N 0 3 281.352 2.019 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000286334440 375917691 /nfs/dbraw/zinc/91/76/91/375917691.db2.gz YBETXTIWWOIRLE-HIFRSBDPSA-N 0 3 296.386 2.029 20 10 CECDHN C[C@@H]([NH2+]CCN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000287049824 376138596 /nfs/dbraw/zinc/13/85/96/376138596.db2.gz MVEKDQBMSXEFPC-GFCCVEGCSA-N 0 3 262.397 2.483 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCC2(O)CCOCC2)c1[O-] ZINC000289373225 376393299 /nfs/dbraw/zinc/39/32/99/376393299.db2.gz LSJNHBYLMNMBBJ-UHFFFAOYSA-N 0 3 299.798 2.375 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000295150694 378044737 /nfs/dbraw/zinc/04/47/37/378044737.db2.gz RAXSXQLSJMECLF-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295826686 378321292 /nfs/dbraw/zinc/32/12/92/378321292.db2.gz DRWLZKHQSCXZQI-WCQYABFASA-N 0 3 276.380 2.274 20 10 CECDHN C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(F)ccc1[O-] ZINC000296500253 378552820 /nfs/dbraw/zinc/55/28/20/378552820.db2.gz PAULLJUNIYTUPK-UMNHJUIQSA-N 0 3 253.317 2.343 20 10 CECDHN NC(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297651859 378688428 /nfs/dbraw/zinc/68/84/28/378688428.db2.gz KFWKSASYKRPRHY-GFCCVEGCSA-N 0 3 274.364 2.015 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051991912 394557348 /nfs/dbraw/zinc/55/73/48/394557348.db2.gz LDEBEVOUTOHZAM-ZBINZKHDSA-N 0 3 265.353 2.355 20 10 CECDHN COC[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000278928502 394838068 /nfs/dbraw/zinc/83/80/68/394838068.db2.gz USMWMBXFYMTMCR-HOCLYGCPSA-N 0 3 296.386 2.175 20 10 CECDHN CCN1CC[C@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124713950 394840160 /nfs/dbraw/zinc/84/01/60/394840160.db2.gz GGILFOQDZPNFER-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000132108585 394925451 /nfs/dbraw/zinc/92/54/51/394925451.db2.gz FPVNSADWQZDMAU-QGZVFWFLSA-N 0 3 269.344 2.316 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(C(C)=O)CC1 ZINC000133278264 394948090 /nfs/dbraw/zinc/94/80/90/394948090.db2.gz ORLPHILAWISXDT-HNNXBMFYSA-N 0 3 276.380 2.398 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(C(C)=O)CC1 ZINC000133278264 394948091 /nfs/dbraw/zinc/94/80/91/394948091.db2.gz ORLPHILAWISXDT-HNNXBMFYSA-N 0 3 276.380 2.398 20 10 CECDHN CSC[C@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372922652 395049544 /nfs/dbraw/zinc/04/95/44/395049544.db2.gz JCCLMZVOXZUCNA-MRXNPFEDSA-N 0 3 292.448 2.176 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)c1 ZINC000168840076 395089018 /nfs/dbraw/zinc/08/90/18/395089018.db2.gz RCYJNUVGLHCXJD-RMDKCXRXSA-N 0 3 285.409 2.209 20 10 CECDHN COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000182211173 395237998 /nfs/dbraw/zinc/23/79/98/395237998.db2.gz TXJUGXQBSNDNRX-AWEZNQCLSA-N 0 3 287.787 2.231 20 10 CECDHN C[C@@H](NCC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000179571912 395196804 /nfs/dbraw/zinc/19/68/04/395196804.db2.gz HAPPCHDEVCPGGU-GFCCVEGCSA-N 0 3 264.369 2.166 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183270670 395254842 /nfs/dbraw/zinc/25/48/42/395254842.db2.gz WOIJBBVNOAHWCJ-UHFFFAOYSA-N 0 3 295.354 2.160 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000183270670 395254845 /nfs/dbraw/zinc/25/48/45/395254845.db2.gz WOIJBBVNOAHWCJ-UHFFFAOYSA-N 0 3 295.354 2.160 20 10 CECDHN C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183549403 395258835 /nfs/dbraw/zinc/25/88/35/395258835.db2.gz BVFLYUICUUKWGM-RWMBFGLXSA-N 0 3 265.353 2.237 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1ccnn1C ZINC000192246856 395378608 /nfs/dbraw/zinc/37/86/08/395378608.db2.gz LYSNYTHIHGDULQ-GFCCVEGCSA-N 0 3 258.369 2.337 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C(C)C)c1 ZINC000035628801 172308276 /nfs/dbraw/zinc/30/82/76/172308276.db2.gz SDSCJOSJQOPRQU-GFCCVEGCSA-N 0 3 264.369 2.123 20 10 CECDHN COc1cccc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1[O-] ZINC000037167101 260072168 /nfs/dbraw/zinc/07/21/68/260072168.db2.gz KERCFGGGLRVXAL-AWEZNQCLSA-N 0 3 280.412 2.467 20 10 CECDHN O=C(CCNCc1ccc2c(c1)CCO2)N1CCCCC1 ZINC000077329431 260166895 /nfs/dbraw/zinc/16/68/95/260166895.db2.gz HGFWQNZTSCPRPC-UHFFFAOYSA-N 0 3 288.391 2.114 20 10 CECDHN C[C@H](C(=O)NCCc1ccc(N)cc1)N1CCCCCC1 ZINC000152501576 261065036 /nfs/dbraw/zinc/06/50/36/261065036.db2.gz ZLKHZCOMTBSRKS-CQSZACIVSA-N 0 3 289.423 2.192 20 10 CECDHN CCOCCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161907079 261263055 /nfs/dbraw/zinc/26/30/55/261263055.db2.gz DJXVLNPYTUXVRP-ZDUSSCGKSA-N 0 3 296.386 2.349 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccco2)c([O-])c1 ZINC000184917263 262033188 /nfs/dbraw/zinc/03/31/88/262033188.db2.gz AISGQJBRFQBZKE-GFCCVEGCSA-N 0 3 288.347 2.374 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000363935500 262040529 /nfs/dbraw/zinc/04/05/29/262040529.db2.gz BPMCGOJUKIXVLT-CYBMUJFWSA-N 0 3 287.363 2.161 20 10 CECDHN C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(F)ccc1[O-] ZINC000185450188 262055542 /nfs/dbraw/zinc/05/55/42/262055542.db2.gz USKIPUSIAARWNK-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(F)ccc1[O-] ZINC000185639595 262063432 /nfs/dbraw/zinc/06/34/32/262063432.db2.gz MEQISNCSZHHUNA-RNCFNFMXSA-N 0 3 271.357 2.050 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186520252 262096262 /nfs/dbraw/zinc/09/62/62/262096262.db2.gz YTLTYINZTHCIDD-XMXMHJJKSA-N 0 3 265.353 2.379 20 10 CECDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCCN1 ZINC000195171570 262247754 /nfs/dbraw/zinc/24/77/54/262247754.db2.gz JTIAQAQFWZPCEJ-MRXNPFEDSA-N 0 3 287.407 2.045 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC1(C)C ZINC000368593354 267190335 /nfs/dbraw/zinc/19/03/35/267190335.db2.gz SNMZDGDYIZAIJR-GFCCVEGCSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC1(C)C ZINC000368593354 267190337 /nfs/dbraw/zinc/19/03/37/267190337.db2.gz SNMZDGDYIZAIJR-GFCCVEGCSA-N 0 3 281.327 2.162 20 10 CECDHN CN(C)c1ccc(CNCCNC(=O)OC(C)(C)C)cc1 ZINC000134522142 289408854 /nfs/dbraw/zinc/40/88/54/289408854.db2.gz CJCSIZPCBOBNGM-UHFFFAOYSA-N 0 3 293.411 2.367 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000278620807 293165498 /nfs/dbraw/zinc/16/54/98/293165498.db2.gz CFVMYACKCUKUTE-RIEGTJTDSA-N 0 3 283.343 2.376 20 10 CECDHN Cc1n[nH]cc1CCC[NH2+]Cc1cccc(C)c1[O-] ZINC000124695892 327988929 /nfs/dbraw/zinc/98/89/29/327988929.db2.gz FMAAJOPDQWPZGJ-UHFFFAOYSA-N 0 3 259.353 2.455 20 10 CECDHN COc1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cc1C ZINC000283800106 328245051 /nfs/dbraw/zinc/24/50/51/328245051.db2.gz AKDUUOJIWYCJEK-GOEBONIOSA-N 0 3 295.423 2.251 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000077204634 326922971 /nfs/dbraw/zinc/92/29/71/326922971.db2.gz VBCLNJXEGIFHHK-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN CCN(CC)c1ccc(CN2CCNC(=O)C[C@H]2C)cc1 ZINC000377889487 329033761 /nfs/dbraw/zinc/03/37/61/329033761.db2.gz OVKJCSPMJCQQBG-CQSZACIVSA-N 0 3 289.423 2.243 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378495757 329052976 /nfs/dbraw/zinc/05/29/76/329052976.db2.gz MMWUCACXCXZXRH-SNVBAGLBSA-N 0 3 276.315 2.029 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000378495757 329052978 /nfs/dbraw/zinc/05/29/78/329052978.db2.gz MMWUCACXCXZXRH-SNVBAGLBSA-N 0 3 276.315 2.029 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000180240130 329218948 /nfs/dbraw/zinc/21/89/48/329218948.db2.gz CGMWJCNNLMQWDB-AWEZNQCLSA-N 0 3 251.301 2.144 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000180240130 329218949 /nfs/dbraw/zinc/21/89/49/329218949.db2.gz CGMWJCNNLMQWDB-AWEZNQCLSA-N 0 3 251.301 2.144 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180285638 329219362 /nfs/dbraw/zinc/21/93/62/329219362.db2.gz ORLDJIXVRQODJR-GFCCVEGCSA-N 0 3 290.342 2.035 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000180285638 329219364 /nfs/dbraw/zinc/21/93/64/329219364.db2.gz ORLDJIXVRQODJR-GFCCVEGCSA-N 0 3 290.342 2.035 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc(C)c3O)[C@H]2C1 ZINC000180779174 329222998 /nfs/dbraw/zinc/22/29/98/329222998.db2.gz RUESITPTPINVBL-PMPSAXMXSA-N 0 3 291.391 2.469 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2(C)COC2)c1[O-] ZINC000228674102 329344257 /nfs/dbraw/zinc/34/42/57/329344257.db2.gz MHKANQUZTPMPFX-UHFFFAOYSA-N 0 3 271.744 2.180 20 10 CECDHN CC(C)(C[NH2+]Cc1ccccc1[O-])C(=O)N1CCCC1 ZINC000527810210 330284663 /nfs/dbraw/zinc/28/46/63/330284663.db2.gz MAERJZVLFWXJQY-UHFFFAOYSA-N 0 3 276.380 2.130 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860917 333124500 /nfs/dbraw/zinc/12/45/00/333124500.db2.gz QIBWTWMWYHNSLH-ZBFHGGJFSA-N 0 3 290.407 2.250 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860917 333124501 /nfs/dbraw/zinc/12/45/01/333124501.db2.gz QIBWTWMWYHNSLH-ZBFHGGJFSA-N 0 3 290.407 2.250 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1[O-] ZINC000230315195 333316269 /nfs/dbraw/zinc/31/62/69/333316269.db2.gz BNADWILIVRETDL-CZUORRHYSA-N 0 3 277.364 2.448 20 10 CECDHN c1cc(CN[C@@H]2CCO[C@H]2C2CC2)cc2c1OCC2 ZINC000230313468 333316358 /nfs/dbraw/zinc/31/63/58/333316358.db2.gz VFKUUJGRPVGDTJ-ZBFHGGJFSA-N 0 3 259.349 2.279 20 10 CECDHN CCC[C@@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000231383962 333324781 /nfs/dbraw/zinc/32/47/81/333324781.db2.gz XODOOUREIXQZEP-NSHDSACASA-N 0 3 281.352 2.009 20 10 CECDHN CCCOc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c([O-])c1 ZINC000246072221 334229552 /nfs/dbraw/zinc/22/95/52/334229552.db2.gz ZLPBHGBMTRLPAY-HNNXBMFYSA-N 0 3 290.407 2.461 20 10 CECDHN CCCOc1ccc(CN2CC[N@H+]3CCC[C@H]3C2)c([O-])c1 ZINC000246072221 334229553 /nfs/dbraw/zinc/22/95/53/334229553.db2.gz ZLPBHGBMTRLPAY-HNNXBMFYSA-N 0 3 290.407 2.461 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000252859851 334397561 /nfs/dbraw/zinc/39/75/61/334397561.db2.gz NQGOXUHSKGGMQA-HAQNSBGRSA-N 0 3 285.771 2.447 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC(C)(OC)CC2)c1 ZINC000272345375 334751990 /nfs/dbraw/zinc/75/19/90/334751990.db2.gz JAJFQWRQZKIJMF-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000113343729 518814138 /nfs/dbraw/zinc/81/41/38/518814138.db2.gz ZFRQKAUAGIWYJI-CYBMUJFWSA-N 0 3 292.379 2.491 20 10 CECDHN CC(=O)NC1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000264940630 519644974 /nfs/dbraw/zinc/64/49/74/519644974.db2.gz GADGGNHNFHWABX-UHFFFAOYSA-N 0 3 276.380 2.238 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293196515 521151347 /nfs/dbraw/zinc/15/13/47/521151347.db2.gz XKOASRBXMZAMJE-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CC)C(C)(C)O)c1 ZINC000292933338 521155402 /nfs/dbraw/zinc/15/54/02/521155402.db2.gz HCVQOBPZKSEOOX-CQSZACIVSA-N 0 3 267.369 2.430 20 10 CECDHN CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000094948704 522143598 /nfs/dbraw/zinc/14/35/98/522143598.db2.gz MPQOIBJNDFCXKU-NWDGAFQWSA-N 0 3 267.369 2.460 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617745 522153363 /nfs/dbraw/zinc/15/33/63/522153363.db2.gz AAVGUNQUIHHKLH-MNOVXSKESA-N 0 3 282.359 2.487 20 10 CECDHN CC[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(C)cc1[O-] ZINC000280941516 522566486 /nfs/dbraw/zinc/56/64/86/522566486.db2.gz SNBZNOJEXMUNFE-NSHDSACASA-N 0 3 286.322 2.123 20 10 CECDHN COC(=O)CCCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000289829131 522993487 /nfs/dbraw/zinc/99/34/87/522993487.db2.gz ONTGQPBBNDWLRJ-UHFFFAOYSA-N 0 3 281.352 2.224 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@@H]1C ZINC000188115620 523962370 /nfs/dbraw/zinc/96/23/70/523962370.db2.gz IIFVBKSXUCDAOR-BBRMVZONSA-N 0 3 290.407 2.384 20 10 CECDHN COCCOCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000044694216 524011424 /nfs/dbraw/zinc/01/14/24/524011424.db2.gz AFRSKFIYZANDOE-CYBMUJFWSA-N 0 3 266.385 2.066 20 10 CECDHN CN1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000263743810 524024935 /nfs/dbraw/zinc/02/49/35/524024935.db2.gz NYLOTYRUHXBQCE-MRXNPFEDSA-N 0 3 296.370 2.380 20 10 CECDHN C[C@H](CNC(=O)Cc1ccc(N)cc1)N1CCC(C)CC1 ZINC000236723713 524388373 /nfs/dbraw/zinc/38/83/73/524388373.db2.gz QXVRYPGWMXLATB-CQSZACIVSA-N 0 3 289.423 2.048 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CN2CCCCC2)c1 ZINC000037153257 524752677 /nfs/dbraw/zinc/75/26/77/524752677.db2.gz QMSMNZIMDWTLDX-ZDUSSCGKSA-N 0 3 278.396 2.365 20 10 CECDHN C[C@@H](NCc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000071333443 525546278 /nfs/dbraw/zinc/54/62/78/525546278.db2.gz VAXCAKJUCKYTQD-GFCCVEGCSA-N 0 3 258.369 2.337 20 10 CECDHN Cc1ccc([C@@H](O)CNCc2ccc3c(c2)CCO3)o1 ZINC000265959100 525779530 /nfs/dbraw/zinc/77/95/30/525779530.db2.gz ISLWYECGHIXLQF-AWEZNQCLSA-N 0 3 273.332 2.346 20 10 CECDHN COc1cccc(CN2CC[C@H](n3cccn3)C2)c1O ZINC000291202028 525950445 /nfs/dbraw/zinc/95/04/45/525950445.db2.gz HRTDIIVGKRZHRI-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291202028 525950451 /nfs/dbraw/zinc/95/04/51/525950451.db2.gz HRTDIIVGKRZHRI-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000291202028 525950458 /nfs/dbraw/zinc/95/04/58/525950458.db2.gz HRTDIIVGKRZHRI-ZDUSSCGKSA-N 0 3 273.336 2.044 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000289764702 526348922 /nfs/dbraw/zinc/34/89/22/526348922.db2.gz KEPHMJALRATBGV-OAHLLOKOSA-N 0 3 275.323 2.225 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000131148326 526373609 /nfs/dbraw/zinc/37/36/09/526373609.db2.gz YNIFQIIJFZYYJI-LLVKDONJSA-N 0 3 255.408 2.330 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000761215280 574520060 /nfs/dbraw/zinc/52/00/60/574520060.db2.gz JAVJZCZYDIUXHE-LLVKDONJSA-N 0 3 298.814 2.486 20 10 CECDHN COC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000751950144 575302305 /nfs/dbraw/zinc/30/23/05/575302305.db2.gz PMLWEMGCAXHVPR-OAHLLOKOSA-N 0 3 261.365 2.492 20 10 CECDHN COC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000751950144 575302306 /nfs/dbraw/zinc/30/23/06/575302306.db2.gz PMLWEMGCAXHVPR-OAHLLOKOSA-N 0 3 261.365 2.492 20 10 CECDHN CCCC[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731871468 574604419 /nfs/dbraw/zinc/60/44/19/574604419.db2.gz MCFGPAPINZRXDG-UHFFFAOYSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)C[NH+]1CCCCC1 ZINC000731870623 574604498 /nfs/dbraw/zinc/60/44/98/574604498.db2.gz LAOBVFBADVRWIR-LLVKDONJSA-N 0 3 282.409 2.306 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000732821018 574632247 /nfs/dbraw/zinc/63/22/47/574632247.db2.gz UDPLPNPRUQIOJJ-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000734841325 574731358 /nfs/dbraw/zinc/73/13/58/574731358.db2.gz MBCFOBRPYMWWDD-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742383097 575019015 /nfs/dbraw/zinc/01/90/15/575019015.db2.gz SRALPTCUAXQEMP-GFCCVEGCSA-N 0 3 293.367 2.056 20 10 CECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@@H](C)S1 ZINC000743373870 575051427 /nfs/dbraw/zinc/05/14/27/575051427.db2.gz DIURSCVAGUGVHP-NXEZZACHSA-N 0 3 281.377 2.447 20 10 CECDHN CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743783013 575109509 /nfs/dbraw/zinc/10/95/09/575109509.db2.gz MNAZSJLNSICIKC-LLVKDONJSA-N 0 3 282.409 2.258 20 10 CECDHN CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743783013 575109510 /nfs/dbraw/zinc/10/95/10/575109510.db2.gz MNAZSJLNSICIKC-LLVKDONJSA-N 0 3 282.409 2.258 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000747098891 575167173 /nfs/dbraw/zinc/16/71/73/575167173.db2.gz CXDKJKRAWJDGEI-GFCCVEGCSA-N 0 3 277.320 2.207 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000753374249 575324940 /nfs/dbraw/zinc/32/49/40/575324940.db2.gz RMNXYMPLMLASPT-KGLIPLIRSA-N 0 3 265.353 2.304 20 10 CECDHN Cc1cc(N)nc(NCc2ccc(N(C)C)cc2)n1 ZINC000891579445 623800226 /nfs/dbraw/zinc/80/02/26/623800226.db2.gz YTHBXYFKPHQVOU-UHFFFAOYSA-N 0 3 257.341 2.045 20 10 CECDHN C[NH2+]C[C@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000050158914 624602821 /nfs/dbraw/zinc/60/28/21/624602821.db2.gz GTOXGQXEDFOMNT-GFCCVEGCSA-N 0 3 294.370 2.165 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCCn1ccnc1C ZINC000725846453 625762479 /nfs/dbraw/zinc/76/24/79/625762479.db2.gz FKPYFESAUWOEGU-UHFFFAOYSA-N 0 3 275.352 2.086 20 10 CECDHN Cc1cc(N)nc(NCc2ccc(N(C)C)cc2C)n1 ZINC000892564370 627274102 /nfs/dbraw/zinc/27/41/02/627274102.db2.gz SABOZBDXCJUOKI-UHFFFAOYSA-N 0 3 271.368 2.354 20 10 CECDHN COCCOCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000312845243 628545674 /nfs/dbraw/zinc/54/56/74/628545674.db2.gz PPPQSWQLZGOCHS-CQSZACIVSA-N 0 3 279.380 2.412 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCc2cn(C)cn2)c([O-])c1 ZINC000313268397 628585621 /nfs/dbraw/zinc/58/56/21/628585621.db2.gz LVEURHFYIRZCSW-LBPRGKRZSA-N 0 3 259.353 2.327 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000840964409 628925208 /nfs/dbraw/zinc/92/52/08/628925208.db2.gz RYHODUVXCVJQNV-UTUOFQBUSA-N 0 3 265.353 2.304 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794807784 629326272 /nfs/dbraw/zinc/32/62/72/629326272.db2.gz LQWXMJLZNMHVRR-GDBMZVCRSA-N 0 3 292.423 2.462 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798525 629646802 /nfs/dbraw/zinc/64/68/02/629646802.db2.gz FENKRFDBADRKGY-OAHLLOKOSA-N 0 3 281.352 2.034 20 10 CECDHN COc1ccc(CN2CC3(C2)CCOCC3)c(O)c1OC ZINC000894831070 629669869 /nfs/dbraw/zinc/66/98/69/629669869.db2.gz XMWOFAGEJJVGKT-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN CC1=NO[C@@H](CNCc2ccc(N(C)C)c(F)c2)C1 ZINC000895308592 630097162 /nfs/dbraw/zinc/09/71/62/630097162.db2.gz NQCUBYBQWOTUCE-GFCCVEGCSA-N 0 3 265.332 2.146 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845120 630368344 /nfs/dbraw/zinc/36/83/44/630368344.db2.gz NFOVRPMKYOBSAB-IUODEOHRSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895845120 630368348 /nfs/dbraw/zinc/36/83/48/630368348.db2.gz NFOVRPMKYOBSAB-IUODEOHRSA-N 0 3 277.364 2.402 20 10 CECDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000895853829 630377733 /nfs/dbraw/zinc/37/77/33/630377733.db2.gz HXHZYVSZJLKWGA-SMDDNHRTSA-N 0 3 283.343 2.063 20 10 CECDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000895857385 630379211 /nfs/dbraw/zinc/37/92/11/630379211.db2.gz BLYPNKYOGBYRLK-GJZGRUSLSA-N 0 3 279.380 2.232 20 10 CECDHN Cc1cc([O-])c(CN2CC[NH2+]C[C@](C)(F)C2)c(Cl)c1 ZINC000843124707 631736572 /nfs/dbraw/zinc/73/65/72/631736572.db2.gz FTSUZKIBKWOYSD-AWEZNQCLSA-N 0 3 286.778 2.487 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1[O-] ZINC000808706393 632002894 /nfs/dbraw/zinc/00/28/94/632002894.db2.gz JBIHUBGZZQGNTN-VHSXEESVSA-N 0 3 284.787 2.481 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000808715817 632005757 /nfs/dbraw/zinc/00/57/57/632005757.db2.gz XNQXPRRAQAQMLA-NHYWBVRUSA-N 0 3 298.814 2.071 20 10 CECDHN CN(C)c1cc(F)c(CNCC[C@H](O)C2CC2)cc1F ZINC000898199053 632112390 /nfs/dbraw/zinc/11/23/90/632112390.db2.gz JLSYCWCAORLGJM-HNNXBMFYSA-N 0 3 284.350 2.281 20 10 CECDHN CCO[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000926964926 632394283 /nfs/dbraw/zinc/39/42/83/632394283.db2.gz YLBKQACHFCQRAQ-YPMHNXCESA-N 0 3 284.375 2.149 20 10 CECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000898482079 632509134 /nfs/dbraw/zinc/50/91/34/632509134.db2.gz YDHNNLZWGJPYDF-MFKMUULPSA-N 0 3 281.327 2.353 20 10 CECDHN CCCN1C[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000817590158 633703765 /nfs/dbraw/zinc/70/37/65/633703765.db2.gz UYYSORBSIZSHAG-CHWSQXEVSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1ccc(F)cc1[O-] ZINC000817984562 633826737 /nfs/dbraw/zinc/82/67/37/633826737.db2.gz UHYIGKOFENCBQQ-JQWIXIFHSA-N 0 3 252.333 2.324 20 10 CECDHN COc1ccc(N2CC[C@H](CNCc3cc[nH]n3)C2)cc1 ZINC000818222348 633889062 /nfs/dbraw/zinc/88/90/62/633889062.db2.gz XQUHVDJHLGPIKU-CYBMUJFWSA-N 0 3 286.379 2.034 20 10 CECDHN C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615117 633960676 /nfs/dbraw/zinc/96/06/76/633960676.db2.gz LYXGQONQOLCKDC-ZWKOPEQDSA-N 0 3 279.340 2.221 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1 ZINC000822498155 634931084 /nfs/dbraw/zinc/93/10/84/634931084.db2.gz VHOTZPUKIGESJI-MRXNPFEDSA-N 0 3 285.395 2.181 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCOC13CCOCC3)CC2 ZINC000903391144 635087948 /nfs/dbraw/zinc/08/79/48/635087948.db2.gz WFTOZEYGIMKFIT-DZGCQCFKSA-N 0 3 289.375 2.307 20 10 CECDHN CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000824815477 635504777 /nfs/dbraw/zinc/50/47/77/635504777.db2.gz QJLCUNZDLJELPH-QMTHXVAHSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000824815477 635504782 /nfs/dbraw/zinc/50/47/82/635504782.db2.gz QJLCUNZDLJELPH-QMTHXVAHSA-N 0 3 253.317 2.388 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000825035062 635544595 /nfs/dbraw/zinc/54/45/95/635544595.db2.gz BFSLHKIXSZELBA-DOMZBBRYSA-N 0 3 279.380 2.432 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000827358899 636303650 /nfs/dbraw/zinc/30/36/50/636303650.db2.gz GCLDOINCTVWXOO-LLVKDONJSA-N 0 3 253.317 2.030 20 10 CECDHN Cc1cc(CN2CC[C@@](O)(C(F)F)C2)ccc1N(C)C ZINC000831181532 637247698 /nfs/dbraw/zinc/24/76/98/637247698.db2.gz OLHKVMTWBAZERE-HNNXBMFYSA-N 0 3 284.350 2.263 20 10 CECDHN CCCCCCN(C)CC(=O)NCCc1ccc(N)cc1 ZINC000832659246 637636089 /nfs/dbraw/zinc/63/60/89/637636089.db2.gz WKZXTYTZKGSPEW-UHFFFAOYSA-N 0 3 291.439 2.440 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000834502628 637849392 /nfs/dbraw/zinc/84/93/92/637849392.db2.gz RKSYMSZCMJOAED-ZBFHGGJFSA-N 0 3 299.370 2.409 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834559113 637865829 /nfs/dbraw/zinc/86/58/29/637865829.db2.gz ZPJYWGFEJRMOBR-CHWSQXEVSA-N 0 3 290.363 2.200 20 10 CECDHN COCCOCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835057004 638042626 /nfs/dbraw/zinc/04/26/26/638042626.db2.gz XLDHZFJDFAOZGM-WAYWQWQTSA-N 0 3 292.423 2.361 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000876678214 650394827 /nfs/dbraw/zinc/39/48/27/650394827.db2.gz IPIJEKMTCPZWAG-CYBMUJFWSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000876678214 650394830 /nfs/dbraw/zinc/39/48/30/650394830.db2.gz IPIJEKMTCPZWAG-CYBMUJFWSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000876805657 650440490 /nfs/dbraw/zinc/44/04/90/650440490.db2.gz DSHRYPBTZZAKPL-HOTGVXAUSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCN(c3cccnn3)CC2)c1 ZINC000164259231 639357363 /nfs/dbraw/zinc/35/73/63/639357363.db2.gz CLAAHXDKNLBRPR-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN Cc1ccc(C[NH2+]CC[S@@](=O)C(C)(C)C)c([O-])c1 ZINC000877055392 650550917 /nfs/dbraw/zinc/55/09/17/650550917.db2.gz MPZKLRYMHVJMMT-GOSISDBHSA-N 0 3 269.410 2.337 20 10 CECDHN CC(=O)c1cc(F)cc(CN(C2CC2)[C@H]2CC[NH2+]C2)c1[O-] ZINC000843361624 640404504 /nfs/dbraw/zinc/40/45/04/640404504.db2.gz MRUMVUBSZUUGBR-AWEZNQCLSA-N 0 3 292.354 2.060 20 10 CECDHN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@H]1[NH3+] ZINC000843376556 640410205 /nfs/dbraw/zinc/41/02/05/640410205.db2.gz AXEXLBAIKFXIGQ-XHDPSFHLSA-N 0 3 294.370 2.293 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC(C)([NH3+])CC2)c1[O-] ZINC000843376063 640410562 /nfs/dbraw/zinc/41/05/62/640410562.db2.gz TZJJAXRDGVROCG-UHFFFAOYSA-N 0 3 280.343 2.047 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000877133452 650589165 /nfs/dbraw/zinc/58/91/65/650589165.db2.gz BIZLSRHBWVUQNP-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN CC[C@H](C)[N@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000916361581 640760706 /nfs/dbraw/zinc/76/07/06/640760706.db2.gz PNRXWEJOOTZBGN-NSHDSACASA-N 0 3 297.374 2.061 20 10 CECDHN CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1c([O-])cccc1F ZINC000916361581 640760709 /nfs/dbraw/zinc/76/07/09/640760709.db2.gz PNRXWEJOOTZBGN-NSHDSACASA-N 0 3 297.374 2.061 20 10 CECDHN O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000844741348 640822785 /nfs/dbraw/zinc/82/27/85/640822785.db2.gz KXFYFBKHAVCZQS-KQHSUYLTSA-N 0 3 287.384 2.251 20 10 CECDHN O=[S@@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000844741348 640822789 /nfs/dbraw/zinc/82/27/89/640822789.db2.gz KXFYFBKHAVCZQS-KQHSUYLTSA-N 0 3 287.384 2.251 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000846193166 641218957 /nfs/dbraw/zinc/21/89/57/641218957.db2.gz KJOPSIGJDBGFRJ-GDBMZVCRSA-N 0 3 279.380 2.283 20 10 CECDHN CC[C@H]([NH2+]CCN1CCCC1=O)c1ccc(C)cc1[O-] ZINC000846207176 641221899 /nfs/dbraw/zinc/22/18/99/641221899.db2.gz ZJKPWZVJEVNCEZ-AWEZNQCLSA-N 0 3 276.380 2.364 20 10 CECDHN CCC(C)(C)NC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000182443448 641660892 /nfs/dbraw/zinc/66/08/92/641660892.db2.gz DDBMNTMBGGIEEE-NSHDSACASA-N 0 3 294.395 2.356 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@H]2CCNC2=O)cc1 ZINC000850340172 642671962 /nfs/dbraw/zinc/67/19/62/642671962.db2.gz HYADQZZYXRCNRG-INIZCTEOSA-N 0 3 289.423 2.291 20 10 CECDHN c1cc2n(n1)CCC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000850431023 642710805 /nfs/dbraw/zinc/71/08/05/642710805.db2.gz YIORVAPLHVQBMQ-AWEZNQCLSA-N 0 3 269.348 2.443 20 10 CECDHN COC[C@@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922078724 642866625 /nfs/dbraw/zinc/86/66/25/642866625.db2.gz GUXAQOKWMQQZTK-NVXWUHKLSA-N 0 3 291.391 2.295 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@]2(OC)CCSC2)c([O-])c1 ZINC000922572679 643131152 /nfs/dbraw/zinc/13/11/52/643131152.db2.gz ZGSOQSDCTGMVKT-OAHLLOKOSA-N 0 3 297.420 2.403 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877636013 650827129 /nfs/dbraw/zinc/82/71/29/650827129.db2.gz KKFOIPRYJGEHGT-CYBMUJFWSA-N 0 3 290.407 2.437 20 10 CECDHN CC(C)(CNC(=O)c1cccc(O)c1[O-])[NH+]1CCCCC1 ZINC000186746365 643342433 /nfs/dbraw/zinc/34/24/33/643342433.db2.gz AFZAENRLWZFOKU-UHFFFAOYSA-N 0 3 292.379 2.092 20 10 CECDHN FC(F)Oc1ccc2c(c1)CCCN2C[C@@H]1CNCCO1 ZINC000852745375 643530398 /nfs/dbraw/zinc/53/03/98/643530398.db2.gz SLSPBAUIZLHKHV-ZDUSSCGKSA-N 0 3 298.333 2.029 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140948 644172360 /nfs/dbraw/zinc/17/23/60/644172360.db2.gz KWFHKMLZTYRLPP-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756344287 644632575 /nfs/dbraw/zinc/63/25/75/644632575.db2.gz SXLLIYFCAQYRFV-KKZNHRDASA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000756534697 644659865 /nfs/dbraw/zinc/65/98/65/644659865.db2.gz MXCDFYWCEONYFS-JFGNBEQYSA-N 0 3 264.344 2.373 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCOC[C@H]2CCOC2)c([O-])c1 ZINC000756564169 644667856 /nfs/dbraw/zinc/66/78/56/644667856.db2.gz QQITVXULXPJXBM-KGLIPLIRSA-N 0 3 279.380 2.404 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1CN ZINC000843052575 644760859 /nfs/dbraw/zinc/76/08/59/644760859.db2.gz VUTXLBFIHWQBMC-GXFFZTMASA-N 0 3 252.333 2.091 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1CN ZINC000843052575 644760862 /nfs/dbraw/zinc/76/08/62/644760862.db2.gz VUTXLBFIHWQBMC-GXFFZTMASA-N 0 3 252.333 2.091 20 10 CECDHN C[C@H]1CCCN(Cc2cccc(F)c2[O-])[C@@H]1C[NH3+] ZINC000843052575 644760866 /nfs/dbraw/zinc/76/08/66/644760866.db2.gz VUTXLBFIHWQBMC-GXFFZTMASA-N 0 3 252.333 2.091 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c([O-])c1 ZINC000757702797 644838001 /nfs/dbraw/zinc/83/80/01/644838001.db2.gz QDPCYPUBABPVKS-XBXGTLAGSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CCc1ccncc1 ZINC000757888308 644854088 /nfs/dbraw/zinc/85/40/88/644854088.db2.gz QXTLRCMEFASBPE-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CCc1ccncc1 ZINC000757888308 644854091 /nfs/dbraw/zinc/85/40/91/644854091.db2.gz QXTLRCMEFASBPE-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN CCC[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134417 645071318 /nfs/dbraw/zinc/07/13/18/645071318.db2.gz BXIVMBMHQCOJIK-NSHDSACASA-N 0 3 272.339 2.281 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2CCC[C@H]2O)cc1F ZINC000858175393 645080521 /nfs/dbraw/zinc/08/05/21/645080521.db2.gz MNDXYLUZMYPPNO-TZMCWYRMSA-N 0 3 270.323 2.034 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000858472085 645172355 /nfs/dbraw/zinc/17/23/55/645172355.db2.gz FRZNOMHHKPBIAT-PWSUYJOCSA-N 0 3 261.321 2.305 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000760886901 645207299 /nfs/dbraw/zinc/20/72/99/645207299.db2.gz OTPJDYHDOLMNGW-WDBKCZKBSA-N 0 3 283.343 2.376 20 10 CECDHN COC(=O)CCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000762785431 645450771 /nfs/dbraw/zinc/45/07/71/645450771.db2.gz IMXJQJHDWALDQZ-UHFFFAOYSA-N 0 3 251.326 2.214 20 10 CECDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])cs3)CC[C@H]21 ZINC000768265633 646101972 /nfs/dbraw/zinc/10/19/72/646101972.db2.gz VKWYNLKSQNWGLC-CMPLNLGQSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])cs3)CC[C@H]21 ZINC000768265633 646101974 /nfs/dbraw/zinc/10/19/74/646101974.db2.gz VKWYNLKSQNWGLC-CMPLNLGQSA-N 0 3 280.393 2.010 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000768257559 646102400 /nfs/dbraw/zinc/10/24/00/646102400.db2.gz MPLTVJGNLOREAR-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000768257559 646102406 /nfs/dbraw/zinc/10/24/06/646102406.db2.gz MPLTVJGNLOREAR-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@@H]1C[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H](C)S1 ZINC000768465239 646127901 /nfs/dbraw/zinc/12/79/01/646127901.db2.gz DJTZYHQLFUYBAI-RULNRJAQSA-N 0 3 295.404 2.144 20 10 CECDHN COCC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769328799 646245900 /nfs/dbraw/zinc/24/59/00/646245900.db2.gz BYKGZTJJYPELEG-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc(O)c1CN1CCN(C2CCC2)CC1 ZINC000769415496 646262159 /nfs/dbraw/zinc/26/21/59/646262159.db2.gz ZKBKYCNHEXKNHE-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN CN(C)c1ccc(CN2CCN(C)CC2(C)C)cc1F ZINC000769448108 646267779 /nfs/dbraw/zinc/26/77/79/646267779.db2.gz ZLYIPTZMUILKND-UHFFFAOYSA-N 0 3 279.403 2.418 20 10 CECDHN CN(C)c1ccc(CN2CCSC[C@H]2CCO)cc1 ZINC000770306362 646377890 /nfs/dbraw/zinc/37/78/90/646377890.db2.gz OWCBQNBJBKOWNT-OAHLLOKOSA-N 0 3 280.437 2.052 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000775499174 646960795 /nfs/dbraw/zinc/96/07/95/646960795.db2.gz PJOPINMQSJBBRM-DZGCQCFKSA-N 0 3 278.396 2.154 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@@H]2OC)c([O-])c1 ZINC000775979196 647012251 /nfs/dbraw/zinc/01/22/51/647012251.db2.gz RQKSQTJWRXBGJA-VNQPRFMTSA-N 0 3 295.379 2.073 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2=O)c1[O-] ZINC000776232706 647040436 /nfs/dbraw/zinc/04/04/36/647040436.db2.gz WBKNKJJWNUDPJU-LBPRGKRZSA-N 0 3 282.771 2.064 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2=O)c1[O-] ZINC000776232705 647040591 /nfs/dbraw/zinc/04/05/91/647040591.db2.gz WBKNKJJWNUDPJU-GFCCVEGCSA-N 0 3 282.771 2.064 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000779026842 647282924 /nfs/dbraw/zinc/28/29/24/647282924.db2.gz ZLAFLZUOCKVFAM-HNNXBMFYSA-N 0 3 295.354 2.301 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000779092560 647287479 /nfs/dbraw/zinc/28/74/79/647287479.db2.gz IQSJEPBYTIWITQ-AWEZNQCLSA-N 0 3 295.354 2.349 20 10 CECDHN CC[C@@]1(O)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779220128 647298532 /nfs/dbraw/zinc/29/85/32/647298532.db2.gz XXSLLZFRLFADFY-OAHLLOKOSA-N 0 3 266.360 2.239 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000840826180 647892632 /nfs/dbraw/zinc/89/26/32/647892632.db2.gz RYEILTMQNIMCPC-JFGNBEQYSA-N 0 3 292.354 2.195 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@H](OC)C(F)(F)F ZINC000786830227 648048874 /nfs/dbraw/zinc/04/88/74/648048874.db2.gz GTDUWQGVVSRACQ-LBPRGKRZSA-N 0 3 293.285 2.458 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c([O-])c1 ZINC000788633827 648209895 /nfs/dbraw/zinc/20/98/95/648209895.db2.gz VADPXSDPMQFCLG-YOEHRIQHSA-N 0 3 293.407 2.449 20 10 CECDHN C[N@H+](CCNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000790538221 648429087 /nfs/dbraw/zinc/42/90/87/648429087.db2.gz FGTBDBWEWYEQMW-UHFFFAOYSA-N 0 3 292.379 2.092 20 10 CECDHN C[N@@H+](CCNC(=O)c1cccc(O)c1[O-])C1CCCCC1 ZINC000790538221 648429090 /nfs/dbraw/zinc/42/90/90/648429090.db2.gz FGTBDBWEWYEQMW-UHFFFAOYSA-N 0 3 292.379 2.092 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000790743704 648443964 /nfs/dbraw/zinc/44/39/64/648443964.db2.gz YHBUYEVPZBZECC-YWVKMMECSA-N 0 3 280.343 2.146 20 10 CECDHN NC(=O)C1(NCc2cc(-c3ccccc3)ccc2O)CC1 ZINC000792173775 648619776 /nfs/dbraw/zinc/61/97/76/648619776.db2.gz JKKIHEWTOGVNPV-UHFFFAOYSA-N 0 3 282.343 2.167 20 10 CECDHN NC(=O)C1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1 ZINC000792173775 648619777 /nfs/dbraw/zinc/61/97/77/648619777.db2.gz JKKIHEWTOGVNPV-UHFFFAOYSA-N 0 3 282.343 2.167 20 10 CECDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000840826254 648770728 /nfs/dbraw/zinc/77/07/28/648770728.db2.gz JACBOJSUWBZUGS-GUTXKFCHSA-N 0 3 265.353 2.155 20 10 CECDHN CCCOc1ccc(CN[C@@H](C)C(=O)N(C)C)cc1C ZINC000873114233 649560573 /nfs/dbraw/zinc/56/05/73/649560573.db2.gz YWHMTDIEFMXQDR-ZDUSSCGKSA-N 0 3 278.396 2.350 20 10 CECDHN CCCOc1ccc(CN[C@@H]2COC[C@@H]2OC)cc1C ZINC000873130794 649565209 /nfs/dbraw/zinc/56/52/09/649565209.db2.gz LCJJUUXLJBCIDG-ZBFHGGJFSA-N 0 3 279.380 2.287 20 10 CECDHN CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648593 651335226 /nfs/dbraw/zinc/33/52/26/651335226.db2.gz VHFIKXJMSCHBCZ-VXGBXAGGSA-N 0 3 264.369 2.298 20 10 CECDHN COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879650563 651335875 /nfs/dbraw/zinc/33/58/75/651335875.db2.gz HLROBAHRULPZJD-CMPLNLGQSA-N 0 3 291.347 2.279 20 10 CECDHN CC(C)CNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135718988 652980212 /nfs/dbraw/zinc/98/02/12/652980212.db2.gz DPKJLZQKCCVJHP-NWDGAFQWSA-N 0 3 264.369 2.204 20 10 CECDHN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001168250009 806441742 /nfs/dbraw/zinc/44/17/42/806441742.db2.gz WOTKBIBCJJACHP-AWEZNQCLSA-N 0 3 285.343 2.363 20 10 CECDHN Oc1cc2c(cc1O)CN(C[C@@H]1CCCO1)CCC2 ZINC001207894866 802319888 /nfs/dbraw/zinc/31/98/88/802319888.db2.gz ZKQFPYBWFDZRFT-ZDUSSCGKSA-N 0 3 263.337 2.025 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000724872453 803327691 /nfs/dbraw/zinc/32/76/91/803327691.db2.gz LLMXUUUSYPHGON-UXIGCNINSA-N 0 3 265.353 2.155 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000722344739 804327294 /nfs/dbraw/zinc/32/72/94/804327294.db2.gz CXZBUSSCMZOZGW-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000037138360 815026313 /nfs/dbraw/zinc/02/63/13/815026313.db2.gz ITTVTAZEGLOACK-HNNXBMFYSA-N 0 3 276.380 2.444 20 10 CECDHN CC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000037138457 815026897 /nfs/dbraw/zinc/02/68/97/815026897.db2.gz NOIQPXYOKXAHRW-LLVKDONJSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])CC1(C)OCCO1 ZINC000716006175 815027377 /nfs/dbraw/zinc/02/73/77/815027377.db2.gz KTDVBHIZXZSMMM-GFCCVEGCSA-N 0 3 265.353 2.271 20 10 CECDHN Cc1cc(F)cc(CN2CCC3(CCOC3=O)CC2)c1O ZINC001238066110 808292673 /nfs/dbraw/zinc/29/26/73/808292673.db2.gz IAMBSXRKNXUURQ-UHFFFAOYSA-N 0 3 293.338 2.369 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CC[C@@H]2SC)c([O-])c1 ZINC000701992613 809483296 /nfs/dbraw/zinc/48/32/96/809483296.db2.gz KTWPPHKEGDEXSR-AAEUAGOBSA-N 0 3 253.367 2.384 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000754080995 814117291 /nfs/dbraw/zinc/11/72/91/814117291.db2.gz VTUOJQNOWYUHPV-LLVKDONJSA-N 0 3 265.353 2.448 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](OC)C1 ZINC001116748882 814879939 /nfs/dbraw/zinc/87/99/39/814879939.db2.gz ZGOVNYLFVSEREP-MNOVXSKESA-N 0 3 251.326 2.058 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714353733 814898023 /nfs/dbraw/zinc/89/80/23/814898023.db2.gz ZRIJVKSYMFAOPL-GXTWGEPZSA-N 0 3 297.420 2.400 20 10 CECDHN CN(C)c1ccc(C[N@H+](C)Cc2ncccc2[O-])cc1 ZINC001138396170 815787637 /nfs/dbraw/zinc/78/76/37/815787637.db2.gz ODNWZSNKFSENKS-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN CN(C)c1ccc(C[N@@H+](C)Cc2ncccc2[O-])cc1 ZINC001138396170 815787645 /nfs/dbraw/zinc/78/76/45/815787645.db2.gz ODNWZSNKFSENKS-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN CCN(Cc1ccc(N(C)C)c(C)c1)C1CN(C)C1 ZINC001139673455 816077985 /nfs/dbraw/zinc/07/79/85/816077985.db2.gz HQFYGNUCJOYYEX-UHFFFAOYSA-N 0 3 261.413 2.197 20 10 CECDHN CCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055453 816178561 /nfs/dbraw/zinc/17/85/61/816178561.db2.gz ZNPKBWUIXIVAFA-UHFFFAOYSA-N 0 3 280.343 2.022 20 10 CECDHN CC(=O)N1CCN(Cc2c(C)ccc(C)c2O)C[C@H]1C ZINC001140183306 816205565 /nfs/dbraw/zinc/20/55/65/816205565.db2.gz BFPXRCUWUFHBMN-CYBMUJFWSA-N 0 3 276.380 2.062 20 10 CECDHN COc1cc(O)c(CN(C)C[C@H]2CCCCO2)c(OC)c1 ZINC001141028099 816448775 /nfs/dbraw/zinc/44/87/75/816448775.db2.gz BHSCQTKHRBEZEN-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC(C)C)C2)c(OC)c1 ZINC001141029205 816450424 /nfs/dbraw/zinc/45/04/24/816450424.db2.gz MCDBCUZGQXKQCO-GFCCVEGCSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC(C)C)C2)c(OC)c1 ZINC001141029205 816450425 /nfs/dbraw/zinc/45/04/25/816450425.db2.gz MCDBCUZGQXKQCO-GFCCVEGCSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](OC)CC2)c(OC)c1 ZINC001141029137 816451674 /nfs/dbraw/zinc/45/16/74/816451674.db2.gz JTKHHYPNQWDQEJ-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](OC)CC2)c(OC)c1 ZINC001141029137 816451677 /nfs/dbraw/zinc/45/16/77/816451677.db2.gz JTKHHYPNQWDQEJ-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN CN1CCOc2cc(CN3CCC[C@@]4(CCO4)C3)ccc21 ZINC001141143702 816485673 /nfs/dbraw/zinc/48/56/73/816485673.db2.gz GGTGXSHFWZOUIS-QGZVFWFLSA-N 0 3 288.391 2.270 20 10 CECDHN CCOc1ccc(C[NH2+]C2(CO)CCSCC2)c([O-])c1 ZINC000839177789 816567327 /nfs/dbraw/zinc/56/73/27/816567327.db2.gz QHOABVDQLXOLLV-UHFFFAOYSA-N 0 3 297.420 2.139 20 10 CECDHN Cc1ncc(CNCc2cc3c(cc2O)OCO3)s1 ZINC000042880396 362127376 /nfs/dbraw/zinc/12/73/76/362127376.db2.gz JOCCUMCMQYEJOD-UHFFFAOYSA-N 0 3 278.333 2.176 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2ccncc2)c1 ZINC000048261627 362251987 /nfs/dbraw/zinc/25/19/87/362251987.db2.gz JRUAVZPVRUOZIU-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN CCOc1cccc(C[NH+]2CCC([C@@H](C)O)CC2)c1[O-] ZINC000092969897 344208224 /nfs/dbraw/zinc/20/82/24/344208224.db2.gz KYVOUBKGEUSDQC-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COCCCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185554073 344509471 /nfs/dbraw/zinc/50/94/71/344509471.db2.gz QHZMNCQPNHNMCQ-CQSZACIVSA-N 0 3 280.412 2.320 20 10 CECDHN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000271347277 344667227 /nfs/dbraw/zinc/66/72/27/344667227.db2.gz PHTPFWLIDFJDAV-IUODEOHRSA-N 0 3 266.360 2.094 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000076073961 283297097 /nfs/dbraw/zinc/29/70/97/283297097.db2.gz SVOVDMBZBNUGOV-LBPRGKRZSA-N 0 3 264.369 2.081 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(=O)N(C)C ZINC000076073961 283297099 /nfs/dbraw/zinc/29/70/99/283297099.db2.gz SVOVDMBZBNUGOV-LBPRGKRZSA-N 0 3 264.369 2.081 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCOC2)c1 ZINC000156030138 366825951 /nfs/dbraw/zinc/82/59/51/366825951.db2.gz OWVVCGMJMWFXDQ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)c1 ZINC000156030138 366825956 /nfs/dbraw/zinc/82/59/56/366825956.db2.gz OWVVCGMJMWFXDQ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070685 364075399 /nfs/dbraw/zinc/07/53/99/364075399.db2.gz UBQRKQRMMBYKTN-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000092070685 364075400 /nfs/dbraw/zinc/07/54/00/364075400.db2.gz UBQRKQRMMBYKTN-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092643895 364091926 /nfs/dbraw/zinc/09/19/26/364091926.db2.gz FLSPEXHJZMOSSA-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092643895 364091931 /nfs/dbraw/zinc/09/19/31/364091931.db2.gz FLSPEXHJZMOSSA-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092643640 364092853 /nfs/dbraw/zinc/09/28/53/364092853.db2.gz PMRVOCALTDBROK-AWEZNQCLSA-N 0 3 276.380 2.138 20 10 CECDHN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168771158 367360429 /nfs/dbraw/zinc/36/04/29/367360429.db2.gz DGXDICSGKLLZNU-QWRGUYRKSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000245870144 370882678 /nfs/dbraw/zinc/88/26/78/370882678.db2.gz RHFWDEYAKFTKBH-ZIAGYGMSSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000245870144 370882681 /nfs/dbraw/zinc/88/26/81/370882681.db2.gz RHFWDEYAKFTKBH-ZIAGYGMSSA-N 0 3 279.405 2.407 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC2CN(C(=O)OC)C2)cc1 ZINC000181473645 368460710 /nfs/dbraw/zinc/46/07/10/368460710.db2.gz IDFWGFNPSMOEJA-GFCCVEGCSA-N 0 3 291.395 2.244 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)CCc2ccncc2)c1 ZINC000183757604 368647952 /nfs/dbraw/zinc/64/79/52/368647952.db2.gz DBYQLSHYVFHGQG-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)CCc2ccncc2)c1 ZINC000183757604 368647959 /nfs/dbraw/zinc/64/79/59/368647959.db2.gz DBYQLSHYVFHGQG-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccc(F)cc1[O-] ZINC000293387644 296130813 /nfs/dbraw/zinc/13/08/13/296130813.db2.gz ISPHMYNNJISUTK-WDEREUQCSA-N 0 3 254.349 2.380 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000189114816 369460549 /nfs/dbraw/zinc/46/05/49/369460549.db2.gz YBMFPSXVZZIUKS-WDEREUQCSA-N 0 3 253.342 2.304 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000190304498 369611315 /nfs/dbraw/zinc/61/13/15/369611315.db2.gz MDAQKAMPHHCNAZ-SMDDNHRTSA-N 0 3 265.353 2.042 20 10 CECDHN CN(C)c1ccc(CNCCOCC(F)F)cc1 ZINC000190894951 369659769 /nfs/dbraw/zinc/65/97/69/369659769.db2.gz MPLFCOOLSOSKEJ-UHFFFAOYSA-N 0 3 258.312 2.124 20 10 CECDHN COc1ccc(N2CCCN(C[C@H]3CCCO3)CC2)cc1 ZINC000249708945 371355148 /nfs/dbraw/zinc/35/51/48/371355148.db2.gz CJUQKUWABPMGMI-QGZVFWFLSA-N 0 3 290.407 2.386 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@H](C)C2)cc1OC ZINC000271819350 373203210 /nfs/dbraw/zinc/20/32/10/373203210.db2.gz MOFDNVYTUHSNHT-VXGBXAGGSA-N 0 3 295.379 2.314 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C ZINC000368963199 373301616 /nfs/dbraw/zinc/30/16/16/373301616.db2.gz IOSZHQATWLYBJD-BJJXKVORSA-N 0 3 288.391 2.095 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1C ZINC000368963199 373301624 /nfs/dbraw/zinc/30/16/24/373301624.db2.gz IOSZHQATWLYBJD-BJJXKVORSA-N 0 3 288.391 2.095 20 10 CECDHN CCOc1ccc(O)c(CN(C)CCOCCCOC)c1 ZINC000272350666 373443422 /nfs/dbraw/zinc/44/34/22/373443422.db2.gz KLGGFNXKBOZSSW-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000272625518 373587672 /nfs/dbraw/zinc/58/76/72/373587672.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000272625518 373587682 /nfs/dbraw/zinc/58/76/82/373587682.db2.gz MKGITCYIMNWNSH-ZFWWWQNUSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c1 ZINC000273484349 373759966 /nfs/dbraw/zinc/75/99/66/373759966.db2.gz MXTAEFJRLUWPNH-MLGOLLRUSA-N 0 3 279.380 2.139 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912734 /nfs/dbraw/zinc/91/27/34/373912734.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371529023 373912741 /nfs/dbraw/zinc/91/27/41/373912741.db2.gz PPKACNFRBXHLQR-BMFZPTHFSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373913007 /nfs/dbraw/zinc/91/30/07/373913007.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371526826 373913014 /nfs/dbraw/zinc/91/30/14/373913014.db2.gz FXFOSJVIYPCMQN-YCPHGPKFSA-N 0 3 290.382 2.447 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)NCCF)cc1 ZINC000282650419 375539599 /nfs/dbraw/zinc/53/95/99/375539599.db2.gz HZUGZOCBGPNEHY-QWHCGFSZSA-N 0 3 295.402 2.268 20 10 CECDHN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000284415589 375827901 /nfs/dbraw/zinc/82/79/01/375827901.db2.gz QMHTWGDAJDUUCQ-JVLSTEMRSA-N 0 3 299.386 2.340 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](CC)OC)c1[O-] ZINC000289885356 376545160 /nfs/dbraw/zinc/54/51/60/376545160.db2.gz SETJISXAFHOWGL-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN CO[C@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000291049015 377049036 /nfs/dbraw/zinc/04/90/36/377049036.db2.gz MSFKIPOCTLLRGW-OAHLLOKOSA-N 0 3 279.336 2.026 20 10 CECDHN Cc1c2ccccc2n(C)c1CNC(=O)CN1CC[C@@H](C)C1 ZINC000565201497 377601788 /nfs/dbraw/zinc/60/17/88/377601788.db2.gz MGFWPXLSEVHZTJ-CYBMUJFWSA-N 0 3 299.418 2.445 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293637189 377670799 /nfs/dbraw/zinc/67/07/99/377670799.db2.gz LVYRKZPSEXYXFU-UHFFFAOYSA-N 0 3 277.364 2.430 20 10 CECDHN CNC(=O)CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293720361 377722934 /nfs/dbraw/zinc/72/29/34/377722934.db2.gz MLIQPFNMQRRBGC-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000293801330 377765304 /nfs/dbraw/zinc/76/53/04/377765304.db2.gz YGSOKXJAXRDJBL-NSHDSACASA-N 0 3 267.325 2.026 20 10 CECDHN Cc1cccc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1O ZINC000294733257 378016108 /nfs/dbraw/zinc/01/61/08/378016108.db2.gz GLZZBZFWCRWEAK-AWEZNQCLSA-N 0 3 292.379 2.363 20 10 CECDHN COCCO[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294633342 378001627 /nfs/dbraw/zinc/00/16/27/378001627.db2.gz PJXFEJQXUTWLPT-MRXNPFEDSA-N 0 3 292.423 2.298 20 10 CECDHN CC[C@@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(F)F ZINC000294972037 378032957 /nfs/dbraw/zinc/03/29/57/378032957.db2.gz FUPRPSJYJNTSLK-OLZOCXBDSA-N 0 3 272.339 2.247 20 10 CECDHN COC[C@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295094331 378041231 /nfs/dbraw/zinc/04/12/31/378041231.db2.gz JRIIQRZIJDRTOU-MRXNPFEDSA-N 0 3 295.379 2.268 20 10 CECDHN COC[C@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295094331 378041237 /nfs/dbraw/zinc/04/12/37/378041237.db2.gz JRIIQRZIJDRTOU-MRXNPFEDSA-N 0 3 295.379 2.268 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294864931 378025589 /nfs/dbraw/zinc/02/55/89/378025589.db2.gz UFBHXGUPWLRDKS-KRWDZBQOSA-N 0 3 299.370 2.252 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000294864931 378025594 /nfs/dbraw/zinc/02/55/94/378025594.db2.gz UFBHXGUPWLRDKS-KRWDZBQOSA-N 0 3 299.370 2.252 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1OC ZINC000529639917 380181390 /nfs/dbraw/zinc/18/13/90/380181390.db2.gz AFRKRMSNKAMBST-BZNIZROVSA-N 0 3 293.363 2.067 20 10 CECDHN CC[C@@H](C)N(C)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000217386508 394454526 /nfs/dbraw/zinc/45/45/26/394454526.db2.gz QDQFNYZMZVYPBM-GFCCVEGCSA-N 0 3 266.385 2.221 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000093481694 394667640 /nfs/dbraw/zinc/66/76/40/394667640.db2.gz YAPXTLCBEZVANN-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000093481694 394667643 /nfs/dbraw/zinc/66/76/43/394667643.db2.gz YAPXTLCBEZVANN-LBPRGKRZSA-N 0 3 267.369 2.384 20 10 CECDHN CN(Cc1ccccc1O)C[C@](C)(O)C(F)(F)F ZINC000281888822 394869272 /nfs/dbraw/zinc/86/92/72/394869272.db2.gz DQZMVSFDZDYUDU-NSHDSACASA-N 0 3 263.259 2.137 20 10 CECDHN CCCOc1ccc(CN2CCN(CC)CC2)c(O)c1 ZINC000131710571 394916957 /nfs/dbraw/zinc/91/69/57/394916957.db2.gz HVQXKLFGTGIUTG-UHFFFAOYSA-N 0 3 278.396 2.319 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(F)ccc1[O-] ZINC000368329428 394984313 /nfs/dbraw/zinc/98/43/13/394984313.db2.gz DBUUUDXGXKJECY-RISCZKNCSA-N 0 3 294.370 2.045 20 10 CECDHN CN(C)c1ccncc1CNCc1ccc2c(c1)CCN2C ZINC000373523240 395062717 /nfs/dbraw/zinc/06/27/17/395062717.db2.gz VQTMUPPWYUOQCK-UHFFFAOYSA-N 0 3 296.418 2.430 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000374282965 395078936 /nfs/dbraw/zinc/07/89/36/395078936.db2.gz KCOIFDHMTJSNGG-YUTCNCBUSA-N 0 3 274.364 2.011 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[O-] ZINC000374282965 395078938 /nfs/dbraw/zinc/07/89/38/395078938.db2.gz KCOIFDHMTJSNGG-YUTCNCBUSA-N 0 3 274.364 2.011 20 10 CECDHN CS(=O)(=O)CC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000293581570 395242212 /nfs/dbraw/zinc/24/22/12/395242212.db2.gz DXOQPICOIJZAPP-UHFFFAOYSA-N 0 3 297.420 2.085 20 10 CECDHN COc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1[O-] ZINC000293051299 395216539 /nfs/dbraw/zinc/21/65/39/395216539.db2.gz ROFZXTVBLPTHPK-XHDPSFHLSA-N 0 3 265.353 2.042 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183565322 395259009 /nfs/dbraw/zinc/25/90/09/395259009.db2.gz NAKMHBUUNRDXIB-VXGBXAGGSA-N 0 3 262.353 2.054 20 10 CECDHN C[NH2+]C[C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000071141935 176039980 /nfs/dbraw/zinc/03/99/80/176039980.db2.gz XDRHLWNEIBFTOO-JTQLQIEISA-N 0 3 254.761 2.087 20 10 CECDHN COC[C@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093337901 260275634 /nfs/dbraw/zinc/27/56/34/260275634.db2.gz DDZNIQCMJVIWRL-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093337901 260275635 /nfs/dbraw/zinc/27/56/35/260275635.db2.gz DDZNIQCMJVIWRL-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCCN(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000161210174 261240466 /nfs/dbraw/zinc/24/04/66/261240466.db2.gz ZNCRBWKJTIYHRN-UHFFFAOYSA-N 0 3 254.349 2.096 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CSCCS2)c1 ZINC000164753509 261358717 /nfs/dbraw/zinc/35/87/17/261358717.db2.gz OASACGZICDSUQA-LBPRGKRZSA-N 0 3 285.434 2.339 20 10 CECDHN COc1cc(Cl)cc(CN2CCC[C@@H]2CO)c1O ZINC000184677530 262026276 /nfs/dbraw/zinc/02/62/76/262026276.db2.gz CGBASZPPZJIMSF-LLVKDONJSA-N 0 3 271.744 2.011 20 10 CECDHN CCOC(=O)N1CC[C@H](NCc2ccc(N(C)C)cc2)C1 ZINC000185786687 262070749 /nfs/dbraw/zinc/07/07/49/262070749.db2.gz QPKQEROSNSIBIO-AWEZNQCLSA-N 0 3 291.395 2.073 20 10 CECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cc(C)ccc2[O-])C1(C)C ZINC000186590076 262100686 /nfs/dbraw/zinc/10/06/86/262100686.db2.gz XRBGLKOSUAWNJC-DOTOQJQBSA-N 0 3 293.407 2.356 20 10 CECDHN Oc1ccc(F)cc1CN1CCN([C@H]2CCSC2)CC1 ZINC000368590329 262112115 /nfs/dbraw/zinc/11/21/15/262112115.db2.gz KOTLCYFEGHXFTQ-AWEZNQCLSA-N 0 3 296.411 2.154 20 10 CECDHN COc1ccc(O)c([C@H](C)N(C)[C@@H]2CCCCNC2=O)c1 ZINC000368015244 267134537 /nfs/dbraw/zinc/13/45/37/267134537.db2.gz CIUAWWBWTXQVNR-SMDDNHRTSA-N 0 3 292.379 2.062 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c([O-])c1 ZINC000368331296 267163233 /nfs/dbraw/zinc/16/32/33/267163233.db2.gz JCAVBSZALRJZPK-RMRHIDDWSA-N 0 3 288.391 2.361 20 10 CECDHN COc1ccc(O)c(CN[C@@]2(CO)CCc3ccccc32)c1 ZINC000305807298 268001478 /nfs/dbraw/zinc/00/14/78/268001478.db2.gz ZQDXXONDMIUUGS-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN CC(=O)NC1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297772997 275477737 /nfs/dbraw/zinc/47/77/37/275477737.db2.gz PFJMENJBMIYOGI-YMAMQOFZSA-N 0 3 288.391 2.416 20 10 CECDHN COc1cccc(C[NH2+]CCN2CCCCCC2)c1[O-] ZINC000040767356 278012319 /nfs/dbraw/zinc/01/23/19/278012319.db2.gz MUIKSTNQIDAVOY-UHFFFAOYSA-N 0 3 278.396 2.366 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281071300 295168566 /nfs/dbraw/zinc/16/85/66/295168566.db2.gz OGOCLBCPEJUQGK-PRWKNARSSA-N 0 3 297.420 2.353 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1[O-] ZINC000527803578 313204362 /nfs/dbraw/zinc/20/43/62/313204362.db2.gz HAYLNOGZHKUYEA-PUHVVEEASA-N 0 3 265.353 2.302 20 10 CECDHN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000184568972 327829901 /nfs/dbraw/zinc/82/99/01/327829901.db2.gz LMUCOYQKLYPMFG-VHSXEESVSA-N 0 3 269.316 2.209 20 10 CECDHN CCOc1cccc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000274722751 328006177 /nfs/dbraw/zinc/00/61/77/328006177.db2.gz FIKRSYJINVUSIH-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@H](CO)C1 ZINC000378500346 329053087 /nfs/dbraw/zinc/05/30/87/329053087.db2.gz UFUZHZQAKWSWPX-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@H](CO)C1 ZINC000378500346 329053089 /nfs/dbraw/zinc/05/30/89/329053089.db2.gz UFUZHZQAKWSWPX-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180285617 329219256 /nfs/dbraw/zinc/21/92/56/329219256.db2.gz ORLDJIXVRQODJR-LBPRGKRZSA-N 0 3 290.342 2.035 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000180285617 329219258 /nfs/dbraw/zinc/21/92/58/329219258.db2.gz ORLDJIXVRQODJR-LBPRGKRZSA-N 0 3 290.342 2.035 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1[O-] ZINC000183618750 329251237 /nfs/dbraw/zinc/25/12/37/329251237.db2.gz VPSKQOYSNMYJQB-JQWIXIFHSA-N 0 3 257.337 2.323 20 10 CECDHN COc1ccc(CC[NH2+]Cc2cc(C)ccc2[O-])cn1 ZINC000527792979 330283669 /nfs/dbraw/zinc/28/36/69/330283669.db2.gz FFAZVGLAQLXRCR-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1ccccc1[O-] ZINC000235464588 333369846 /nfs/dbraw/zinc/36/98/46/333369846.db2.gz LASYZQPRNFXXOK-LLVKDONJSA-N 0 3 280.368 2.395 20 10 CECDHN COc1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000529663700 333504560 /nfs/dbraw/zinc/50/45/60/333504560.db2.gz ZTCQYHSRYRWBBJ-UHFFFAOYSA-N 0 3 276.311 2.267 20 10 CECDHN CCN(CC)c1ccc(CNCCNC(=O)C2CC2)cc1 ZINC000072670682 520904820 /nfs/dbraw/zinc/90/48/20/520904820.db2.gz HAYAXCBRFMBBCP-UHFFFAOYSA-N 0 3 289.423 2.149 20 10 CECDHN CCC[C@@]1([NH2+]Cc2cc(OC)ccc2[O-])CCOC1 ZINC000289828432 520965023 /nfs/dbraw/zinc/96/50/23/520965023.db2.gz UFEXZOAMHRYZJW-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C[C@@H](C)OC ZINC000291059198 521353946 /nfs/dbraw/zinc/35/39/46/521353946.db2.gz JRPJIHSHMVZYQQ-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1cccc(OC)c1[O-])C[C@@H](C)OC ZINC000291059198 521353951 /nfs/dbraw/zinc/35/39/51/521353951.db2.gz JRPJIHSHMVZYQQ-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCC[N@H+](CCOCCOC)Cc1ccccc1[O-] ZINC000079409803 521669655 /nfs/dbraw/zinc/66/96/55/521669655.db2.gz XZNOJUCUPSVWOO-UHFFFAOYSA-N 0 3 267.369 2.267 20 10 CECDHN CCC[N@@H+](CCOCCOC)Cc1ccccc1[O-] ZINC000079409803 521669657 /nfs/dbraw/zinc/66/96/57/521669657.db2.gz XZNOJUCUPSVWOO-UHFFFAOYSA-N 0 3 267.369 2.267 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000279644865 522541427 /nfs/dbraw/zinc/54/14/27/522541427.db2.gz DHZWZPVAHLQCIZ-UHFFFAOYSA-N 0 3 296.798 2.406 20 10 CECDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000280970630 522573269 /nfs/dbraw/zinc/57/32/69/522573269.db2.gz LHKWTUHYZTXRII-ZDUSSCGKSA-N 0 3 297.420 2.400 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000280239241 522630516 /nfs/dbraw/zinc/63/05/16/522630516.db2.gz VWYHDBWPDXSFIW-HOCLYGCPSA-N 0 3 289.379 2.208 20 10 CECDHN COc1cc(O)c(CN2CC[C@@H](O)C(C)(C)C2)cc1OC ZINC000276093301 522778065 /nfs/dbraw/zinc/77/80/65/522778065.db2.gz YEDYDTKFJRIWDW-OAHLLOKOSA-N 0 3 295.379 2.002 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H](O)COC)c1ccc(C)cc1[O-] ZINC000280151579 522839739 /nfs/dbraw/zinc/83/97/39/522839739.db2.gz QGAKUUUVVMTLBK-GXTWGEPZSA-N 0 3 267.369 2.139 20 10 CECDHN CN(C)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289537969 524008318 /nfs/dbraw/zinc/00/83/18/524008318.db2.gz HYCCRLLPAJSZLG-CQSZACIVSA-N 0 3 292.379 2.445 20 10 CECDHN CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000289537969 524008321 /nfs/dbraw/zinc/00/83/21/524008321.db2.gz HYCCRLLPAJSZLG-CQSZACIVSA-N 0 3 292.379 2.445 20 10 CECDHN COCCOCCNCc1ccc(N2CCCCC2)cc1 ZINC000044424369 524009694 /nfs/dbraw/zinc/00/96/94/524009694.db2.gz NBFVCBZHVSLIIF-UHFFFAOYSA-N 0 3 292.423 2.430 20 10 CECDHN Cc1cc(CN2CCC[C@H](OCCO)C2)ccc1N(C)C ZINC000293046402 524689646 /nfs/dbraw/zinc/68/96/46/524689646.db2.gz KEHHWDVTKWEWLO-INIZCTEOSA-N 0 3 292.423 2.034 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000037267114 524767942 /nfs/dbraw/zinc/76/79/42/524767942.db2.gz KOCSLGHGYMKVHA-NSHDSACASA-N 0 3 264.369 2.146 20 10 CECDHN C[C@@H]1C[C@H](CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000273076501 525408361 /nfs/dbraw/zinc/40/83/61/525408361.db2.gz PPSPDNFXPXACHD-VXGBXAGGSA-N 0 3 293.363 2.416 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cc(F)ccc1[O-] ZINC000128323849 525589472 /nfs/dbraw/zinc/58/94/72/525589472.db2.gz IXGFHPQNMLKXCR-CKLFPEKLSA-N 0 3 253.317 2.341 20 10 CECDHN COc1cccc(C[N@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000290436511 525914356 /nfs/dbraw/zinc/91/43/56/525914356.db2.gz LPQOXSPRVRTSMM-UHFFFAOYSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000290436511 525914360 /nfs/dbraw/zinc/91/43/60/525914360.db2.gz LPQOXSPRVRTSMM-UHFFFAOYSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@@H](C(=O)NCCCSc1nccs1)N(C)C ZINC000125216644 649872918 /nfs/dbraw/zinc/87/29/18/649872918.db2.gz QLJYJWBRMMVXCN-JTQLQIEISA-N 0 3 287.454 2.082 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CCCO1 ZINC000738159205 574492545 /nfs/dbraw/zinc/49/25/45/574492545.db2.gz ATDJTKMKFXRDJZ-GFCCVEGCSA-N 0 3 261.365 2.492 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CCCO1 ZINC000738159205 574492546 /nfs/dbraw/zinc/49/25/46/574492546.db2.gz ATDJTKMKFXRDJZ-GFCCVEGCSA-N 0 3 261.365 2.492 20 10 CECDHN COC(C)(C)CNCc1ccc(N(C)C)c(F)c1 ZINC000742380199 575018444 /nfs/dbraw/zinc/01/84/44/575018444.db2.gz KBELRTJAKFTURK-UHFFFAOYSA-N 0 3 254.349 2.406 20 10 CECDHN CCOc1ccc(C[NH2+]CC(C)(C)OC)c([O-])c1 ZINC000742380349 575018485 /nfs/dbraw/zinc/01/84/85/575018485.db2.gz MGQMCGOXRJTPRR-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN COc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1C ZINC000742392554 575019724 /nfs/dbraw/zinc/01/97/24/575019724.db2.gz QPKMECXAPRPNCZ-NILFDRSVSA-N 0 3 288.391 2.103 20 10 CECDHN COc1ccc(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1C ZINC000742392551 575019790 /nfs/dbraw/zinc/01/97/90/575019790.db2.gz QPKMECXAPRPNCZ-DFBGVHRSSA-N 0 3 288.391 2.103 20 10 CECDHN CC[NH+]1CCC(CCNC(=O)c2cc([O-])cs2)CC1 ZINC000743694156 575108811 /nfs/dbraw/zinc/10/88/11/575108811.db2.gz MNKKONRMLHUFGG-UHFFFAOYSA-N 0 3 282.409 2.306 20 10 CECDHN CN(C)C(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725841999 625619754 /nfs/dbraw/zinc/61/97/54/625619754.db2.gz VJKZKLFSISTYDK-UHFFFAOYSA-N 0 3 284.359 2.237 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)CCF)c1[O-] ZINC000846098330 623341064 /nfs/dbraw/zinc/34/10/64/623341064.db2.gz ACTMNJBVKNKALV-LLVKDONJSA-N 0 3 261.724 2.164 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)CCF)c1[O-] ZINC000846098332 623341846 /nfs/dbraw/zinc/34/18/46/623341846.db2.gz ACTMNJBVKNKALV-NSHDSACASA-N 0 3 261.724 2.164 20 10 CECDHN C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)[NH2+]1 ZINC000070075302 623556310 /nfs/dbraw/zinc/55/63/10/623556310.db2.gz LTGGPBGPUYDDLZ-AOOOYVTPSA-N 0 3 254.761 2.228 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891714121 623921612 /nfs/dbraw/zinc/92/16/12/623921612.db2.gz SFJMQDXKJOILLU-ZIAGYGMSSA-N 0 3 295.354 2.458 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891714121 623921615 /nfs/dbraw/zinc/92/16/15/623921615.db2.gz SFJMQDXKJOILLU-ZIAGYGMSSA-N 0 3 295.354 2.458 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891714119 623921675 /nfs/dbraw/zinc/92/16/75/623921675.db2.gz SFJMQDXKJOILLU-KGLIPLIRSA-N 0 3 295.354 2.458 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891714119 623921677 /nfs/dbraw/zinc/92/16/77/623921677.db2.gz SFJMQDXKJOILLU-KGLIPLIRSA-N 0 3 295.354 2.458 20 10 CECDHN C[C@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)[S@](C)=O ZINC000311044812 627357977 /nfs/dbraw/zinc/35/79/77/627357977.db2.gz HDAOXAYXFHDZQA-QAMHXRKUSA-N 0 3 267.394 2.126 20 10 CECDHN CC[S@@](=O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168765848 627687046 /nfs/dbraw/zinc/68/70/46/627687046.db2.gz QPJAIIJCWRGOGF-GTNSWQLSSA-N 0 3 255.383 2.120 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000094618080 628868849 /nfs/dbraw/zinc/86/88/49/628868849.db2.gz ONYUDSCKYKSCNW-IUPBHXKESA-N 0 3 253.317 2.485 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c([O-])c1 ZINC000894185482 629197359 /nfs/dbraw/zinc/19/73/59/629197359.db2.gz OSEOCBHPKCDYNA-WLRQEKSISA-N 0 3 289.375 2.304 20 10 CECDHN CC1(C)CNCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841073428 634731016 /nfs/dbraw/zinc/73/10/16/634731016.db2.gz TXFMYUQBZYBTEG-LBPRGKRZSA-N 0 3 252.333 2.009 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)N1CCCC1)c1ccccc1[O-] ZINC000020127211 629998749 /nfs/dbraw/zinc/99/87/49/629998749.db2.gz DOCBVYKKYKLXAI-GFCCVEGCSA-N 0 3 262.353 2.055 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@@H]23)c([O-])c1 ZINC000896427950 630562857 /nfs/dbraw/zinc/56/28/57/630562857.db2.gz IVBMTUWAHOXXFU-CABCVRRESA-N 0 3 292.448 2.370 20 10 CECDHN C[C@@H](O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000798195252 630834835 /nfs/dbraw/zinc/83/48/35/630834835.db2.gz DMIRFVZAVIGFBK-UKRRQHHQSA-N 0 3 279.380 2.144 20 10 CECDHN C[C@@H](O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000798195252 630834837 /nfs/dbraw/zinc/83/48/37/630834837.db2.gz DMIRFVZAVIGFBK-UKRRQHHQSA-N 0 3 279.380 2.144 20 10 CECDHN COCCO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653365 631440319 /nfs/dbraw/zinc/44/03/19/631440319.db2.gz SYAWQAJNSKEEIN-CQSZACIVSA-N 0 3 283.343 2.159 20 10 CECDHN COCCO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653365 631440324 /nfs/dbraw/zinc/44/03/24/631440324.db2.gz SYAWQAJNSKEEIN-CQSZACIVSA-N 0 3 283.343 2.159 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841744522 631568140 /nfs/dbraw/zinc/56/81/40/631568140.db2.gz IHVAKDHUHVLCOP-YPMHNXCESA-N 0 3 298.814 2.153 20 10 CECDHN [NH3+]C[C@H](NCc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841028033 631809386 /nfs/dbraw/zinc/80/93/86/631809386.db2.gz JSQODZDIEUJVQM-JTQLQIEISA-N 0 3 258.724 2.012 20 10 CECDHN NC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841028033 631809398 /nfs/dbraw/zinc/80/93/98/631809398.db2.gz JSQODZDIEUJVQM-JTQLQIEISA-N 0 3 258.724 2.012 20 10 CECDHN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([O-])cs1 ZINC000807694563 631862919 /nfs/dbraw/zinc/86/29/19/631862919.db2.gz MUTWFBFRGYSXIJ-GHMZBOCLSA-N 0 3 280.393 2.153 20 10 CECDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717012 632005078 /nfs/dbraw/zinc/00/50/78/632005078.db2.gz BRDCSOWUGIKDBH-ONGXEEELSA-N 0 3 273.760 2.012 20 10 CECDHN CC[C@@H](NCc1cn(C)nc1OC)c1ccccc1O ZINC000898026386 632020312 /nfs/dbraw/zinc/02/03/12/632020312.db2.gz VSFMGSLUFZNKGO-CYBMUJFWSA-N 0 3 275.352 2.375 20 10 CECDHN CN(C)C(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000840177782 632092152 /nfs/dbraw/zinc/09/21/52/632092152.db2.gz LQKSDRUEFNEZOM-AWEZNQCLSA-N 0 3 298.386 2.456 20 10 CECDHN CN(C)C(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000840177782 632092160 /nfs/dbraw/zinc/09/21/60/632092160.db2.gz LQKSDRUEFNEZOM-AWEZNQCLSA-N 0 3 298.386 2.456 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809752727 632140231 /nfs/dbraw/zinc/14/02/31/632140231.db2.gz WASCWFAILKWRRN-LBPRGKRZSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809752727 632140234 /nfs/dbraw/zinc/14/02/34/632140234.db2.gz WASCWFAILKWRRN-LBPRGKRZSA-N 0 3 285.771 2.257 20 10 CECDHN CCOCCOCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000927087416 632455826 /nfs/dbraw/zinc/45/58/26/632455826.db2.gz NQHRQQSJKGZBPC-NSHDSACASA-N 0 3 271.332 2.235 20 10 CECDHN CC(C)[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000813328868 632667863 /nfs/dbraw/zinc/66/78/63/632667863.db2.gz VDIOOMPNJONGAZ-RYUDHWBXSA-N 0 3 277.286 2.430 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1n1cccn1 ZINC000815167180 632975752 /nfs/dbraw/zinc/97/57/52/632975752.db2.gz TVDIMSRGWZABCW-FVQBIDKESA-N 0 3 287.363 2.097 20 10 CECDHN CC[C@@H]([NH2+]C1CCNCC1)c1ccc(F)cc1[O-] ZINC000817936747 633788097 /nfs/dbraw/zinc/78/80/97/633788097.db2.gz QWUCRUZZGVFZDT-CYBMUJFWSA-N 0 3 252.333 2.324 20 10 CECDHN C[C@@H](NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984265 633825813 /nfs/dbraw/zinc/82/58/13/633825813.db2.gz PJOUPVNBJDCPSF-SNVBAGLBSA-N 0 3 279.340 2.093 20 10 CECDHN C[C@@H]([NH2+]CCCNC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984265 633825822 /nfs/dbraw/zinc/82/58/22/633825822.db2.gz PJOUPVNBJDCPSF-SNVBAGLBSA-N 0 3 279.340 2.093 20 10 CECDHN C[C@H]([NH2+]CCCNC1CC1)c1ccc(F)cc1[O-] ZINC000817984711 633828550 /nfs/dbraw/zinc/82/85/50/633828550.db2.gz XQOWHCZFXPNMJZ-JTQLQIEISA-N 0 3 252.333 2.324 20 10 CECDHN C[C@H](NCCC[NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817984781 633828821 /nfs/dbraw/zinc/82/88/21/633828821.db2.gz ZWXZCMQDOKQYTQ-VIFPVBQESA-N 0 3 270.323 2.463 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902787266 634833088 /nfs/dbraw/zinc/83/30/88/634833088.db2.gz YTTHJJUMWSESME-QZPUYBJASA-N 0 3 259.349 2.295 20 10 CECDHN COc1ccc(N2CCN(C[C@H](OC)C3CC3)CC2)cc1 ZINC000822569999 634945352 /nfs/dbraw/zinc/94/53/52/634945352.db2.gz DGVVEHOVXBFCSS-KRWDZBQOSA-N 0 3 290.407 2.242 20 10 CECDHN [O-]c1cccc(Cl)c1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841075811 635031618 /nfs/dbraw/zinc/03/16/18/635031618.db2.gz XQJMQDAZAHLREM-LLVKDONJSA-N 0 3 276.714 2.132 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000903343187 635071510 /nfs/dbraw/zinc/07/15/10/635071510.db2.gz NJCZFRCMHLGPMO-OCCSQVGLSA-N 0 3 296.386 2.293 20 10 CECDHN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000903406158 635101772 /nfs/dbraw/zinc/10/17/72/635101772.db2.gz GZZFINDKWOMNGD-TVQRCGJNSA-N 0 3 253.317 2.343 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124199 635572856 /nfs/dbraw/zinc/57/28/56/635572856.db2.gz JXXKDRHSMKKKFK-UFBFGSQYSA-N 0 3 293.260 2.276 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124199 635572859 /nfs/dbraw/zinc/57/28/59/635572859.db2.gz JXXKDRHSMKKKFK-UFBFGSQYSA-N 0 3 293.260 2.276 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124606 635572931 /nfs/dbraw/zinc/57/29/31/635572931.db2.gz TZSAZKXYJZJPMQ-ZYHUDNBSSA-N 0 3 275.270 2.137 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124606 635572938 /nfs/dbraw/zinc/57/29/38/635572938.db2.gz TZSAZKXYJZJPMQ-ZYHUDNBSSA-N 0 3 275.270 2.137 20 10 CECDHN CC1(C)C[NH2+]C[C@@H]1NCc1c([O-])cccc1Cl ZINC000904464230 635636334 /nfs/dbraw/zinc/63/63/34/635636334.db2.gz UKKCWZWVJYMRLV-LBPRGKRZSA-N 0 3 254.761 2.133 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827289796 636282975 /nfs/dbraw/zinc/28/29/75/636282975.db2.gz DCDJLRPROZBNPK-OEQZANGBSA-N 0 3 272.392 2.223 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000827365027 636304787 /nfs/dbraw/zinc/30/47/87/636304787.db2.gz IZRLVYWALDFTEY-QWHCGFSZSA-N 0 3 297.782 2.447 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834597489 637886521 /nfs/dbraw/zinc/88/65/21/637886521.db2.gz GGLLTAGXFZHHQO-NEPJUHHUSA-N 0 3 267.394 2.083 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c([O-])c1 ZINC000834850403 637970507 /nfs/dbraw/zinc/97/05/07/637970507.db2.gz LXWZMWNTEXMLOG-GJZGRUSLSA-N 0 3 292.423 2.198 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000834909427 637984981 /nfs/dbraw/zinc/98/49/81/637984981.db2.gz RLWKKRBDSSANQA-RDGWCUKFSA-N 0 3 292.354 2.338 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000876817881 650444997 /nfs/dbraw/zinc/44/49/97/650444997.db2.gz OHKSANDOZZQWKN-GJZGRUSLSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000876817881 650445002 /nfs/dbraw/zinc/44/50/02/650445002.db2.gz OHKSANDOZZQWKN-GJZGRUSLSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1nn(C)c(C)c1CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876909196 650482793 /nfs/dbraw/zinc/48/27/93/650482793.db2.gz XRTJNFUSFKTWOL-UHFFFAOYSA-N 0 3 273.380 2.383 20 10 CECDHN COCCOCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167442916 639517346 /nfs/dbraw/zinc/51/73/46/639517346.db2.gz LNXAJKJBWANROG-ZDUSSCGKSA-N 0 3 267.369 2.486 20 10 CECDHN CCN(CC)C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607203 639555887 /nfs/dbraw/zinc/55/58/87/639555887.db2.gz KFTKWDKXDMIOIZ-NSHDSACASA-N 0 3 254.349 2.351 20 10 CECDHN CC[C@@H](C)NC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936272 639591132 /nfs/dbraw/zinc/59/11/32/639591132.db2.gz HYNJZFZFWNNGGL-ZIAGYGMSSA-N 0 3 291.439 2.454 20 10 CECDHN Cc1cc([O-])c(CN[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000841043814 639630845 /nfs/dbraw/zinc/63/08/45/639630845.db2.gz WTFLYKHZEHVFIL-SNVBAGLBSA-N 0 3 254.761 2.196 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105307 639671630 /nfs/dbraw/zinc/67/16/30/639671630.db2.gz JOTHAELHZPGYQN-CQSZACIVSA-N 0 3 266.772 2.374 20 10 CECDHN COC(=O)c1[nH]c(C[NH2+]Cc2ccccc2[O-])cc1C ZINC000876996342 650524184 /nfs/dbraw/zinc/52/41/84/650524184.db2.gz TXKGRRGVWBDOMV-UHFFFAOYSA-N 0 3 274.320 2.105 20 10 CECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@]1(O)CCOC1 ZINC000842920951 640221558 /nfs/dbraw/zinc/22/15/58/640221558.db2.gz UKQTUCQXFLRAEZ-DYVFJYSZSA-N 0 3 291.391 2.147 20 10 CECDHN CN(Cc1c([O-])cccc1Cl)C1CC[NH2+]CC1 ZINC000843046142 640250921 /nfs/dbraw/zinc/25/09/21/640250921.db2.gz OJMVZJRPPSWHLB-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000914432984 640404101 /nfs/dbraw/zinc/40/41/01/640404101.db2.gz IQGDKLYPLQRFKE-GJZGRUSLSA-N 0 3 277.364 2.306 20 10 CECDHN CCC[C@@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843365848 640406419 /nfs/dbraw/zinc/40/64/19/640406419.db2.gz YNRZIKFGCZKZPC-CQSZACIVSA-N 0 3 294.370 2.308 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2CC[NH3+])c1[O-] ZINC000843384953 640412818 /nfs/dbraw/zinc/41/28/18/640412818.db2.gz LQJFMLCVWIXFAD-CQSZACIVSA-N 0 3 294.370 2.437 20 10 CECDHN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(C)C1 ZINC000843421354 640423139 /nfs/dbraw/zinc/42/31/39/640423139.db2.gz CENKELKPTNEAGI-AWEZNQCLSA-N 0 3 266.360 2.447 20 10 CECDHN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCN(C)C1 ZINC000843421354 640423143 /nfs/dbraw/zinc/42/31/43/640423143.db2.gz CENKELKPTNEAGI-AWEZNQCLSA-N 0 3 266.360 2.447 20 10 CECDHN COc1cc(C)cc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000844754746 640827573 /nfs/dbraw/zinc/82/75/73/640827573.db2.gz YQHDVFUGLTZACY-PHIMTYICSA-N 0 3 269.291 2.406 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756295 640828920 /nfs/dbraw/zinc/82/89/20/640828920.db2.gz JXAHIFUOVGGOAF-JSGCOSHPSA-N 0 3 297.301 2.049 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756295 640828924 /nfs/dbraw/zinc/82/89/24/640828924.db2.gz JXAHIFUOVGGOAF-JSGCOSHPSA-N 0 3 297.301 2.049 20 10 CECDHN COc1ccc(N(C)CCN(C)Cc2[nH]ncc2C)cc1 ZINC000846051056 641164866 /nfs/dbraw/zinc/16/48/66/641164866.db2.gz BEGPSDPJDGTGLD-UHFFFAOYSA-N 0 3 288.395 2.295 20 10 CECDHN CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000846096684 641181168 /nfs/dbraw/zinc/18/11/68/641181168.db2.gz JZQBHLZCOSEIEF-NSHDSACASA-N 0 3 296.798 2.312 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846205512 641220467 /nfs/dbraw/zinc/22/04/67/641220467.db2.gz HTCFKGFJSBZDRU-NWDGAFQWSA-N 0 3 274.364 2.054 20 10 CECDHN C[C@H]([NH2+]CCc1ccnn1C)c1cc(F)ccc1[O-] ZINC000184025829 641828973 /nfs/dbraw/zinc/82/89/73/641828973.db2.gz CPFWTJQGOKEODJ-JTQLQIEISA-N 0 3 263.316 2.158 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@@]3(CCOC3)C2)c1 ZINC000184286050 641852005 /nfs/dbraw/zinc/85/20/05/641852005.db2.gz MFTNHEZLUANXCN-INIZCTEOSA-N 0 3 277.364 2.000 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848564421 642056204 /nfs/dbraw/zinc/05/62/04/642056204.db2.gz NDFNKNCBLHAHFJ-RYUDHWBXSA-N 0 3 286.379 2.037 20 10 CECDHN COC1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000186147246 642072659 /nfs/dbraw/zinc/07/26/59/642072659.db2.gz UMMRRVQBMCVCOL-LLVKDONJSA-N 0 3 283.343 2.378 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@H]1C ZINC000877467004 650732809 /nfs/dbraw/zinc/73/28/09/650732809.db2.gz VDZYZJHKKPOWBW-RYUDHWBXSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@H]1C ZINC000877467004 650732813 /nfs/dbraw/zinc/73/28/13/650732813.db2.gz VDZYZJHKKPOWBW-RYUDHWBXSA-N 0 3 263.337 2.084 20 10 CECDHN CCCN1CCCN(Cc2c(C)cccc2O)CC1=O ZINC000877470250 650735640 /nfs/dbraw/zinc/73/56/40/650735640.db2.gz AEHKOBVEXREXHK-UHFFFAOYSA-N 0 3 276.380 2.145 20 10 CECDHN COc1ccc(N2CC[C@H](NCc3ccccn3)C2)cc1 ZINC000850345757 642674274 /nfs/dbraw/zinc/67/42/74/642674274.db2.gz JTCJCSRQHIHBAZ-HNNXBMFYSA-N 0 3 283.375 2.459 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1cnccc1C ZINC000850355017 642679995 /nfs/dbraw/zinc/67/99/95/642679995.db2.gz AZLXNVRRDCRMRP-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN CCO[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000850360500 642682409 /nfs/dbraw/zinc/68/24/09/642682409.db2.gz JVHSHNBDGNPPPS-XYPYZODXSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000850367917 642684308 /nfs/dbraw/zinc/68/43/08/642684308.db2.gz RXGQFPGVCYVXFH-LLVKDONJSA-N 0 3 263.337 2.202 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545292 642747149 /nfs/dbraw/zinc/74/71/49/642747149.db2.gz ABTVTZZODYUBDV-ONGXEEELSA-N 0 3 282.771 2.283 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)c([O-])c1 ZINC000877589701 650803452 /nfs/dbraw/zinc/80/34/52/650803452.db2.gz JQNBEBZRZKWXAR-YPMHNXCESA-N 0 3 271.307 2.339 20 10 CECDHN C[C@@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1[O-] ZINC000922330691 643034559 /nfs/dbraw/zinc/03/45/59/643034559.db2.gz YRNBFCICXAEOBT-LLVKDONJSA-N 0 3 263.316 2.409 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000877609264 650812397 /nfs/dbraw/zinc/81/23/97/650812397.db2.gz JBBCLEHGJYWMPO-UHFFFAOYSA-N 0 3 261.365 2.438 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(OC)CCSC1 ZINC000922572250 643131246 /nfs/dbraw/zinc/13/12/46/643131246.db2.gz SXKSTGDZORYCFP-CQSZACIVSA-N 0 3 283.393 2.013 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877623110 650818877 /nfs/dbraw/zinc/81/88/77/650818877.db2.gz IVTFPQRRMUHPQD-FVQBIDKESA-N 0 3 293.407 2.356 20 10 CECDHN CC1(C)O[C@@H]2C[C@@H]([NH2+]Cc3ccccc3[O-])C[C@@H]2O1 ZINC000922876440 643302752 /nfs/dbraw/zinc/30/27/52/643302752.db2.gz XNNDQWUAUGLHEU-DEZZGGKRSA-N 0 3 263.337 2.164 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([O-])c1 ZINC000877657880 650837174 /nfs/dbraw/zinc/83/71/74/650837174.db2.gz PFRKGFNWWKEVMP-GOEBONIOSA-N 0 3 261.365 2.295 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([O-])c1 ZINC000877657880 650837179 /nfs/dbraw/zinc/83/71/79/650837179.db2.gz PFRKGFNWWKEVMP-GOEBONIOSA-N 0 3 261.365 2.295 20 10 CECDHN CCOc1cccc(CN2CC3(C2)CCCOC3)c1O ZINC000839137668 644171161 /nfs/dbraw/zinc/17/11/61/644171161.db2.gz DPTNXTBFXFQCTI-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000839191236 644185019 /nfs/dbraw/zinc/18/50/19/644185019.db2.gz HEALGHGHNSVYPA-AAEUAGOBSA-N 0 3 265.378 2.481 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000839191236 644185022 /nfs/dbraw/zinc/18/50/22/644185022.db2.gz HEALGHGHNSVYPA-AAEUAGOBSA-N 0 3 265.378 2.481 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000877755880 650899414 /nfs/dbraw/zinc/89/94/14/650899414.db2.gz QFRCSNIFYXWNIC-MLGOLLRUSA-N 0 3 279.380 2.484 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000877758275 650900079 /nfs/dbraw/zinc/90/00/79/650900079.db2.gz QFRCSNIFYXWNIC-BLLLJJGKSA-N 0 3 279.380 2.484 20 10 CECDHN COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1C ZINC000877758229 650900123 /nfs/dbraw/zinc/90/01/23/650900123.db2.gz OIHNQQSAUJVGSN-NSHDSACASA-N 0 3 288.347 2.368 20 10 CECDHN C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758117 650900267 /nfs/dbraw/zinc/90/02/67/650900267.db2.gz JNEJWZZLYUNATF-RWMBFGLXSA-N 0 3 276.380 2.490 20 10 CECDHN C[C@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000877757966 650900308 /nfs/dbraw/zinc/90/03/08/650900308.db2.gz AXYFYPUTRJKCJI-RYUDHWBXSA-N 0 3 297.420 2.256 20 10 CECDHN Cc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c(O)c1O ZINC000855163591 644262495 /nfs/dbraw/zinc/26/24/95/644262495.db2.gz DLIVDERNGYSFEX-NSHDSACASA-N 0 3 292.379 2.009 20 10 CECDHN COc1cccc(CNCc2cc(C)ccc2O)n1 ZINC000113336365 644356862 /nfs/dbraw/zinc/35/68/62/644356862.db2.gz BFXJISKBBQXMKZ-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756344289 644632379 /nfs/dbraw/zinc/63/23/79/644632379.db2.gz SXLLIYFCAQYRFV-NGZCFLSTSA-N 0 3 253.317 2.440 20 10 CECDHN COCCN(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756528723 644659003 /nfs/dbraw/zinc/65/90/03/644659003.db2.gz OZNJGXDDDMKMQN-DGCLKSJQSA-N 0 3 296.386 2.247 20 10 CECDHN C[C@H](CCO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756584995 644672768 /nfs/dbraw/zinc/67/27/68/644672768.db2.gz IDVFHWQYDWHGLW-NGZCFLSTSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@H]([NH2+]CCCNc1ncccn1)c1cc(F)ccc1[O-] ZINC000756643530 644678260 /nfs/dbraw/zinc/67/82/60/644678260.db2.gz VLRYKWKFFJYTDW-NSHDSACASA-N 0 3 290.342 2.474 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756773631 644691688 /nfs/dbraw/zinc/69/16/88/644691688.db2.gz AMDAVXGQSUOMTN-IACUBPJLSA-N 0 3 276.380 2.266 20 10 CECDHN Cc1cc(Br)c([O-])c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000843051999 644759082 /nfs/dbraw/zinc/75/90/82/644759082.db2.gz NXVAPESVAZXWPH-VIFPVBQESA-N 0 3 287.201 2.242 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2[O-] ZINC000757656498 644831904 /nfs/dbraw/zinc/83/19/04/644831904.db2.gz IXCQIBOMCZNEQF-CMPLNLGQSA-N 0 3 290.342 2.351 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2OCC)c([O-])c1 ZINC000759172290 644991527 /nfs/dbraw/zinc/99/15/27/644991527.db2.gz HLMKIUAHHDRULP-HOCLYGCPSA-N 0 3 295.379 2.075 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@@H]2CCCO2)cc1F ZINC000858087147 645055887 /nfs/dbraw/zinc/05/58/87/645055887.db2.gz UNBMEVJYFYGHOO-NSHDSACASA-N 0 3 270.323 2.299 20 10 CECDHN CN(C)c1cc(F)c(CNCC2(O)CCCC2)cc1F ZINC000858133266 645070023 /nfs/dbraw/zinc/07/00/23/645070023.db2.gz MONDLNXRZIAQSR-UHFFFAOYSA-N 0 3 284.350 2.426 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@@H](O)C2CCC2)cc1F ZINC000858174531 645080256 /nfs/dbraw/zinc/08/02/56/645080256.db2.gz TUTYTVGQBKQFOE-OAHLLOKOSA-N 0 3 284.350 2.281 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000858472083 645172560 /nfs/dbraw/zinc/17/25/60/645172560.db2.gz FRZNOMHHKPBIAT-JQWIXIFHSA-N 0 3 261.321 2.305 20 10 CECDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCC1 ZINC000768448779 646123757 /nfs/dbraw/zinc/12/37/57/646123757.db2.gz WNDDHWWHAZKSFR-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCC1 ZINC000768448779 646123761 /nfs/dbraw/zinc/12/37/61/646123761.db2.gz WNDDHWWHAZKSFR-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN CC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464175 646126742 /nfs/dbraw/zinc/12/67/42/646126742.db2.gz OARHNSSODOJADR-GDBMZVCRSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464175 646126746 /nfs/dbraw/zinc/12/67/46/646126746.db2.gz OARHNSSODOJADR-GDBMZVCRSA-N 0 3 277.364 2.440 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC000769450873 646269176 /nfs/dbraw/zinc/26/91/76/646269176.db2.gz ITMXYOSPAZTLRE-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC000769450873 646269178 /nfs/dbraw/zinc/26/91/78/646269178.db2.gz ITMXYOSPAZTLRE-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN CC(C)N(C)C(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000770509291 646400676 /nfs/dbraw/zinc/40/06/76/646400676.db2.gz KQDAYKBBLKHMTQ-UHFFFAOYSA-N 0 3 290.407 2.471 20 10 CECDHN C[C@@](CO)(NCc1ccccc1O)c1cccc(O)c1 ZINC000862431068 646458418 /nfs/dbraw/zinc/45/84/18/646458418.db2.gz CZNWHUWBAUCORW-INIZCTEOSA-N 0 3 273.332 2.095 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(C)CCCOC2)c([O-])c1 ZINC000771897817 646567280 /nfs/dbraw/zinc/56/72/80/646567280.db2.gz YOIQTZAKZPYTEM-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000863547664 646753963 /nfs/dbraw/zinc/75/39/63/646753963.db2.gz RGXLXGCSXXABFV-YWVKMMECSA-N 0 3 270.323 2.462 20 10 CECDHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1cc(F)cc(F)c1[O-] ZINC000863547664 646753966 /nfs/dbraw/zinc/75/39/66/646753966.db2.gz RGXLXGCSXXABFV-YWVKMMECSA-N 0 3 270.323 2.462 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000775522020 646962811 /nfs/dbraw/zinc/96/28/11/646962811.db2.gz HMRPHOBZEAUHGV-DUVNUKRYSA-N 0 3 278.396 2.152 20 10 CECDHN C[C@H]1C[C@H]1NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000864467960 647022474 /nfs/dbraw/zinc/02/24/74/647022474.db2.gz CTVOICJMDQRHMR-OIBJUYFYSA-N 0 3 298.184 2.177 20 10 CECDHN COc1ccc(O)c(CNC(C)(C)c2cnn(C)c2)c1 ZINC000776177489 647032393 /nfs/dbraw/zinc/03/23/93/647032393.db2.gz PSSVYMFCCHMDOA-UHFFFAOYSA-N 0 3 275.352 2.159 20 10 CECDHN CNC(=O)C1(NCc2ccc(OC)c(C)c2)CCCC1 ZINC000779176363 647295066 /nfs/dbraw/zinc/29/50/66/647295066.db2.gz LPVITSOHXIQFAW-UHFFFAOYSA-N 0 3 276.380 2.152 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H](O)C(F)(F)F ZINC000866463033 647795714 /nfs/dbraw/zinc/79/57/14/647795714.db2.gz HCUULPOYJSRHMZ-QOSJWCAFSA-N 0 3 275.270 2.281 20 10 CECDHN CCn1cccc(CNCc2ccc(N(C)C)cc2)c1=O ZINC000788523488 648198318 /nfs/dbraw/zinc/19/83/18/648198318.db2.gz DGIUBDKTRWEKQH-UHFFFAOYSA-N 0 3 285.391 2.224 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000790743651 648443907 /nfs/dbraw/zinc/44/39/07/648443907.db2.gz YHBUYEVPZBZECC-QXEWZRGKSA-N 0 3 280.343 2.146 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnc(N(C)C)s2)c([O-])c1 ZINC000793385644 648749012 /nfs/dbraw/zinc/74/90/12/648749012.db2.gz DTZCYTPSNOCQIQ-UHFFFAOYSA-N 0 3 293.392 2.213 20 10 CECDHN COc1ccc(O)c(CNCc2ccc(OC)nc2)c1 ZINC000020186577 649735277 /nfs/dbraw/zinc/73/52/77/649735277.db2.gz AHYCMXDCUGVMLP-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN CCCNC(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879649769 651335323 /nfs/dbraw/zinc/33/53/23/651335323.db2.gz GREUXCDVQVEROO-LBPRGKRZSA-N 0 3 264.369 2.349 20 10 CECDHN COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879649015 651335329 /nfs/dbraw/zinc/33/53/29/651335329.db2.gz HLROBAHRULPZJD-ZYHUDNBSSA-N 0 3 291.347 2.279 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccccc1[O-] ZINC000879653937 651336312 /nfs/dbraw/zinc/33/63/12/651336312.db2.gz YMUBGQLQYIXVEP-STQMWFEESA-N 0 3 276.380 2.301 20 10 CECDHN C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350805 651423310 /nfs/dbraw/zinc/42/33/10/651423310.db2.gz CGBVNTLKENAFBZ-CABZTGNLSA-N 0 3 254.761 2.215 20 10 CECDHN COc1cccc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000130008469 652202930 /nfs/dbraw/zinc/20/29/30/652202930.db2.gz HMWWVZCWHQNRGI-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000130008469 652202934 /nfs/dbraw/zinc/20/29/34/652202934.db2.gz HMWWVZCWHQNRGI-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCCCC1)c1ccccc1[O-] ZINC000135719584 652980205 /nfs/dbraw/zinc/98/02/05/652980205.db2.gz ZSBSSNKSRMUHLQ-LBPRGKRZSA-N 0 3 262.353 2.055 20 10 CECDHN CC(C)CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000135812057 652993344 /nfs/dbraw/zinc/99/33/44/652993344.db2.gz VFFHRZPPWAWOHM-ZDUSSCGKSA-N 0 3 277.412 2.175 20 10 CECDHN C[NH2+]C1CN(Cc2cccc(-c3ccccc3)c2[O-])C1 ZINC001204714864 806757480 /nfs/dbraw/zinc/75/74/80/806757480.db2.gz ZQNAVDPUXWUAGC-UHFFFAOYSA-N 0 3 268.360 2.463 20 10 CECDHN CC(=O)N1CC[C@@H]([N@@H+](Cc2cc(F)ccc2[O-])C(C)C)C1 ZINC001140059960 802552248 /nfs/dbraw/zinc/55/22/48/802552248.db2.gz CUIMJFWXTXGHGB-OAHLLOKOSA-N 0 3 294.370 2.363 20 10 CECDHN CC(=O)N1CC[C@@H]([N@H+](Cc2cc(F)ccc2[O-])C(C)C)C1 ZINC001140059960 802552251 /nfs/dbraw/zinc/55/22/51/802552251.db2.gz CUIMJFWXTXGHGB-OAHLLOKOSA-N 0 3 294.370 2.363 20 10 CECDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(Cl)cc1[O-] ZINC001209873681 802584321 /nfs/dbraw/zinc/58/43/21/802584321.db2.gz FCRNBDDZMDGZHT-AOOOYVTPSA-N 0 3 254.761 2.228 20 10 CECDHN C[C@@]1([NH3+])CCN(Cc2c([O-])cccc2Br)C1 ZINC000706867025 802847214 /nfs/dbraw/zinc/84/72/14/802847214.db2.gz LQYUESCEZLLGAK-GFCCVEGCSA-N 0 3 285.185 2.078 20 10 CECDHN COC[C@@H](CC[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000694239159 803522280 /nfs/dbraw/zinc/52/22/80/803522280.db2.gz XPANRNQTVGDLIS-VXGBXAGGSA-N 0 3 253.342 2.094 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H](COC)OC)c1ccccc1[O-] ZINC000694313410 803530115 /nfs/dbraw/zinc/53/01/15/803530115.db2.gz UYEHGLVEJVXINH-JSGCOSHPSA-N 0 3 267.369 2.484 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])CC1 ZINC001140954471 803627923 /nfs/dbraw/zinc/62/79/23/803627923.db2.gz SWUMQMCCRCZEJI-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])CC1 ZINC001140954471 803627926 /nfs/dbraw/zinc/62/79/26/803627926.db2.gz SWUMQMCCRCZEJI-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN Cc1cc(CN2CC[C@@]23CCOC3)ccc1N(C)C ZINC001117990517 814973342 /nfs/dbraw/zinc/97/33/42/814973342.db2.gz YVDFXPMPOVVLAJ-INIZCTEOSA-N 0 3 260.381 2.426 20 10 CECDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001235998746 807917361 /nfs/dbraw/zinc/91/73/61/807917361.db2.gz ZICVQWMUSHNBHM-NOZJJQNGSA-N 0 3 297.196 2.078 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001203558350 808728316 /nfs/dbraw/zinc/72/83/16/808728316.db2.gz HPTIOFJGGOPIHO-CYBMUJFWSA-N 0 3 269.291 2.392 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001203558350 808728318 /nfs/dbraw/zinc/72/83/18/808728318.db2.gz HPTIOFJGGOPIHO-CYBMUJFWSA-N 0 3 269.291 2.392 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C(=O)C1)c1ccccc1[O-] ZINC001172003190 815261438 /nfs/dbraw/zinc/26/14/38/815261438.db2.gz SQVVFLJUQZVSDN-NEPJUHHUSA-N 0 3 274.364 2.196 20 10 CECDHN C[C@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC000708514884 809944694 /nfs/dbraw/zinc/94/46/94/809944694.db2.gz MTBGHKZOJSMKRV-SECBINFHSA-N 0 3 258.312 2.100 20 10 CECDHN COC[C@H](CC[NH2+][C@H](C)c1cc(F)ccc1[O-])OC ZINC000710667688 810002895 /nfs/dbraw/zinc/00/28/95/810002895.db2.gz IGGUZHYUNHPWFQ-PWSUYJOCSA-N 0 3 271.332 2.233 20 10 CECDHN CC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC001169580916 811588823 /nfs/dbraw/zinc/58/88/23/811588823.db2.gz ZZWPPQWLTCLDSK-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H]1C[C@@H]([NH2+]Cc2cccc(O)c2[O-])CCO1 ZINC001170180837 812327135 /nfs/dbraw/zinc/32/71/35/812327135.db2.gz CLGSLLDRQPMOGT-RYUDHWBXSA-N 0 3 251.326 2.145 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000392461489 813303935 /nfs/dbraw/zinc/30/39/35/813303935.db2.gz OZHSZDLZLHHZGM-BDAKNGLRSA-N 0 3 276.340 2.239 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CCOC)COC)c1ccccc1[O-] ZINC000394096663 813336273 /nfs/dbraw/zinc/33/62/73/813336273.db2.gz RDWSQKCMTLFDNI-GXTWGEPZSA-N 0 3 267.369 2.484 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCC2(CO)CC2)c1[O-] ZINC000395870316 813547239 /nfs/dbraw/zinc/54/72/39/813547239.db2.gz ZZNWXVYUJLWXFH-UHFFFAOYSA-N 0 3 285.771 2.306 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)C1CCC1 ZINC000399192481 813702468 /nfs/dbraw/zinc/70/24/68/813702468.db2.gz QPBJJJGNFGALDJ-INIZCTEOSA-N 0 3 289.423 2.229 20 10 CECDHN CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173635466 815773491 /nfs/dbraw/zinc/77/34/91/815773491.db2.gz DLYRWUXEPRRFGE-DGCLKSJQSA-N 0 3 293.363 2.309 20 10 CECDHN CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173636919 815775227 /nfs/dbraw/zinc/77/52/27/815775227.db2.gz PSGAUEIGUVCDQE-AAEUAGOBSA-N 0 3 293.363 2.309 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@@](C)(O)C2)c(OC)c1 ZINC001138386545 815786371 /nfs/dbraw/zinc/78/63/71/815786371.db2.gz QNJBZQUGQDCYIP-QGZVFWFLSA-N 0 3 292.423 2.498 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC001140055092 816178629 /nfs/dbraw/zinc/17/86/29/816178629.db2.gz HYBNBMIRQXCDTF-MFKMUULPSA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC001140055092 816178632 /nfs/dbraw/zinc/17/86/32/816178632.db2.gz HYBNBMIRQXCDTF-MFKMUULPSA-N 0 3 281.327 2.305 20 10 CECDHN CCC(=O)N(C)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060020 816181021 /nfs/dbraw/zinc/18/10/21/816181021.db2.gz GZSZDLHDLIROST-UHFFFAOYSA-N 0 3 294.370 2.364 20 10 CECDHN Cc1c(O)ccc(CN2CC(c3cccnc3)C2)c1O ZINC001140747406 816340641 /nfs/dbraw/zinc/34/06/41/816340641.db2.gz BVYDFMLQTTZEIH-UHFFFAOYSA-N 0 3 270.332 2.401 20 10 CECDHN CCN(CC)c1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001140850106 816383362 /nfs/dbraw/zinc/38/33/62/816383362.db2.gz DPWBFWWYIKMBOR-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H](C(C)=O)C2)c(OC)c1 ZINC001141029584 816450412 /nfs/dbraw/zinc/45/04/12/816450412.db2.gz WQNHZOTXQXNEII-LBPRGKRZSA-N 0 3 293.363 2.210 20 10 CECDHN CCO[C@@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031245 816451408 /nfs/dbraw/zinc/45/14/08/816451408.db2.gz ZZWOQNPUNLBWJA-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN CCO[C@@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141031245 816451415 /nfs/dbraw/zinc/45/14/15/816451415.db2.gz ZZWOQNPUNLBWJA-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc2c(c1)OCCN2C ZINC001141142660 816485730 /nfs/dbraw/zinc/48/57/30/816485730.db2.gz VZZXDFIRXRGGCM-UONOGXRCSA-N 0 3 289.423 2.040 20 10 CECDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])c1ccsc1 ZINC000077460790 343920898 /nfs/dbraw/zinc/92/08/98/343920898.db2.gz USSVOQQICZTOMM-AWEZNQCLSA-N 0 3 263.362 2.451 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000093482923 344225701 /nfs/dbraw/zinc/22/57/01/344225701.db2.gz NTZMHZATWDNPCR-WCQYABFASA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000093482923 344225703 /nfs/dbraw/zinc/22/57/03/344225703.db2.gz NTZMHZATWDNPCR-WCQYABFASA-N 0 3 265.353 2.136 20 10 CECDHN Cc1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000362044256 344809232 /nfs/dbraw/zinc/80/92/32/344809232.db2.gz YWRDGEJHYCFIOX-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN C[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007354335 538774808 /nfs/dbraw/zinc/77/48/08/538774808.db2.gz SHEFDQSGJSGPIE-AWEZNQCLSA-N 0 3 289.423 2.243 20 10 CECDHN COc1ccc(CN[C@@H](C)Cn2ccnc2)cc1C ZINC000035275342 538766383 /nfs/dbraw/zinc/76/63/83/538766383.db2.gz FOPXPUCQYRXFDR-ZDUSSCGKSA-N 0 3 259.353 2.378 20 10 CECDHN COC(=O)c1cc(CN(C)Cc2ccccc2O)c[nH]1 ZINC000091974552 364072505 /nfs/dbraw/zinc/07/25/05/364072505.db2.gz BPIYKRMSALWWKR-UHFFFAOYSA-N 0 3 274.320 2.139 20 10 CECDHN CC(=O)N(C)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000092538780 364079692 /nfs/dbraw/zinc/07/96/92/364079692.db2.gz CSDJXPNYLUCTJC-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@]2(C)CCOC2)c1[O-] ZINC000169092839 367364203 /nfs/dbraw/zinc/36/42/03/367364203.db2.gz MTTFCPHAPMVNGL-ZDUSSCGKSA-N 0 3 271.744 2.323 20 10 CECDHN Cc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2[O-])no1 ZINC000171925738 367640305 /nfs/dbraw/zinc/64/03/05/367640305.db2.gz ATZPOUNJVICOBO-UHFFFAOYSA-N 0 3 289.335 2.149 20 10 CECDHN Cc1cc(NC(=O)CC[N@H+](C)Cc2ccccc2[O-])no1 ZINC000171925738 367640311 /nfs/dbraw/zinc/64/03/11/367640311.db2.gz ATZPOUNJVICOBO-UHFFFAOYSA-N 0 3 289.335 2.149 20 10 CECDHN COC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180198847 368371783 /nfs/dbraw/zinc/37/17/83/368371783.db2.gz SCYIPJXREOGVIC-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180198847 368371787 /nfs/dbraw/zinc/37/17/87/368371787.db2.gz SCYIPJXREOGVIC-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN C[C@H]1C[C@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196437 368372011 /nfs/dbraw/zinc/37/20/11/368372011.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 0 3 266.360 2.446 20 10 CECDHN C[C@H]1C[C@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196437 368372012 /nfs/dbraw/zinc/37/20/12/368372012.db2.gz NFFSJWFTAWWQTR-SMDDNHRTSA-N 0 3 266.360 2.446 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c1 ZINC000179895467 368357349 /nfs/dbraw/zinc/35/73/49/368357349.db2.gz LOLMQXYCROKZRG-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CC(=O)OC)c1 ZINC000179895467 368357350 /nfs/dbraw/zinc/35/73/50/368357350.db2.gz LOLMQXYCROKZRG-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN COC(=O)C[C@@H]1CSCCN1Cc1cccc(C)c1O ZINC000180401417 368379433 /nfs/dbraw/zinc/37/94/33/368379433.db2.gz XSIYZSLYRQTKSZ-CYBMUJFWSA-N 0 3 295.404 2.181 20 10 CECDHN CC(C)NC(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000181270416 368439088 /nfs/dbraw/zinc/43/90/88/368439088.db2.gz YFTRVFXAQXNITG-SNVBAGLBSA-N 0 3 268.332 2.097 20 10 CECDHN CCOCc1cc(CN[C@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000189328180 369498656 /nfs/dbraw/zinc/49/86/56/369498656.db2.gz NCCGSAJJAKZNGH-JKSUJKDBSA-N 0 3 293.407 2.481 20 10 CECDHN CN(C)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCCC1 ZINC000226582976 370347141 /nfs/dbraw/zinc/34/71/41/370347141.db2.gz PHUIJBISFQVCPF-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248876500 371261608 /nfs/dbraw/zinc/26/16/08/371261608.db2.gz WCHMKTPZKPUJMS-NOLJZWGESA-N 0 3 289.375 2.474 20 10 CECDHN CC[C@@H](C(=O)NCc1ccccc1O)N(CC)CC ZINC000269157869 372361317 /nfs/dbraw/zinc/36/13/17/372361317.db2.gz SSTQFDNNYSMMHV-ZDUSSCGKSA-N 0 3 264.369 2.129 20 10 CECDHN CCOc1ccc(O)c(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000270441224 372793464 /nfs/dbraw/zinc/79/34/64/372793464.db2.gz AGDAMFJROWMBNM-GFCCVEGCSA-N 0 3 293.285 2.194 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000366449955 373052311 /nfs/dbraw/zinc/05/23/11/373052311.db2.gz FZAVJLWYZCDTCS-PBHICJAKSA-N 0 3 291.391 2.471 20 10 CECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000271160626 373151876 /nfs/dbraw/zinc/15/18/76/373151876.db2.gz DBAYGBRXJCBZLA-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)CC[N@H+](Cc1cc(OC)ccc1[O-])C(C)C ZINC000271880260 373207251 /nfs/dbraw/zinc/20/72/51/373207251.db2.gz UWLRBMSGZNJBTF-UHFFFAOYSA-N 0 3 281.352 2.174 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cc(OC)ccc1[O-])C(C)C ZINC000271880260 373207259 /nfs/dbraw/zinc/20/72/59/373207259.db2.gz UWLRBMSGZNJBTF-UHFFFAOYSA-N 0 3 281.352 2.174 20 10 CECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000272253532 373389135 /nfs/dbraw/zinc/38/91/35/373389135.db2.gz IRWFJPVPEHNUMP-ZDUSSCGKSA-N 0 3 293.338 2.306 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000273069848 373744367 /nfs/dbraw/zinc/74/43/67/373744367.db2.gz GWJINWCYBFBCAB-MRXNPFEDSA-N 0 3 271.360 2.476 20 10 CECDHN C[C@@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@H]1C1CC1 ZINC000273133952 373746491 /nfs/dbraw/zinc/74/64/91/373746491.db2.gz NCZGNVASYIBBNV-JKSUJKDBSA-N 0 3 291.347 2.168 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1C ZINC000273431172 373758448 /nfs/dbraw/zinc/75/84/48/373758448.db2.gz VSPOLYJWTXYKER-HNNXBMFYSA-N 0 3 292.423 2.382 20 10 CECDHN CCc1nc([C@@H](C)N[C@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000273546606 373761735 /nfs/dbraw/zinc/76/17/35/373761735.db2.gz ZLKFYBXBTYUZEW-NXEZZACHSA-N 0 3 290.367 2.493 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591843 373767267 /nfs/dbraw/zinc/76/72/67/373767267.db2.gz PHWHMQNXXGPYBX-IUODEOHRSA-N 0 3 293.407 2.319 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000371412438 373872713 /nfs/dbraw/zinc/87/27/13/373872713.db2.gz GTHMWTQISWVFBJ-SNPRPXQTSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1 ZINC000371412438 373872718 /nfs/dbraw/zinc/87/27/18/373872718.db2.gz GTHMWTQISWVFBJ-SNPRPXQTSA-N 0 3 288.391 2.319 20 10 CECDHN C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccccc1[O-] ZINC000281125099 375357556 /nfs/dbraw/zinc/35/75/56/375357556.db2.gz SOPYOABRXSYZAR-BBATYDOGSA-N 0 3 267.394 2.344 20 10 CECDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(C)cc1[O-] ZINC000281258301 375367813 /nfs/dbraw/zinc/36/78/13/375367813.db2.gz WJMHIOHQOPKERS-ZDUSSCGKSA-N 0 3 297.420 2.319 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CC2([S@@](C)=O)CC2)cc1C ZINC000282344925 375462348 /nfs/dbraw/zinc/46/23/48/375462348.db2.gz MLARUGWDJCKZSK-GOSISDBHSA-N 0 3 267.394 2.010 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000284142256 375817010 /nfs/dbraw/zinc/81/70/10/375817010.db2.gz OUXQRIKYEVZOCE-QWHCGFSZSA-N 0 3 276.380 2.280 20 10 CECDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000284951968 375833430 /nfs/dbraw/zinc/83/34/30/375833430.db2.gz HQVLUZOPBYYPDP-CQSZACIVSA-N 0 3 294.370 2.412 20 10 CECDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000284951968 375833432 /nfs/dbraw/zinc/83/34/32/375833432.db2.gz HQVLUZOPBYYPDP-CQSZACIVSA-N 0 3 294.370 2.412 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000285089190 375836342 /nfs/dbraw/zinc/83/63/42/375836342.db2.gz JXEMMPSXEVCGNX-GFCCVEGCSA-N 0 3 278.396 2.432 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccccc1[O-] ZINC000289752872 376483319 /nfs/dbraw/zinc/48/33/19/376483319.db2.gz QRQGVONXDJKCSF-XNHWPECASA-N 0 3 259.349 2.247 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccccc1[O-] ZINC000289752872 376483328 /nfs/dbraw/zinc/48/33/28/376483328.db2.gz QRQGVONXDJKCSF-XNHWPECASA-N 0 3 259.349 2.247 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000293651306 377678444 /nfs/dbraw/zinc/67/84/44/377678444.db2.gz LHVCMJMHDKWDNB-NWDGAFQWSA-N 0 3 294.395 2.027 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)CC(C)(C)CO)cc1C ZINC000294785758 378019569 /nfs/dbraw/zinc/01/95/69/378019569.db2.gz LOWXRFCSZJTVKH-UHFFFAOYSA-N 0 3 251.370 2.459 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)CC(C)(C)CO)cc1C ZINC000294785758 378019575 /nfs/dbraw/zinc/01/95/75/378019575.db2.gz LOWXRFCSZJTVKH-UHFFFAOYSA-N 0 3 251.370 2.459 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)C(F)F ZINC000294989574 378034448 /nfs/dbraw/zinc/03/44/48/378034448.db2.gz HIMCAUZCVNQYBX-CMPLNLGQSA-N 0 3 259.296 2.195 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000295038221 378036042 /nfs/dbraw/zinc/03/60/42/378036042.db2.gz MKIBFHWQTHRSRI-LBPRGKRZSA-N 0 3 267.369 2.432 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1cccn1)CC2 ZINC000296066565 378408851 /nfs/dbraw/zinc/40/88/51/378408851.db2.gz RVFVPYASRHQQBC-ZDUSSCGKSA-N 0 3 257.337 2.256 20 10 CECDHN COC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCCO1 ZINC000296591185 378584486 /nfs/dbraw/zinc/58/44/86/378584486.db2.gz WVTQBFHEPPNXDO-KCQAQPDRSA-N 0 3 277.364 2.163 20 10 CECDHN Cc1cc(CN[C@@](C)(C(N)=O)C(C)C)ccc1N(C)C ZINC000297829225 378689775 /nfs/dbraw/zinc/68/97/75/378689775.db2.gz ZOHLAZKKXRQNNQ-MRXNPFEDSA-N 0 3 277.412 2.051 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c([O-])c1 ZINC000036932533 260052356 /nfs/dbraw/zinc/05/23/56/260052356.db2.gz MCRDXJBHDAOPEN-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN CC[C@H]([NH2+]C[C@H](COC)OC)c1ccccc1[O-] ZINC000229574331 394477726 /nfs/dbraw/zinc/47/77/26/394477726.db2.gz LNBYNHKAYCFFPL-YPMHNXCESA-N 0 3 253.342 2.094 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000093481693 394667434 /nfs/dbraw/zinc/66/74/34/394667434.db2.gz YAPXTLCBEZVANN-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000093481693 394667438 /nfs/dbraw/zinc/66/74/38/394667438.db2.gz YAPXTLCBEZVANN-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN CCC[N@@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000361056302 394813947 /nfs/dbraw/zinc/81/39/47/394813947.db2.gz YKILXKSSKRHTQV-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN CCC[N@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000361056302 394813952 /nfs/dbraw/zinc/81/39/52/394813952.db2.gz YKILXKSSKRHTQV-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN C[NH+](C)C[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271165236 394750030 /nfs/dbraw/zinc/75/00/30/394750030.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271165236 394750033 /nfs/dbraw/zinc/75/00/33/394750033.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271165236 394750034 /nfs/dbraw/zinc/75/00/34/394750034.db2.gz HEZIVFRBENUBJJ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000281982225 394889905 /nfs/dbraw/zinc/88/99/05/394889905.db2.gz KTVGTXVVGIGUNE-UHFFFAOYSA-N 0 3 279.336 2.027 20 10 CECDHN COc1cccc(C[NH+]2CCC(OC)CC2)c1[O-] ZINC000132145798 394925229 /nfs/dbraw/zinc/92/52/29/394925229.db2.gz HEIDFGOMIPVNBD-UHFFFAOYSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@@H](N[C@@H](C)C(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000135674132 394967753 /nfs/dbraw/zinc/96/77/53/394967753.db2.gz FTBZSNZBBPPLSG-KGLIPLIRSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373216908 395056996 /nfs/dbraw/zinc/05/69/96/395056996.db2.gz OZUWPSOJKGAXGY-HUUCEWRRSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373216908 395056998 /nfs/dbraw/zinc/05/69/98/395056998.db2.gz OZUWPSOJKGAXGY-HUUCEWRRSA-N 0 3 288.391 2.191 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000177220582 395147337 /nfs/dbraw/zinc/14/73/37/395147337.db2.gz LXTIHVUXEWXRKV-MRXNPFEDSA-N 0 3 277.364 2.394 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000177220582 395147344 /nfs/dbraw/zinc/14/73/44/395147344.db2.gz LXTIHVUXEWXRKV-MRXNPFEDSA-N 0 3 277.364 2.394 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@H]2CCN(C(C)C)C2=O)c1 ZINC000182435963 395241882 /nfs/dbraw/zinc/24/18/82/395241882.db2.gz ZYDGHQRSWPXDDU-FZMZJTMJSA-N 0 3 292.379 2.061 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293653567 395244651 /nfs/dbraw/zinc/24/46/51/395244651.db2.gz ISOPEZIACHNJDO-OLZOCXBDSA-N 0 3 267.369 2.057 20 10 CECDHN COCCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179578102 395197035 /nfs/dbraw/zinc/19/70/35/395197035.db2.gz NPRQZPPXBDGJJV-UHFFFAOYSA-N 0 3 279.380 2.410 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1[O-] ZINC000293052768 395215858 /nfs/dbraw/zinc/21/58/58/395215858.db2.gz RRHQFAPPKBDTGE-WBMJQRKESA-N 0 3 279.380 2.432 20 10 CECDHN CCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000183477083 395257832 /nfs/dbraw/zinc/25/78/32/395257832.db2.gz DUVPGHXOLNVERI-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN CCCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000183477083 395257835 /nfs/dbraw/zinc/25/78/35/395257835.db2.gz DUVPGHXOLNVERI-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000193889612 395417729 /nfs/dbraw/zinc/41/77/29/395417729.db2.gz OPLQBBVUSVXUJV-GRYCIOLGSA-N 0 3 293.363 2.393 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000529682972 395431563 /nfs/dbraw/zinc/43/15/63/395431563.db2.gz YCNUJHNQUGVKMR-TYILLQQXSA-N 0 3 279.405 2.186 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1[O-] ZINC000529682972 395431565 /nfs/dbraw/zinc/43/15/65/395431565.db2.gz YCNUJHNQUGVKMR-TYILLQQXSA-N 0 3 279.405 2.186 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1[O-] ZINC000194537368 395440263 /nfs/dbraw/zinc/44/02/63/395440263.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 0 3 296.798 2.048 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c1[O-] ZINC000194537368 395440268 /nfs/dbraw/zinc/44/02/68/395440268.db2.gz YYPLHXWWUWJWQE-TXEJJXNPSA-N 0 3 296.798 2.048 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c1 ZINC000282342611 292165529 /nfs/dbraw/zinc/16/55/29/292165529.db2.gz OWMNLPZJLSXVMZ-ZMZPIMSZSA-N 0 3 267.394 2.262 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)N2CCCCC2)c1 ZINC000038028711 174017071 /nfs/dbraw/zinc/01/70/71/174017071.db2.gz PUKUQIAQMDNBRZ-CYBMUJFWSA-N 0 3 278.396 2.365 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCn2cccn2)c1 ZINC000126262829 260347284 /nfs/dbraw/zinc/34/72/84/260347284.db2.gz LUTXKFOUKXFRNA-GFCCVEGCSA-N 0 3 275.352 2.338 20 10 CECDHN CCOCCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000161907191 261262661 /nfs/dbraw/zinc/26/26/61/261262661.db2.gz DJXVLNPYTUXVRP-CYBMUJFWSA-N 0 3 296.386 2.349 20 10 CECDHN C[C@H]([NH2+]CCSCCCO)c1ccccc1[O-] ZINC000183498815 261977948 /nfs/dbraw/zinc/97/79/48/261977948.db2.gz GUOLSBKOTVZZOQ-NSHDSACASA-N 0 3 255.383 2.158 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363889537 262010662 /nfs/dbraw/zinc/01/06/62/262010662.db2.gz PCFWGGVPQIQMGG-OAHLLOKOSA-N 0 3 298.386 2.062 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN2CCOC[C@H]2C1 ZINC000363889537 262010663 /nfs/dbraw/zinc/01/06/63/262010663.db2.gz PCFWGGVPQIQMGG-OAHLLOKOSA-N 0 3 298.386 2.062 20 10 CECDHN Cc1cccc(CN2CCN(c3ccnc(C)n3)CC2)c1O ZINC000184765856 262029008 /nfs/dbraw/zinc/02/90/08/262029008.db2.gz OBHFZXNEYKBXEV-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185008591 262037841 /nfs/dbraw/zinc/03/78/41/262037841.db2.gz BQYNPKNTEAQQPM-CYBMUJFWSA-N 0 3 296.411 2.020 20 10 CECDHN COCCN1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185145116 262044099 /nfs/dbraw/zinc/04/40/99/262044099.db2.gz HYNYCSDXBPOXOB-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000185220092 262046426 /nfs/dbraw/zinc/04/64/26/262046426.db2.gz NDLZYQDUEIZHKD-WDEREUQCSA-N 0 3 251.326 2.070 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185512169 262057713 /nfs/dbraw/zinc/05/77/13/262057713.db2.gz RZFVVKSISSIFOP-MWODSPESSA-N 0 3 273.373 2.294 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CC2)c1 ZINC000186089735 262079340 /nfs/dbraw/zinc/07/93/40/262079340.db2.gz REFKCOPUMYSDEY-LBPRGKRZSA-N 0 3 297.420 2.176 20 10 CECDHN COc1cccc(C[NH2+]CC2(CO)CC3(CCC3)C2)c1[O-] ZINC000278703861 263049996 /nfs/dbraw/zinc/04/99/96/263049996.db2.gz RBMHGUXJDHBFQS-UHFFFAOYSA-N 0 3 291.391 2.433 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000279685608 263056899 /nfs/dbraw/zinc/05/68/99/263056899.db2.gz PFYXHYNKQKMYMU-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)cc1OC ZINC000279685608 263056900 /nfs/dbraw/zinc/05/69/00/263056900.db2.gz PFYXHYNKQKMYMU-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cc(OC)ccc2[O-])CCCO1 ZINC000281221161 263067450 /nfs/dbraw/zinc/06/74/50/263067450.db2.gz KKULIEDRAOIBHL-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])CCCO1 ZINC000281221161 263067451 /nfs/dbraw/zinc/06/74/51/263067451.db2.gz KKULIEDRAOIBHL-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)C ZINC000296581084 263193356 /nfs/dbraw/zinc/19/33/56/263193356.db2.gz UIUFQWJFQDPGLU-CJNGLKHVSA-N 0 3 290.407 2.472 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@@H](O)CC)c1[O-] ZINC000127403148 264257611 /nfs/dbraw/zinc/25/76/11/264257611.db2.gz CAUXUSUHIGOZKK-LBPRGKRZSA-N 0 3 253.342 2.042 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000363264242 267082535 /nfs/dbraw/zinc/08/25/35/267082535.db2.gz KHQJIEBPCGZFHH-CFVMTHIKSA-N 0 3 288.391 2.108 20 10 CECDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1C ZINC000363264242 267082538 /nfs/dbraw/zinc/08/25/38/267082538.db2.gz KHQJIEBPCGZFHH-CFVMTHIKSA-N 0 3 288.391 2.108 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037161 267139379 /nfs/dbraw/zinc/13/93/79/267139379.db2.gz MEAYQNXHPALZMD-MEDUHNTESA-N 0 3 277.364 2.309 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000368037161 267139380 /nfs/dbraw/zinc/13/93/80/267139380.db2.gz MEAYQNXHPALZMD-MEDUHNTESA-N 0 3 277.364 2.309 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368045724 267142089 /nfs/dbraw/zinc/14/20/89/267142089.db2.gz WEZUEGGVIYPXEM-KLZCAUPSSA-N 0 3 288.391 2.429 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368045724 267142090 /nfs/dbraw/zinc/14/20/90/267142090.db2.gz WEZUEGGVIYPXEM-KLZCAUPSSA-N 0 3 288.391 2.429 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1[O-] ZINC000295114504 276380449 /nfs/dbraw/zinc/38/04/49/276380449.db2.gz VMIRZGOQLDXSBO-GXFFZTMASA-N 0 3 289.322 2.285 20 10 CECDHN CC[C@H](c1ccccc1O)N1CC[C@](F)(C(=O)OC)C1 ZINC000364637123 281025317 /nfs/dbraw/zinc/02/53/17/281025317.db2.gz OCEKWNKVRAOSGA-IUODEOHRSA-N 0 3 281.327 2.430 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000278555465 327176063 /nfs/dbraw/zinc/17/60/63/327176063.db2.gz OVWIJGXDULEESA-UHIISALHSA-N 0 3 265.353 2.476 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1[O-] ZINC000530216495 328716808 /nfs/dbraw/zinc/71/68/08/328716808.db2.gz PSJLDLAYCHXTTN-QMTHXVAHSA-N 0 3 264.344 2.467 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622666 329021249 /nfs/dbraw/zinc/02/12/49/329021249.db2.gz IJDHETJJZDLGGF-BBRMVZONSA-N 0 3 274.364 2.055 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000377622666 329021250 /nfs/dbraw/zinc/02/12/50/329021250.db2.gz IJDHETJJZDLGGF-BBRMVZONSA-N 0 3 274.364 2.055 20 10 CECDHN CC(C)(C)N1CC[C@](F)(C(=O)NCc2ccccc2O)C1 ZINC000377798282 329030093 /nfs/dbraw/zinc/03/00/93/329030093.db2.gz GNZFRYOACQOWRW-MRXNPFEDSA-N 0 3 294.370 2.221 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3n[nH]cc3C2)c1 ZINC000186115088 329338137 /nfs/dbraw/zinc/33/81/37/329338137.db2.gz ZVOMIEFVOHYSTR-CMPLNLGQSA-N 0 3 287.363 2.332 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c1 ZINC000527812491 330284778 /nfs/dbraw/zinc/28/47/78/330284778.db2.gz PXIYREWJGWIABU-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN CCC(CC)[C@H](O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000225818838 333241156 /nfs/dbraw/zinc/24/11/56/333241156.db2.gz RYYGXGNVFDYTBX-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000280939306 519538758 /nfs/dbraw/zinc/53/87/58/519538758.db2.gz IQTDKULOWHSPQL-OCCSQVGLSA-N 0 3 276.380 2.301 20 10 CECDHN CCOCCOCCN(C)Cc1cc(OCC)ccc1O ZINC000276112275 519993476 /nfs/dbraw/zinc/99/34/76/519993476.db2.gz AFHRIVLHHBHDDF-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](COC)[C@H]2CCCO2)c1 ZINC000278778406 521155466 /nfs/dbraw/zinc/15/54/66/521155466.db2.gz YVZORQQMIOGKKA-GDBMZVCRSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](COC)[C@H]2CCCO2)c1 ZINC000278778406 521155474 /nfs/dbraw/zinc/15/54/74/521155474.db2.gz YVZORQQMIOGKKA-GDBMZVCRSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279767312 521155789 /nfs/dbraw/zinc/15/57/89/521155789.db2.gz JWPLWPHRRHWBKR-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN CN(C)c1ccc(CN(C)CCO)c(C(F)(F)F)c1 ZINC000279762224 522170776 /nfs/dbraw/zinc/17/07/76/522170776.db2.gz ZBWKOEHJBDMYFX-UHFFFAOYSA-N 0 3 276.302 2.196 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000276020162 522181645 /nfs/dbraw/zinc/18/16/45/522181645.db2.gz QSSSCCFIQYVTFG-OAHLLOKOSA-N 0 3 280.387 2.485 20 10 CECDHN Cc1cc(CN2CCC[C@@H](OCCO)C2)ccc1N(C)C ZINC000293046406 524684878 /nfs/dbraw/zinc/68/48/78/524684878.db2.gz KEHHWDVTKWEWLO-MRXNPFEDSA-N 0 3 292.423 2.034 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(OC)CCCC2)c1 ZINC000276732379 524750959 /nfs/dbraw/zinc/75/09/59/524750959.db2.gz DWOKBIITCLNEMV-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040774040 524766362 /nfs/dbraw/zinc/76/63/62/524766362.db2.gz KNIBODOAPATVDJ-VXGBXAGGSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@@H](O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000130406737 525747294 /nfs/dbraw/zinc/74/72/94/525747294.db2.gz MZXXHCBLDDZXRF-GFCCVEGCSA-N 0 3 280.387 2.485 20 10 CECDHN COc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000037140983 526010330 /nfs/dbraw/zinc/01/03/30/526010330.db2.gz ADLYPDGENLVPJK-UHFFFAOYSA-N 0 3 276.380 2.117 20 10 CECDHN [O-]c1ccccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000733331051 574665179 /nfs/dbraw/zinc/66/51/79/574665179.db2.gz YJSJATSVFXUWSH-INIZCTEOSA-N 0 3 290.407 2.125 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000742374630 575017833 /nfs/dbraw/zinc/01/78/33/575017833.db2.gz AQWZPBLGNVLUPS-TZMCWYRMSA-N 0 3 278.396 2.363 20 10 CECDHN C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1[O-] ZINC000806178832 622935674 /nfs/dbraw/zinc/93/56/74/622935674.db2.gz JOIYHIZSTRVELO-TZMCWYRMSA-N 0 3 272.348 2.214 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179873560 625669403 /nfs/dbraw/zinc/66/94/03/625669403.db2.gz JRLLXVLDAGLQHK-CHWSQXEVSA-N 0 3 267.369 2.076 20 10 CECDHN CC[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)N(C)C ZINC000177850648 625903972 /nfs/dbraw/zinc/90/39/72/625903972.db2.gz NSUGFRBONSXIOD-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN CCCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097654 628774531 /nfs/dbraw/zinc/77/45/31/628774531.db2.gz AEHXIKBGFHZVJS-HNNXBMFYSA-N 0 3 277.412 2.272 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794807786 629325356 /nfs/dbraw/zinc/32/53/56/629325356.db2.gz LQWXMJLZNMHVRR-GOEBONIOSA-N 0 3 292.423 2.462 20 10 CECDHN COc1ccc(CNC2(CF)CCOCC2)c(O)c1OC ZINC000894694575 629593811 /nfs/dbraw/zinc/59/38/11/629593811.db2.gz FZTIBNBANXLBTG-UHFFFAOYSA-N 0 3 299.342 2.018 20 10 CECDHN Cc1ccc(C[NH2+]CCO[C@H]2CCCCO2)c([O-])c1 ZINC000894793857 629650702 /nfs/dbraw/zinc/65/07/02/629650702.db2.gz KZVNNYCQYBOXMI-HNNXBMFYSA-N 0 3 265.353 2.333 20 10 CECDHN O=C(NC1CC([NH+]2CCCCC2)C1)c1cc([O-])cs1 ZINC000795891045 629701239 /nfs/dbraw/zinc/70/12/39/629701239.db2.gz UIUUAPCLMIDZGG-UHFFFAOYSA-N 0 3 280.393 2.200 20 10 CECDHN COC(=O)[C@@H]1[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1(F)F ZINC000895460070 630202533 /nfs/dbraw/zinc/20/25/33/630202533.db2.gz ITSWAJXVJGFKED-UISBYWKRSA-N 0 3 285.290 2.097 20 10 CECDHN COc1ccc(C[N@H+](CCO)Cc2ccccc2[O-])cc1 ZINC000895711638 630311222 /nfs/dbraw/zinc/31/12/22/630311222.db2.gz SPTVJRZJZYEZDB-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN COc1ccc(C[N@@H+](CCO)Cc2ccccc2[O-])cc1 ZINC000895711638 630311224 /nfs/dbraw/zinc/31/12/24/630311224.db2.gz SPTVJRZJZYEZDB-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896239853 630509597 /nfs/dbraw/zinc/50/95/97/630509597.db2.gz NCNBWFBUGGLBQH-LLVKDONJSA-N 0 3 289.335 2.082 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000896239853 630509598 /nfs/dbraw/zinc/50/95/98/630509598.db2.gz NCNBWFBUGGLBQH-LLVKDONJSA-N 0 3 289.335 2.082 20 10 CECDHN COCC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000798940877 630954783 /nfs/dbraw/zinc/95/47/83/630954783.db2.gz OJLCNYZNCMQNON-HOSYDEDBSA-N 0 3 283.343 2.067 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H](CCO)Cc1ccccc1 ZINC000799349819 631018668 /nfs/dbraw/zinc/01/86/68/631018668.db2.gz KQJUARRLTXLCAC-MRXNPFEDSA-N 0 3 271.360 2.476 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCCF ZINC000800499017 631131437 /nfs/dbraw/zinc/13/14/37/631131437.db2.gz SYOJUEUBLHDRAK-QXEWZRGKSA-N 0 3 298.333 2.143 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897527215 631650416 /nfs/dbraw/zinc/65/04/16/631650416.db2.gz JPQJIFMSVKQTRX-UHFFFAOYSA-N 0 3 261.365 2.485 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2COCC[C@H]2OC)cc1 ZINC000897891789 631963955 /nfs/dbraw/zinc/96/39/55/631963955.db2.gz QVWOHEIPDUPSOQ-IAGOWNOFSA-N 0 3 292.423 2.426 20 10 CECDHN CCOc1ccc(C[NH2+]C2CC(CCO)C2)c([O-])c1 ZINC000898007503 631999333 /nfs/dbraw/zinc/99/93/33/631999333.db2.gz BAXQVSLBSMBLPE-UHFFFAOYSA-N 0 3 265.353 2.042 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695272 632001857 /nfs/dbraw/zinc/00/18/57/632001857.db2.gz KHFCEKWXMUNOJD-IINYFYTJSA-N 0 3 287.787 2.402 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188838 632157394 /nfs/dbraw/zinc/15/73/94/632157394.db2.gz MXZHIUGLPBOUNY-LRDDRELGSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188838 632157399 /nfs/dbraw/zinc/15/73/99/632157399.db2.gz MXZHIUGLPBOUNY-LRDDRELGSA-N 0 3 289.375 2.440 20 10 CECDHN CC[C@H]1C(=O)NCCCN1Cc1cc(C)c(C)cc1O ZINC000898557813 632536637 /nfs/dbraw/zinc/53/66/37/632536637.db2.gz JKSLUGQOTFXKKV-AWEZNQCLSA-N 0 3 276.380 2.110 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2[O-] ZINC000813879005 632751891 /nfs/dbraw/zinc/75/18/91/632751891.db2.gz IFVXTIBXSOJOOD-SKDRFNHKSA-N 0 3 281.327 2.085 20 10 CECDHN C[C@H](C[NH3+])N[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817966723 633810241 /nfs/dbraw/zinc/81/02/41/633810241.db2.gz UKCZTBLQOQDLFS-RNFRBKRXSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H]([NH3+])CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971298 633812842 /nfs/dbraw/zinc/81/28/42/633812842.db2.gz CATFFRHOYNMZMH-RQJHMYQMSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972633 633815140 /nfs/dbraw/zinc/81/51/40/633815140.db2.gz YVPDWSDZUXVXDP-OUAUKWLOSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972633 633815142 /nfs/dbraw/zinc/81/51/42/633815142.db2.gz YVPDWSDZUXVXDP-OUAUKWLOSA-N 0 3 279.340 2.092 20 10 CECDHN Cc1cc([O-])c(CN2CCO[C@H](C[NH+](C)C)C2)cc1Cl ZINC000824478688 635434055 /nfs/dbraw/zinc/43/40/55/635434055.db2.gz NZPLAEUKEYNTGO-CYBMUJFWSA-N 0 3 298.814 2.116 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000824564301 635452854 /nfs/dbraw/zinc/45/28/54/635452854.db2.gz IKGCEUZATPBFRM-GDBMZVCRSA-N 0 3 292.423 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)CCCCO)c([O-])c1 ZINC000824653791 635471430 /nfs/dbraw/zinc/47/14/30/635471430.db2.gz IAXVZXSPIHHMAI-GFCCVEGCSA-N 0 3 267.369 2.432 20 10 CECDHN Cc1cccc(C[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)c1O ZINC000826298349 635770183 /nfs/dbraw/zinc/77/01/83/635770183.db2.gz OWVBGZZOHJHWTA-UHFFFAOYSA-N 0 3 295.346 2.171 20 10 CECDHN COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(C)c1[O-])OC ZINC000826839038 635857433 /nfs/dbraw/zinc/85/74/33/635857433.db2.gz NPXHYOYAOZAOPD-CYBMUJFWSA-N 0 3 287.787 2.495 20 10 CECDHN C[C@@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827936717 636464197 /nfs/dbraw/zinc/46/41/97/636464197.db2.gz AYZPMLQHZYLOLQ-RWMBFGLXSA-N 0 3 276.380 2.442 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512471 650297684 /nfs/dbraw/zinc/29/76/84/650297684.db2.gz PFSSOCFQTGMSNU-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512471 650297686 /nfs/dbraw/zinc/29/76/86/650297686.db2.gz PFSSOCFQTGMSNU-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN COCCC[N@H+](CCOC)Cc1c(C)cccc1[O-] ZINC000876626724 650365444 /nfs/dbraw/zinc/36/54/44/650365444.db2.gz GSKJHSAGMDONOT-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1c(C)cccc1[O-] ZINC000876626724 650365447 /nfs/dbraw/zinc/36/54/47/650365447.db2.gz GSKJHSAGMDONOT-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1[O-] ZINC000834892243 637980322 /nfs/dbraw/zinc/98/03/22/637980322.db2.gz QUQDFQSLFZAMOR-FPMFFAJLSA-N 0 3 294.370 2.045 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000835079930 638051427 /nfs/dbraw/zinc/05/14/27/638051427.db2.gz GXROEVQMUBNUGT-VXGBXAGGSA-N 0 3 255.745 2.357 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000876782390 650429117 /nfs/dbraw/zinc/42/91/17/650429117.db2.gz PWHZJVMPAXPKBV-OAHLLOKOSA-N 0 3 291.391 2.471 20 10 CECDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000876816167 650444890 /nfs/dbraw/zinc/44/48/90/650444890.db2.gz WDWRGMBCOFQJIS-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000876816167 650444891 /nfs/dbraw/zinc/44/48/91/650444891.db2.gz WDWRGMBCOFQJIS-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN COc1cc(C)cc(CN2CCSCC2)c1O ZINC000164118905 639347273 /nfs/dbraw/zinc/34/72/73/639347273.db2.gz LZQWUFRQMKVOIE-UHFFFAOYSA-N 0 3 253.367 2.258 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c([O-])c1 ZINC000840977051 639607512 /nfs/dbraw/zinc/60/75/12/639607512.db2.gz FQYHPWGZOQPXSW-JSGCOSHPSA-N 0 3 279.380 2.432 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CN)C2CC2)c1 ZINC000841027502 639620318 /nfs/dbraw/zinc/62/03/18/639620318.db2.gz CLNRNMTYPFUAIN-GFCCVEGCSA-N 0 3 299.212 2.290 20 10 CECDHN N[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049636 639632570 /nfs/dbraw/zinc/63/25/70/639632570.db2.gz MNGPNBYNOWFCNC-LLVKDONJSA-N 0 3 258.724 2.012 20 10 CECDHN [NH3+][C@H](CNCc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049636 639632577 /nfs/dbraw/zinc/63/25/77/639632577.db2.gz MNGPNBYNOWFCNC-LLVKDONJSA-N 0 3 258.724 2.012 20 10 CECDHN C[C@H]1CC[NH2+]C[C@H]1NCc1cccc(Cl)c1[O-] ZINC000841059271 639636279 /nfs/dbraw/zinc/63/62/79/639636279.db2.gz OYQJRYCULCYWPR-JOYOIKCWSA-N 0 3 254.761 2.133 20 10 CECDHN C[C@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060716 639636848 /nfs/dbraw/zinc/63/68/48/639636848.db2.gz BLOIJMGDTSCYFY-GZMMTYOYSA-N 0 3 299.758 2.184 20 10 CECDHN COC[C@@]1(CNCc2c([O-])cc(C)cc2Cl)CCC[NH2+]1 ZINC000841067091 639642742 /nfs/dbraw/zinc/64/27/42/639642742.db2.gz KAKLEPPOBWDIGK-HNNXBMFYSA-N 0 3 298.814 2.212 20 10 CECDHN CN(C(=O)c1cccc(O)c1[O-])C(C)(C)C[NH+]1CCCC1 ZINC000841468051 639770130 /nfs/dbraw/zinc/77/01/30/639770130.db2.gz RBOOOKVMNVIUIE-UHFFFAOYSA-N 0 3 292.379 2.044 20 10 CECDHN CC(C)C[C@H](CNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000827487987 639981775 /nfs/dbraw/zinc/98/17/75/639981775.db2.gz BGCWNXVPYXHNRB-SNVBAGLBSA-N 0 3 270.398 2.160 20 10 CECDHN CC(C)C[C@H](CNC(=O)C1=CC(=O)CS1)N(C)C ZINC000827487987 639981778 /nfs/dbraw/zinc/98/17/78/639981778.db2.gz BGCWNXVPYXHNRB-SNVBAGLBSA-N 0 3 270.398 2.160 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877045115 650545050 /nfs/dbraw/zinc/54/50/50/650545050.db2.gz QDMODHQCBQBQPY-UKRRQHHQSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[NH2+]CCCOC2CCOCC2)c([O-])c1 ZINC000877056158 650551695 /nfs/dbraw/zinc/55/16/95/650551695.db2.gz ZWHVPDYWZNOFAK-UHFFFAOYSA-N 0 3 279.380 2.376 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000877060216 650553669 /nfs/dbraw/zinc/55/36/69/650553669.db2.gz VJKNXPCRBRDSPD-AWEZNQCLSA-N 0 3 279.380 2.233 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)[C@@H]1SC ZINC000842767414 640175020 /nfs/dbraw/zinc/17/50/20/640175020.db2.gz SYEGZPLMSWCULT-DFBGVHRSSA-N 0 3 297.420 2.399 20 10 CECDHN CC[C@H]([NH2+]CCc1cn(C)cn1)c1ccccc1[O-] ZINC000313267519 640197977 /nfs/dbraw/zinc/19/79/77/640197977.db2.gz KLJHMVZCTMEFHZ-AWEZNQCLSA-N 0 3 259.353 2.409 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000877084859 650565139 /nfs/dbraw/zinc/56/51/39/650565139.db2.gz ONJSRBJDMMNNQM-ZDUSSCGKSA-N 0 3 257.337 2.071 20 10 CECDHN C[NH2+]C[C@H]1CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843052152 640254906 /nfs/dbraw/zinc/25/49/06/640254906.db2.gz IKSRMJXLEZDEBJ-LLVKDONJSA-N 0 3 268.788 2.395 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H](C)[C@@H]2C[NH3+])c1[O-] ZINC000843353399 640400511 /nfs/dbraw/zinc/40/05/11/640400511.db2.gz HIPLHNNOIJZURT-BONVTDFDSA-N 0 3 294.370 2.293 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914435589 640407058 /nfs/dbraw/zinc/40/70/58/640407058.db2.gz HSEDXUDQEZWFJI-CHWSQXEVSA-N 0 3 251.301 2.046 20 10 CECDHN COC(=O)[C@H](C)C[N@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000877171085 650608517 /nfs/dbraw/zinc/60/85/17/650608517.db2.gz YQAVRZDZBXDWBI-GFCCVEGCSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@H](C)C[N@@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC000877171085 650608518 /nfs/dbraw/zinc/60/85/18/650608518.db2.gz YQAVRZDZBXDWBI-GFCCVEGCSA-N 0 3 277.364 2.474 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCCC1=O)c1ccc(C)cc1[O-] ZINC000846207177 641222286 /nfs/dbraw/zinc/22/22/86/641222286.db2.gz ZJKPWZVJEVNCEZ-CQSZACIVSA-N 0 3 276.380 2.364 20 10 CECDHN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877322716 650675499 /nfs/dbraw/zinc/67/54/99/650675499.db2.gz CCHBKYJHWDKALZ-VXGBXAGGSA-N 0 3 265.353 2.378 20 10 CECDHN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877323472 650676140 /nfs/dbraw/zinc/67/61/40/650676140.db2.gz PHEITDSTJSQNEF-NWDGAFQWSA-N 0 3 265.353 2.378 20 10 CECDHN C[C@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000183525317 641760783 /nfs/dbraw/zinc/76/07/83/641760783.db2.gz YSWSEWDWNTZPGL-KBPBESRZSA-N 0 3 279.380 2.486 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCc2ccnn2C)c([O-])c1 ZINC000184011868 641827074 /nfs/dbraw/zinc/82/70/74/641827074.db2.gz YSCXWGHXWKTVSJ-LBPRGKRZSA-N 0 3 259.353 2.327 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c([O-])c1 ZINC000185777969 642028430 /nfs/dbraw/zinc/02/84/30/642028430.db2.gz VTLQAJOYQAJSDL-BBRMVZONSA-N 0 3 279.380 2.140 20 10 CECDHN Cn1c(Cl)ncc1CNCc1ccccc1O ZINC000848533544 642039621 /nfs/dbraw/zinc/03/96/21/642039621.db2.gz RUKFUPCJEVGHFX-UHFFFAOYSA-N 0 3 251.717 2.069 20 10 CECDHN Cn1c(Cl)ncc1C[NH2+]Cc1ccccc1[O-] ZINC000848533544 642039623 /nfs/dbraw/zinc/03/96/23/642039623.db2.gz RUKFUPCJEVGHFX-UHFFFAOYSA-N 0 3 251.717 2.069 20 10 CECDHN CCc1cccc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000848884746 642170026 /nfs/dbraw/zinc/17/00/26/642170026.db2.gz JNMPSHTZCWSPRA-CQSZACIVSA-N 0 3 276.380 2.055 20 10 CECDHN Cc1ccc(CN(CCCO)Cc2ccccn2)c(O)c1 ZINC000877527514 650768678 /nfs/dbraw/zinc/76/86/78/650768678.db2.gz PGMBEIIPTWQAQY-UHFFFAOYSA-N 0 3 286.375 2.480 20 10 CECDHN COc1ccc(N2CC[C@H](NCc3conc3C)C2)cc1 ZINC000850346722 642675534 /nfs/dbraw/zinc/67/55/34/642675534.db2.gz IPGULCQTCHOALN-AWEZNQCLSA-N 0 3 287.363 2.360 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2ccccc2[O-])C1 ZINC000850353968 642678552 /nfs/dbraw/zinc/67/85/52/642678552.db2.gz RCBHOTJBRHTHET-NWANDNLSSA-N 0 3 279.380 2.048 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000850356358 642680056 /nfs/dbraw/zinc/68/00/56/642680056.db2.gz OVIJNTMYTSYRMF-HTGLOVNISA-N 0 3 297.420 2.180 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499712 642732775 /nfs/dbraw/zinc/73/27/75/642732775.db2.gz VUHAXVKXIJVWJF-VDDIYKPWSA-N 0 3 276.315 2.479 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1cc(F)ccc1[O-] ZINC000850547817 642749294 /nfs/dbraw/zinc/74/92/94/642749294.db2.gz XDCPYHSDRBMQJT-HERUPUMHSA-N 0 3 265.328 2.485 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1cc(F)ccc1[O-] ZINC000850547815 642749531 /nfs/dbraw/zinc/74/95/31/642749531.db2.gz XDCPYHSDRBMQJT-CUOATXAZSA-N 0 3 265.328 2.485 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000877551692 650783199 /nfs/dbraw/zinc/78/31/99/650783199.db2.gz JYNVZMXYPCPQQK-UHFFFAOYSA-N 0 3 277.364 2.430 20 10 CECDHN CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922518193 643104354 /nfs/dbraw/zinc/10/43/54/643104354.db2.gz UEVMIGDAVCPCMF-NSHDSACASA-N 0 3 297.374 2.059 20 10 CECDHN CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922518193 643104358 /nfs/dbraw/zinc/10/43/58/643104358.db2.gz UEVMIGDAVCPCMF-NSHDSACASA-N 0 3 297.374 2.059 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](COC)OC ZINC000851791610 643164229 /nfs/dbraw/zinc/16/42/29/643164229.db2.gz DKHZZLITYCTCIL-AWEZNQCLSA-N 0 3 267.369 2.266 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](COC)OC ZINC000851791610 643164232 /nfs/dbraw/zinc/16/42/32/643164232.db2.gz DKHZZLITYCTCIL-AWEZNQCLSA-N 0 3 267.369 2.266 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000877639128 650829597 /nfs/dbraw/zinc/82/95/97/650829597.db2.gz WJHZZPMLLVTNLK-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000877639128 650829598 /nfs/dbraw/zinc/82/95/98/650829598.db2.gz WJHZZPMLLVTNLK-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN CC1(C)CN(Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000877717796 650868960 /nfs/dbraw/zinc/86/89/60/650868960.db2.gz QOVUBQMHOKSKLX-UHFFFAOYSA-N 0 3 274.408 2.490 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C2)c([O-])c1 ZINC000839147564 644157794 /nfs/dbraw/zinc/15/77/94/644157794.db2.gz NDJJLWKELZCBBN-XBXGTLAGSA-N 0 3 265.353 2.448 20 10 CECDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758182 650899935 /nfs/dbraw/zinc/89/99/35/650899935.db2.gz LVXKAIMYSOWZSE-XKAARJIMSA-N 0 3 263.337 2.240 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC[C@H]1CCOC1=O ZINC000877808473 650917565 /nfs/dbraw/zinc/91/75/65/650917565.db2.gz ZALIHTPYGQXFOK-LBPRGKRZSA-N 0 3 263.337 2.134 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756595696 644673386 /nfs/dbraw/zinc/67/33/86/644673386.db2.gz YCRGDGJLMNGJND-NHCYSSNCSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2[O-] ZINC000756779899 644691445 /nfs/dbraw/zinc/69/14/45/644691445.db2.gz NSDHUPOEWPAKGD-KOLCDFICSA-N 0 3 281.327 2.432 20 10 CECDHN O=C(NC1CC[NH+](C2CCC2)CC1)c1cc([O-])cs1 ZINC000839789095 644819235 /nfs/dbraw/zinc/81/92/35/644819235.db2.gz QEMQZXPLGBXGAF-UHFFFAOYSA-N 0 3 280.393 2.200 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000858232489 645094698 /nfs/dbraw/zinc/09/46/98/645094698.db2.gz YYHPLZGHQCROSH-GFCCVEGCSA-N 0 3 270.323 2.211 20 10 CECDHN COc1cccc(O)c1CNCc1cccnc1C ZINC000858273979 645105562 /nfs/dbraw/zinc/10/55/62/645105562.db2.gz TYRGGBLBTUWOMO-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000858295515 645109781 /nfs/dbraw/zinc/10/97/81/645109781.db2.gz DYHNYQFTKFQIAB-XHDPSFHLSA-N 0 3 263.337 2.058 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000858297405 645110427 /nfs/dbraw/zinc/11/04/27/645110427.db2.gz CWRYSAZZYQPLPV-CJNGLKHVSA-N 0 3 277.364 2.448 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000858473495 645173379 /nfs/dbraw/zinc/17/33/79/645173379.db2.gz OTSCKBDMEWODIG-SKDRFNHKSA-N 0 3 279.311 2.444 20 10 CECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000858588228 645215258 /nfs/dbraw/zinc/21/52/58/645215258.db2.gz XNBBJGTUWVJCSB-FXPVBKGRSA-N 0 3 296.342 2.078 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](CCO)CC2CC2)c1[O-] ZINC000761194710 645256125 /nfs/dbraw/zinc/25/61/25/645256125.db2.gz FQYQQSHZWHAPAZ-UHFFFAOYSA-N 0 3 285.771 2.259 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](CCO)CC2CC2)c1[O-] ZINC000761194710 645256129 /nfs/dbraw/zinc/25/61/29/645256129.db2.gz FQYQQSHZWHAPAZ-UHFFFAOYSA-N 0 3 285.771 2.259 20 10 CECDHN CCCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441275 646122563 /nfs/dbraw/zinc/12/25/63/646122563.db2.gz IRQCWBQAUQNRQB-AWEZNQCLSA-N 0 3 265.353 2.440 20 10 CECDHN CCCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441275 646122566 /nfs/dbraw/zinc/12/25/66/646122566.db2.gz IRQCWBQAUQNRQB-AWEZNQCLSA-N 0 3 265.353 2.440 20 10 CECDHN CC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464195 646126998 /nfs/dbraw/zinc/12/69/98/646126998.db2.gz ODTCSGVSHMRFQT-HZMBPMFUSA-N 0 3 263.337 2.050 20 10 CECDHN CC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464195 646127001 /nfs/dbraw/zinc/12/70/01/646127001.db2.gz ODTCSGVSHMRFQT-HZMBPMFUSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768466024 646128069 /nfs/dbraw/zinc/12/80/69/646128069.db2.gz VNYTTXSUWUSDTR-UEKVPHQBSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H]1C ZINC000768466024 646128073 /nfs/dbraw/zinc/12/80/73/646128073.db2.gz VNYTTXSUWUSDTR-UEKVPHQBSA-N 0 3 277.364 2.296 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c([O-])c1 ZINC000769514544 646280586 /nfs/dbraw/zinc/28/05/86/646280586.db2.gz JDQSFATZBINQGO-BXUZGUMPSA-N 0 3 293.363 2.032 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)c([O-])c1 ZINC000769514544 646280589 /nfs/dbraw/zinc/28/05/89/646280589.db2.gz JDQSFATZBINQGO-BXUZGUMPSA-N 0 3 293.363 2.032 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285915 646377396 /nfs/dbraw/zinc/37/73/96/646377396.db2.gz LSNBGXOZXUEVOH-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000770285915 646377398 /nfs/dbraw/zinc/37/73/98/646377398.db2.gz LSNBGXOZXUEVOH-GXTWGEPZSA-N 0 3 277.364 2.402 20 10 CECDHN O=C(/C=C/c1ccc(O)c(O)c1)OCCN1CCCCC1 ZINC000770403738 646388745 /nfs/dbraw/zinc/38/87/45/646388745.db2.gz KBZBJUUFCLPZHC-FNORWQNLSA-N 0 3 291.347 2.140 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000770745342 646434173 /nfs/dbraw/zinc/43/41/73/646434173.db2.gz GRVDJOIUNBTYMG-VXGBXAGGSA-N 0 3 265.353 2.306 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000862469137 646473462 /nfs/dbraw/zinc/47/34/62/646473462.db2.gz ZNHSVMVIXGIBKB-LBPRGKRZSA-N 0 3 288.313 2.350 20 10 CECDHN CC[C@@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101152 646706632 /nfs/dbraw/zinc/70/66/32/646706632.db2.gz ANZKKUGLAARCRC-SWLSCSKDSA-N 0 3 298.452 2.226 20 10 CECDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1 ZINC000863483990 646739440 /nfs/dbraw/zinc/73/94/40/646739440.db2.gz GECSVRRHAJEBPY-MWLCHTKSSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H]1CC[C@@H](NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483990 646739443 /nfs/dbraw/zinc/73/94/43/646739443.db2.gz GECSVRRHAJEBPY-MWLCHTKSSA-N 0 3 254.761 2.276 20 10 CECDHN Cc1cc([O-])c(CN[C@@H]2CC[NH2+][C@H]2C)c(Cl)c1 ZINC000863651644 646777054 /nfs/dbraw/zinc/77/70/54/646777054.db2.gz DNLNOAHTJOOSHD-JOYOIKCWSA-N 0 3 254.761 2.194 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(CCOC)CCOC2)c([O-])c1 ZINC000775035362 646917626 /nfs/dbraw/zinc/91/76/26/646917626.db2.gz YYCFALIWQSEUQK-MRXNPFEDSA-N 0 3 295.379 2.076 20 10 CECDHN C[C@H](NCc1cc(=O)c(O)co1)c1ccc(N(C)C)cc1 ZINC000775832271 646997355 /nfs/dbraw/zinc/99/73/55/646997355.db2.gz XSAFWGSKOBRBOM-NSHDSACASA-N 0 3 288.347 2.262 20 10 CECDHN CCCC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000778999811 647280077 /nfs/dbraw/zinc/28/00/77/647280077.db2.gz KTFGIUUFUVZHJT-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN CC(C)[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000779086066 647286677 /nfs/dbraw/zinc/28/66/77/647286677.db2.gz TXKPTYVIQUJPIM-HNNXBMFYSA-N 0 3 294.370 2.268 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c([O-])c1 ZINC000779203091 647297743 /nfs/dbraw/zinc/29/77/43/647297743.db2.gz YHNVPWRHLMENSY-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CCO)c([O-])c1 ZINC000779203091 647297747 /nfs/dbraw/zinc/29/77/47/647297747.db2.gz YHNVPWRHLMENSY-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@@H](O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891981 647477740 /nfs/dbraw/zinc/47/77/40/647477740.db2.gz FQTKSJZEJRFALO-TZMCWYRMSA-N 0 3 280.387 2.485 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000866415921 647779493 /nfs/dbraw/zinc/77/94/93/647779493.db2.gz IKSAVTGBIUBVEL-SVDPJWKOSA-N 0 3 265.328 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784670688 647873534 /nfs/dbraw/zinc/87/35/34/647873534.db2.gz PARFHZDEBRVMGW-HAQNSBGRSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000784670688 647873536 /nfs/dbraw/zinc/87/35/36/647873536.db2.gz PARFHZDEBRVMGW-HAQNSBGRSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@H](C)O)c([O-])c1 ZINC000788524547 648198651 /nfs/dbraw/zinc/19/86/51/648198651.db2.gz RNFUIXRPHLYTOZ-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@@H](C)[NH2+]1 ZINC000125064766 649788727 /nfs/dbraw/zinc/78/87/27/649788727.db2.gz XZEFIMLYNCMWGW-NXEZZACHSA-N 0 3 254.761 2.228 20 10 CECDHN COc1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])c(C)n1 ZINC000879650451 651335823 /nfs/dbraw/zinc/33/58/23/651335823.db2.gz ALMQFZUAIVDHBC-NSHDSACASA-N 0 3 273.336 2.350 20 10 CECDHN C[C@H]([NH2+]CC(=O)NC(C1CC1)C1CC1)c1ccccc1[O-] ZINC000879651368 651335849 /nfs/dbraw/zinc/33/58/49/651335849.db2.gz SHSDWQBLHVSEES-NSHDSACASA-N 0 3 288.391 2.348 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CCCC1 ZINC000879651699 651336056 /nfs/dbraw/zinc/33/60/56/651336056.db2.gz HQTIRXZHCYGWGO-RYUDHWBXSA-N 0 3 276.380 2.490 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723543911 802884534 /nfs/dbraw/zinc/88/45/34/802884534.db2.gz BIMSUAIZIKDSEO-STQMWFEESA-N 0 3 276.380 2.220 20 10 CECDHN COc1ccc(CNC[C@H]2CCCCS2(=O)=O)cc1C ZINC000694591069 803571162 /nfs/dbraw/zinc/57/11/62/803571162.db2.gz QUBLLVKNXSCBEG-CQSZACIVSA-N 0 3 297.420 2.061 20 10 CECDHN CC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1 ZINC000037138307 815026681 /nfs/dbraw/zinc/02/66/81/815026681.db2.gz KWCMVNIZXIZGDJ-LBPRGKRZSA-N 0 3 276.380 2.362 20 10 CECDHN CN(C)CCC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691451404 807888766 /nfs/dbraw/zinc/88/87/66/807888766.db2.gz BBCBYLUHVIZENR-UHFFFAOYSA-N 0 3 287.201 2.196 20 10 CECDHN COc1cc(C)c(C[NH+]2CC([C@@H](C)OC)C2)c([O-])c1 ZINC001236812589 808168490 /nfs/dbraw/zinc/16/84/90/808168490.db2.gz CAZVJGLCRGOXRB-LLVKDONJSA-N 0 3 265.353 2.176 20 10 CECDHN CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172761984 815510035 /nfs/dbraw/zinc/51/00/35/815510035.db2.gz VCGVEPSPPYNLCP-LLVKDONJSA-N 0 3 281.352 2.308 20 10 CECDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCO1 ZINC001170176532 812324305 /nfs/dbraw/zinc/32/43/05/812324305.db2.gz YALKFPDCCZFAAW-YPMHNXCESA-N 0 3 251.326 2.145 20 10 CECDHN C[C@H]([NH2+]CCc1cnccn1)c1cc(F)ccc1[O-] ZINC000390038511 813259421 /nfs/dbraw/zinc/25/94/21/813259421.db2.gz IVCXKABDVIGBIM-JTQLQIEISA-N 0 3 261.300 2.215 20 10 CECDHN CC[C@@H]([NH2+]CCc1cnccn1)c1ccccc1[O-] ZINC000390177140 813261667 /nfs/dbraw/zinc/26/16/67/813261667.db2.gz GYRHDHWVCQFODS-CQSZACIVSA-N 0 3 257.337 2.466 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000391464460 813285774 /nfs/dbraw/zinc/28/57/74/813285774.db2.gz BMYHGXNTUHXPSM-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccccc1[O-] ZINC000689585800 813978124 /nfs/dbraw/zinc/97/81/24/813978124.db2.gz RWTPTEBXTHOIMF-GFCCVEGCSA-N 0 3 266.341 2.131 20 10 CECDHN C[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714383946 814903237 /nfs/dbraw/zinc/90/32/37/814903237.db2.gz XBBBYUWWSPJBDU-VXGBXAGGSA-N 0 3 283.393 2.010 20 10 CECDHN COCC1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138354322 815773218 /nfs/dbraw/zinc/77/32/18/815773218.db2.gz FDZHVGQOLXOAQS-UHFFFAOYSA-N 0 3 260.381 2.147 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001140057093 816179272 /nfs/dbraw/zinc/17/92/72/816179272.db2.gz BZBSPBJOHRZJJZ-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001140057093 816179277 /nfs/dbraw/zinc/17/92/77/816179277.db2.gz BZBSPBJOHRZJJZ-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC001140055090 816179871 /nfs/dbraw/zinc/17/98/71/816179871.db2.gz HYBNBMIRQXCDTF-GWCFXTLKSA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC001140055090 816179874 /nfs/dbraw/zinc/17/98/74/816179874.db2.gz HYBNBMIRQXCDTF-GWCFXTLKSA-N 0 3 281.327 2.305 20 10 CECDHN CC(=O)N1CCN(Cc2c(C)ccc(C)c2O)[C@@H](C)C1 ZINC001140184240 816206235 /nfs/dbraw/zinc/20/62/35/816206235.db2.gz OJGHSEUXNZNVRP-ZDUSSCGKSA-N 0 3 276.380 2.062 20 10 CECDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CCOCC1 ZINC001141028664 816450443 /nfs/dbraw/zinc/45/04/43/816450443.db2.gz ZDXNZHAPKINQKN-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CCOCC1 ZINC001141028664 816450445 /nfs/dbraw/zinc/45/04/45/816450445.db2.gz ZDXNZHAPKINQKN-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN CCOC(=O)C[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141156608 816489789 /nfs/dbraw/zinc/48/97/89/816489789.db2.gz OKPZUPLCEOPMRK-LBPRGKRZSA-N 0 3 293.363 2.263 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530648 816680789 /nfs/dbraw/zinc/68/07/89/816680789.db2.gz IYKKGBLMWJBRSG-HZMBPMFUSA-N 0 3 282.334 2.196 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530648 816680793 /nfs/dbraw/zinc/68/07/93/816680793.db2.gz IYKKGBLMWJBRSG-HZMBPMFUSA-N 0 3 282.334 2.196 20 10 CECDHN C[C@@H]([NH2+]CCN1CCSCC1)c1ccccc1[O-] ZINC000223662088 539206953 /nfs/dbraw/zinc/20/69/53/539206953.db2.gz LLLWTTBDIPPFDO-GFCCVEGCSA-N 0 3 266.410 2.092 20 10 CECDHN COc1ccc(CN(C)Cc2ccccc2O)cn1 ZINC000085795158 344097437 /nfs/dbraw/zinc/09/74/37/344097437.db2.gz RVYAFVTYSBTZER-UHFFFAOYSA-N 0 3 258.321 2.428 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000092455922 344189937 /nfs/dbraw/zinc/18/99/37/344189937.db2.gz JSJZHYKPWLJJDL-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000092455922 344189938 /nfs/dbraw/zinc/18/99/38/344189938.db2.gz JSJZHYKPWLJJDL-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CN1CCc2cc(CNCc3ccncc3)ccc21 ZINC000050286177 362414504 /nfs/dbraw/zinc/41/45/04/362414504.db2.gz AHUGVFNLLICPDD-UHFFFAOYSA-N 0 3 253.349 2.364 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1)OCO2 ZINC000284025518 344677632 /nfs/dbraw/zinc/67/76/32/344677632.db2.gz IFRGIFZBKWDIBU-JSGCOSHPSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)OCO2 ZINC000284025518 344677635 /nfs/dbraw/zinc/67/76/35/344677635.db2.gz IFRGIFZBKWDIBU-JSGCOSHPSA-N 0 3 291.347 2.264 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128219164 260373585 /nfs/dbraw/zinc/37/35/85/260373585.db2.gz PLNOHVBZBSVPQD-NEPJUHHUSA-N 0 3 285.771 2.303 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000156030999 366825023 /nfs/dbraw/zinc/82/50/23/366825023.db2.gz TXLXWHXZJCRTMV-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCOC2)c1[O-] ZINC000156030999 366825030 /nfs/dbraw/zinc/82/50/30/366825030.db2.gz TXLXWHXZJCRTMV-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000156058197 366825739 /nfs/dbraw/zinc/82/57/39/366825739.db2.gz XKPFOSABJXKNCL-CABCVRRESA-N 0 3 260.381 2.369 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000156058197 366825746 /nfs/dbraw/zinc/82/57/46/366825746.db2.gz XKPFOSABJXKNCL-CABCVRRESA-N 0 3 260.381 2.369 20 10 CECDHN O=C(C[NH2+]Cc1ccccc1[O-])N1CCCc2ccccc21 ZINC000238096082 370769763 /nfs/dbraw/zinc/76/97/63/370769763.db2.gz QUPJWUJAZMKNCA-UHFFFAOYSA-N 0 3 296.370 2.461 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1 ZINC000113338322 364888819 /nfs/dbraw/zinc/88/88/19/364888819.db2.gz CZSUDSQLOSAXHF-HNNXBMFYSA-N 0 3 298.390 2.249 20 10 CECDHN CN(CCOCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000172365387 367726701 /nfs/dbraw/zinc/72/67/01/367726701.db2.gz MRAIECHOBLNYTA-UHFFFAOYSA-N 0 3 292.423 2.118 20 10 CECDHN COc1cccc(CN2CCSC[C@H]2C)c1O ZINC000179664485 368347580 /nfs/dbraw/zinc/34/75/80/368347580.db2.gz PXHNGYDIGCVDOW-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN CCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180241516 368374883 /nfs/dbraw/zinc/37/48/83/368374883.db2.gz LOFHKFZWAMGOGL-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180241516 368374888 /nfs/dbraw/zinc/37/48/88/368374888.db2.gz LOFHKFZWAMGOGL-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC2(O)CCCCC2)cc1OC ZINC000181385426 368449661 /nfs/dbraw/zinc/44/96/61/368449661.db2.gz ZHFIMYYOPWWJOW-UHFFFAOYSA-N 0 3 295.379 2.194 20 10 CECDHN COCC1=CCN(Cc2cccc(OC)c2O)CC1 ZINC000187620210 369190718 /nfs/dbraw/zinc/19/07/18/369190718.db2.gz VYDFXUODPYEQKW-UHFFFAOYSA-N 0 3 263.337 2.179 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N(C)C)cc1 ZINC000189005757 369441186 /nfs/dbraw/zinc/44/11/86/369441186.db2.gz RCBPVKKTCPCSON-STQMWFEESA-N 0 3 277.412 2.270 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000223740358 370269678 /nfs/dbraw/zinc/26/96/78/370269678.db2.gz WGSCDTLVVLWRDX-LBPRGKRZSA-N 0 3 296.436 2.100 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1ccccc1[O-] ZINC000364357709 372735821 /nfs/dbraw/zinc/73/58/21/372735821.db2.gz DQBDHLGJBHGWKA-GOEBONIOSA-N 0 3 290.407 2.296 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1[O-] ZINC000364354475 372736274 /nfs/dbraw/zinc/73/62/74/372736274.db2.gz OXZZLEKXNAPWTO-RJZRQDKASA-N 0 3 288.391 2.442 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774297 373123272 /nfs/dbraw/zinc/12/32/72/373123272.db2.gz QMBPUTAQYWHSLM-NWDGAFQWSA-N 0 3 265.353 2.430 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774297 373123279 /nfs/dbraw/zinc/12/32/79/373123279.db2.gz QMBPUTAQYWHSLM-NWDGAFQWSA-N 0 3 265.353 2.430 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317271 373146794 /nfs/dbraw/zinc/14/67/94/373146794.db2.gz JIWFMQIRXFCWBB-BBRMVZONSA-N 0 3 290.363 2.418 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000367317271 373146805 /nfs/dbraw/zinc/14/68/05/373146805.db2.gz JIWFMQIRXFCWBB-BBRMVZONSA-N 0 3 290.363 2.418 20 10 CECDHN CCC[N@H+](Cc1cc(OC)c(OC)cc1[O-])CC(C)(C)O ZINC000271753183 373201357 /nfs/dbraw/zinc/20/13/57/373201357.db2.gz WKDZLIVPVKUFEY-UHFFFAOYSA-N 0 3 297.395 2.392 20 10 CECDHN CCC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])CC(C)(C)O ZINC000271753183 373201361 /nfs/dbraw/zinc/20/13/61/373201361.db2.gz WKDZLIVPVKUFEY-UHFFFAOYSA-N 0 3 297.395 2.392 20 10 CECDHN Cc1nccn1CCC[NH2+]Cc1cccc(C)c1[O-] ZINC000271793572 373201615 /nfs/dbraw/zinc/20/16/15/373201615.db2.gz ATNBLMWORXIVTP-UHFFFAOYSA-N 0 3 259.353 2.385 20 10 CECDHN Cc1cccc(C[NH2+]C[C@](C)(O)c2ccco2)c1[O-] ZINC000271846875 373204621 /nfs/dbraw/zinc/20/46/21/373204621.db2.gz RZAVVLPKPVTNCM-HNNXBMFYSA-N 0 3 261.321 2.291 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C ZINC000368963202 373301156 /nfs/dbraw/zinc/30/11/56/373301156.db2.gz IOSZHQATWLYBJD-NOLJZWGESA-N 0 3 288.391 2.095 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1C ZINC000368963202 373301160 /nfs/dbraw/zinc/30/11/60/373301160.db2.gz IOSZHQATWLYBJD-NOLJZWGESA-N 0 3 288.391 2.095 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCCSCC2)c1 ZINC000272759216 373646821 /nfs/dbraw/zinc/64/68/21/373646821.db2.gz LDNCGDWTGOYKOV-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCCSCC2)c1 ZINC000272759216 373646831 /nfs/dbraw/zinc/64/68/31/373646831.db2.gz LDNCGDWTGOYKOV-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273567926 373764009 /nfs/dbraw/zinc/76/40/09/373764009.db2.gz JYPVYINEVGVRGN-HUUCEWRRSA-N 0 3 292.423 2.380 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000375301231 374651337 /nfs/dbraw/zinc/65/13/37/374651337.db2.gz FQLAXIANTVNBKJ-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000375301231 374651344 /nfs/dbraw/zinc/65/13/44/374651344.db2.gz FQLAXIANTVNBKJ-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CC[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000281203108 375362917 /nfs/dbraw/zinc/36/29/17/375362917.db2.gz SEMTYNCSGDGFAQ-LBPRGKRZSA-N 0 3 283.393 2.010 20 10 CECDHN CCCN(CCC)c1ccc(CNC[C@@H](O)COC)cc1 ZINC000282657184 375541176 /nfs/dbraw/zinc/54/11/76/375541176.db2.gz MNXAFHWYAOMJGU-QGZVFWFLSA-N 0 3 294.439 2.410 20 10 CECDHN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000284415587 375827516 /nfs/dbraw/zinc/82/75/16/375827516.db2.gz QMHTWGDAJDUUCQ-ITDIGPHOSA-N 0 3 299.386 2.340 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000284940799 375832621 /nfs/dbraw/zinc/83/26/21/375832621.db2.gz DUTQUSDYPAIOMS-ZNMIVQPWSA-N 0 3 293.407 2.305 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@H]2O)c1 ZINC000288507092 376378757 /nfs/dbraw/zinc/37/87/57/376378757.db2.gz ILPRUTUVFDXGPK-RHSMWYFYSA-N 0 3 285.343 2.285 20 10 CECDHN COc1ccc(CNCCc2nnc(C)s2)cc1C ZINC000289873628 376538489 /nfs/dbraw/zinc/53/84/89/376538489.db2.gz PCUKMZQQJNHPMZ-UHFFFAOYSA-N 0 3 277.393 2.496 20 10 CECDHN CC[C@@H](C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000294115504 377911137 /nfs/dbraw/zinc/91/11/37/377911137.db2.gz DFXDIFZVMOOCEC-BMIGLBTASA-N 0 3 281.352 2.272 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294657401 378002943 /nfs/dbraw/zinc/00/29/43/378002943.db2.gz HDTMNAWOOVPSDG-CHWSQXEVSA-N 0 3 299.436 2.483 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1c(C)cc(C)cc1O ZINC000294657401 378002949 /nfs/dbraw/zinc/00/29/49/378002949.db2.gz HDTMNAWOOVPSDG-CHWSQXEVSA-N 0 3 299.436 2.483 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)F ZINC000294993170 378034058 /nfs/dbraw/zinc/03/40/58/378034058.db2.gz HULLJVVLQXNGGL-ONGXEEELSA-N 0 3 263.259 2.026 20 10 CECDHN COC(=O)N1CC(N[C@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294821627 378022706 /nfs/dbraw/zinc/02/27/06/378022706.db2.gz QKCMVLIXHJYLPT-LLVKDONJSA-N 0 3 278.352 2.110 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294864932 378025459 /nfs/dbraw/zinc/02/54/59/378025459.db2.gz UFBHXGUPWLRDKS-QGZVFWFLSA-N 0 3 299.370 2.252 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H](O)C1 ZINC000294864932 378025465 /nfs/dbraw/zinc/02/54/65/378025465.db2.gz UFBHXGUPWLRDKS-QGZVFWFLSA-N 0 3 299.370 2.252 20 10 CECDHN COCCN(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295432976 378155508 /nfs/dbraw/zinc/15/55/08/378155508.db2.gz FVZLFSQCORZISH-UHFFFAOYSA-N 0 3 292.423 2.380 20 10 CECDHN CS(=O)(=O)CCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296349052 378500163 /nfs/dbraw/zinc/50/01/63/378500163.db2.gz HIHJZMNDVJWJRM-CYBMUJFWSA-N 0 3 297.420 2.184 20 10 CECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)ccc1[O-] ZINC000529651845 380182127 /nfs/dbraw/zinc/18/21/27/380182127.db2.gz MDJLQICQQCPLCS-KGLIPLIRSA-N 0 3 251.326 2.058 20 10 CECDHN CCO[C@@]1(C)C[C@H]1NCc1cc(OC)ccc1O ZINC000529651845 380182130 /nfs/dbraw/zinc/18/21/30/380182130.db2.gz MDJLQICQQCPLCS-KGLIPLIRSA-N 0 3 251.326 2.058 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530178022 380196040 /nfs/dbraw/zinc/19/60/40/380196040.db2.gz NJRGPTGUVYPDRV-ZDUSSCGKSA-N 0 3 266.772 2.420 20 10 CECDHN Oc1ccccc1CNc1ccc2c(c1)OCCNC2 ZINC000530181197 380196077 /nfs/dbraw/zinc/19/60/77/380196077.db2.gz INLFHHMEQQZLFM-UHFFFAOYSA-N 0 3 270.332 2.486 20 10 CECDHN CN(C)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237017226 394490426 /nfs/dbraw/zinc/49/04/26/394490426.db2.gz ONTVNABODVQLNC-QGZVFWFLSA-N 0 3 297.402 2.230 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1[O-] ZINC000237209234 394490804 /nfs/dbraw/zinc/49/08/04/394490804.db2.gz VGRSMBQUDJUETH-CQSZACIVSA-N 0 3 291.322 2.363 20 10 CECDHN Cc1ccc(O)c(CN2CCCN(C(=O)C3CC3)CC2)c1 ZINC000119101131 394763509 /nfs/dbraw/zinc/76/35/09/394763509.db2.gz OSBSVBGIUQSFNT-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000360256287 394795130 /nfs/dbraw/zinc/79/51/30/394795130.db2.gz YJOBPNREOFXUAW-CQSZACIVSA-N 0 3 299.374 2.146 20 10 CECDHN CCC[C@@H](C(=O)NCc1ccc2c(c1)CCN2C)N(C)C ZINC000364399232 394898183 /nfs/dbraw/zinc/89/81/83/394898183.db2.gz HZMYWIMRXVWTOK-INIZCTEOSA-N 0 3 289.423 2.025 20 10 CECDHN CCOc1cccc(C[N@H+](C)[C@H](C)COC)c1[O-] ZINC000132682580 394935400 /nfs/dbraw/zinc/93/54/00/394935400.db2.gz VCHJIMQHXYGXRV-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1cccc(C[N@@H+](C)[C@H](C)COC)c1[O-] ZINC000132682580 394935403 /nfs/dbraw/zinc/93/54/03/394935403.db2.gz VCHJIMQHXYGXRV-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287144175 395034798 /nfs/dbraw/zinc/03/47/98/395034798.db2.gz AUYJURBQZQDIAM-LBPRGKRZSA-N 0 3 267.369 2.139 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000293518893 395237102 /nfs/dbraw/zinc/23/71/02/395237102.db2.gz AWTIVCZJLYDYNT-MRXNPFEDSA-N 0 3 291.391 2.050 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N(C)C)c1 ZINC000020125831 171008856 /nfs/dbraw/zinc/00/88/56/171008856.db2.gz RTNAXPCIVVLELT-LLVKDONJSA-N 0 3 266.385 2.392 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000020208966 171072962 /nfs/dbraw/zinc/07/29/62/171072962.db2.gz ASOCTUIMADJRAU-QMTHXVAHSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)c2ccccc2)c1[O-] ZINC000035601309 172290370 /nfs/dbraw/zinc/29/03/70/172290370.db2.gz CKEKXRPSXALJQJ-AWEZNQCLSA-N 0 3 273.332 2.224 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1cc(F)ccc1[O-] ZINC000367177466 227052527 /nfs/dbraw/zinc/05/25/27/227052527.db2.gz ALOXNNZVIFVWAT-BPNCWPANSA-N 0 3 292.354 2.335 20 10 CECDHN COc1ccc(CN[C@H](C)[C@@H](CO)SC)cc1C ZINC000219070491 419463444 /nfs/dbraw/zinc/46/34/44/419463444.db2.gz MJDOZKVMJSMPLJ-BXUZGUMPSA-N 0 3 269.410 2.206 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000036932889 260052202 /nfs/dbraw/zinc/05/22/02/260052202.db2.gz RSRDIOIWMBTULR-ZFWWWQNUSA-N 0 3 278.396 2.154 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])CC(OC)OC ZINC000161328071 261244670 /nfs/dbraw/zinc/24/46/70/261244670.db2.gz TXGUBTQYSIJVRP-UHFFFAOYSA-N 0 3 253.342 2.223 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])CC(OC)OC ZINC000161328071 261244672 /nfs/dbraw/zinc/24/46/72/261244672.db2.gz TXGUBTQYSIJVRP-UHFFFAOYSA-N 0 3 253.342 2.223 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2ccco2)c1 ZINC000184916973 262033451 /nfs/dbraw/zinc/03/34/51/262033451.db2.gz DMOKPKRHAQSFHD-LBPRGKRZSA-N 0 3 288.347 2.374 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000185771360 262069678 /nfs/dbraw/zinc/06/96/78/262069678.db2.gz IFHGJSABFSIRSJ-AWEZNQCLSA-N 0 3 292.379 2.329 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185787919 262070722 /nfs/dbraw/zinc/07/07/22/262070722.db2.gz YTIBJUGELYAXCX-VXGBXAGGSA-N 0 3 292.379 2.062 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000185788533 262070765 /nfs/dbraw/zinc/07/07/65/262070765.db2.gz UHGFOBPWLBJWAZ-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000186109467 262080038 /nfs/dbraw/zinc/08/00/38/262080038.db2.gz LVNIOANKYQMDTD-CHWSQXEVSA-N 0 3 291.395 2.155 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149569 262081701 /nfs/dbraw/zinc/08/17/01/262081701.db2.gz IKWLLMFMQSMMAC-ZDUSSCGKSA-N 0 3 279.380 2.140 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)CCOCC2)c1 ZINC000186149553 262081853 /nfs/dbraw/zinc/08/18/53/262081853.db2.gz IKWLLMFMQSMMAC-CYBMUJFWSA-N 0 3 279.380 2.140 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000367547146 267098150 /nfs/dbraw/zinc/09/81/50/267098150.db2.gz RDLMCRHBKVBAIQ-ZFWWWQNUSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000367547146 267098157 /nfs/dbraw/zinc/09/81/57/267098157.db2.gz RDLMCRHBKVBAIQ-ZFWWWQNUSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000368331505 267163316 /nfs/dbraw/zinc/16/33/16/267163316.db2.gz KALPXDXSFBDPDC-XPCVCDNBSA-N 0 3 288.391 2.361 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H]3[C@H](CO)[C@H]3C2)cc1F ZINC000368346155 267164971 /nfs/dbraw/zinc/16/49/71/267164971.db2.gz BQPLMBSEJQIKAX-FICVDOATSA-N 0 3 292.398 2.342 20 10 CECDHN COc1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000369378790 267238690 /nfs/dbraw/zinc/23/86/90/267238690.db2.gz VCACZRBFKOQYGU-UHFFFAOYSA-N 0 3 299.370 2.020 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@](O)(C3CC3)C2)cc1F ZINC000369676694 267260044 /nfs/dbraw/zinc/26/00/44/267260044.db2.gz RRFLYMWBFQQLFG-INIZCTEOSA-N 0 3 278.371 2.239 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000369925694 267277161 /nfs/dbraw/zinc/27/71/61/267277161.db2.gz XBGSCINSGFVKPA-JSGCOSHPSA-N 0 3 272.352 2.382 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](n2cncn2)C1 ZINC000369925694 267277163 /nfs/dbraw/zinc/27/71/63/267277163.db2.gz XBGSCINSGFVKPA-JSGCOSHPSA-N 0 3 272.352 2.382 20 10 CECDHN CN(CC[NH2+][C@@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000297911652 276843954 /nfs/dbraw/zinc/84/39/54/276843954.db2.gz WRBBAELSPQDMRJ-LLVKDONJSA-N 0 3 288.313 2.463 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000278659758 277263556 /nfs/dbraw/zinc/26/35/56/277263556.db2.gz FHZYLGQBHUXCRL-ZLDLUXBVSA-N 0 3 265.353 2.237 20 10 CECDHN CC[C@@H](c1ccccc1O)N1CC[C@](F)(C(=O)OC)C1 ZINC000364637124 280219096 /nfs/dbraw/zinc/21/90/96/280219096.db2.gz OCEKWNKVRAOSGA-SWLSCSKDSA-N 0 3 281.327 2.430 20 10 CECDHN COc1cccc(C[NH2+]CC[C@@H]2CCCOC2)c1[O-] ZINC000527739356 297743029 /nfs/dbraw/zinc/74/30/29/297743029.db2.gz MOMUAZCKVLYZDR-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1[O-] ZINC000272861329 328201145 /nfs/dbraw/zinc/20/11/45/328201145.db2.gz MXZVZROCIBONSB-GZMMTYOYSA-N 0 3 263.259 2.356 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000226618168 329262235 /nfs/dbraw/zinc/26/22/35/329262235.db2.gz VCKXSESNABGUED-OCCSQVGLSA-N 0 3 251.301 2.188 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(F)ccc1[O-] ZINC000186115736 329338142 /nfs/dbraw/zinc/33/81/42/329338142.db2.gz SMNYHSQUKUCIBW-CABZTGNLSA-N 0 3 275.327 2.463 20 10 CECDHN COc1cc(C[NH2+]Cc2ccccc2[O-])cc(OC)c1O ZINC000134235392 334085071 /nfs/dbraw/zinc/08/50/71/334085071.db2.gz LEDFEECPVXXLDS-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN CC(C)(C)OC(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000134289439 334087019 /nfs/dbraw/zinc/08/70/19/334087019.db2.gz LDLOEJVRITVDGL-UHFFFAOYSA-N 0 3 266.341 2.007 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000277911705 521155142 /nfs/dbraw/zinc/15/51/42/521155142.db2.gz PMJYBSHARPNMHC-SMDDNHRTSA-N 0 3 265.353 2.306 20 10 CECDHN CC(C)N(C)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000299305536 519611762 /nfs/dbraw/zinc/61/17/62/519611762.db2.gz CYDQMEFCTKDTLC-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H]2COC[C@@H]2OC)cc1 ZINC000290311681 520289911 /nfs/dbraw/zinc/28/99/11/520289911.db2.gz ZVTWRWXYVSXHGR-RCBQFDQVSA-N 0 3 278.396 2.207 20 10 CECDHN CCN(CC)[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000279711613 520859922 /nfs/dbraw/zinc/85/99/22/520859922.db2.gz SRAACEPDBKBASY-LLVKDONJSA-N 0 3 254.349 2.351 20 10 CECDHN CCN(CC)c1ccc(CNCC(=O)NCC(F)F)cc1 ZINC000280291068 520906012 /nfs/dbraw/zinc/90/60/12/520906012.db2.gz MSKKJWGILLCBAI-UHFFFAOYSA-N 0 3 299.365 2.004 20 10 CECDHN CCC[C@@]1(CO)CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000290247287 520966727 /nfs/dbraw/zinc/96/67/27/520966727.db2.gz VITFQESPNZASBE-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000290247287 520966734 /nfs/dbraw/zinc/96/67/34/520966734.db2.gz VITFQESPNZASBE-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(CN2CCN(CC3CC3)CC2)c1O ZINC000130658261 521340811 /nfs/dbraw/zinc/34/08/11/521340811.db2.gz FSJUXQWSKMMWKO-UHFFFAOYSA-N 0 3 290.407 2.319 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c1[O-] ZINC000193496882 521374097 /nfs/dbraw/zinc/37/40/97/521374097.db2.gz UMKPFOIZTFPYSL-WCQYABFASA-N 0 3 293.363 2.222 20 10 CECDHN CN(C)c1ccc(CNCC2([S@](C)=O)CCC2)cc1 ZINC000280647277 522205303 /nfs/dbraw/zinc/20/53/03/522205303.db2.gz NWTTZJGVCHFNRF-IBGZPJMESA-N 0 3 280.437 2.143 20 10 CECDHN COC(=O)C1(CNCc2ccc(OC)c(C)c2)CC1 ZINC000258994223 522832707 /nfs/dbraw/zinc/83/27/07/522832707.db2.gz NGWIFROBIQOESX-UHFFFAOYSA-N 0 3 263.337 2.046 20 10 CECDHN COCC1(C[NH2+]Cc2cccc(C)c2[O-])CCOCC1 ZINC000292820668 522900692 /nfs/dbraw/zinc/90/06/92/522900692.db2.gz PXRVXPKDYQBLKV-UHFFFAOYSA-N 0 3 279.380 2.233 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084063231 522922762 /nfs/dbraw/zinc/92/27/62/522922762.db2.gz CKFZPAOQMBPRSH-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1CO ZINC000276747754 524510313 /nfs/dbraw/zinc/51/03/13/524510313.db2.gz LIUHBYCGGRJQAB-IAQYHMDHSA-N 0 3 266.360 2.094 20 10 CECDHN Cc1cc(CN2CCC[C@H](n3cncn3)C2)ccc1N(C)C ZINC000292941218 524688252 /nfs/dbraw/zinc/68/82/52/524688252.db2.gz BLJRJTCPSWZDFO-INIZCTEOSA-N 0 3 299.422 2.490 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000291712566 524755031 /nfs/dbraw/zinc/75/50/31/524755031.db2.gz ZZIBNNOENVBKHF-GFCCVEGCSA-N 0 3 266.385 2.219 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CN2CCCCC2)c1 ZINC000037153259 524756326 /nfs/dbraw/zinc/75/63/26/524756326.db2.gz QMSMNZIMDWTLDX-CYBMUJFWSA-N 0 3 278.396 2.365 20 10 CECDHN Cc1cc(O)c(CN2CCC(F)(F)[C@H](CO)C2)cc1C ZINC000291022854 525316987 /nfs/dbraw/zinc/31/69/87/525316987.db2.gz AMZLUFXKZJQYQP-ZDUSSCGKSA-N 0 3 285.334 2.459 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000279709354 525342391 /nfs/dbraw/zinc/34/23/91/525342391.db2.gz SHXYKRFMWVMQMO-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000128119629 525359017 /nfs/dbraw/zinc/35/90/17/525359017.db2.gz WNVYOIFFEFVXDG-GFCCVEGCSA-N 0 3 259.353 2.327 20 10 CECDHN Cc1cccnc1CNCc1cc2c(cc1O)OCO2 ZINC000071339990 525525786 /nfs/dbraw/zinc/52/57/86/525525786.db2.gz OYNBHCFMCSVGOH-UHFFFAOYSA-N 0 3 272.304 2.114 20 10 CECDHN C[C@H](O)C1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000130406543 525701201 /nfs/dbraw/zinc/70/12/01/525701201.db2.gz MZXXHCBLDDZXRF-LBPRGKRZSA-N 0 3 280.387 2.485 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297385139 525750356 /nfs/dbraw/zinc/75/03/56/525750356.db2.gz RKLJQYVQGIUJOI-CABCVRRESA-N 0 3 292.423 2.198 20 10 CECDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000130666738 526158406 /nfs/dbraw/zinc/15/84/06/526158406.db2.gz GMANEQPHLFYILW-VIFPVBQESA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000130666738 526158408 /nfs/dbraw/zinc/15/84/08/526158408.db2.gz GMANEQPHLFYILW-VIFPVBQESA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000187259475 526159814 /nfs/dbraw/zinc/15/98/14/526159814.db2.gz WSIIXGHUUHXWOV-IUCAKERBSA-N 0 3 288.185 2.495 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCC[C@H](C)C1 ZINC000731869559 574604447 /nfs/dbraw/zinc/60/44/47/574604447.db2.gz LMTLJUPCRFSHMZ-WDEREUQCSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCC[C@H](C)C1 ZINC000731869559 574604449 /nfs/dbraw/zinc/60/44/49/574604449.db2.gz LMTLJUPCRFSHMZ-WDEREUQCSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCCC[C@H]1C ZINC000732271200 574616830 /nfs/dbraw/zinc/61/68/30/574616830.db2.gz QRFLTHLODUJGOC-GHMZBOCLSA-N 0 3 282.409 2.446 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCCC[C@H]1C ZINC000732271200 574616831 /nfs/dbraw/zinc/61/68/31/574616831.db2.gz QRFLTHLODUJGOC-GHMZBOCLSA-N 0 3 282.409 2.446 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)C(C)(C)O)c1 ZINC000734841329 574731341 /nfs/dbraw/zinc/73/13/41/574731341.db2.gz MBCFOBRPYMWWDD-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000743499638 575105458 /nfs/dbraw/zinc/10/54/58/575105458.db2.gz LKMNZKXEPWSJTC-AAEUAGOBSA-N 0 3 267.369 2.288 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000744449897 575121575 /nfs/dbraw/zinc/12/15/75/575121575.db2.gz HMQAZUKFIDHXQT-CYBMUJFWSA-N 0 3 278.396 2.222 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCN2CC[C@@H](C)C2)cc1C ZINC000744450603 575121670 /nfs/dbraw/zinc/12/16/70/575121670.db2.gz XMKGWTOXZUWCQU-GFCCVEGCSA-N 0 3 262.397 2.440 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C)CC(N)=O)cc1F ZINC000749132694 575206727 /nfs/dbraw/zinc/20/67/27/575206727.db2.gz VCOBQKCCOFHNIW-LLVKDONJSA-N 0 3 281.375 2.025 20 10 CECDHN C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000749544847 575224971 /nfs/dbraw/zinc/22/49/71/575224971.db2.gz QBUGMXGGHXGXOT-NXEZZACHSA-N 0 3 268.382 2.056 20 10 CECDHN Cc1cc(N)nc(NCCCSc2nccs2)n1 ZINC000892515215 625848405 /nfs/dbraw/zinc/84/84/05/625848405.db2.gz IXVGRGJBEWPXQZ-UHFFFAOYSA-N 0 3 281.410 2.418 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](C)[C@H]1C ZINC000841692496 628922451 /nfs/dbraw/zinc/92/24/51/628922451.db2.gz RRWQGVNHONOLIZ-LMCGPQHNSA-N 0 3 277.364 2.294 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H](C)[C@H]1C ZINC000841692496 628922455 /nfs/dbraw/zinc/92/24/55/628922455.db2.gz RRWQGVNHONOLIZ-LMCGPQHNSA-N 0 3 277.364 2.294 20 10 CECDHN Cc1ccc(O)c(CN2CC(CO)(c3ccccc3)C2)c1 ZINC000840969772 628953127 /nfs/dbraw/zinc/95/31/27/628953127.db2.gz KBXKPOZYPHPSRK-UHFFFAOYSA-N 0 3 283.371 2.447 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1COCCO1)c1ccc(C)cc1[O-] ZINC000794798810 629324315 /nfs/dbraw/zinc/32/43/15/629324315.db2.gz YTKPCXNXOGTBKN-GXTWGEPZSA-N 0 3 265.353 2.157 20 10 CECDHN CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(C)cc1[O-] ZINC000794815021 629327373 /nfs/dbraw/zinc/32/73/73/629327373.db2.gz HBNMINGVLHAFNQ-LBPRGKRZSA-N 0 3 264.369 2.253 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000794828726 629332323 /nfs/dbraw/zinc/33/23/23/629332323.db2.gz NAUYICBHIQUSJE-LBPRGKRZSA-N 0 3 297.420 2.319 20 10 CECDHN Cc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)c([O-])c1 ZINC000894793858 629650176 /nfs/dbraw/zinc/65/01/76/629650176.db2.gz KZVNNYCQYBOXMI-OAHLLOKOSA-N 0 3 265.353 2.333 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797071303 630125156 /nfs/dbraw/zinc/12/51/56/630125156.db2.gz RFDUDFZXJYRDEU-DGCLKSJQSA-N 0 3 297.420 2.399 20 10 CECDHN CC1=C[C@H](C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797419428 630232909 /nfs/dbraw/zinc/23/29/09/630232909.db2.gz LPZCKAFTRTVKMQ-ZUZCIYMTSA-N 0 3 275.348 2.216 20 10 CECDHN CC1=C[C@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000797419428 630232916 /nfs/dbraw/zinc/23/29/16/630232916.db2.gz LPZCKAFTRTVKMQ-ZUZCIYMTSA-N 0 3 275.348 2.216 20 10 CECDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000895857384 630379293 /nfs/dbraw/zinc/37/92/93/630379293.db2.gz BLYPNKYOGBYRLK-CABCVRRESA-N 0 3 279.380 2.232 20 10 CECDHN CO[C@]12CCC[C@@]1(NCc1ccc3c(c1)CCO3)CCO2 ZINC000896413217 630558120 /nfs/dbraw/zinc/55/81/20/630558120.db2.gz LYTUKQVHUCHHMR-SJORKVTESA-N 0 3 289.375 2.397 20 10 CECDHN COCCOc1ccc(C[NH2+]Cc2c([O-])cccc2F)o1 ZINC000896638669 630621817 /nfs/dbraw/zinc/62/18/17/630621817.db2.gz KLRXKPUUXQEMET-UHFFFAOYSA-N 0 3 295.310 2.439 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCS(C)(=O)=O)c1[O-] ZINC000808683846 632000583 /nfs/dbraw/zinc/00/05/83/632000583.db2.gz KIVAYRQNJWQWBU-SECBINFHSA-N 0 3 291.800 2.049 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709941 632003761 /nfs/dbraw/zinc/00/37/61/632003761.db2.gz JIMLKGZUGNTZQW-ZYHUDNBSSA-N 0 3 287.787 2.402 20 10 CECDHN C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccccc1[O-] ZINC000810242988 632197575 /nfs/dbraw/zinc/19/75/75/632197575.db2.gz VJIYZUGXXMXQRG-LBPRGKRZSA-N 0 3 284.359 2.271 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCC1(F)F ZINC000811780533 632444940 /nfs/dbraw/zinc/44/49/40/632444940.db2.gz OKYWLVRPEXVOBP-NOZJJQNGSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCC1(F)F ZINC000811780533 632444944 /nfs/dbraw/zinc/44/49/44/632444944.db2.gz OKYWLVRPEXVOBP-NOZJJQNGSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OC[C@H]3O)CCC1(F)F ZINC000811780533 632444946 /nfs/dbraw/zinc/44/49/46/632444946.db2.gz OKYWLVRPEXVOBP-NOZJJQNGSA-N 0 3 299.317 2.295 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898393864 632479636 /nfs/dbraw/zinc/47/96/36/632479636.db2.gz UZDXSQPTYLXGKP-RHSMWYFYSA-N 0 3 285.343 2.149 20 10 CECDHN COCC(C)(C)C[NH2+]Cc1c([O-])cccc1OC ZINC000813790284 632735095 /nfs/dbraw/zinc/73/50/95/632735095.db2.gz LRMDYLSJUNDVKT-UHFFFAOYSA-N 0 3 253.342 2.163 20 10 CECDHN CNC(=O)C1(NCc2ccc(N(C)C)c(C)c2)CCCC1 ZINC000815069325 632953693 /nfs/dbraw/zinc/95/36/93/632953693.db2.gz DVEVWJFISAUXMJ-UHFFFAOYSA-N 0 3 289.423 2.209 20 10 CECDHN CN(C)C(=O)OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000816655287 633457807 /nfs/dbraw/zinc/45/78/07/633457807.db2.gz ZVDZPSBHBOWPAE-UHFFFAOYSA-N 0 3 278.352 2.055 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC000816667146 633460461 /nfs/dbraw/zinc/46/04/61/633460461.db2.gz DSVBQHFCFKVJDE-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC000816667146 633460464 /nfs/dbraw/zinc/46/04/64/633460464.db2.gz DSVBQHFCFKVJDE-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130373 635576363 /nfs/dbraw/zinc/57/63/63/635576363.db2.gz WZTCQOIJUHSAMZ-BXUZGUMPSA-N 0 3 299.798 2.326 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)c1[O-] ZINC000825130373 635576364 /nfs/dbraw/zinc/57/63/64/635576364.db2.gz WZTCQOIJUHSAMZ-BXUZGUMPSA-N 0 3 299.798 2.326 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c([O-])c1 ZINC000825338667 635620053 /nfs/dbraw/zinc/62/00/53/635620053.db2.gz SWDSQVAALZTBQJ-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](CCCO)C2)c([O-])c1 ZINC000825338667 635620056 /nfs/dbraw/zinc/62/00/56/635620056.db2.gz SWDSQVAALZTBQJ-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827140539 636234189 /nfs/dbraw/zinc/23/41/89/636234189.db2.gz LFASDSPVERHSSO-ZDUSSCGKSA-N 0 3 285.771 2.201 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2COCCO2)c1[O-] ZINC000827140539 636234197 /nfs/dbraw/zinc/23/41/97/636234197.db2.gz LFASDSPVERHSSO-ZDUSSCGKSA-N 0 3 285.771 2.201 20 10 CECDHN Cn1ncc(C2CC2)c1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000827251791 636269274 /nfs/dbraw/zinc/26/92/74/636269274.db2.gz NPNCIMUMDMBLKD-UHFFFAOYSA-N 0 3 275.327 2.432 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827903601 636455904 /nfs/dbraw/zinc/45/59/04/636455904.db2.gz LLIVJLUCCIYPFO-UHFFFAOYSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827903601 636455908 /nfs/dbraw/zinc/45/59/08/636455908.db2.gz LLIVJLUCCIYPFO-UHFFFAOYSA-N 0 3 255.745 2.311 20 10 CECDHN CCOc1ccc(C[N@H+](C)C2(CO)CCC2)c([O-])c1 ZINC000827903428 636456591 /nfs/dbraw/zinc/45/65/91/636456591.db2.gz HOQQKIWIRHLSOS-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C2(CO)CCC2)c([O-])c1 ZINC000827903428 636456594 /nfs/dbraw/zinc/45/65/94/636456594.db2.gz HOQQKIWIRHLSOS-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000829516014 636873151 /nfs/dbraw/zinc/87/31/51/636873151.db2.gz MPTBWFTYDCTXCA-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC000829516014 636873156 /nfs/dbraw/zinc/87/31/56/636873156.db2.gz MPTBWFTYDCTXCA-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN Cc1ccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c([O-])c1 ZINC000876542632 650314171 /nfs/dbraw/zinc/31/41/71/650314171.db2.gz RAJCKVOYJQRYDJ-UHFFFAOYSA-N 0 3 276.380 2.001 20 10 CECDHN Cc1ccc(C[NH+]2CCC(c3nncn3C)CC2)c([O-])c1 ZINC000876610866 650358033 /nfs/dbraw/zinc/35/80/33/650358033.db2.gz KQMOJSFENIEZHL-UHFFFAOYSA-N 0 3 286.379 2.209 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834667881 637912516 /nfs/dbraw/zinc/91/25/16/637912516.db2.gz CPLIKRGHCCOIDC-DGCLKSJQSA-N 0 3 265.353 2.021 20 10 CECDHN Cc1cnc(CC[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000834908123 637985226 /nfs/dbraw/zinc/98/52/26/637985226.db2.gz HAASDHJDDIFJNS-LBPRGKRZSA-N 0 3 257.337 2.384 20 10 CECDHN CCN(C)C(=O)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835049129 638038712 /nfs/dbraw/zinc/03/87/12/638038712.db2.gz BRHMMOZDSCRCKX-DANTVBBOSA-N 0 3 289.423 2.222 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000876815459 650443844 /nfs/dbraw/zinc/44/38/44/650443844.db2.gz YELUBYHIFIKIDG-INMHGKMJSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000876900246 650478963 /nfs/dbraw/zinc/47/89/63/650478963.db2.gz WPXBRDJFUPMVJR-CQSZACIVSA-N 0 3 279.380 2.376 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876946727 650500667 /nfs/dbraw/zinc/50/06/67/650500667.db2.gz PZWWWFPPKXLJPB-GFCCVEGCSA-N 0 3 264.369 2.095 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000226612775 639555628 /nfs/dbraw/zinc/55/56/28/639555628.db2.gz WRGSLHMGTXPBLZ-GWCFXTLKSA-N 0 3 252.333 2.104 20 10 CECDHN CC[C@H]([NH2+]Cc1c([O-])cccc1OC)[C@H](O)C(C)C ZINC000840966477 639603539 /nfs/dbraw/zinc/60/35/39/639603539.db2.gz GBWDDXLGQGAIQW-SWLSCSKDSA-N 0 3 267.369 2.286 20 10 CECDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840976688 639607887 /nfs/dbraw/zinc/60/78/87/639607887.db2.gz PXGNJGBGMXNGKH-ZDUSSCGKSA-N 0 3 280.343 2.020 20 10 CECDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000840976688 639607889 /nfs/dbraw/zinc/60/78/89/639607889.db2.gz PXGNJGBGMXNGKH-ZDUSSCGKSA-N 0 3 280.343 2.020 20 10 CECDHN CCC[NH2+]CCNCc1cc(Br)ccc1[O-] ZINC000841046639 639630894 /nfs/dbraw/zinc/63/08/94/639630894.db2.gz KDQDTTPTYHMIFT-UHFFFAOYSA-N 0 3 287.201 2.244 20 10 CECDHN CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000841044850 639631214 /nfs/dbraw/zinc/63/12/14/639631214.db2.gz ZEDVMYBIUXFPQZ-INIZCTEOSA-N 0 3 285.391 2.248 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CN[C@@H]1CCC[NH2+]CC1 ZINC000841057880 639635527 /nfs/dbraw/zinc/63/55/27/639635527.db2.gz LSRCMYOUNPDCSI-SECBINFHSA-N 0 3 272.751 2.416 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)CO)c1[O-] ZINC000228676637 639652808 /nfs/dbraw/zinc/65/28/08/639652808.db2.gz VAFBFFHRLOZARJ-UHFFFAOYSA-N 0 3 273.760 2.162 20 10 CECDHN Cc1ccc(C[NH2+]C[C@]2(N(C)C)CCSC2)c([O-])c1 ZINC000877076750 650561971 /nfs/dbraw/zinc/56/19/71/650561971.db2.gz UOGCCBIPOWLORS-OAHLLOKOSA-N 0 3 280.437 2.228 20 10 CECDHN C[C@H]([NH3+])[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843057243 640260419 /nfs/dbraw/zinc/26/04/19/640260419.db2.gz HLDLCABARLOYOP-UWVGGRQHSA-N 0 3 299.212 2.324 20 10 CECDHN CN(C)c1ccc(CN2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000844461156 640736356 /nfs/dbraw/zinc/73/63/56/640736356.db2.gz ITDWAWRZQMJVKV-BETUJISGSA-N 0 3 252.308 2.450 20 10 CECDHN O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000844741344 640822987 /nfs/dbraw/zinc/82/29/87/640822987.db2.gz KXFYFBKHAVCZQS-QAJFTPDKSA-N 0 3 287.384 2.251 20 10 CECDHN O=[S@]1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000844741344 640822989 /nfs/dbraw/zinc/82/29/89/640822989.db2.gz KXFYFBKHAVCZQS-QAJFTPDKSA-N 0 3 287.384 2.251 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2ccc(CO)o2)c1 ZINC000845972375 641141612 /nfs/dbraw/zinc/14/16/12/641141612.db2.gz NTWDPSDXQZHOAM-JTQLQIEISA-N 0 3 277.320 2.337 20 10 CECDHN COc1cccc([C@H](C)N[C@H]2CCN(C(C)C)C2=O)c1O ZINC000846152877 641204057 /nfs/dbraw/zinc/20/40/57/641204057.db2.gz VGNNQNRUNDFKQD-AAEUAGOBSA-N 0 3 292.379 2.061 20 10 CECDHN CC[C@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C ZINC000846475811 641312166 /nfs/dbraw/zinc/31/21/66/641312166.db2.gz JYZDJQVDTDKXPH-LLVKDONJSA-N 0 3 270.760 2.002 20 10 CECDHN CN(Cc1ccc[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000180173812 641424326 /nfs/dbraw/zinc/42/43/26/641424326.db2.gz MMGJLHWRVYOPKP-UHFFFAOYSA-N 0 3 285.391 2.483 20 10 CECDHN C[C@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759752 641762371 /nfs/dbraw/zinc/76/23/71/641762371.db2.gz CJEQQJMJDMVFTP-KGLIPLIRSA-N 0 3 289.423 2.272 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000185777045 642027670 /nfs/dbraw/zinc/02/76/70/642027670.db2.gz IATOOUWEXZQOHM-BBRMVZONSA-N 0 3 279.380 2.140 20 10 CECDHN C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185791786 642029292 /nfs/dbraw/zinc/02/92/92/642029292.db2.gz AJFVKUYWZVEZAR-UWVGGRQHSA-N 0 3 289.372 2.005 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000848569086 642058588 /nfs/dbraw/zinc/05/85/88/642058588.db2.gz BUIQXLRKZMCVDE-CABZTGNLSA-N 0 3 294.326 2.165 20 10 CECDHN CCc1cccc(CN2CC[C@H](C)C[C@@H]2C(N)=O)c1O ZINC000848904264 642181824 /nfs/dbraw/zinc/18/18/24/642181824.db2.gz OSBXTBHFYIUPQA-SMDDNHRTSA-N 0 3 276.380 2.040 20 10 CECDHN Cn1ncc(C(F)(F)F)c1CNCc1ccccc1O ZINC000850113617 642584475 /nfs/dbraw/zinc/58/44/75/642584475.db2.gz OPXPCHZRIUJBNK-UHFFFAOYSA-N 0 3 285.269 2.434 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1cnc2n1CCC2 ZINC000850139528 642592617 /nfs/dbraw/zinc/59/26/17/642592617.db2.gz QQRPLBKZDDDGCA-UHFFFAOYSA-N 0 3 284.407 2.494 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000877528926 650769460 /nfs/dbraw/zinc/76/94/60/650769460.db2.gz NYAOFSBGDCQIFV-CQSZACIVSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c([O-])c1 ZINC000877528926 650769462 /nfs/dbraw/zinc/76/94/62/650769462.db2.gz NYAOFSBGDCQIFV-CQSZACIVSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000877529632 650769518 /nfs/dbraw/zinc/76/95/18/650769518.db2.gz JODDAWHFWSXPSH-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000877529632 650769521 /nfs/dbraw/zinc/76/95/21/650769521.db2.gz JODDAWHFWSXPSH-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C/C=C\CO)c2c1c(F)ccc2[O-] ZINC000850507748 642734720 /nfs/dbraw/zinc/73/47/20/642734720.db2.gz HPGJXTGHONBQET-WUIHGDLDSA-N 0 3 251.301 2.218 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1cc(F)ccc1[O-] ZINC000850547816 642749662 /nfs/dbraw/zinc/74/96/62/642749662.db2.gz XDCPYHSDRBMQJT-FZZIBODNSA-N 0 3 265.328 2.485 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000877593514 650805035 /nfs/dbraw/zinc/80/50/35/650805035.db2.gz BUSOXQSESUZVJW-LLVKDONJSA-N 0 3 270.323 2.130 20 10 CECDHN C[C@H]([NH2+]Cc1cnn(CCF)c1)c1ccccc1[O-] ZINC000922330693 643034181 /nfs/dbraw/zinc/03/41/81/643034181.db2.gz YRNBFCICXAEOBT-NSHDSACASA-N 0 3 263.316 2.409 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c([O-])c1 ZINC000877636279 650827908 /nfs/dbraw/zinc/82/79/08/650827908.db2.gz RNZFSKORYDGXHV-MRXNPFEDSA-N 0 3 290.407 2.044 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000877637700 650828545 /nfs/dbraw/zinc/82/85/45/650828545.db2.gz ZNIWWITUCKMBGR-CQSZACIVSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000877637700 650828549 /nfs/dbraw/zinc/82/85/49/650828549.db2.gz ZNIWWITUCKMBGR-CQSZACIVSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C(F)F)c1[O-] ZINC000877677250 650845456 /nfs/dbraw/zinc/84/54/56/650845456.db2.gz QMCUDQVAFOGBPL-SNVBAGLBSA-N 0 3 279.714 2.460 20 10 CECDHN CCn1nccc1CN[C@@H](C)c1cccc(OC)c1O ZINC000853239591 643718797 /nfs/dbraw/zinc/71/87/97/643718797.db2.gz IKIOUEHZTADJPL-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN Cc1cc([O-])c(CNCC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000853245976 643720850 /nfs/dbraw/zinc/72/08/50/643720850.db2.gz FMBWMGQQTYHTHW-UHFFFAOYSA-N 0 3 266.772 2.196 20 10 CECDHN COC(=O)C[C@](C)([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000877707590 650863592 /nfs/dbraw/zinc/86/35/92/650863592.db2.gz XKHIVCWYVRXSAT-HNNXBMFYSA-N 0 3 281.327 2.353 20 10 CECDHN CC(=O)NCCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756371783 644637191 /nfs/dbraw/zinc/63/71/91/644637191.db2.gz MHDORTMMNUIRTA-CABZTGNLSA-N 0 3 280.343 2.195 20 10 CECDHN COCCOCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756462680 644651676 /nfs/dbraw/zinc/65/16/76/644651676.db2.gz YPCKEVUJOZSPIO-JQWIXIFHSA-N 0 3 283.343 2.332 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c([O-])c1 ZINC000756489033 644654372 /nfs/dbraw/zinc/65/43/72/644654372.db2.gz OJJUOUMMLJBICW-NEPJUHHUSA-N 0 3 260.341 2.031 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@H]2C)c([O-])c1 ZINC000756533051 644659483 /nfs/dbraw/zinc/65/94/83/644659483.db2.gz HOOHVXKISUMQMM-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000756565202 644668914 /nfs/dbraw/zinc/66/89/14/644668914.db2.gz WUVQCBNLKACSKZ-NWDGAFQWSA-N 0 3 283.343 2.235 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756577225 644670571 /nfs/dbraw/zinc/67/05/71/644670571.db2.gz QWVCETGBTNQRQR-CCUNJIBTSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000756582981 644671496 /nfs/dbraw/zinc/67/14/96/644671496.db2.gz MMTCXSJRCZIZRC-AAEUAGOBSA-N 0 3 283.343 2.378 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2[O-] ZINC000756830451 644696151 /nfs/dbraw/zinc/69/61/51/644696151.db2.gz QIGFVYMNBYJWOM-CMPLNLGQSA-N 0 3 290.342 2.351 20 10 CECDHN C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757659325 644833069 /nfs/dbraw/zinc/83/30/69/644833069.db2.gz YGBHBSZZFXGGMU-PROPWMHFSA-N 0 3 285.384 2.436 20 10 CECDHN Cc1cc(C)c([C@H](C)N[C@H](CO)c2ccnn2C)c(O)c1 ZINC000858435367 645158445 /nfs/dbraw/zinc/15/84/45/645158445.db2.gz GRIYFCXEQNROFE-QWHCGFSZSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(C)c([C@@H](C)N[C@H](CO)c2ccnn2C)c(O)c1 ZINC000858435365 645158894 /nfs/dbraw/zinc/15/88/94/645158894.db2.gz GRIYFCXEQNROFE-CHWSQXEVSA-N 0 3 289.379 2.127 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1[O-] ZINC000858602648 645218390 /nfs/dbraw/zinc/21/83/90/645218390.db2.gz FSCBPVWCGMJUID-IINYFYTJSA-N 0 3 292.354 2.335 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCN(C)C2=O)cc1 ZINC000766437534 645886156 /nfs/dbraw/zinc/88/61/56/645886156.db2.gz PAZXPFKBNLCGHK-CZUORRHYSA-N 0 3 289.423 2.414 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC(OC)CC1 ZINC000768215456 646098285 /nfs/dbraw/zinc/09/82/85/646098285.db2.gz GZBSUYUSDOXHBK-UHFFFAOYSA-N 0 3 251.326 2.012 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465619 646127556 /nfs/dbraw/zinc/12/75/56/646127556.db2.gz JCRAVYHGFYBPGT-RISCZKNCSA-N 0 3 295.404 2.145 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768465619 646127559 /nfs/dbraw/zinc/12/75/59/646127559.db2.gz JCRAVYHGFYBPGT-RISCZKNCSA-N 0 3 295.404 2.145 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c([O-])c1 ZINC000769483440 646275794 /nfs/dbraw/zinc/27/57/94/646275794.db2.gz NFVJDWWEMYHYDL-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)c([O-])c1 ZINC000769483440 646275796 /nfs/dbraw/zinc/27/57/96/646275796.db2.gz NFVJDWWEMYHYDL-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN CN(C)c1cc(F)c(CN(C)C[C@H]2CCOC2)cc1F ZINC000862250687 646380632 /nfs/dbraw/zinc/38/06/32/646380632.db2.gz OIDUAFSZCPDUSX-LLVKDONJSA-N 0 3 284.350 2.499 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529062 646485011 /nfs/dbraw/zinc/48/50/11/646485011.db2.gz OTNKFMYXBZGZPG-SWLSCSKDSA-N 0 3 265.328 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529062 646485022 /nfs/dbraw/zinc/48/50/22/646485022.db2.gz OTNKFMYXBZGZPG-SWLSCSKDSA-N 0 3 265.328 2.126 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCN(c3cnccn3)CC2)c1 ZINC000119619617 646805804 /nfs/dbraw/zinc/80/58/04/646805804.db2.gz KJILQGJASKYBCH-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CC[C@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000775409313 646951706 /nfs/dbraw/zinc/95/17/06/646951706.db2.gz DTXJWVIOCZPCNS-SWLSCSKDSA-N 0 3 277.412 2.270 20 10 CECDHN C[C@@H]1[C@H](C)[N@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983270 647013903 /nfs/dbraw/zinc/01/39/03/647013903.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983270 647013907 /nfs/dbraw/zinc/01/39/07/647013907.db2.gz BZEZUVMFZCQNKK-MNOVXSKESA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H](Cc1cnccn1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779059401 647283626 /nfs/dbraw/zinc/28/36/26/647283626.db2.gz FIBAABUUQZFHSA-JTQLQIEISA-N 0 3 261.300 2.042 20 10 CECDHN CNC(=O)C1(NCc2ccc(N(C)C)c(F)c2)CCCC1 ZINC000779176072 647294769 /nfs/dbraw/zinc/29/47/69/647294769.db2.gz JEQMOISIYDGWHG-UHFFFAOYSA-N 0 3 293.386 2.040 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865712130 647435023 /nfs/dbraw/zinc/43/50/23/647435023.db2.gz XEBUDRZUSRFIDP-PRHODGIISA-N 0 3 293.285 2.192 20 10 CECDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000787421824 648107688 /nfs/dbraw/zinc/10/76/88/648107688.db2.gz XFPYCGRKSXQSCV-DGCLKSJQSA-N 0 3 294.370 2.275 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619143 648782708 /nfs/dbraw/zinc/78/27/08/648782708.db2.gz FVFZYCZWMOKDMH-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000793619143 648782710 /nfs/dbraw/zinc/78/27/10/648782710.db2.gz FVFZYCZWMOKDMH-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000794657572 648899593 /nfs/dbraw/zinc/89/95/93/648899593.db2.gz BGXPSEDQKSTCAO-YOEHRIQHSA-N 0 3 291.391 2.389 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873230791 649602584 /nfs/dbraw/zinc/60/25/84/649602584.db2.gz YDPRVNWGZIYVND-KBPBESRZSA-N 0 3 266.772 2.420 20 10 CECDHN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000883040806 652341060 /nfs/dbraw/zinc/34/10/60/652341060.db2.gz OCXUXJGFALMPCD-LLVKDONJSA-N 0 3 279.290 2.041 20 10 CECDHN C[NH2+]C[C@@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000133023888 652586404 /nfs/dbraw/zinc/58/64/04/652586404.db2.gz MPGDRGUTAABVCN-LBPRGKRZSA-N 0 3 254.761 2.229 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@H](C)C2)c1[O-] ZINC000402008573 804641902 /nfs/dbraw/zinc/64/19/02/804641902.db2.gz RIYOXBRVZOEFBJ-KCJUWKMLSA-N 0 3 271.744 2.321 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cc(C)n[nH]2)c1 ZINC000716493208 815132839 /nfs/dbraw/zinc/13/28/39/815132839.db2.gz KHPLCCNYFNQGHC-SNVBAGLBSA-N 0 3 261.325 2.283 20 10 CECDHN COc1cc([O-])c(CN2CC[NH2+][C@H](C(C)C)C2)cc1Cl ZINC001235471800 807834312 /nfs/dbraw/zinc/83/43/12/807834312.db2.gz ODHMABYGZCVLBU-ZDUSSCGKSA-N 0 3 298.814 2.484 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235986709 807907324 /nfs/dbraw/zinc/90/73/24/807907324.db2.gz CXTXWMIRRGIPQA-BXUZGUMPSA-N 0 3 266.772 2.277 20 10 CECDHN CNC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272764561 808628810 /nfs/dbraw/zinc/62/88/10/808628810.db2.gz AZKPNGVTASOJFJ-CQSZACIVSA-N 0 3 288.391 2.049 20 10 CECDHN C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370982 809731262 /nfs/dbraw/zinc/73/12/62/809731262.db2.gz JFLJFPXRXNYNAY-IUODEOHRSA-N 0 3 275.396 2.024 20 10 CECDHN C[NH+](C)[C@H]1CCN(Cc2c([O-])cccc2Br)C1 ZINC000707154738 809881195 /nfs/dbraw/zinc/88/11/95/809881195.db2.gz LXUIQKSJQPCCGG-JTQLQIEISA-N 0 3 299.212 2.291 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1ccc(OC)cc1[O-])OC ZINC000378710659 810668365 /nfs/dbraw/zinc/66/83/65/810668365.db2.gz SUQLJLYMEWVYRW-ZDUSSCGKSA-N 0 3 253.342 2.306 20 10 CECDHN C[C@H]1[NH2+]CCN(Cc2cc(Cl)ccc2[O-])[C@@H]1C ZINC000379501893 811050557 /nfs/dbraw/zinc/05/05/57/811050557.db2.gz WWQPNGIJJIBBJI-NXEZZACHSA-N 0 3 254.761 2.228 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)O ZINC001169755498 811655337 /nfs/dbraw/zinc/65/53/37/811655337.db2.gz YEIPVVKVCCDSQV-HNNXBMFYSA-N 0 3 281.396 2.126 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)O ZINC001169755498 811655340 /nfs/dbraw/zinc/65/53/40/811655340.db2.gz YEIPVVKVCCDSQV-HNNXBMFYSA-N 0 3 281.396 2.126 20 10 CECDHN Cc1c(CN2C[C@@H]3[C@H](C2)OCCN3C)c2ccccc2n1C ZINC001138253737 815754607 /nfs/dbraw/zinc/75/46/07/815754607.db2.gz FBUWLYBHTLNMHK-MSOLQXFVSA-N 0 3 299.418 2.002 20 10 CECDHN COC(=O)c1ccc(O)c(Nc2ccncc2C)c1 ZINC001174539634 816026602 /nfs/dbraw/zinc/02/66/02/816026602.db2.gz NZHJIFLMMOWHJY-UHFFFAOYSA-N 0 3 258.277 2.048 20 10 CECDHN CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140053707 816177201 /nfs/dbraw/zinc/17/72/01/816177201.db2.gz AJJSMRLVKNQRLL-MRXNPFEDSA-N 0 3 292.354 2.118 20 10 CECDHN CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140053707 816177207 /nfs/dbraw/zinc/17/72/07/816177207.db2.gz AJJSMRLVKNQRLL-MRXNPFEDSA-N 0 3 292.354 2.118 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001140058221 816181356 /nfs/dbraw/zinc/18/13/56/816181356.db2.gz VMDQDGJNXBDECA-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001140058221 816181362 /nfs/dbraw/zinc/18/13/62/816181362.db2.gz VMDQDGJNXBDECA-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN CC(=O)N1CCC[C@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001140954517 816423557 /nfs/dbraw/zinc/42/35/57/816423557.db2.gz VKQKVVNGFUMNFY-HNNXBMFYSA-N 0 3 276.380 2.143 20 10 CECDHN CC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001140954517 816423564 /nfs/dbraw/zinc/42/35/64/816423564.db2.gz VKQKVVNGFUMNFY-HNNXBMFYSA-N 0 3 276.380 2.143 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)O3)CC2)c([O-])c1 ZINC001140951018 816424045 /nfs/dbraw/zinc/42/40/45/816424045.db2.gz UGXFARKHDORXCR-UHFFFAOYSA-N 0 3 275.348 2.372 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029491 816450370 /nfs/dbraw/zinc/45/03/70/816450370.db2.gz UKTDDKJWRXMIDG-ABAIWWIYSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029491 816450372 /nfs/dbraw/zinc/45/03/72/816450372.db2.gz UKTDDKJWRXMIDG-ABAIWWIYSA-N 0 3 293.363 2.020 20 10 CECDHN CC(C)N1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141138947 816483356 /nfs/dbraw/zinc/48/33/56/816483356.db2.gz FNWAZMAURQFQRC-UHFFFAOYSA-N 0 3 289.423 2.041 20 10 CECDHN CC(=O)[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144304 816484957 /nfs/dbraw/zinc/48/49/57/816484957.db2.gz ZAMQLCZBLVWJNQ-OAHLLOKOSA-N 0 3 288.391 2.316 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](CCO)C(C)(C)C)c1 ZINC000231073221 344574516 /nfs/dbraw/zinc/57/45/16/344574516.db2.gz NEGOJULONZPKGB-CQSZACIVSA-N 0 3 267.369 2.288 20 10 CECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1C ZINC000280901008 344674773 /nfs/dbraw/zinc/67/47/73/344674773.db2.gz OLBXEXJWSOVKNL-MBNYWOFBSA-N 0 3 277.364 2.460 20 10 CECDHN COC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093337900 260275588 /nfs/dbraw/zinc/27/55/88/260275588.db2.gz DDZNIQCMJVIWRL-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@H]1CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093337900 260275590 /nfs/dbraw/zinc/27/55/90/260275590.db2.gz DDZNIQCMJVIWRL-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN(C)CCC2CC2)cc1 ZINC000135303254 366424282 /nfs/dbraw/zinc/42/42/82/366424282.db2.gz AZRBZNRWFUBLCO-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN CN(C)c1ccc(CNC(=O)C[C@H](N)c2ccccc2)cc1 ZINC000237082909 370688668 /nfs/dbraw/zinc/68/86/68/370688668.db2.gz MLVBSJCFGWPAEK-KRWDZBQOSA-N 0 3 297.402 2.459 20 10 CECDHN CN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000089647962 363987621 /nfs/dbraw/zinc/98/76/21/363987621.db2.gz PWYAWZBYYVNFBI-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN CCOC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000113922796 364917865 /nfs/dbraw/zinc/91/78/65/364917865.db2.gz ZMPXYXFXLPNLPJ-LBPRGKRZSA-N 0 3 293.363 2.369 20 10 CECDHN CCOC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000113922796 364917873 /nfs/dbraw/zinc/91/78/73/364917873.db2.gz ZMPXYXFXLPNLPJ-LBPRGKRZSA-N 0 3 293.363 2.369 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCOC(C)(C)C2)c1[O-] ZINC000160630888 367022269 /nfs/dbraw/zinc/02/22/69/367022269.db2.gz GUWGTDRJIICNKK-LBPRGKRZSA-N 0 3 265.353 2.448 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000245868984 370881805 /nfs/dbraw/zinc/88/18/05/370881805.db2.gz RBSQWFADHBJVNR-NVXWUHKLSA-N 0 3 269.344 2.482 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1Cc2ccccc2[C@H]1O ZINC000245868984 370881808 /nfs/dbraw/zinc/88/18/08/370881808.db2.gz RBSQWFADHBJVNR-NVXWUHKLSA-N 0 3 269.344 2.482 20 10 CECDHN COc1cccc(C[NH2+]CCC(=O)OC(C)(C)C)c1[O-] ZINC000174434548 368023532 /nfs/dbraw/zinc/02/35/32/368023532.db2.gz MWBTXTNBTCUTJE-UHFFFAOYSA-N 0 3 281.352 2.222 20 10 CECDHN COc1cccc(CN2CCSC[C@@H]2C)c1O ZINC000179664500 368345982 /nfs/dbraw/zinc/34/59/82/368345982.db2.gz PXHNGYDIGCVDOW-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000179733801 368348962 /nfs/dbraw/zinc/34/89/62/368348962.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000179733801 368348966 /nfs/dbraw/zinc/34/89/66/368348966.db2.gz MGMQVVOQXHZAIE-AWEZNQCLSA-N 0 3 262.397 2.474 20 10 CECDHN CCOCc1cc(CNC[C@H](C)OC)ccc1OC ZINC000191138154 369683287 /nfs/dbraw/zinc/68/32/87/369683287.db2.gz WZTKACKIPXAYFH-LBPRGKRZSA-N 0 3 267.369 2.356 20 10 CECDHN COCCCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224573111 370281365 /nfs/dbraw/zinc/28/13/65/370281365.db2.gz GRSBHDLXIYBIII-UHFFFAOYSA-N 0 3 253.342 2.307 20 10 CECDHN CN(C)c1ccc(CN(CCn2cncn2)C2CC2)cc1 ZINC000263876176 371953323 /nfs/dbraw/zinc/95/33/23/371953323.db2.gz JKVPCDYHRUVPIB-UHFFFAOYSA-N 0 3 285.395 2.009 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c([O-])c1 ZINC000271279563 373187892 /nfs/dbraw/zinc/18/78/92/373187892.db2.gz LTBPWZQOCBBGRX-MLGOLLRUSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c([O-])c1 ZINC000271279563 373187897 /nfs/dbraw/zinc/18/78/97/373187897.db2.gz LTBPWZQOCBBGRX-MLGOLLRUSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C ZINC000368963201 373301300 /nfs/dbraw/zinc/30/13/00/373301300.db2.gz IOSZHQATWLYBJD-JGGQBBKZSA-N 0 3 288.391 2.095 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1C ZINC000368963201 373301304 /nfs/dbraw/zinc/30/13/04/373301304.db2.gz IOSZHQATWLYBJD-JGGQBBKZSA-N 0 3 288.391 2.095 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC[C@@H](COC)OC)cc1 ZINC000272642449 373597335 /nfs/dbraw/zinc/59/73/35/373597335.db2.gz CXSHJFBFPAHGRT-BBRMVZONSA-N 0 3 280.412 2.455 20 10 CECDHN C[C@@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@@H]1C1CC1 ZINC000273133951 373745720 /nfs/dbraw/zinc/74/57/20/373745720.db2.gz NCZGNVASYIBBNV-HZPDHXFCSA-N 0 3 291.347 2.168 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC[C@](C)(O)C(F)(F)F)c1 ZINC000273450700 373757702 /nfs/dbraw/zinc/75/77/02/373757702.db2.gz FYTNCGNWXBFCRK-PELKAZGASA-N 0 3 293.285 2.365 20 10 CECDHN CNC(=O)CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273465207 373759813 /nfs/dbraw/zinc/75/98/13/373759813.db2.gz DPEZBKKJZYDLGX-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c([O-])c1C ZINC000273470136 373759880 /nfs/dbraw/zinc/75/98/80/373759880.db2.gz RVMIBZZQFYSYDF-MYFIVHGGSA-N 0 3 269.410 2.427 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516871 373762495 /nfs/dbraw/zinc/76/24/95/373762495.db2.gz SSHFQHLKPVQLAD-VXGBXAGGSA-N 0 3 292.379 2.061 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516871 373762502 /nfs/dbraw/zinc/76/25/02/373762502.db2.gz SSHFQHLKPVQLAD-VXGBXAGGSA-N 0 3 292.379 2.061 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000371412437 373872151 /nfs/dbraw/zinc/87/21/51/373872151.db2.gz GTHMWTQISWVFBJ-QEJZJMRPSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1 ZINC000371412437 373872157 /nfs/dbraw/zinc/87/21/57/373872157.db2.gz GTHMWTQISWVFBJ-QEJZJMRPSA-N 0 3 288.391 2.319 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912495 /nfs/dbraw/zinc/91/24/95/373912495.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371529025 373912498 /nfs/dbraw/zinc/91/24/98/373912498.db2.gz PPKACNFRBXHLQR-KBMXLJTQSA-N 0 3 290.382 2.447 20 10 CECDHN COCCOCCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374776098 374629862 /nfs/dbraw/zinc/62/98/62/374629862.db2.gz DOCZMHPTQASYHY-UHFFFAOYSA-N 0 3 290.407 2.115 20 10 CECDHN Cc1cc(O)c(CN2CCC[C@]3(CNC(=O)O3)C2)cc1C ZINC000375555980 374662243 /nfs/dbraw/zinc/66/22/43/374662243.db2.gz DBCRLFIUHIRNNF-INIZCTEOSA-N 0 3 290.363 2.083 20 10 CECDHN CC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1[O-] ZINC000282504003 375501343 /nfs/dbraw/zinc/50/13/43/375501343.db2.gz YIXAUYMSDLWTMN-KZULUSFZSA-N 0 3 267.394 2.344 20 10 CECDHN Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])n(C)n1 ZINC000284520727 375830026 /nfs/dbraw/zinc/83/00/26/375830026.db2.gz WQGNCOBNBNDKRZ-JTQLQIEISA-N 0 3 263.316 2.424 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1 ZINC000285435745 375839084 /nfs/dbraw/zinc/83/90/84/375839084.db2.gz HRDYYJINPZROES-UHFFFAOYSA-N 0 3 297.420 2.148 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287166527 376163811 /nfs/dbraw/zinc/16/38/11/376163811.db2.gz UHBWVHZTIOZGKJ-OLZOCXBDSA-N 0 3 297.420 2.176 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000287367627 376216418 /nfs/dbraw/zinc/21/64/18/376216418.db2.gz ONBXVWKGXCJKGE-LBPRGKRZSA-N 0 3 267.369 2.139 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000289673329 376439689 /nfs/dbraw/zinc/43/96/89/376439689.db2.gz RPWIVTFXSYSHSP-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@@H](CNCc1c([O-])cccc1Cl)C[NH+](C)C ZINC000291683442 377205373 /nfs/dbraw/zinc/20/53/73/377205373.db2.gz IAXIETKFOAIWNJ-JTQLQIEISA-N 0 3 256.777 2.333 20 10 CECDHN C[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)CN(C)C ZINC000291683442 377205381 /nfs/dbraw/zinc/20/53/81/377205381.db2.gz IAXIETKFOAIWNJ-JTQLQIEISA-N 0 3 256.777 2.333 20 10 CECDHN CCCNC(=O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293651458 377678689 /nfs/dbraw/zinc/67/86/89/377678689.db2.gz IPGAXEJXCBXHTA-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN CCCNC(=O)CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000293651458 377678695 /nfs/dbraw/zinc/67/86/95/377678695.db2.gz IPGAXEJXCBXHTA-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295119838 378043755 /nfs/dbraw/zinc/04/37/55/378043755.db2.gz NAWKDJDTTPYIEM-HNNXBMFYSA-N 0 3 275.323 2.225 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1[O-] ZINC000295995772 378385619 /nfs/dbraw/zinc/38/56/19/378385619.db2.gz KNWPXLHBDMUFOW-JFGNBEQYSA-N 0 3 251.326 2.056 20 10 CECDHN O=C1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C2(CCC2)N1 ZINC000296299603 378482730 /nfs/dbraw/zinc/48/27/30/378482730.db2.gz DOJKPZLYZKAWPW-TZMCWYRMSA-N 0 3 286.375 2.170 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000305190203 379679210 /nfs/dbraw/zinc/67/92/10/379679210.db2.gz UYYWZCVGZZUSCW-QGZVFWFLSA-N 0 3 269.344 2.316 20 10 CECDHN CC1(N2CCOCC2)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000529663347 380182251 /nfs/dbraw/zinc/18/22/51/380182251.db2.gz JZPFQQZPOBXSNT-UHFFFAOYSA-N 0 3 290.407 2.079 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c1 ZINC000273363269 292013954 /nfs/dbraw/zinc/01/39/54/292013954.db2.gz AUFQVJNPHHBURH-NWDGAFQWSA-N 0 3 294.395 2.170 20 10 CECDHN COc1ccc(CNC[C@](C)(O)CSC)cc1C ZINC000217862038 394456201 /nfs/dbraw/zinc/45/62/01/394456201.db2.gz WUHNSYBMVJEDRG-AWEZNQCLSA-N 0 3 269.410 2.207 20 10 CECDHN CCCN1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000361051920 394813902 /nfs/dbraw/zinc/81/39/02/394813902.db2.gz LNQKZCNGYCFLDF-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN CCCN1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000361051920 394813907 /nfs/dbraw/zinc/81/39/07/394813907.db2.gz LNQKZCNGYCFLDF-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN COc1ccc(O)c(CN(C)C[C@H]2CCCCO2)c1 ZINC000132603019 394933834 /nfs/dbraw/zinc/93/38/34/394933834.db2.gz BYCSAXVJTOSZJV-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@@H](n3cccn3)C2)c1 ZINC000373216272 395056800 /nfs/dbraw/zinc/05/68/00/395056800.db2.gz MVALKBTUZHMZEU-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000373216272 395056804 /nfs/dbraw/zinc/05/68/04/395056804.db2.gz MVALKBTUZHMZEU-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000373216272 395056805 /nfs/dbraw/zinc/05/68/05/395056805.db2.gz MVALKBTUZHMZEU-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@H]3CCC[C@@H]31)OCO2 ZINC000374256687 395077631 /nfs/dbraw/zinc/07/76/31/395077631.db2.gz WYUQPFROSRWUON-JSGCOSHPSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@H]3CCC[C@@H]31)OCO2 ZINC000374256687 395077634 /nfs/dbraw/zinc/07/76/34/395077634.db2.gz WYUQPFROSRWUON-JSGCOSHPSA-N 0 3 291.347 2.264 20 10 CECDHN Oc1cc2c(cc1CN1CCCO[C@H]3CCC[C@@H]31)OCO2 ZINC000374256687 395077636 /nfs/dbraw/zinc/07/76/36/395077636.db2.gz WYUQPFROSRWUON-JSGCOSHPSA-N 0 3 291.347 2.264 20 10 CECDHN COC(C)(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000174553278 395125053 /nfs/dbraw/zinc/12/50/53/395125053.db2.gz NGGANHQTTBEXQZ-SNVBAGLBSA-N 0 3 281.352 2.414 20 10 CECDHN Cc1cc([O-])c(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1C ZINC000174640128 395126550 /nfs/dbraw/zinc/12/65/50/395126550.db2.gz KFRGHIYFWAFLLY-UHFFFAOYSA-N 0 3 299.436 2.312 20 10 CECDHN COCCOC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000173398821 395112900 /nfs/dbraw/zinc/11/29/00/395112900.db2.gz PKDXOELKEWHBKD-HNNXBMFYSA-N 0 3 293.407 2.494 20 10 CECDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000173398821 395112903 /nfs/dbraw/zinc/11/29/03/395112903.db2.gz PKDXOELKEWHBKD-HNNXBMFYSA-N 0 3 293.407 2.494 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(n2ccnc2)CC1 ZINC000179564881 395195398 /nfs/dbraw/zinc/19/53/98/395195398.db2.gz IVTICMGUHAKXJI-UHFFFAOYSA-N 0 3 257.337 2.426 20 10 CECDHN Oc1ccccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000179556652 395195473 /nfs/dbraw/zinc/19/54/73/395195473.db2.gz FUZGAKUYKLEFFZ-UHFFFAOYSA-N 0 3 288.313 2.462 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292752730 395204155 /nfs/dbraw/zinc/20/41/55/395204155.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1 ZINC000292752730 395204162 /nfs/dbraw/zinc/20/41/62/395204162.db2.gz IPVDHQDPPHVIQZ-INIZCTEOSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183375058 395255598 /nfs/dbraw/zinc/25/55/98/395255598.db2.gz CUURHOZSWXKDSA-JTQLQIEISA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183375058 395255602 /nfs/dbraw/zinc/25/56/02/395255602.db2.gz CUURHOZSWXKDSA-JTQLQIEISA-N 0 3 282.771 2.051 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(SC)CC2)c1 ZINC000193365316 395406526 /nfs/dbraw/zinc/40/65/26/395406526.db2.gz GDHVRUCLGVKBPJ-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN CSC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000193662716 395412849 /nfs/dbraw/zinc/41/28/49/395412849.db2.gz NJVXZFWHZOCHIS-UHFFFAOYSA-N 0 3 267.350 2.106 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CCCC2)c1 ZINC000020126894 171012481 /nfs/dbraw/zinc/01/24/81/171012481.db2.gz GZGYILQXFZUZAC-LBPRGKRZSA-N 0 3 264.369 2.147 20 10 CECDHN CCNC(=O)[C@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000035134264 172000775 /nfs/dbraw/zinc/00/07/75/172000775.db2.gz ZMBBXKXCEPERIW-ZDUSSCGKSA-N 0 3 277.412 2.147 20 10 CECDHN COc1ncccc1CNCc1cc(C)ccc1O ZINC000071407996 176156935 /nfs/dbraw/zinc/15/69/35/176156935.db2.gz XIMFDBCCZTVXGK-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1ccc(O)c(CN[C@@H](C)c2cnn(C)c2C)c1 ZINC000037167364 260072317 /nfs/dbraw/zinc/07/23/17/260072317.db2.gz JJVSCNYOURTIAN-JTQLQIEISA-N 0 3 275.352 2.294 20 10 CECDHN COc1ccc(O)c(CN[C@H](C)c2cnn(C)c2C)c1 ZINC000037167363 260072342 /nfs/dbraw/zinc/07/23/42/260072342.db2.gz JJVSCNYOURTIAN-SNVBAGLBSA-N 0 3 275.352 2.294 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CS(=O)(=O)CC)c1ccccc1[O-] ZINC000156563093 261126357 /nfs/dbraw/zinc/12/63/57/261126357.db2.gz WKDVJAZHISCEDK-WCQYABFASA-N 0 3 285.409 2.256 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCOC(C)C)c1 ZINC000163985374 261336477 /nfs/dbraw/zinc/33/64/77/261336477.db2.gz CIJMHMZXYPJSOS-LLVKDONJSA-N 0 3 253.342 2.476 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCOC(C)C)c1 ZINC000163985309 261336615 /nfs/dbraw/zinc/33/66/15/261336615.db2.gz CIJMHMZXYPJSOS-NSHDSACASA-N 0 3 253.342 2.476 20 10 CECDHN CCOC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1 ZINC000179748924 261813008 /nfs/dbraw/zinc/81/30/08/261813008.db2.gz HLOHGQNQJJSJGN-UHFFFAOYSA-N 0 3 292.379 2.365 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000184695373 262025986 /nfs/dbraw/zinc/02/59/86/262025986.db2.gz YMBGXPPMFAXEGL-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000184695373 262025989 /nfs/dbraw/zinc/02/59/89/262025989.db2.gz YMBGXPPMFAXEGL-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000185008537 262038165 /nfs/dbraw/zinc/03/81/65/262038165.db2.gz KSNDBDNKLWJKAS-GFCCVEGCSA-N 0 3 284.375 2.150 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c1 ZINC000185333666 262050913 /nfs/dbraw/zinc/05/09/13/262050913.db2.gz OGMVDMJFXCOGNG-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c1 ZINC000185449709 262055072 /nfs/dbraw/zinc/05/50/72/262055072.db2.gz XNMHQZBCHUITAM-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CN1CCOCC1 ZINC000185505617 262058137 /nfs/dbraw/zinc/05/81/37/262058137.db2.gz KGOWRUVTZNMLLX-STQMWFEESA-N 0 3 296.386 2.150 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186520306 262096551 /nfs/dbraw/zinc/09/65/51/262096551.db2.gz YTLTYINZTHCIDD-GKUNOOHESA-N 0 3 265.353 2.379 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])C1CC1 ZINC000186153582 262312357 /nfs/dbraw/zinc/31/23/57/262312357.db2.gz GGCFXJWWWFQYMX-HZMBPMFUSA-N 0 3 265.353 2.476 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cc1OC ZINC000282364297 263076156 /nfs/dbraw/zinc/07/61/56/263076156.db2.gz PVYMTIWKKMZDDS-DGCLKSJQSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)cc1OC ZINC000282364297 263076157 /nfs/dbraw/zinc/07/61/57/263076157.db2.gz PVYMTIWKKMZDDS-DGCLKSJQSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000285655836 263094712 /nfs/dbraw/zinc/09/47/12/263094712.db2.gz YRKHMGYFWPYWDV-VXGBXAGGSA-N 0 3 265.353 2.163 20 10 CECDHN CN(C[C@@H](O)COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000290851478 263118907 /nfs/dbraw/zinc/11/89/07/263118907.db2.gz XLFGJYHMCCELID-MRXNPFEDSA-N 0 3 290.407 2.121 20 10 CECDHN COc1ccc(O)c(CN2CCOCC[C@H]2C)c1 ZINC000368131989 267146377 /nfs/dbraw/zinc/14/63/77/267146377.db2.gz OYHMFXZVEIKICM-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@H]3COC[C@H]32)c1 ZINC000369215093 267226655 /nfs/dbraw/zinc/22/66/55/267226655.db2.gz NSYCVICMZMSNSB-SMDDNHRTSA-N 0 3 263.337 2.012 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369393369 267239497 /nfs/dbraw/zinc/23/94/97/267239497.db2.gz WZOZKHBEYGLIJM-OAHLLOKOSA-N 0 3 270.332 2.441 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000369393369 267239499 /nfs/dbraw/zinc/23/94/99/267239499.db2.gz WZOZKHBEYGLIJM-OAHLLOKOSA-N 0 3 270.332 2.441 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000374268274 267770582 /nfs/dbraw/zinc/77/05/82/267770582.db2.gz FRTYETOKRYBSBP-DOTOQJQBSA-N 0 3 291.391 2.437 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794714 278159571 /nfs/dbraw/zinc/15/95/71/278159571.db2.gz QBMMJPIAADOBRT-SUZMYJTESA-N 0 3 267.394 2.082 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000271842462 328197956 /nfs/dbraw/zinc/19/79/56/328197956.db2.gz RDZBTHDBFOTLBM-RYUDHWBXSA-N 0 3 265.353 2.306 20 10 CECDHN COc1cccc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1[O-] ZINC000273090079 328203936 /nfs/dbraw/zinc/20/39/36/328203936.db2.gz KUWKAAOCLHJROT-CVEARBPZSA-N 0 3 277.364 2.448 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000226618175 329262471 /nfs/dbraw/zinc/26/24/71/329262471.db2.gz VCKXSESNABGUED-JSGCOSHPSA-N 0 3 251.301 2.188 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000294002306 327194492 /nfs/dbraw/zinc/19/44/92/327194492.db2.gz MHLSOKBPUJHNHG-IAQYHMDHSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000375074631 329000004 /nfs/dbraw/zinc/00/00/04/329000004.db2.gz NCBFUOBUMGUVPL-ZDUSSCGKSA-N 0 3 298.390 2.283 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1[O-] ZINC000375074631 329000005 /nfs/dbraw/zinc/00/00/05/329000005.db2.gz NCBFUOBUMGUVPL-ZDUSSCGKSA-N 0 3 298.390 2.283 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000180316410 329219559 /nfs/dbraw/zinc/21/95/59/329219559.db2.gz NDCJJSOAEMAPBU-MLGOLLRUSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1 ZINC000180316410 329219561 /nfs/dbraw/zinc/21/95/61/329219561.db2.gz NDCJJSOAEMAPBU-MLGOLLRUSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1[O-] ZINC000359990933 329644830 /nfs/dbraw/zinc/64/48/30/329644830.db2.gz CSRKREDUKSDROC-FMSGJZPZSA-N 0 3 274.364 2.052 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000527804827 330284374 /nfs/dbraw/zinc/28/43/74/330284374.db2.gz BTZOFNWYZWYTOH-OAHLLOKOSA-N 0 3 260.381 2.499 20 10 CECDHN CCn1nncc1CN[C@@H](C)c1ccc(C)cc1O ZINC000527920312 330295688 /nfs/dbraw/zinc/29/56/88/330295688.db2.gz NVYZSBNIMSNNCN-NSHDSACASA-N 0 3 260.341 2.163 20 10 CECDHN C=Cn1cc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000194343800 330841717 /nfs/dbraw/zinc/84/17/17/330841717.db2.gz RJZUWAUXCGZCDG-UHFFFAOYSA-N 0 3 256.353 2.339 20 10 CECDHN COC[C@@H](CN[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712548 333287461 /nfs/dbraw/zinc/28/74/61/333287461.db2.gz DHZMEYPZPCAQKT-SWLSCSKDSA-N 0 3 266.385 2.065 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000230315846 333316502 /nfs/dbraw/zinc/31/65/02/333316502.db2.gz MCWWLFMFOZJNAV-WFASDCNBSA-N 0 3 263.337 2.058 20 10 CECDHN [O-]c1cccc2c1[C@@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217564 333528587 /nfs/dbraw/zinc/52/85/87/333528587.db2.gz UAVNJYAOGDBZSK-GXTWGEPZSA-N 0 3 258.365 2.254 20 10 CECDHN CCCOc1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC000127934877 520346890 /nfs/dbraw/zinc/34/68/90/520346890.db2.gz STKVCNREMRBSHA-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000293001626 521151753 /nfs/dbraw/zinc/15/17/53/521151753.db2.gz NBNXEQPXOYDBPE-WBMJQRKESA-N 0 3 279.380 2.432 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000280282049 521745641 /nfs/dbraw/zinc/74/56/41/521745641.db2.gz YOIBUOJHZHJGIK-AAEUAGOBSA-N 0 3 264.369 2.266 20 10 CECDHN CC[C@H](N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236914162 522326252 /nfs/dbraw/zinc/32/62/52/522326252.db2.gz MWRRWUKJODOJHK-ZDUSSCGKSA-N 0 3 281.375 2.025 20 10 CECDHN COC[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCCO1 ZINC000278928504 522361625 /nfs/dbraw/zinc/36/16/25/522361625.db2.gz USMWMBXFYMTMCR-ZBFHGGJFSA-N 0 3 296.386 2.175 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(O)CCO[C@H]1C)c1ccc(C)cc1[O-] ZINC000280277968 522639574 /nfs/dbraw/zinc/63/95/74/522639574.db2.gz YGPSQPAXCNQPHK-DUVNUKRYSA-N 0 3 279.380 2.281 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036976949 522750426 /nfs/dbraw/zinc/75/04/26/522750426.db2.gz RSUDVEGYJVJYAW-STQMWFEESA-N 0 3 262.353 2.102 20 10 CECDHN COC[C@H](NCc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000278616631 522751880 /nfs/dbraw/zinc/75/18/80/522751880.db2.gz JHFJRBJULNNSFE-HOCLYGCPSA-N 0 3 279.380 2.287 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)N(C)CC)c1ccc(C)cc1[O-] ZINC000280056280 522811387 /nfs/dbraw/zinc/81/13/87/522811387.db2.gz JZNPSADZLLJUJM-CYBMUJFWSA-N 0 3 264.369 2.220 20 10 CECDHN COC(=O)C1CCC([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000264408799 522904718 /nfs/dbraw/zinc/90/47/18/522904718.db2.gz OBQOHJKMXQDKEZ-UHFFFAOYSA-N 0 3 293.363 2.222 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccccc1[O-] ZINC000274931803 522926241 /nfs/dbraw/zinc/92/62/41/522926241.db2.gz RAHCNESVELSBJS-UKRRQHHQSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000279949792 522946267 /nfs/dbraw/zinc/94/62/67/522946267.db2.gz BQHMZDCXHXRNLQ-GXTWGEPZSA-N 0 3 276.380 2.362 20 10 CECDHN CO[C@@](C)(C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000291051799 523798235 /nfs/dbraw/zinc/79/82/35/523798235.db2.gz NDKSDEDEABERJK-AWEZNQCLSA-N 0 3 253.317 2.436 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](NCc2ccc(N(C)C)c(F)c2)C1 ZINC000279440108 523966095 /nfs/dbraw/zinc/96/60/95/523966095.db2.gz PDKAACPCZFSMGZ-QWHCGFSZSA-N 0 3 294.370 2.323 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000289777721 524023845 /nfs/dbraw/zinc/02/38/45/524023845.db2.gz RNLBQEWWDFBERV-TXBJDVRTSA-N 0 3 277.339 2.387 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(F)ccc1[O-] ZINC000289777721 524023848 /nfs/dbraw/zinc/02/38/48/524023848.db2.gz RNLBQEWWDFBERV-TXBJDVRTSA-N 0 3 277.339 2.387 20 10 CECDHN COc1ccc(CN[C@H](C)CN2CCCC2=O)cc1C ZINC000037782650 524087579 /nfs/dbraw/zinc/08/75/79/524087579.db2.gz PFPGUEZYMXSILR-CYBMUJFWSA-N 0 3 276.380 2.104 20 10 CECDHN CNC(=O)[C@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000291928571 524100085 /nfs/dbraw/zinc/10/00/85/524100085.db2.gz ONCXHISWHWKSFL-MNOVXSKESA-N 0 3 276.380 2.056 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367709959 524863762 /nfs/dbraw/zinc/86/37/62/524863762.db2.gz ULZAELRTOJUUCJ-JTQLQIEISA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000367709959 524863777 /nfs/dbraw/zinc/86/37/77/524863777.db2.gz ULZAELRTOJUUCJ-JTQLQIEISA-N 0 3 282.771 2.051 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280574180 525346154 /nfs/dbraw/zinc/34/61/54/525346154.db2.gz WCOFVRXRIBNDPG-VBQJREDUSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000071409400 525352663 /nfs/dbraw/zinc/35/26/63/525352663.db2.gz LGCZSHHMSIGJMM-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1ccc([C@H](O)CNCc2ccc3c(c2)CCO3)o1 ZINC000265959103 525976999 /nfs/dbraw/zinc/97/69/99/525976999.db2.gz ISLWYECGHIXLQF-CQSZACIVSA-N 0 3 273.332 2.346 20 10 CECDHN Cc1nnc(CCNCc2ccc3c(c2)CCO3)s1 ZINC000289901103 526329867 /nfs/dbraw/zinc/32/98/67/526329867.db2.gz RAFYBWHBMJMUSE-UHFFFAOYSA-N 0 3 275.377 2.114 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289685262 527621211 /nfs/dbraw/zinc/62/12/11/527621211.db2.gz OCCXOPSSMVIIRD-VXGBXAGGSA-N 0 3 289.297 2.385 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000289685262 527621216 /nfs/dbraw/zinc/62/12/16/527621216.db2.gz OCCXOPSSMVIIRD-VXGBXAGGSA-N 0 3 289.297 2.385 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@H](C)OC)c([O-])c1 ZINC000726607567 574428077 /nfs/dbraw/zinc/42/80/77/574428077.db2.gz QGGAXMAQTQGTSS-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN O=C(C[NH2+]Cc1ccccc1[O-])N1CCc2ccccc21 ZINC000729685112 574490939 /nfs/dbraw/zinc/49/09/39/574490939.db2.gz SXMVZJKFOQZGAA-UHFFFAOYSA-N 0 3 282.343 2.071 20 10 CECDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)S1 ZINC000743373871 575051419 /nfs/dbraw/zinc/05/14/19/575051419.db2.gz DIURSCVAGUGVHP-UWVGGRQHSA-N 0 3 281.377 2.447 20 10 CECDHN O=C(c1cc([O-])cs1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000743490409 575105203 /nfs/dbraw/zinc/10/52/03/575105203.db2.gz UUYWZWPDACFNGE-LLVKDONJSA-N 0 3 280.393 2.012 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)OCCO)c2c1c(F)ccc2[O-] ZINC000806664427 622968946 /nfs/dbraw/zinc/96/89/46/622968946.db2.gz PZZWUMKNMZRMRQ-ZYHUDNBSSA-N 0 3 297.370 2.457 20 10 CECDHN C[C@@H]1C[C@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247412 623322761 /nfs/dbraw/zinc/32/27/61/623322761.db2.gz HBCSCXWJNPQPPY-WQVCFCJDSA-N 0 3 289.423 2.128 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1O ZINC000779199677 623398148 /nfs/dbraw/zinc/39/81/48/623398148.db2.gz GNAVBVNNGDFXOH-XHDPSFHLSA-N 0 3 266.360 2.094 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892790534 627774599 /nfs/dbraw/zinc/77/45/99/627774599.db2.gz DSTNVBURLKUAAC-QWHCGFSZSA-N 0 3 281.327 2.116 20 10 CECDHN CNC(=O)[C@H](CC(C)C)NCc1ccc(N(C)C)cc1C ZINC000840936998 628755138 /nfs/dbraw/zinc/75/51/38/628755138.db2.gz QDOISZYJLNRZQY-INIZCTEOSA-N 0 3 291.439 2.311 20 10 CECDHN C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1cc(F)ccc1[O-] ZINC000094617143 628928872 /nfs/dbraw/zinc/92/88/72/628928872.db2.gz ANNKEKXXCVJGBT-JTQLQIEISA-N 0 3 288.322 2.481 20 10 CECDHN CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000248385270 629141599 /nfs/dbraw/zinc/14/15/99/629141599.db2.gz HSXGHLZSOFBXKJ-CABCVRRESA-N 0 3 292.423 2.400 20 10 CECDHN CC[C@@H]([NH2+]CCCn1ccnn1)c1ccc(C)cc1[O-] ZINC000794813544 629327087 /nfs/dbraw/zinc/32/70/87/629327087.db2.gz APAZOCSWYUJQJT-CQSZACIVSA-N 0 3 274.368 2.423 20 10 CECDHN CCOc1ccc(C[NH2+]CCO[C@@H]2CCCCO2)c([O-])c1 ZINC000894798571 629646766 /nfs/dbraw/zinc/64/67/66/629646766.db2.gz GFFSTRGNGPFUTD-MRXNPFEDSA-N 0 3 295.379 2.424 20 10 CECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@@H]3CO)c2c1 ZINC000902631467 634753163 /nfs/dbraw/zinc/75/31/63/634753163.db2.gz WZJFNZLFUCPHDF-GFCCVEGCSA-N 0 3 273.332 2.121 20 10 CECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@@H]3CO)c2c1 ZINC000902631467 634753167 /nfs/dbraw/zinc/75/31/67/634753167.db2.gz WZJFNZLFUCPHDF-GFCCVEGCSA-N 0 3 273.332 2.121 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000310955067 629747253 /nfs/dbraw/zinc/74/72/53/629747253.db2.gz CDUMKFPTZWIQRN-CQSZACIVSA-N 0 3 266.772 2.231 20 10 CECDHN Cc1nc([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000896240112 630509619 /nfs/dbraw/zinc/50/96/19/630509619.db2.gz NUYJQEKELYBPML-GFCCVEGCSA-N 0 3 259.309 2.073 20 10 CECDHN Cc1nc([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000896240112 630509620 /nfs/dbraw/zinc/50/96/20/630509620.db2.gz NUYJQEKELYBPML-GFCCVEGCSA-N 0 3 259.309 2.073 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](C)CC(C)(C)O ZINC000824695679 635478490 /nfs/dbraw/zinc/47/84/90/635478490.db2.gz BCIMPDQOKYHTJJ-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN CC[C@H]1C[N@H+](Cc2c([O-])cccc2OC)CCCO1 ZINC000798965369 630958108 /nfs/dbraw/zinc/95/81/08/630958108.db2.gz WCBJGZNUJQZQAS-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2c([O-])cccc2OC)CCCO1 ZINC000798965369 630958114 /nfs/dbraw/zinc/95/81/14/630958114.db2.gz WCBJGZNUJQZQAS-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c([O-])c1 ZINC000897229352 631003778 /nfs/dbraw/zinc/00/37/78/631003778.db2.gz UIWPPGRHRJCDIK-INIZCTEOSA-N 0 3 290.407 2.044 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(C)cc1[O-] ZINC000800498478 631131357 /nfs/dbraw/zinc/13/13/57/631131357.db2.gz LCIVVKOZGWIATI-WCQYABFASA-N 0 3 282.359 2.216 20 10 CECDHN CCCC[N@H+](CCC(=O)N(C)OC)Cc1ccccc1[O-] ZINC000801596210 631295821 /nfs/dbraw/zinc/29/58/21/631295821.db2.gz SZHPCYTUKBZQRK-UHFFFAOYSA-N 0 3 294.395 2.404 20 10 CECDHN CCCC[N@@H+](CCC(=O)N(C)OC)Cc1ccccc1[O-] ZINC000801596210 631295822 /nfs/dbraw/zinc/29/58/22/631295822.db2.gz SZHPCYTUKBZQRK-UHFFFAOYSA-N 0 3 294.395 2.404 20 10 CECDHN COCCO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000802652386 631440406 /nfs/dbraw/zinc/44/04/06/631440406.db2.gz FVIBXSLXXAOIEA-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN COCCO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000802652386 631440411 /nfs/dbraw/zinc/44/04/11/631440411.db2.gz FVIBXSLXXAOIEA-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897511722 631603171 /nfs/dbraw/zinc/60/31/71/631603171.db2.gz PCICEUHYYRPTOQ-IUODEOHRSA-N 0 3 277.364 2.448 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](O)[C@@H](C)C2)cc1F ZINC000897683360 631869193 /nfs/dbraw/zinc/86/91/93/631869193.db2.gz CCEMDFFMKVOQDR-LRDDRELGSA-N 0 3 280.387 2.485 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@H](CO)COC(C)C)c([O-])c1 ZINC000809768449 632143077 /nfs/dbraw/zinc/14/30/77/632143077.db2.gz LGUDDADGIPKZMQ-CQSZACIVSA-N 0 3 297.395 2.009 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@H](CO)COC(C)C)c([O-])c1 ZINC000809768449 632143082 /nfs/dbraw/zinc/14/30/82/632143082.db2.gz LGUDDADGIPKZMQ-CQSZACIVSA-N 0 3 297.395 2.009 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnc3n2CCC3)c1 ZINC000825935560 635735328 /nfs/dbraw/zinc/73/53/28/635735328.db2.gz XYKRHZIFLCXCCV-NSHDSACASA-N 0 3 287.363 2.394 20 10 CECDHN CC[C@](C)(C[NH2+]Cc1ccc(OC)cc1[O-])OC ZINC000322509250 632214365 /nfs/dbraw/zinc/21/43/65/632214365.db2.gz ILXVIDZNZONLDV-CQSZACIVSA-N 0 3 253.342 2.306 20 10 CECDHN CN(C)c1ccc([C@H](CNCc2cocn2)N(C)C)cc1 ZINC000898450227 632498866 /nfs/dbraw/zinc/49/88/66/632498866.db2.gz PCAAEUCBCBTVBG-INIZCTEOSA-N 0 3 288.395 2.133 20 10 CECDHN CC[C@@H]1C(=O)NCCCN1Cc1ccc(N(C)C)cc1C ZINC000898547338 632532925 /nfs/dbraw/zinc/53/29/25/632532925.db2.gz FVOGRXDLOUVIJO-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN CC[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)CCO1 ZINC000817415395 633654636 /nfs/dbraw/zinc/65/46/36/633654636.db2.gz RZPSGRJTMFGDDQ-VXGBXAGGSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@H](N[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817942493 633791332 /nfs/dbraw/zinc/79/13/32/633791332.db2.gz ZZWDYNHNNAVDCA-WPRPVWTQSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817942493 633791334 /nfs/dbraw/zinc/79/13/34/633791334.db2.gz ZZWDYNHNNAVDCA-WPRPVWTQSA-N 0 3 256.296 2.073 20 10 CECDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817960931 633802385 /nfs/dbraw/zinc/80/23/85/633802385.db2.gz UPNMRDLHAVKRBC-NSHDSACASA-N 0 3 294.395 2.347 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972656 633815705 /nfs/dbraw/zinc/81/57/05/633815705.db2.gz ZHJVJGDTMADSBO-KKZNHRDASA-N 0 3 270.323 2.462 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972658 633816221 /nfs/dbraw/zinc/81/62/21/633816221.db2.gz ZHJVJGDTMADSBO-YWVKMMECSA-N 0 3 270.323 2.462 20 10 CECDHN COCC(C)(C)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000822497911 634931315 /nfs/dbraw/zinc/93/13/15/634931315.db2.gz OBASTCIPGLZIJQ-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCOC13CCOCC3)CC2 ZINC000903391146 635087644 /nfs/dbraw/zinc/08/76/44/635087644.db2.gz WFTOZEYGIMKFIT-UKRRQHHQSA-N 0 3 289.375 2.307 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccccc1[O-] ZINC000903387304 635097847 /nfs/dbraw/zinc/09/78/47/635097847.db2.gz GRTFNBYKOWNZSE-DOMZBBRYSA-N 0 3 277.364 2.381 20 10 CECDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CCOCC1 ZINC000826872870 635867541 /nfs/dbraw/zinc/86/75/41/635867541.db2.gz ZCAURXKRITUXLR-CQSZACIVSA-N 0 3 283.343 2.063 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876510417 650297152 /nfs/dbraw/zinc/29/71/52/650297152.db2.gz VBZWHWFDHFVGND-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876510417 650297156 /nfs/dbraw/zinc/29/71/56/650297156.db2.gz VBZWHWFDHFVGND-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCCCNC1 ZINC000841091386 637766985 /nfs/dbraw/zinc/76/69/85/637766985.db2.gz WRRGZIGDHTZJGS-LLVKDONJSA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(Cl)cccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841091386 637766993 /nfs/dbraw/zinc/76/69/93/637766993.db2.gz WRRGZIGDHTZJGS-LLVKDONJSA-N 0 3 254.761 2.277 20 10 CECDHN COC1([C@H](C)[NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000834555007 637865080 /nfs/dbraw/zinc/86/50/80/637865080.db2.gz JPEAGTYGXRGKFL-LBPRGKRZSA-N 0 3 265.353 2.066 20 10 CECDHN C[C@@H]1CCN(CC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834611532 637889989 /nfs/dbraw/zinc/88/99/89/637889989.db2.gz MJHJMRIJJLRFKQ-OCCSQVGLSA-N 0 3 260.381 2.311 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@]1(OC)CCOC1 ZINC000876654766 650378588 /nfs/dbraw/zinc/37/85/88/650378588.db2.gz OTGMZTOGULIZSF-MRXNPFEDSA-N 0 3 279.380 2.410 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@]1(OC)CCOC1 ZINC000876654766 650378590 /nfs/dbraw/zinc/37/85/90/650378590.db2.gz OTGMZTOGULIZSF-MRXNPFEDSA-N 0 3 279.380 2.410 20 10 CECDHN CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834901179 637981708 /nfs/dbraw/zinc/98/17/08/637981708.db2.gz QRZIYUUBQPGPIZ-YWVKMMECSA-N 0 3 280.343 2.194 20 10 CECDHN CNC(=O)[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835040492 638035388 /nfs/dbraw/zinc/03/53/88/638035388.db2.gz DHMMWIWQCMJQAR-MOEXGYKKSA-N 0 3 289.423 2.126 20 10 CECDHN Nc1ccc(CCNC(=O)[C@@H](N)C2CCCCCC2)cc1 ZINC000911782993 638407643 /nfs/dbraw/zinc/40/76/43/638407643.db2.gz NOBREBCISQTLEV-INIZCTEOSA-N 0 3 289.423 2.225 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000876805658 650440543 /nfs/dbraw/zinc/44/05/43/650440543.db2.gz DSHRYPBTZZAKPL-HZPDHXFCSA-N 0 3 277.364 2.080 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])N1CCCCC1 ZINC000226585833 639554384 /nfs/dbraw/zinc/55/43/84/639554384.db2.gz KZOPMUKJVVVDFP-LBPRGKRZSA-N 0 3 266.360 2.495 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000226611440 639555831 /nfs/dbraw/zinc/55/58/31/639555831.db2.gz OUUIPSQCGNKDSD-ZWNOBZJWSA-N 0 3 253.317 2.172 20 10 CECDHN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000840888167 639573503 /nfs/dbraw/zinc/57/35/03/639573503.db2.gz BTCPNDJJWZEUQC-LBPRGKRZSA-N 0 3 285.409 2.176 20 10 CECDHN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000840975010 639607795 /nfs/dbraw/zinc/60/77/95/639607795.db2.gz RYGVJURURYRLMA-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000840975010 639607798 /nfs/dbraw/zinc/60/77/98/639607798.db2.gz RYGVJURURYRLMA-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000841059566 639637057 /nfs/dbraw/zinc/63/70/57/639637057.db2.gz UNOHLODDPGBTLI-PELKAZGASA-N 0 3 272.751 2.272 20 10 CECDHN Cc1cc([O-])c(CN[C@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000841080296 639648400 /nfs/dbraw/zinc/64/84/00/639648400.db2.gz OJWAYGQMHBNRQX-LBPRGKRZSA-N 0 3 290.741 2.441 20 10 CECDHN COCC(C)(C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000311197847 639682848 /nfs/dbraw/zinc/68/28/48/639682848.db2.gz GXRHDRQEJXBVHQ-UHFFFAOYSA-N 0 3 253.342 2.163 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1[O-] ZINC000230206242 639746700 /nfs/dbraw/zinc/74/67/00/639746700.db2.gz QZZFOKUVORUCME-GHMZBOCLSA-N 0 3 251.326 2.194 20 10 CECDHN C[C@@H]([NH2+]CCc1ccn(C)n1)c1cc(F)ccc1[O-] ZINC000230899366 639804748 /nfs/dbraw/zinc/80/47/48/639804748.db2.gz UPPUAULYUSXUPI-SNVBAGLBSA-N 0 3 263.316 2.158 20 10 CECDHN CCn1nncc1CNCCCSc1nccs1 ZINC000841865570 639891055 /nfs/dbraw/zinc/89/10/55/639891055.db2.gz UGKRXIWAOMMOSD-UHFFFAOYSA-N 0 3 283.426 2.027 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000877029638 650537924 /nfs/dbraw/zinc/53/79/24/650537924.db2.gz JKTLNAJXRHTJGV-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1ccc(C[NH2+]C2(CO)Cc3ccccc3C2)c([O-])c1 ZINC000877035511 650541351 /nfs/dbraw/zinc/54/13/51/650541351.db2.gz HOOHCMQPTSNNLM-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000842753376 640169598 /nfs/dbraw/zinc/16/95/98/640169598.db2.gz FEYLCAFIFROCMR-VXGBXAGGSA-N 0 3 267.369 2.288 20 10 CECDHN CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000842753374 640169845 /nfs/dbraw/zinc/16/98/45/640169845.db2.gz FEYLCAFIFROCMR-RYUDHWBXSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1cc(Br)c([O-])c(CN2CC[C@H](C[NH3+])C2)c1 ZINC000843048407 640252569 /nfs/dbraw/zinc/25/25/69/640252569.db2.gz QKSJRUQPOLCGNI-SNVBAGLBSA-N 0 3 299.212 2.244 20 10 CECDHN C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Br)c1[O-] ZINC000843057876 640260289 /nfs/dbraw/zinc/26/02/89/640260289.db2.gz NFFQESDXLDGPEL-ZJUUUORDSA-N 0 3 299.212 2.324 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000877084398 650565056 /nfs/dbraw/zinc/56/50/56/650565056.db2.gz MOAFOVRQRHZDSC-GFCCVEGCSA-N 0 3 257.337 2.071 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@@H]2C[NH3+])c1[O-] ZINC000843353398 640400832 /nfs/dbraw/zinc/40/08/32/640400832.db2.gz HIPLHNNOIJZURT-BMIGLBTASA-N 0 3 294.370 2.293 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183527123 641761825 /nfs/dbraw/zinc/76/18/25/641761825.db2.gz JJOAUJUPCYVZDI-GHMZBOCLSA-N 0 3 255.383 2.157 20 10 CECDHN COc1ccc(O)c(CNCc2cnc(Cl)n2C)c1 ZINC000848535680 642041039 /nfs/dbraw/zinc/04/10/39/642041039.db2.gz FXDWONZMLVFAKV-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN COCCO[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877502972 650754483 /nfs/dbraw/zinc/75/44/83/650754483.db2.gz XMOQOPVQGCDONC-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN COCCO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877502972 650754485 /nfs/dbraw/zinc/75/44/85/650754485.db2.gz XMOQOPVQGCDONC-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000877530984 650770554 /nfs/dbraw/zinc/77/05/54/650770554.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000877530984 650770555 /nfs/dbraw/zinc/77/05/55/650770555.db2.gz HFDWRDIIQHJVIZ-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000850343905 642674460 /nfs/dbraw/zinc/67/44/60/642674460.db2.gz TWPDKIZFDVQZSG-GFCCVEGCSA-N 0 3 278.396 2.363 20 10 CECDHN CO[C@@]1(C)C[C@H]1NCc1ccc(N(C)C)c(F)c1 ZINC000850409363 642703517 /nfs/dbraw/zinc/70/35/17/642703517.db2.gz SCLSKLJRMPLOFK-KGLIPLIRSA-N 0 3 252.333 2.159 20 10 CECDHN CNC(=O)c1ccc(C[N@H+](C)Cc2ccccc2[O-])cc1 ZINC000109772789 642925719 /nfs/dbraw/zinc/92/57/19/642925719.db2.gz OFNZSZMIQQUKAC-UHFFFAOYSA-N 0 3 284.359 2.384 20 10 CECDHN CNC(=O)c1ccc(C[N@@H+](C)Cc2ccccc2[O-])cc1 ZINC000109772789 642925726 /nfs/dbraw/zinc/92/57/26/642925726.db2.gz OFNZSZMIQQUKAC-UHFFFAOYSA-N 0 3 284.359 2.384 20 10 CECDHN Cc1ccc(C[N@H+](CCOCCO)C2CCC2)c([O-])c1 ZINC000877630136 650822257 /nfs/dbraw/zinc/82/22/57/650822257.db2.gz ZEEBBOWKAOUKDO-UHFFFAOYSA-N 0 3 279.380 2.064 20 10 CECDHN Cc1ccc(C[N@@H+](CCOCCO)C2CCC2)c([O-])c1 ZINC000877630136 650822268 /nfs/dbraw/zinc/82/22/68/650822268.db2.gz ZEEBBOWKAOUKDO-UHFFFAOYSA-N 0 3 279.380 2.064 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)c([O-])c1 ZINC000922722909 643229742 /nfs/dbraw/zinc/22/97/42/643229742.db2.gz KBOCGUWROAGOIG-CFVMTHIKSA-N 0 3 289.375 2.472 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)[C@]1(O)CCCOC1 ZINC000877636835 650827811 /nfs/dbraw/zinc/82/78/11/650827811.db2.gz BUJWQPWVGZHANG-KRWDZBQOSA-N 0 3 293.407 2.358 20 10 CECDHN CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@H](C)[C@@H]2C)c1[O-] ZINC000923446330 643714276 /nfs/dbraw/zinc/71/42/76/643714276.db2.gz YGUGNBAIYUNQHQ-MXWKQRLJSA-N 0 3 294.370 2.305 20 10 CECDHN CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@H](C)[C@H]2C)c1[O-] ZINC000923446329 643714336 /nfs/dbraw/zinc/71/43/36/643714336.db2.gz YGUGNBAIYUNQHQ-GMTAPVOTSA-N 0 3 294.370 2.305 20 10 CECDHN C[NH2+]C[C@@H](C)NCc1cc(C)cc(Br)c1[O-] ZINC000853248629 643721920 /nfs/dbraw/zinc/72/19/20/643721920.db2.gz HZGAVYPUPKEPBF-SECBINFHSA-N 0 3 287.201 2.161 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)c([O-])c1 ZINC000877707152 650862880 /nfs/dbraw/zinc/86/28/80/650862880.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 0 3 290.407 2.317 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)c([O-])c1 ZINC000877707152 650862884 /nfs/dbraw/zinc/86/28/84/650862884.db2.gz YCYUEBLSMKJVCF-INIZCTEOSA-N 0 3 290.407 2.317 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877729782 650875952 /nfs/dbraw/zinc/87/59/52/650875952.db2.gz ZSTQSSHCZZDEME-CQSZACIVSA-N 0 3 295.354 2.207 20 10 CECDHN CCN(CC)c1ccc(CN2CC(CCO)C2)cc1 ZINC000839140410 644171609 /nfs/dbraw/zinc/17/16/09/644171609.db2.gz MTOVDIRPDSLJAL-UHFFFAOYSA-N 0 3 262.397 2.347 20 10 CECDHN CC(C)(C[NH+]1CCCC1)NC(=O)c1cc([O-])cs1 ZINC000854894093 644198098 /nfs/dbraw/zinc/19/80/98/644198098.db2.gz OQGUCHPFDUNEPE-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN C[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1[O-] ZINC000877757183 650899979 /nfs/dbraw/zinc/89/99/79/650899979.db2.gz LYGQXXDNSNEZQP-NSHDSACASA-N 0 3 287.363 2.273 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c([O-])c1 ZINC000756542564 644660548 /nfs/dbraw/zinc/66/05/48/644660548.db2.gz BIRMEUWWDYKFJB-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756595492 644673333 /nfs/dbraw/zinc/67/33/33/644673333.db2.gz WCEWIJUZSCBAFR-JFGNBEQYSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C)C2=O)c2c1c(F)ccc2[O-] ZINC000756637192 644676811 /nfs/dbraw/zinc/67/68/11/644676811.db2.gz HCXGVRWFIPUXGB-JLLWLGSASA-N 0 3 292.354 2.290 20 10 CECDHN CN(C)c1ccc(CN2CCCc3c(cnn3C)C2)cc1 ZINC000839624476 644757851 /nfs/dbraw/zinc/75/78/51/644757851.db2.gz HDNHUSKEPHWRLP-UHFFFAOYSA-N 0 3 284.407 2.435 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CN ZINC000843052577 644761338 /nfs/dbraw/zinc/76/13/38/644761338.db2.gz VUTXLBFIHWQBMC-MFKMUULPSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CN ZINC000843052577 644761344 /nfs/dbraw/zinc/76/13/44/644761344.db2.gz VUTXLBFIHWQBMC-MFKMUULPSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@@H]1CCCN(Cc2cccc(F)c2[O-])[C@H]1C[NH3+] ZINC000843052577 644761350 /nfs/dbraw/zinc/76/13/50/644761350.db2.gz VUTXLBFIHWQBMC-MFKMUULPSA-N 0 3 252.333 2.091 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@H]2CCCO2)cc1F ZINC000858087144 645055549 /nfs/dbraw/zinc/05/55/49/645055549.db2.gz UNBMEVJYFYGHOO-LLVKDONJSA-N 0 3 270.323 2.299 20 10 CECDHN C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858545805 645196946 /nfs/dbraw/zinc/19/69/46/645196946.db2.gz VHCGOZYDJTZSCO-GUDRVLHUSA-N 0 3 265.328 2.440 20 10 CECDHN CON(C)C(=O)[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000858580192 645209240 /nfs/dbraw/zinc/20/92/40/645209240.db2.gz XNBBJGTUWVJCSB-ATZCPNFKSA-N 0 3 296.342 2.078 20 10 CECDHN CO[C@]1(C[NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000763570466 645558618 /nfs/dbraw/zinc/55/86/18/645558618.db2.gz FEFZJCSOYIJWJQ-IETSOEAISA-N 0 3 295.354 2.475 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000767717739 646033824 /nfs/dbraw/zinc/03/38/24/646033824.db2.gz NFXVEQUPSBBGQW-HNNXBMFYSA-N 0 3 291.322 2.363 20 10 CECDHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768441813 646122648 /nfs/dbraw/zinc/12/26/48/646122648.db2.gz NTFGZJTXLSWKEA-AWEZNQCLSA-N 0 3 263.337 2.191 20 10 CECDHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768441813 646122649 /nfs/dbraw/zinc/12/26/49/646122649.db2.gz NTFGZJTXLSWKEA-AWEZNQCLSA-N 0 3 263.337 2.191 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000769468986 646274229 /nfs/dbraw/zinc/27/42/29/646274229.db2.gz RUUOXJIKSUJPLQ-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000769468986 646274236 /nfs/dbraw/zinc/27/42/36/646274236.db2.gz RUUOXJIKSUJPLQ-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(CO)CCCC1 ZINC000769934357 646337216 /nfs/dbraw/zinc/33/72/16/646337216.db2.gz BEMRRJFOXPSILJ-UHFFFAOYSA-N 0 3 265.353 2.043 20 10 CECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000862488940 646480064 /nfs/dbraw/zinc/48/00/64/646480064.db2.gz VFOKUXPQSREMRX-ZDUSSCGKSA-N 0 3 279.311 2.273 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000773415171 646736045 /nfs/dbraw/zinc/73/60/45/646736045.db2.gz LVRGYMMQOUUNBW-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN CCCN(C)CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775403609 646950414 /nfs/dbraw/zinc/95/04/14/646950414.db2.gz JNOSSVSHMBUKOR-ZDUSSCGKSA-N 0 3 277.412 2.272 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c([O-])c1 ZINC000782977133 647667672 /nfs/dbraw/zinc/66/76/72/647667672.db2.gz BYRIHBZSDVLKOB-GHMZBOCLSA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccccc1[O-] ZINC000783502611 647722554 /nfs/dbraw/zinc/72/25/54/647722554.db2.gz NRJXZCMQABJGEF-LBPRGKRZSA-N 0 3 295.346 2.219 20 10 CECDHN C[C@@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000866437576 647786786 /nfs/dbraw/zinc/78/67/86/647786786.db2.gz KBNAUYRRHCBDKD-GFCCVEGCSA-N 0 3 295.379 2.401 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000840826181 647886867 /nfs/dbraw/zinc/88/68/67/647886867.db2.gz RYEILTMQNIMCPC-SCVCMEIPSA-N 0 3 292.354 2.195 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)F)c1[O-] ZINC000792193475 648623305 /nfs/dbraw/zinc/62/33/05/648623305.db2.gz VDSCIHRTKPZOFY-SECBINFHSA-N 0 3 283.677 2.367 20 10 CECDHN CC(C)(CNC(=O)c1cc([O-])cs1)C[NH+]1CCCC1 ZINC000792520533 648649700 /nfs/dbraw/zinc/64/97/00/648649700.db2.gz DMADBTDUJHWCSI-UHFFFAOYSA-N 0 3 282.409 2.306 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)[NH2+]1 ZINC000125064333 649788901 /nfs/dbraw/zinc/78/89/01/649788901.db2.gz XZEFIMLYNCMWGW-AOOOYVTPSA-N 0 3 254.761 2.228 20 10 CECDHN C[C@@H]([NH2+]CCC1OCCCO1)c1ccccc1[O-] ZINC000879648160 651334985 /nfs/dbraw/zinc/33/49/85/651334985.db2.gz ANHYQPLXKUSXSY-LLVKDONJSA-N 0 3 251.326 2.196 20 10 CECDHN Cc1cccnc1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879649693 651335301 /nfs/dbraw/zinc/33/53/01/651335301.db2.gz BZJFRPOPPNZWIS-LBPRGKRZSA-N 0 3 285.347 2.385 20 10 CECDHN CC(C)OCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650686 651335577 /nfs/dbraw/zinc/33/55/77/651335577.db2.gz NESDVBVVCLJNJQ-STQMWFEESA-N 0 3 267.369 2.219 20 10 CECDHN Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650560 651335787 /nfs/dbraw/zinc/33/57/87/651335787.db2.gz HFLCFMXWBGPTPR-NSHDSACASA-N 0 3 278.377 2.275 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCOC1 ZINC000883352421 652438696 /nfs/dbraw/zinc/43/86/96/652438696.db2.gz AMWLMRLRSBAQMQ-WCQYABFASA-N 0 3 293.363 2.416 20 10 CECDHN CN1CCN(c2ccc(CNc3ccc(N)nc3)cc2)CC1 ZINC001167434757 802812658 /nfs/dbraw/zinc/81/26/58/802812658.db2.gz WEGHVQITUCHZAZ-UHFFFAOYSA-N 0 3 297.406 2.028 20 10 CECDHN C[C@@H]1[C@H]([NH3+])CCN1Cc1c([O-])cccc1Br ZINC000706852059 802843136 /nfs/dbraw/zinc/84/31/36/802843136.db2.gz KEBJUEVEQMCORL-LDYMZIIASA-N 0 3 285.185 2.076 20 10 CECDHN CCc1cccc(CNCC(=O)NCc2ccccc2)c1O ZINC000691438645 811766844 /nfs/dbraw/zinc/76/68/44/811766844.db2.gz QNVZVEDUTPNHDQ-UHFFFAOYSA-N 0 3 298.386 2.361 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000690727117 803032266 /nfs/dbraw/zinc/03/22/66/803032266.db2.gz PBIWEXKANGCGRH-NSHDSACASA-N 0 3 261.243 2.045 20 10 CECDHN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1[O-] ZINC000724348305 803088552 /nfs/dbraw/zinc/08/85/52/803088552.db2.gz ZTWIEYJCBRQHBZ-WODVXLOZSA-N 0 3 295.404 2.151 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000724604305 803194690 /nfs/dbraw/zinc/19/46/90/803194690.db2.gz OBEDGZXCYNKNIH-VLXAULBPSA-N 0 3 277.364 2.155 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001140954440 803627915 /nfs/dbraw/zinc/62/79/15/803627915.db2.gz RNFBARSCFCQSBQ-CQSZACIVSA-N 0 3 277.364 2.428 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001140954440 803627917 /nfs/dbraw/zinc/62/79/17/803627917.db2.gz RNFBARSCFCQSBQ-CQSZACIVSA-N 0 3 277.364 2.428 20 10 CECDHN Cc1n[nH]c(=O)c(C[NH2+][C@H]2CCc3cccc([O-])c32)c1C ZINC001117831009 814957915 /nfs/dbraw/zinc/95/79/15/814957915.db2.gz JVIDMKSUHZQDBI-ZDUSSCGKSA-N 0 3 285.347 2.282 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCN(c3ncccn3)CC2)c1 ZINC000125558569 804111115 /nfs/dbraw/zinc/11/11/15/804111115.db2.gz YIVPRFUDJOEDIO-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000722355843 804352783 /nfs/dbraw/zinc/35/27/83/804352783.db2.gz HFARTLFKRFEZTR-ZWNOBZJWSA-N 0 3 280.343 2.193 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@@H]2C)c1[O-] ZINC000699846503 807877207 /nfs/dbraw/zinc/87/72/07/807877207.db2.gz IQEGEMYVMBSZSY-GZMMTYOYSA-N 0 3 271.744 2.179 20 10 CECDHN c1cc2c(cc1CN[C@H]1CCCC13OCCO3)CCCO2 ZINC000922256883 809088298 /nfs/dbraw/zinc/08/82/98/809088298.db2.gz BJPNNBGFPCMMGF-INIZCTEOSA-N 0 3 289.375 2.397 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1[O-] ZINC001172158001 815323904 /nfs/dbraw/zinc/32/39/04/815323904.db2.gz BIDDXRQBMDGASI-FRRDWIJNSA-N 0 3 274.364 2.196 20 10 CECDHN CC(=O)N1CC[C@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001169511545 811546332 /nfs/dbraw/zinc/54/63/32/811546332.db2.gz WPAFWWAGMIGVPH-INIZCTEOSA-N 0 3 284.359 2.256 20 10 CECDHN CC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC001169580919 811588323 /nfs/dbraw/zinc/58/83/23/811588323.db2.gz ZZWPPQWLTCLDSK-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000388733966 813243114 /nfs/dbraw/zinc/24/31/14/813243114.db2.gz CGYHEYBMXXXAJW-GHMZBOCLSA-N 0 3 253.317 2.436 20 10 CECDHN CC(C)[C@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000394073297 813336282 /nfs/dbraw/zinc/33/62/82/813336282.db2.gz RTLVYMFYGKOFGO-MNOVXSKESA-N 0 3 255.333 2.446 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116444084 814853663 /nfs/dbraw/zinc/85/36/63/814853663.db2.gz QDYJVIYBEUIIAG-DOMZBBRYSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001116444084 814853668 /nfs/dbraw/zinc/85/36/68/814853668.db2.gz QDYJVIYBEUIIAG-DOMZBBRYSA-N 0 3 277.364 2.402 20 10 CECDHN CN1CCN(c2ccc(CN3CC=CCC3)cc2F)CC1 ZINC001116506810 814858770 /nfs/dbraw/zinc/85/87/70/814858770.db2.gz HOXWTBVYUASZIH-UHFFFAOYSA-N 0 3 289.398 2.339 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137840243 815696051 /nfs/dbraw/zinc/69/60/51/815696051.db2.gz UKTRTTVWNATNAY-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137840243 815696053 /nfs/dbraw/zinc/69/60/53/815696053.db2.gz UKTRTTVWNATNAY-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN OCC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138219831 815750669 /nfs/dbraw/zinc/75/06/69/815750669.db2.gz PQLPNQCWCOTCFB-UHFFFAOYSA-N 0 3 260.381 2.101 20 10 CECDHN CN1CCCc2cc(CN3CC[C@]34CCOC4)ccc21 ZINC001138358986 815774843 /nfs/dbraw/zinc/77/48/43/815774843.db2.gz GFIREDUIGOUUEW-QGZVFWFLSA-N 0 3 272.392 2.434 20 10 CECDHN C[C@@H]1CN(Cc2ccc3c(c2)CCCN3C)CCN1C ZINC001138356135 815775572 /nfs/dbraw/zinc/77/55/72/815775572.db2.gz IJEAINDZROOWJM-CQSZACIVSA-N 0 3 273.424 2.205 20 10 CECDHN CN(C)Cc1ccccc1N(CCO)c1ccc(N)cc1 ZINC001173930139 815863511 /nfs/dbraw/zinc/86/35/11/815863511.db2.gz RWRJKYXKOQANIV-UHFFFAOYSA-N 0 3 285.391 2.461 20 10 CECDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055139 816179033 /nfs/dbraw/zinc/17/90/33/816179033.db2.gz LDIBWPCDAMSINB-JQWIXIFHSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055139 816179038 /nfs/dbraw/zinc/17/90/38/816179038.db2.gz LDIBWPCDAMSINB-JQWIXIFHSA-N 0 3 281.327 2.162 20 10 CECDHN CC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C)CC1 ZINC001140055662 816179567 /nfs/dbraw/zinc/17/95/67/816179567.db2.gz OMJUCYQJDTXTCL-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C)CC1 ZINC001140055662 816179570 /nfs/dbraw/zinc/17/95/70/816179570.db2.gz OMJUCYQJDTXTCL-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[NH+]1C[C@@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001140342573 816238210 /nfs/dbraw/zinc/23/82/10/816238210.db2.gz PPSBTMVCOXYMST-VXGBXAGGSA-N 0 3 280.799 2.429 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031719 816450394 /nfs/dbraw/zinc/45/03/94/816450394.db2.gz ITFIEMNSPIJUTD-NEPJUHHUSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c(OC)c1 ZINC001141031719 816450395 /nfs/dbraw/zinc/45/03/95/816450395.db2.gz ITFIEMNSPIJUTD-NEPJUHHUSA-N 0 3 295.379 2.002 20 10 CECDHN CN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143102100 816785343 /nfs/dbraw/zinc/78/53/43/816785343.db2.gz YEBXMCVKUCBPJF-UHFFFAOYSA-N 0 3 262.397 2.437 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1[O-] ZINC000037782036 361936247 /nfs/dbraw/zinc/93/62/47/361936247.db2.gz IWVFYIFRMQJMNZ-NWDGAFQWSA-N 0 3 262.353 2.054 20 10 CECDHN COc1cc(O)c(CN2CCSC[C@H]2C)cc1OC ZINC000179444574 344504907 /nfs/dbraw/zinc/50/49/07/344504907.db2.gz OAIMJDFKQQEHHY-SNVBAGLBSA-N 0 3 283.393 2.347 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C2(COC)CCC2)c1 ZINC000283798941 344677676 /nfs/dbraw/zinc/67/76/76/344677676.db2.gz AGAYBAPTAOWBNG-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128267985 260373361 /nfs/dbraw/zinc/37/33/61/260373361.db2.gz YSWJFDPQFQHZAC-QWHCGFSZSA-N 0 3 265.353 2.040 20 10 CECDHN CC[C@](C)(CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000134472330 366327157 /nfs/dbraw/zinc/32/71/57/366327157.db2.gz KEWAWMANRDEGQS-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C ZINC000076073963 283297511 /nfs/dbraw/zinc/29/75/11/283297511.db2.gz SVOVDMBZBNUGOV-GFCCVEGCSA-N 0 3 264.369 2.081 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C ZINC000076073963 283297513 /nfs/dbraw/zinc/29/75/13/283297513.db2.gz SVOVDMBZBNUGOV-GFCCVEGCSA-N 0 3 264.369 2.081 20 10 CECDHN Cc1nn(C)c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000017318067 361508688 /nfs/dbraw/zinc/50/86/88/361508688.db2.gz KGPBOLFAXJGLLQ-UHFFFAOYSA-N 0 3 272.396 2.393 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000020120756 361582314 /nfs/dbraw/zinc/58/23/14/361582314.db2.gz FKYJOJANCMMKQG-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCCNC1=O ZINC000120201283 365387209 /nfs/dbraw/zinc/38/72/09/365387209.db2.gz AZMYBAAWOVZAKN-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCCNC1=O ZINC000120201283 365387213 /nfs/dbraw/zinc/38/72/13/365387213.db2.gz AZMYBAAWOVZAKN-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c1[O-] ZINC000160630790 367022105 /nfs/dbraw/zinc/02/21/05/367022105.db2.gz GUWGTDRJIICNKK-GFCCVEGCSA-N 0 3 265.353 2.448 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)C(C)(C)N)cc1F ZINC000167740131 367342612 /nfs/dbraw/zinc/34/26/12/367342612.db2.gz NHVHGBMJLHJQCD-UHFFFAOYSA-N 0 3 281.375 2.025 20 10 CECDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168771259 367360411 /nfs/dbraw/zinc/36/04/11/367360411.db2.gz DGXDICSGKLLZNU-WDEREUQCSA-N 0 3 253.342 2.212 20 10 CECDHN CCCCC[N@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000179667830 368346503 /nfs/dbraw/zinc/34/65/03/368346503.db2.gz HHRBMFMABOWTMV-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN CCCCC[N@@H+](CCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000179667830 368346505 /nfs/dbraw/zinc/34/65/05/368346505.db2.gz HHRBMFMABOWTMV-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN CCCCCN(CC(N)=O)Cc1cc(C)ccc1O ZINC000180805041 368396487 /nfs/dbraw/zinc/39/64/87/368396487.db2.gz ABMQEMLKVBSWND-UHFFFAOYSA-N 0 3 264.369 2.178 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180418853 368380382 /nfs/dbraw/zinc/38/03/82/368380382.db2.gz GGNUQQWRSBZQKV-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180418853 368380384 /nfs/dbraw/zinc/38/03/84/368380384.db2.gz GGNUQQWRSBZQKV-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1noc(CC[NH2+][C@@H](C)c2cc(C)ccc2[O-])n1 ZINC000185972062 368895959 /nfs/dbraw/zinc/89/59/59/368895959.db2.gz IVNXMAICAYDJLY-JTQLQIEISA-N 0 3 261.325 2.285 20 10 CECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000188906144 369427849 /nfs/dbraw/zinc/42/78/49/369427849.db2.gz YNZBOCBONNPOPV-GDBMZVCRSA-N 0 3 297.370 2.187 20 10 CECDHN CCCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000189346617 369503188 /nfs/dbraw/zinc/50/31/88/369503188.db2.gz YXXVVGSRVMLFET-GJZGRUSLSA-N 0 3 279.380 2.430 20 10 CECDHN CCN(Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000189863860 369573223 /nfs/dbraw/zinc/57/32/23/369573223.db2.gz DICRVRBMPBDWOK-NSHDSACASA-N 0 3 263.259 2.137 20 10 CECDHN CCCN(CC[NH+](CC)CC)C(=O)c1cccc(O)c1[O-] ZINC000193164246 369899936 /nfs/dbraw/zinc/89/99/36/369899936.db2.gz GYFGZEKWDRLCBB-UHFFFAOYSA-N 0 3 294.395 2.292 20 10 CECDHN C[N@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC000194536520 370048461 /nfs/dbraw/zinc/04/84/61/370048461.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN C[N@@H+]1C[C@H]2CN(Cc3cc(Cl)ccc3[O-])C[C@H]2C1 ZINC000194536520 370048464 /nfs/dbraw/zinc/04/84/64/370048464.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC000194536520 370048469 /nfs/dbraw/zinc/04/84/69/370048469.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])C[C@@H]2C1 ZINC000194536520 370048472 /nfs/dbraw/zinc/04/84/72/370048472.db2.gz ZGGDMSBDONNTJE-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN C[C@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2c([O-])cccc21 ZINC000638317610 370442697 /nfs/dbraw/zinc/44/26/97/370442697.db2.gz MLVJHBZSRXJFEB-CMPLNLGQSA-N 0 3 272.348 2.280 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000247260902 371084751 /nfs/dbraw/zinc/08/47/51/371084751.db2.gz XQNCVYVCCLLOJH-BFYDXBDKSA-N 0 3 291.391 2.469 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000268899186 372278431 /nfs/dbraw/zinc/27/84/31/372278431.db2.gz ZPUMCZSUWPLJEP-TZMCWYRMSA-N 0 3 275.396 2.024 20 10 CECDHN CO[C@@H](C)[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269057619 372328704 /nfs/dbraw/zinc/32/87/04/372328704.db2.gz WYMMUZPULDSVRQ-MNOVXSKESA-N 0 3 254.349 2.405 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC23CCOCC3)cc1OC ZINC000365815104 372944633 /nfs/dbraw/zinc/94/46/33/372944633.db2.gz KOTWBDAAWCBXHE-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC23CCOCC3)cc1OC ZINC000365815104 372944641 /nfs/dbraw/zinc/94/46/41/372944641.db2.gz KOTWBDAAWCBXHE-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc(O)c(CN2CCC23CCOCC3)cc1OC ZINC000365815104 372944648 /nfs/dbraw/zinc/94/46/48/372944648.db2.gz KOTWBDAAWCBXHE-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN COC(=O)C[C@@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000271162735 373153635 /nfs/dbraw/zinc/15/36/35/373153635.db2.gz AZWSDDHJRVSYFH-ZDUSSCGKSA-N 0 3 294.370 2.419 20 10 CECDHN CC(=O)NCC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271152223 373146165 /nfs/dbraw/zinc/14/61/65/373146165.db2.gz UXJJMJZWQDTWNM-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271873089 373203921 /nfs/dbraw/zinc/20/39/21/373203921.db2.gz YJBCBYOWRJRGPJ-CQSZACIVSA-N 0 3 298.814 2.164 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1F ZINC000272322538 373428785 /nfs/dbraw/zinc/42/87/85/373428785.db2.gz IRCLUYIBASXTLJ-ZIAGYGMSSA-N 0 3 266.360 2.141 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000272513071 373526086 /nfs/dbraw/zinc/52/60/86/373526086.db2.gz XGQDJFSQQDMZLH-ZDUSSCGKSA-N 0 3 281.327 2.307 20 10 CECDHN CC[N@H+](CCCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000273791466 373770072 /nfs/dbraw/zinc/77/00/72/373770072.db2.gz VJIQBQJMDUJICO-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN CC[N@@H+](CCCO)Cc1cc(Cl)cc(OC)c1[O-] ZINC000273791466 373770080 /nfs/dbraw/zinc/77/00/80/373770080.db2.gz VJIQBQJMDUJICO-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273347918 373751965 /nfs/dbraw/zinc/75/19/65/373751965.db2.gz BBHLHQWMNUBPDS-OLZOCXBDSA-N 0 3 267.369 2.057 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273359260 373754040 /nfs/dbraw/zinc/75/40/40/373754040.db2.gz ACUFWHADJCXYEG-NWDGAFQWSA-N 0 3 260.341 2.031 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273581534 373764453 /nfs/dbraw/zinc/76/44/53/373764453.db2.gz MTLGGLRZRUQPDU-XJKSGUPXSA-N 0 3 281.396 2.447 20 10 CECDHN CC[C@H]1CN(Cc2cc(OC)c(OC)cc2O)CCCO1 ZINC000281276186 375369217 /nfs/dbraw/zinc/36/92/17/375369217.db2.gz OCAFCQFGHSVBNS-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN Cc1cccc(CN[C@@]2(CO)CCOc3ccccc32)c1O ZINC000282159753 375417467 /nfs/dbraw/zinc/41/74/67/375417467.db2.gz DHPUYOUMVWKVTC-GOSISDBHSA-N 0 3 299.370 2.461 20 10 CECDHN COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2[O-])CCC1 ZINC000282317003 375454851 /nfs/dbraw/zinc/45/48/51/375454851.db2.gz HKZIFYRCPNYADD-UHFFFAOYSA-N 0 3 295.379 2.316 20 10 CECDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NCCF)c(O)c1C ZINC000282773567 375571543 /nfs/dbraw/zinc/57/15/43/375571543.db2.gz PAUWIEZEIWBBKN-NEPJUHHUSA-N 0 3 282.359 2.134 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284410882 375828200 /nfs/dbraw/zinc/82/82/00/375828200.db2.gz QMMZTVWZUCVIHX-NSHDSACASA-N 0 3 265.353 2.357 20 10 CECDHN Cc1cc(O)c(CNCc2n[nH]c(C3CC3)n2)cc1C ZINC000294725427 378016426 /nfs/dbraw/zinc/01/64/26/378016426.db2.gz FVJLDPAPSKVHTM-UHFFFAOYSA-N 0 3 272.352 2.294 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC2CC2)c([O-])c1 ZINC000294381248 377985484 /nfs/dbraw/zinc/98/54/84/377985484.db2.gz RLPZDNMCHOCKBA-GFCCVEGCSA-N 0 3 276.380 2.186 20 10 CECDHN Cc1cc(C)c([C@@H](C)NCC(=O)NCC2CC2)c(O)c1 ZINC000294381248 377985488 /nfs/dbraw/zinc/98/54/88/377985488.db2.gz RLPZDNMCHOCKBA-GFCCVEGCSA-N 0 3 276.380 2.186 20 10 CECDHN CN(C)c1ccc(CN(C)CC(C)(C)CO)cc1F ZINC000294775668 378018186 /nfs/dbraw/zinc/01/81/86/378018186.db2.gz KPBFYXFLKSSKEL-UHFFFAOYSA-N 0 3 268.376 2.342 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](SC)C2)c1 ZINC000295098496 378041306 /nfs/dbraw/zinc/04/13/06/378041306.db2.gz SJHMZDAXHLJRRT-GFCCVEGCSA-N 0 3 253.367 2.338 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](SC)C2)c1 ZINC000295098496 378041311 /nfs/dbraw/zinc/04/13/11/378041311.db2.gz SJHMZDAXHLJRRT-GFCCVEGCSA-N 0 3 253.367 2.338 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000295150691 378044791 /nfs/dbraw/zinc/04/47/91/378044791.db2.gz RAXSXQLSJMECLF-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCCO1 ZINC000296558988 378574518 /nfs/dbraw/zinc/57/45/18/378574518.db2.gz UDNQDOIEJWRWLC-GFCCVEGCSA-N 0 3 263.337 2.122 20 10 CECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(OC)c1[O-] ZINC000527783820 379812581 /nfs/dbraw/zinc/81/25/81/379812581.db2.gz WGLPZGNROAOGOV-OCCSQVGLSA-N 0 3 251.326 2.058 20 10 CECDHN CCO[C@@]1(C)C[C@H]1NCc1cccc(OC)c1O ZINC000527783820 379812585 /nfs/dbraw/zinc/81/25/85/379812585.db2.gz WGLPZGNROAOGOV-OCCSQVGLSA-N 0 3 251.326 2.058 20 10 CECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000529652804 380182061 /nfs/dbraw/zinc/18/20/61/380182061.db2.gz QJQMMHCMMPKSBN-CABCVRRESA-N 0 3 281.352 2.067 20 10 CECDHN CCO[C@@]1(C)C[C@H]1NCc1cc(OC)c(OC)cc1O ZINC000529652804 380182066 /nfs/dbraw/zinc/18/20/66/380182066.db2.gz QJQMMHCMMPKSBN-CABCVRRESA-N 0 3 281.352 2.067 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCc3nccn3C1)CC2 ZINC000296253577 285397582 /nfs/dbraw/zinc/39/75/82/285397582.db2.gz BJYHTYLRPFJZGU-TZMCWYRMSA-N 0 3 283.375 2.428 20 10 CECDHN CCN1CC[C@@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228671424 394476585 /nfs/dbraw/zinc/47/65/85/394476585.db2.gz IVZQNPBEIDZPOI-NSHDSACASA-N 0 3 298.814 2.486 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccccc1[O-] ZINC000229574316 394478312 /nfs/dbraw/zinc/47/83/12/394478312.db2.gz LNBYNHKAYCFFPL-AAEUAGOBSA-N 0 3 253.342 2.094 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000270478165 394736014 /nfs/dbraw/zinc/73/60/14/394736014.db2.gz IZAIDTUWBOXUBI-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN Cc1ccc(O)c(CNC[C@@](C)(O)C(F)(F)F)c1 ZINC000270478165 394736016 /nfs/dbraw/zinc/73/60/16/394736016.db2.gz IZAIDTUWBOXUBI-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](C)Cn2ccnc2C)c1[O-] ZINC000105442782 394722068 /nfs/dbraw/zinc/72/20/68/394722068.db2.gz PIDVXGMTEAFENB-LBPRGKRZSA-N 0 3 289.379 2.332 20 10 CECDHN COCCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000120448125 394779476 /nfs/dbraw/zinc/77/94/76/394779476.db2.gz GCFUKIHHIHGYKA-UHFFFAOYSA-N 0 3 254.349 2.360 20 10 CECDHN C[C@H]([NH2+]CC1=CCN(C)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273502079 394788379 /nfs/dbraw/zinc/78/83/79/394788379.db2.gz QHHQSXDOIWPELX-NSHDSACASA-N 0 3 291.351 2.213 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000122782244 394816736 /nfs/dbraw/zinc/81/67/36/394816736.db2.gz WNANISVVBKVHRC-CQSZACIVSA-N 0 3 291.439 2.489 20 10 CECDHN Cc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000281873162 394865928 /nfs/dbraw/zinc/86/59/28/394865928.db2.gz UVQTWUAKJKKZTH-GOSISDBHSA-N 0 3 267.394 2.091 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CSCCS2)c1[O-] ZINC000125227625 394842098 /nfs/dbraw/zinc/84/20/98/394842098.db2.gz MDFNAFPLUJAHDN-NSHDSACASA-N 0 3 285.434 2.339 20 10 CECDHN CN(C)c1ccc(CN(C)[C@@H]2CCOC2)cc1F ZINC000132076745 394923864 /nfs/dbraw/zinc/92/38/64/394923864.db2.gz QTUCFWUYSJYWGF-GFCCVEGCSA-N 0 3 252.333 2.112 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373483712 395061570 /nfs/dbraw/zinc/06/15/70/395061570.db2.gz VUEYXNMJDVPQFJ-GDBMZVCRSA-N 0 3 277.364 2.162 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373483712 395061576 /nfs/dbraw/zinc/06/15/76/395061576.db2.gz VUEYXNMJDVPQFJ-GDBMZVCRSA-N 0 3 277.364 2.162 20 10 CECDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000373498197 395062131 /nfs/dbraw/zinc/06/21/31/395062131.db2.gz OPDRCUCBZJXXDT-DGCLKSJQSA-N 0 3 294.370 2.133 20 10 CECDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375857755 395101494 /nfs/dbraw/zinc/10/14/94/395101494.db2.gz DLMCWRSPLQSNSM-JKSUJKDBSA-N 0 3 288.391 2.368 20 10 CECDHN CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375857755 395101496 /nfs/dbraw/zinc/10/14/96/395101496.db2.gz DLMCWRSPLQSNSM-JKSUJKDBSA-N 0 3 288.391 2.368 20 10 CECDHN O=C1CCCN1C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000374284939 395079856 /nfs/dbraw/zinc/07/98/56/395079856.db2.gz WTLRSFMQSYEVIH-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCN1C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000374284939 395079859 /nfs/dbraw/zinc/07/98/59/395079859.db2.gz WTLRSFMQSYEVIH-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN COc1ccc([O-])c(C[N@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000289537133 395080469 /nfs/dbraw/zinc/08/04/69/395080469.db2.gz QFEMIWNYVAKSSL-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](CC2CCC2)[C@H](C)CO)c1 ZINC000289537133 395080473 /nfs/dbraw/zinc/08/04/73/395080473.db2.gz QFEMIWNYVAKSSL-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)c1 ZINC000168840240 395089049 /nfs/dbraw/zinc/08/90/49/395089049.db2.gz RCYJNUVGLHCXJD-FDMGOTLNSA-N 0 3 285.409 2.209 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000376200506 395112509 /nfs/dbraw/zinc/11/25/09/395112509.db2.gz XFGMDTSOQWXVAO-CYBMUJFWSA-N 0 3 287.363 2.161 20 10 CECDHN CNC(=O)[C@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000179335552 395190873 /nfs/dbraw/zinc/19/08/73/395190873.db2.gz VJTKONLUYOSGDY-CQSZACIVSA-N 0 3 276.380 2.110 20 10 CECDHN COc1ccc(N2CCN(CC[C@@H]3CCCO3)CC2)cc1 ZINC000188601225 395317387 /nfs/dbraw/zinc/31/73/87/395317387.db2.gz TZDKLRMNVCKYBQ-KRWDZBQOSA-N 0 3 290.407 2.386 20 10 CECDHN CC(C)[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183395206 395256060 /nfs/dbraw/zinc/25/60/60/395256060.db2.gz NVQMOTGOVJXQCD-ZBFHGGJFSA-N 0 3 292.423 2.400 20 10 CECDHN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617705 286829714 /nfs/dbraw/zinc/82/97/14/286829714.db2.gz JWQITPJMKIVZKH-QWRGUYRKSA-N 0 3 280.343 2.193 20 10 CECDHN CC[C@@H](N[C@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048538 286930316 /nfs/dbraw/zinc/93/03/16/286930316.db2.gz WYAHFYQIAKKAJD-GDBMZVCRSA-N 0 3 280.412 2.191 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000020208955 171073425 /nfs/dbraw/zinc/07/34/25/171073425.db2.gz ASOCTUIMADJRAU-HZMBPMFUSA-N 0 3 251.326 2.058 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091662377 260266468 /nfs/dbraw/zinc/26/64/68/260266468.db2.gz ZVOGOFMNQMJISF-RRFJBIMHSA-N 0 3 290.407 2.214 20 10 CECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000154010261 261086844 /nfs/dbraw/zinc/08/68/44/261086844.db2.gz XRPTWACNSOSLQL-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1[O-] ZINC000155280396 261100115 /nfs/dbraw/zinc/10/01/15/261100115.db2.gz CVAKHGFATHGFKO-MRXNPFEDSA-N 0 3 292.423 2.280 20 10 CECDHN CC(=O)NC[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000155602110 261104614 /nfs/dbraw/zinc/10/46/14/261104614.db2.gz UGTJWMXOTSDPRL-INIZCTEOSA-N 0 3 289.423 2.101 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000155936752 261109878 /nfs/dbraw/zinc/10/98/78/261109878.db2.gz PKOXZESLHKKWAD-GDBMZVCRSA-N 0 3 292.423 2.401 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000155936626 261110226 /nfs/dbraw/zinc/11/02/26/261110226.db2.gz PKOXZESLHKKWAD-ZBFHGGJFSA-N 0 3 292.423 2.401 20 10 CECDHN COc1ccc(O)c(CNCc2cnc3n2CCCC3)c1 ZINC000367435101 261964466 /nfs/dbraw/zinc/96/44/66/261964466.db2.gz AQNRKWQNXMIFJC-UHFFFAOYSA-N 0 3 287.363 2.223 20 10 CECDHN CC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184705963 262026772 /nfs/dbraw/zinc/02/67/72/262026772.db2.gz KIIJXCXVYWGDEP-ZDUSSCGKSA-N 0 3 273.760 2.305 20 10 CECDHN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185438734 262054589 /nfs/dbraw/zinc/05/45/89/262054589.db2.gz ZKOGZCWKLILRRZ-PGUXBMHVSA-N 0 3 267.369 2.458 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185787864 262070735 /nfs/dbraw/zinc/07/07/35/262070735.db2.gz YTIBJUGELYAXCX-RYUDHWBXSA-N 0 3 292.379 2.062 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186030303 262076386 /nfs/dbraw/zinc/07/63/86/262076386.db2.gz JRNQKXLOSYITFV-NWDGAFQWSA-N 0 3 285.409 2.174 20 10 CECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2cc(C)ccc2[O-])C1(C)C ZINC000186590014 262100955 /nfs/dbraw/zinc/10/09/55/262100955.db2.gz XRBGLKOSUAWNJC-WBVHZDCISA-N 0 3 293.407 2.356 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274275355 263022649 /nfs/dbraw/zinc/02/26/49/263022649.db2.gz SPDORPVYHMRRRX-UHFFFAOYSA-N 0 3 275.377 2.027 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1 ZINC000361991434 266915026 /nfs/dbraw/zinc/91/50/26/266915026.db2.gz NYFJDSORELUJEK-AWEZNQCLSA-N 0 3 299.374 2.146 20 10 CECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)c1ccc[nH]1 ZINC000367529986 267097414 /nfs/dbraw/zinc/09/74/14/267097414.db2.gz YHCHDMKPALLZGT-UHFFFAOYSA-N 0 3 299.374 2.115 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000369397468 267240584 /nfs/dbraw/zinc/24/05/84/267240584.db2.gz GZOIPBXZJAFVNR-OAHLLOKOSA-N 0 3 294.782 2.066 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)c1[O-] ZINC000369397468 267240587 /nfs/dbraw/zinc/24/05/87/267240587.db2.gz GZOIPBXZJAFVNR-OAHLLOKOSA-N 0 3 294.782 2.066 20 10 CECDHN CCOc1ccc(O)c(CN2CCOC[C@@H](C)C2)c1 ZINC000370054488 267286967 /nfs/dbraw/zinc/28/69/67/267286967.db2.gz WIMCPDAECSJCEE-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000370054488 267286968 /nfs/dbraw/zinc/28/69/68/267286968.db2.gz WIMCPDAECSJCEE-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000370054488 267286970 /nfs/dbraw/zinc/28/69/70/267286970.db2.gz WIMCPDAECSJCEE-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(F)cc1[O-] ZINC000370399379 267316818 /nfs/dbraw/zinc/31/68/18/267316818.db2.gz UCGWHZOQXRZIEW-SKDRFNHKSA-N 0 3 275.327 2.463 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](OC)CC2)cc1OC ZINC000377242723 268059189 /nfs/dbraw/zinc/05/91/89/268059189.db2.gz HVLUKYKDCAJXAE-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](OC)CC2)cc1OC ZINC000377242723 268059192 /nfs/dbraw/zinc/05/91/92/268059192.db2.gz HVLUKYKDCAJXAE-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN CNC(=O)C1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297823680 277223486 /nfs/dbraw/zinc/22/34/86/277223486.db2.gz RNIJQXXIACUQJE-RUXDESIVSA-N 0 3 288.391 2.274 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941813 295168325 /nfs/dbraw/zinc/16/83/25/295168325.db2.gz ANWWKFZPSRKPCU-MNOVXSKESA-N 0 3 253.342 2.212 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(C3CC3)CC2)c1 ZINC000179732546 329208095 /nfs/dbraw/zinc/20/80/95/329208095.db2.gz ANGCSDHKJATIQU-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCN(C3CC3)CC2)c1 ZINC000179732546 329208097 /nfs/dbraw/zinc/20/80/97/329208097.db2.gz ANGCSDHKJATIQU-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181695 327177694 /nfs/dbraw/zinc/17/76/94/327177694.db2.gz COCMTYZNVRRTET-TZMCWYRMSA-N 0 3 287.407 2.167 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377887665 329033406 /nfs/dbraw/zinc/03/34/06/329033406.db2.gz GODMANCTRTYKAO-CYBMUJFWSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000377887665 329033407 /nfs/dbraw/zinc/03/34/07/329033407.db2.gz GODMANCTRTYKAO-CYBMUJFWSA-N 0 3 271.364 2.424 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCn2ccnc2)c1[O-] ZINC000228669554 329059052 /nfs/dbraw/zinc/05/90/52/329059052.db2.gz NZEIIYKITJFVFB-UHFFFAOYSA-N 0 3 281.743 2.041 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCN(C3CC3)CC2)c1[O-] ZINC000179923445 329213600 /nfs/dbraw/zinc/21/36/00/329213600.db2.gz IDYQRQVSZADAMS-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN Cc1cccc(C[N@H+]2CCCN(C3CC3)CC2)c1[O-] ZINC000179923445 329213601 /nfs/dbraw/zinc/21/36/01/329213601.db2.gz IDYQRQVSZADAMS-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN CC1(C)C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000160631319 330870305 /nfs/dbraw/zinc/87/03/05/330870305.db2.gz MXLPMGCHOJBWRZ-LLVKDONJSA-N 0 3 279.336 2.168 20 10 CECDHN Cc1c2ccccc2n(C)c1CNC(=O)/C=C\CN(C)C ZINC000491967584 332377551 /nfs/dbraw/zinc/37/75/51/332377551.db2.gz YEMFCJUYTRPALH-YFHOEESVSA-N 0 3 285.391 2.221 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860982 333124573 /nfs/dbraw/zinc/12/45/73/333124573.db2.gz QIBWTWMWYHNSLH-GDBMZVCRSA-N 0 3 290.407 2.250 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000217860982 333124575 /nfs/dbraw/zinc/12/45/75/333124575.db2.gz QIBWTWMWYHNSLH-GDBMZVCRSA-N 0 3 290.407 2.250 20 10 CECDHN CC(=O)NCC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000219488350 333151158 /nfs/dbraw/zinc/15/11/58/333151158.db2.gz AUDQWVGRXCEPRM-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN CCOc1cccc(C[NH2+]CCOCC2CC2)c1[O-] ZINC000224529930 333222164 /nfs/dbraw/zinc/22/21/64/333222164.db2.gz QUHXQBGOYDUEIQ-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000134496367 334092102 /nfs/dbraw/zinc/09/21/02/334092102.db2.gz WJOLQRCWTJZLBY-JTQLQIEISA-N 0 3 279.336 2.026 20 10 CECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280248352 520481908 /nfs/dbraw/zinc/48/19/08/520481908.db2.gz KYLBLBUOTHDSMK-MRXNPFEDSA-N 0 3 277.364 2.162 20 10 CECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000280248352 520481915 /nfs/dbraw/zinc/48/19/15/520481915.db2.gz KYLBLBUOTHDSMK-MRXNPFEDSA-N 0 3 277.364 2.162 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000292746924 520607796 /nfs/dbraw/zinc/60/77/96/520607796.db2.gz RBWNUIPRCYFPGJ-GFCCVEGCSA-N 0 3 294.395 2.043 20 10 CECDHN CCOc1ccc(O)c(CN(C)C[C@H]2CCCO2)c1 ZINC000128099752 521142310 /nfs/dbraw/zinc/14/23/10/521142310.db2.gz FPQFMMKXQHAHMC-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCC[C@]1(CO)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000290235470 521319243 /nfs/dbraw/zinc/31/92/43/521319243.db2.gz UAFWONBHTZRDPL-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@]1(CO)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000290235470 521319251 /nfs/dbraw/zinc/31/92/51/521319251.db2.gz UAFWONBHTZRDPL-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CC)COC)c1[O-] ZINC000079737116 521371986 /nfs/dbraw/zinc/37/19/86/521371986.db2.gz DSTYKXODQMBQIG-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)c1[O-] ZINC000274965488 521373756 /nfs/dbraw/zinc/37/37/56/521373756.db2.gz VFQNHEVUTMQPNM-INWMFGNUSA-N 0 3 295.379 2.073 20 10 CECDHN CCCN(CC)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000223229342 521608367 /nfs/dbraw/zinc/60/83/67/521608367.db2.gz FFGQBBLKNRTLAF-UHFFFAOYSA-N 0 3 266.385 2.222 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000278547859 521652515 /nfs/dbraw/zinc/65/25/15/521652515.db2.gz VOTBWOIXMMYVPW-VEAWUBTESA-N 0 3 279.380 2.281 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000278547856 521652621 /nfs/dbraw/zinc/65/26/21/521652621.db2.gz VOTBWOIXMMYVPW-FUJMWEONSA-N 0 3 279.380 2.281 20 10 CECDHN CCNC(=O)C1(C[NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000277269140 521733571 /nfs/dbraw/zinc/73/35/71/521733571.db2.gz POJIPDQKHHXOJE-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN CN(C)c1ccc(CNCCN2CC=CCC2)cc1F ZINC000279866775 522206618 /nfs/dbraw/zinc/20/66/18/522206618.db2.gz SYCGOFZBJMHWKU-UHFFFAOYSA-N 0 3 277.387 2.243 20 10 CECDHN CC[C@H]([NH2+]CC(=O)N(C)CC)c1ccc(C)cc1[O-] ZINC000280056281 522563221 /nfs/dbraw/zinc/56/32/21/522563221.db2.gz JZNPSADZLLJUJM-ZDUSSCGKSA-N 0 3 264.369 2.220 20 10 CECDHN CC[C@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280054235 522587322 /nfs/dbraw/zinc/58/73/22/522587322.db2.gz JTEVOWCZMXFXQS-ZDUSSCGKSA-N 0 3 285.409 2.176 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CCCO1 ZINC000278620809 522760298 /nfs/dbraw/zinc/76/02/98/522760298.db2.gz CFVMYACKCUKUTE-XEGUGMAKSA-N 0 3 283.343 2.376 20 10 CECDHN COCCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000044655755 523176819 /nfs/dbraw/zinc/17/68/19/523176819.db2.gz XDSYDXFYXZQLNX-LLVKDONJSA-N 0 3 253.342 2.478 20 10 CECDHN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000275620629 523562910 /nfs/dbraw/zinc/56/29/10/523562910.db2.gz RNYXOYOQMDFRTN-ZFWWWQNUSA-N 0 3 287.363 2.228 20 10 CECDHN COC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292994476 523688313 /nfs/dbraw/zinc/68/83/13/523688313.db2.gz GHBBNBMZZMLALG-OAHLLOKOSA-N 0 3 290.407 2.446 20 10 CECDHN C[NH+](C)C1(CNC(=O)c2cccc(O)c2[O-])CCCCC1 ZINC000279122372 524037043 /nfs/dbraw/zinc/03/70/43/524037043.db2.gz LVZQOCXFYOZKTM-UHFFFAOYSA-N 0 3 292.379 2.092 20 10 CECDHN COc1ccc(CNCC2(C)OCCCO2)cc1C ZINC000277159059 524069606 /nfs/dbraw/zinc/06/96/06/524069606.db2.gz GNTANXWAGPRNAR-UHFFFAOYSA-N 0 3 265.353 2.246 20 10 CECDHN C[C@@H](C(=O)NCc1ccccc1O)N1[C@H](C)CC[C@@H]1C ZINC000263696162 524215090 /nfs/dbraw/zinc/21/50/90/524215090.db2.gz NLOMJAQNUFAERQ-XQQFMLRXSA-N 0 3 276.380 2.270 20 10 CECDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000248333279 524500031 /nfs/dbraw/zinc/50/00/31/524500031.db2.gz FRBRFIUXISJAAR-KGLIPLIRSA-N 0 3 289.423 2.099 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000085962933 524754321 /nfs/dbraw/zinc/75/43/21/524754321.db2.gz HDMYAPKIMRKFPA-RISCZKNCSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2nnc(C)s2)c1 ZINC000289659580 524763775 /nfs/dbraw/zinc/76/37/75/524763775.db2.gz GPWPDCNHWUFARS-SECBINFHSA-N 0 3 293.392 2.454 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290527302 525346336 /nfs/dbraw/zinc/34/63/36/525346336.db2.gz QJKHOFIXOVQCOG-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000290527302 525346340 /nfs/dbraw/zinc/34/63/40/525346340.db2.gz QJKHOFIXOVQCOG-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)C(C)C)c1 ZINC000290193934 525361454 /nfs/dbraw/zinc/36/14/54/525361454.db2.gz GCQONKXTMYKQEI-LBPRGKRZSA-N 0 3 285.409 2.174 20 10 CECDHN COc1cccc(C[N@H+](C)CC2(O)CCCC2)c1[O-] ZINC000093503164 525914954 /nfs/dbraw/zinc/91/49/54/525914954.db2.gz LEVOLUDXJROJRZ-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc(C[N@@H+](C)CC2(O)CCCC2)c1[O-] ZINC000093503164 525914967 /nfs/dbraw/zinc/91/49/67/525914967.db2.gz LEVOLUDXJROJRZ-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c([O-])c1 ZINC000278511777 525916737 /nfs/dbraw/zinc/91/67/37/525916737.db2.gz RMOWYERFHSWBNB-AWEZNQCLSA-N 0 3 290.407 2.216 20 10 CECDHN Cc1ccc([C@H](C)NCC(=O)NCC(F)F)c(O)c1C ZINC000280427598 525917245 /nfs/dbraw/zinc/91/72/45/525917245.db2.gz BOJHVLDBPJKCGK-JTQLQIEISA-N 0 3 286.322 2.041 20 10 CECDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc(C)ccc2[O-])o1 ZINC000265985895 525976850 /nfs/dbraw/zinc/97/68/50/525976850.db2.gz NFWJROHFYCBVLC-CQSZACIVSA-N 0 3 261.321 2.425 20 10 CECDHN COc1cccc(CN[C@@H]2CCCc3c2cnn3C)c1O ZINC000037087340 526033950 /nfs/dbraw/zinc/03/39/50/526033950.db2.gz IIBPTDIZNUFOGV-CYBMUJFWSA-N 0 3 287.363 2.302 20 10 CECDHN COc1cccc(CN[C@H]2CCCc3c2cnn3C)c1O ZINC000037087341 526039914 /nfs/dbraw/zinc/03/99/14/526039914.db2.gz IIBPTDIZNUFOGV-ZDUSSCGKSA-N 0 3 287.363 2.302 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000289764701 526348188 /nfs/dbraw/zinc/34/81/88/526348188.db2.gz KEPHMJALRATBGV-HNNXBMFYSA-N 0 3 275.323 2.225 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000290270831 526351894 /nfs/dbraw/zinc/35/18/94/526351894.db2.gz XVULRCQUPRLMSQ-CZUORRHYSA-N 0 3 289.306 2.116 20 10 CECDHN CCCN(C)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000730098470 574501570 /nfs/dbraw/zinc/50/15/70/574501570.db2.gz HANRZDUSFYPANS-UHFFFAOYSA-N 0 3 291.439 2.443 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000760884211 574518140 /nfs/dbraw/zinc/51/81/40/574518140.db2.gz FIXNYMICFTWSDV-OSAQELSMSA-N 0 3 265.353 2.237 20 10 CECDHN CO[C@@H](CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000733328862 574664441 /nfs/dbraw/zinc/66/44/41/574664441.db2.gz FVOSEVUCIRKQES-LBPRGKRZSA-N 0 3 276.302 2.420 20 10 CECDHN CCN(CC)c1ccc(CNC[C@](C)(O)COC)cc1F ZINC000740007027 574938765 /nfs/dbraw/zinc/93/87/65/574938765.db2.gz RFQMMBVLJSLFTI-INIZCTEOSA-N 0 3 298.402 2.159 20 10 CECDHN CN(C)Cc1cccc(C(=O)NCc2ccccc2O)c1 ZINC000741277609 574980618 /nfs/dbraw/zinc/98/06/18/574980618.db2.gz IDKGCEQLGNUAAK-UHFFFAOYSA-N 0 3 284.359 2.384 20 10 CECDHN COCCOC[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000742377402 575018700 /nfs/dbraw/zinc/01/87/00/575018700.db2.gz UFBFXZMCGALWNV-LBPRGKRZSA-N 0 3 284.375 2.033 20 10 CECDHN COC(C)(C)CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000742380127 575018752 /nfs/dbraw/zinc/01/87/52/575018752.db2.gz INVMVOZEOPZRTN-UHFFFAOYSA-N 0 3 296.386 2.177 20 10 CECDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743536494 575106050 /nfs/dbraw/zinc/10/60/50/575106050.db2.gz KYBVIOOJAJVIST-VHSXEESVSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743536494 575106051 /nfs/dbraw/zinc/10/60/51/575106051.db2.gz KYBVIOOJAJVIST-VHSXEESVSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CCN1C ZINC000743536494 575106052 /nfs/dbraw/zinc/10/60/52/575106052.db2.gz KYBVIOOJAJVIST-VHSXEESVSA-N 0 3 268.382 2.008 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](OC)C(C)C ZINC000744448896 575121517 /nfs/dbraw/zinc/12/15/17/575121517.db2.gz NYTCPWJIMSSWER-CQSZACIVSA-N 0 3 253.342 2.161 20 10 CECDHN CCOc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)c([O-])c1 ZINC000744450041 575121700 /nfs/dbraw/zinc/12/17/00/575121700.db2.gz JPICRHACBLDCMR-CYBMUJFWSA-N 0 3 278.396 2.222 20 10 CECDHN O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1c([O-])ccc2ccccc21 ZINC000748263585 575181592 /nfs/dbraw/zinc/18/15/92/575181592.db2.gz WJEWXRCLDAYHNS-KGLIPLIRSA-N 0 3 296.370 2.398 20 10 CECDHN O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1c([O-])ccc2ccccc21 ZINC000748263585 575181593 /nfs/dbraw/zinc/18/15/93/575181593.db2.gz WJEWXRCLDAYHNS-KGLIPLIRSA-N 0 3 296.370 2.398 20 10 CECDHN C[NH+](C)C[C@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000748374365 575185115 /nfs/dbraw/zinc/18/51/15/575185115.db2.gz YRDGZGKNLXMYSR-SNVBAGLBSA-N 0 3 268.382 2.010 20 10 CECDHN CN(C)C[C@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000748374365 575185116 /nfs/dbraw/zinc/18/51/16/575185116.db2.gz YRDGZGKNLXMYSR-SNVBAGLBSA-N 0 3 268.382 2.010 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(O)cc1 ZINC000725848632 625816115 /nfs/dbraw/zinc/81/61/15/625816115.db2.gz ZUVNKQCZQIYRNT-UHFFFAOYSA-N 0 3 273.332 2.439 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCOC(C)(C)C ZINC000725850206 625943592 /nfs/dbraw/zinc/94/35/92/625943592.db2.gz QPRNPBLTBKBTMG-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000311210129 627391049 /nfs/dbraw/zinc/39/10/49/627391049.db2.gz KZKNJEBSCHJXAB-GXFFZTMASA-N 0 3 266.772 2.229 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])c(O)c1OC ZINC000892793112 627776182 /nfs/dbraw/zinc/77/61/82/627776182.db2.gz WKRDUPACGBUBCR-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(C)C ZINC000840967050 628935937 /nfs/dbraw/zinc/93/59/37/628935937.db2.gz CSMABXLGPBWROL-JSGCOSHPSA-N 0 3 255.333 2.416 20 10 CECDHN COc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1OC ZINC000893900778 629034433 /nfs/dbraw/zinc/03/44/33/629034433.db2.gz APHMGACXIBPDSW-JOCQHMNTSA-N 0 3 295.379 2.145 20 10 CECDHN COc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1OC ZINC000893900778 629034434 /nfs/dbraw/zinc/03/44/34/629034434.db2.gz APHMGACXIBPDSW-JOCQHMNTSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cccc(CNCc2cn(C)nc2C2CC2)c1O ZINC000894457814 629471251 /nfs/dbraw/zinc/47/12/51/629471251.db2.gz IHDZFZIDCNNQCB-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](C)c2n[nH]c(C)n2)c1 ZINC000894771418 629627319 /nfs/dbraw/zinc/62/73/19/629627319.db2.gz IJSZORDIGSPGQF-VIFPVBQESA-N 0 3 276.340 2.068 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(C)cc1[O-] ZINC000800498476 631131492 /nfs/dbraw/zinc/13/14/92/631131492.db2.gz LCIVVKOZGWIATI-AAEUAGOBSA-N 0 3 282.359 2.216 20 10 CECDHN CCCN(Cc1ccccc1O)C[C@H](C)CS(C)(=O)=O ZINC000163378883 631343908 /nfs/dbraw/zinc/34/39/08/631343908.db2.gz MILMJWOJTGHMSR-ZDUSSCGKSA-N 0 3 299.436 2.285 20 10 CECDHN CSCC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)C ZINC000806661799 631763059 /nfs/dbraw/zinc/76/30/59/631763059.db2.gz FANUZANKVRTOGF-AAEUAGOBSA-N 0 3 296.436 2.253 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CNC1CC[NH2+]CC1 ZINC000841031279 631816844 /nfs/dbraw/zinc/81/68/44/631816844.db2.gz ZUKKHSCSJUQBDA-UHFFFAOYSA-N 0 3 258.724 2.026 20 10 CECDHN COC(=O)c1cc(CN(C)Cc2ccccc2O)cn1C ZINC000809548411 632097919 /nfs/dbraw/zinc/09/79/19/632097919.db2.gz CKAYSXPYAYNHHJ-UHFFFAOYSA-N 0 3 288.347 2.149 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)C2CCCC2)c([O-])c1 ZINC000810178601 632191851 /nfs/dbraw/zinc/19/18/51/632191851.db2.gz SINUFJPDSCWKSM-HNNXBMFYSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1ccc(C)cc1[O-] ZINC000927125573 632473067 /nfs/dbraw/zinc/47/30/67/632473067.db2.gz AEFLQSGFOYWOGQ-CZUORRHYSA-N 0 3 289.379 2.208 20 10 CECDHN C[C@H]1C[C@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2[O-] ZINC000813879003 632751594 /nfs/dbraw/zinc/75/15/94/632751594.db2.gz IFVXTIBXSOJOOD-CABZTGNLSA-N 0 3 281.327 2.085 20 10 CECDHN CC[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)CCO1 ZINC000817415394 633655003 /nfs/dbraw/zinc/65/50/03/633655003.db2.gz RZPSGRJTMFGDDQ-RYUDHWBXSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817944640 633792659 /nfs/dbraw/zinc/79/26/59/633792659.db2.gz ITGPZNDRANZWLK-PWSUYJOCSA-N 0 3 254.761 2.448 20 10 CECDHN C[C@@H]([NH3+])CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973456 633816633 /nfs/dbraw/zinc/81/66/33/633816633.db2.gz UCMPBEUIHOOPHI-RQJHMYQMSA-N 0 3 291.164 2.292 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(C)cc1[O-] ZINC000903226531 635014617 /nfs/dbraw/zinc/01/46/17/635014617.db2.gz GZGBOTCGRCJFLL-MRXNPFEDSA-N 0 3 292.423 2.464 20 10 CECDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N(CC)CC)cc1 ZINC000825196980 635589522 /nfs/dbraw/zinc/58/95/22/635589522.db2.gz RTAYOAICXFNDCD-IAGOWNOFSA-N 0 3 292.423 2.426 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](O)C2CCC2)c([O-])c1 ZINC000825239986 635597510 /nfs/dbraw/zinc/59/75/10/635597510.db2.gz FGGFFJRABZTLTP-HNNXBMFYSA-N 0 3 265.353 2.042 20 10 CECDHN N[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000827007734 636187512 /nfs/dbraw/zinc/18/75/12/636187512.db2.gz AIDCXKYITMHEBK-MRXNPFEDSA-N 0 3 287.407 2.030 20 10 CECDHN CN(C)c1ccc([C@H](CNC(=O)OCCF)N(C)C)cc1 ZINC000908460697 637351999 /nfs/dbraw/zinc/35/19/99/637351999.db2.gz XVFMZXBNIFPHAQ-AWEZNQCLSA-N 0 3 297.374 2.051 20 10 CECDHN CC(=O)N(C)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876646861 650373496 /nfs/dbraw/zinc/37/34/96/650373496.db2.gz YMZLHFVBFFKVQF-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000834773553 637947372 /nfs/dbraw/zinc/94/73/72/637947372.db2.gz GUVVNMXSTVWCBF-STQMWFEESA-N 0 3 269.348 2.181 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(C)cc1[O-] ZINC000834898662 637981152 /nfs/dbraw/zinc/98/11/52/637981152.db2.gz ATVNGDOAAKENNX-YPMHNXCESA-N 0 3 264.369 2.266 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000840825806 639553353 /nfs/dbraw/zinc/55/33/53/639553353.db2.gz MOTWYCXWAWUPDL-JSGCOSHPSA-N 0 3 276.380 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)c1ccccc1 ZINC000226608729 639556045 /nfs/dbraw/zinc/55/60/45/639556045.db2.gz ILSBBFJTYODUHU-CQSZACIVSA-N 0 3 261.296 2.355 20 10 CECDHN Cc1ccc(C[NH2+]CCCCn2ccnc2)c([O-])c1 ZINC000876958445 650506172 /nfs/dbraw/zinc/50/61/72/650506172.db2.gz DDXDOMQGHJIRQS-UHFFFAOYSA-N 0 3 259.353 2.467 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCNCc1cccnc1 ZINC000841041958 639629782 /nfs/dbraw/zinc/62/97/82/639629782.db2.gz KIJIMWSTHSTORZ-UHFFFAOYSA-N 0 3 289.354 2.196 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1 ZINC000841062836 639638213 /nfs/dbraw/zinc/63/82/13/639638213.db2.gz YHLORBPXJAURFS-KCJUWKMLSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062836 639638216 /nfs/dbraw/zinc/63/82/16/639638216.db2.gz YHLORBPXJAURFS-KCJUWKMLSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065227 639640481 /nfs/dbraw/zinc/64/04/81/639640481.db2.gz ZFOQCLZYMSMPLK-BXKDBHETSA-N 0 3 254.761 2.133 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1ccccc1[O-] ZINC000841765336 639861297 /nfs/dbraw/zinc/86/12/97/639861297.db2.gz PPCSOUJHDPBDCQ-MNOVXSKESA-N 0 3 270.323 2.382 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000083445578 639912117 /nfs/dbraw/zinc/91/21/17/639912117.db2.gz ILSBBFJTYODUHU-AWEZNQCLSA-N 0 3 261.296 2.355 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCS[C@@H]1C ZINC000842779914 640180472 /nfs/dbraw/zinc/18/04/72/640180472.db2.gz SUPGQCLCSWXSHT-KOLCDFICSA-N 0 3 253.367 2.384 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843353955 640400268 /nfs/dbraw/zinc/40/02/68/640400268.db2.gz RUQGEWPQYLFFLR-ZYHUDNBSSA-N 0 3 294.370 2.293 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000877120802 650581399 /nfs/dbraw/zinc/58/13/99/650581399.db2.gz IVDNZIATCANTMX-CQSZACIVSA-N 0 3 283.375 2.464 20 10 CECDHN Cc1ccc(C[NH2+]CCC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000877119846 650581692 /nfs/dbraw/zinc/58/16/92/650581692.db2.gz AZYSTKINZYYUDU-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000877121242 650581736 /nfs/dbraw/zinc/58/17/36/650581736.db2.gz MEBYVCMLNSCXGH-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000877132960 650588148 /nfs/dbraw/zinc/58/81/48/650588148.db2.gz SBUOCHRJQMMWKE-XJKSGUPXSA-N 0 3 277.364 2.128 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c([O-])c1 ZINC000877133451 650589076 /nfs/dbraw/zinc/58/90/76/650589076.db2.gz BIZLSRHBWVUQNP-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN COc1ccc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846112851 641187397 /nfs/dbraw/zinc/18/73/97/641187397.db2.gz TVPNERYWZNWJQG-PHIMTYICSA-N 0 3 255.264 2.098 20 10 CECDHN COc1cccc([C@@H](C)NCC(=O)NC2CCCC2)c1O ZINC000846150267 641202876 /nfs/dbraw/zinc/20/28/76/641202876.db2.gz COXFQHXPYCZPTG-LLVKDONJSA-N 0 3 292.379 2.110 20 10 CECDHN Cc1ccccc1C[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000188930874 641399434 /nfs/dbraw/zinc/39/94/34/641399434.db2.gz BKOHSBCTBKJUOB-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185330461 641966181 /nfs/dbraw/zinc/96/61/81/641966181.db2.gz ATHOBWJJPVMVBB-GXTWGEPZSA-N 0 3 296.386 2.293 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000877504065 650754529 /nfs/dbraw/zinc/75/45/29/650754529.db2.gz FSGCJKRMOYJPRT-CYBMUJFWSA-N 0 3 298.390 2.452 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000877504065 650754531 /nfs/dbraw/zinc/75/45/31/650754531.db2.gz FSGCJKRMOYJPRT-CYBMUJFWSA-N 0 3 298.390 2.452 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000850341139 642672070 /nfs/dbraw/zinc/67/20/70/642672070.db2.gz AEBWTCWDICUZJG-JTQLQIEISA-N 0 3 251.326 2.058 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCOC1 ZINC000850484290 642728961 /nfs/dbraw/zinc/72/89/61/642728961.db2.gz GKEYJPUYBQXPCU-TYNCELHUSA-N 0 3 265.353 2.094 20 10 CECDHN Cc1ccc(C[NH2+]CC[S@@](=O)CC(F)(F)F)c([O-])c1 ZINC000877622450 650817754 /nfs/dbraw/zinc/81/77/54/650817754.db2.gz NPXASMZZWXCXRK-LJQANCHMSA-N 0 3 295.326 2.101 20 10 CECDHN CC[C@@](C)(C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000824744077 643789715 /nfs/dbraw/zinc/78/97/15/643789715.db2.gz ZARHMKNLVZJEAY-AWEZNQCLSA-N 0 3 253.342 2.306 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877729781 650876028 /nfs/dbraw/zinc/87/60/28/650876028.db2.gz ZSTQSSHCZZDEME-AWEZNQCLSA-N 0 3 295.354 2.207 20 10 CECDHN C[C@H](NCc1cc2c(cn1)OCCO2)c1ccccc1O ZINC000877757958 650900081 /nfs/dbraw/zinc/90/00/81/650900081.db2.gz AQMYGQUXRCPCIQ-NSHDSACASA-N 0 3 286.331 2.409 20 10 CECDHN CNC(=O)CCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756483581 644653062 /nfs/dbraw/zinc/65/30/62/644653062.db2.gz PADHCWHQIXVZLS-KOLCDFICSA-N 0 3 280.343 2.195 20 10 CECDHN C[C@@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756765063 644690651 /nfs/dbraw/zinc/69/06/51/644690651.db2.gz NHYWLOHTPRVLCN-FXPVBKGRSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2[O-] ZINC000757630975 644827842 /nfs/dbraw/zinc/82/78/42/644827842.db2.gz AZUVSIXVRSFAPJ-SKDRFNHKSA-N 0 3 292.354 2.195 20 10 CECDHN C[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccccc1[O-] ZINC000763558442 645557444 /nfs/dbraw/zinc/55/74/44/645557444.db2.gz PNICNWADXJXHPG-DOMZBBRYSA-N 0 3 279.380 2.220 20 10 CECDHN C[C@@H](CC(N)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765791432 645811065 /nfs/dbraw/zinc/81/10/65/645811065.db2.gz RIXGLCICHNIFLC-LBPRGKRZSA-N 0 3 284.359 2.413 20 10 CECDHN CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444401 646123672 /nfs/dbraw/zinc/12/36/72/646123672.db2.gz AUOSGEKOHYULEF-IINYFYTJSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444401 646123675 /nfs/dbraw/zinc/12/36/75/646123675.db2.gz AUOSGEKOHYULEF-IINYFYTJSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444404 646123926 /nfs/dbraw/zinc/12/39/26/646123926.db2.gz AUOSGEKOHYULEF-YGRLFVJLSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444404 646123930 /nfs/dbraw/zinc/12/39/30/646123930.db2.gz AUOSGEKOHYULEF-YGRLFVJLSA-N 0 3 265.353 2.296 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(C(F)F)CC1)[C@H](O)CO2 ZINC000768463368 646126965 /nfs/dbraw/zinc/12/69/65/646126965.db2.gz SCRAZICBDFAELP-CYBMUJFWSA-N 0 3 299.317 2.295 20 10 CECDHN C[NH+]1CCC2(CCCN2C(=O)c2cc([O-])cs2)CC1 ZINC000768840070 646171936 /nfs/dbraw/zinc/17/19/36/646171936.db2.gz IAODFRHJURKYOF-UHFFFAOYSA-N 0 3 280.393 2.154 20 10 CECDHN CN1CCC2(CCCN2C(=O)C2=CC(=O)CS2)CC1 ZINC000768840070 646171939 /nfs/dbraw/zinc/17/19/39/646171939.db2.gz IAODFRHJURKYOF-UHFFFAOYSA-N 0 3 280.393 2.154 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](CCO)C2)cc1F ZINC000769332371 646246860 /nfs/dbraw/zinc/24/68/60/646246860.db2.gz AXQHQUCGVFNLNN-ZDUSSCGKSA-N 0 3 280.387 2.486 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](CCO)C2)cc1F ZINC000769332370 646247238 /nfs/dbraw/zinc/24/72/38/646247238.db2.gz AXQHQUCGVFNLNN-CYBMUJFWSA-N 0 3 280.387 2.486 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769517200 646281592 /nfs/dbraw/zinc/28/15/92/646281592.db2.gz ZXLJKGMAUNJUFW-OLZOCXBDSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769517200 646281594 /nfs/dbraw/zinc/28/15/94/646281594.db2.gz ZXLJKGMAUNJUFW-OLZOCXBDSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000770291262 646377382 /nfs/dbraw/zinc/37/73/82/646377382.db2.gz FRMVLVNITDECOV-SWLSCSKDSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000770291262 646377384 /nfs/dbraw/zinc/37/73/84/646377384.db2.gz FRMVLVNITDECOV-SWLSCSKDSA-N 0 3 279.380 2.384 20 10 CECDHN CC(C)CC[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862480254 646474739 /nfs/dbraw/zinc/47/47/39/646474739.db2.gz ARVWWZIOMPLQKY-ZDUSSCGKSA-N 0 3 255.333 2.418 20 10 CECDHN CC[C@H]([NH2+]CC1(N)CCOCC1)c1ccc(F)cc1[O-] ZINC000863542159 646751930 /nfs/dbraw/zinc/75/19/30/646751930.db2.gz SHYTVBWLAIXUOK-ZDUSSCGKSA-N 0 3 282.359 2.080 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000775159660 646927540 /nfs/dbraw/zinc/92/75/40/646927540.db2.gz RTFPHMDQNNBLCG-OAHLLOKOSA-N 0 3 279.286 2.494 20 10 CECDHN C[C@H](NCc1cnc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000775365129 646946435 /nfs/dbraw/zinc/94/64/35/646946435.db2.gz UIQRWARZZMNBDR-ZDUSSCGKSA-N 0 3 299.422 2.459 20 10 CECDHN CC[C@@H](C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000775409314 646951739 /nfs/dbraw/zinc/95/17/39/646951739.db2.gz DTXJWVIOCZPCNS-WFASDCNBSA-N 0 3 277.412 2.270 20 10 CECDHN COc1ccc(O)c(CN2CCCC[C@@H]2C2OCCO2)c1 ZINC000775674664 646979460 /nfs/dbraw/zinc/97/94/60/646979460.db2.gz IEVFWXNMUAYACW-CQSZACIVSA-N 0 3 293.363 2.128 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2CCC(C(N)=O)CC2)c1[O-] ZINC000776175435 647032534 /nfs/dbraw/zinc/03/25/34/647032534.db2.gz LGXIZZCILNLKFL-UHFFFAOYSA-N 0 3 296.798 2.488 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CCN2CCC2)c1[O-] ZINC000776253874 647042507 /nfs/dbraw/zinc/04/25/07/647042507.db2.gz WGEKVRITIWQUHE-UHFFFAOYSA-N 0 3 299.212 2.258 20 10 CECDHN C[C@H]([NH2+]CCCNc1ncccn1)c1ccccc1[O-] ZINC000783519491 647723695 /nfs/dbraw/zinc/72/36/95/647723695.db2.gz LUCPDNMBDJBQKA-LBPRGKRZSA-N 0 3 272.352 2.335 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCCCO)c2c1c(F)ccc2[O-] ZINC000786939685 648058334 /nfs/dbraw/zinc/05/83/34/648058334.db2.gz DZEFLXKQHLYTJX-ONGXEEELSA-N 0 3 253.317 2.442 20 10 CECDHN COc1ccc(O)c(CNCc2ccnn2C(C)C)c1 ZINC000792981988 648694850 /nfs/dbraw/zinc/69/48/50/648694850.db2.gz KKFJPZQCOXUQTB-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000840826255 648776549 /nfs/dbraw/zinc/77/65/49/648776549.db2.gz JACBOJSUWBZUGS-NFAWXSAZSA-N 0 3 265.353 2.155 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@H](C(C)=O)C2)cc1OC ZINC000872800859 649492885 /nfs/dbraw/zinc/49/28/85/649492885.db2.gz GRVZUJBZMCNIFN-GFCCVEGCSA-N 0 3 293.363 2.210 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@]3(C)C2)c(Cl)c1 ZINC000873228369 649599317 /nfs/dbraw/zinc/59/93/17/649599317.db2.gz DIAHXFWXQJXJMX-XHDPSFHLSA-N 0 3 280.799 2.395 20 10 CECDHN C[C@@H](NCC(=O)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000878455003 651100876 /nfs/dbraw/zinc/10/08/76/651100876.db2.gz MPMBPACQJMVBLQ-CYBMUJFWSA-N 0 3 298.390 2.437 20 10 CECDHN CC(C)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879648182 651335061 /nfs/dbraw/zinc/33/50/61/651335061.db2.gz BZFTVGORSKVCRC-OCCSQVGLSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)c1ccccn1)c1ccccc1[O-] ZINC000879649774 651335205 /nfs/dbraw/zinc/33/52/05/651335205.db2.gz GTLCKECKKZMDSG-NHYWBVRUSA-N 0 3 258.321 2.171 20 10 CECDHN Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648975 651335277 /nfs/dbraw/zinc/33/52/77/651335277.db2.gz IDGGDLPOZCQKJB-SECBINFHSA-N 0 3 288.351 2.021 20 10 CECDHN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649032 651335466 /nfs/dbraw/zinc/33/54/66/651335466.db2.gz JURGEQLKMRCNIW-IJLUTSLNSA-N 0 3 264.369 2.346 20 10 CECDHN C[C@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccccc1[O-] ZINC000879651275 651335714 /nfs/dbraw/zinc/33/57/14/651335714.db2.gz PTDRFRAHGXQNJA-VIFPVBQESA-N 0 3 290.285 2.064 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[O-] ZINC000879650912 651335865 /nfs/dbraw/zinc/33/58/65/651335865.db2.gz WLEWJUVRPTZGFJ-WDEREUQCSA-N 0 3 261.321 2.139 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000133964817 652751459 /nfs/dbraw/zinc/75/14/59/652751459.db2.gz CMCCUNZCMHRFMW-CQSZACIVSA-N 0 3 277.364 2.210 20 10 CECDHN COc1ccc(N2CCN(C[C@H]3C[C@H]3C)CC2)c(OC)c1 ZINC001209426380 802522604 /nfs/dbraw/zinc/52/26/04/802522604.db2.gz KEYIWQIRUAWVFF-ZIAGYGMSSA-N 0 3 290.407 2.482 20 10 CECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)CS(C)(=O)=O ZINC000723878842 802960593 /nfs/dbraw/zinc/96/05/93/802960593.db2.gz OQTZWMASHCJPTK-LBPRGKRZSA-N 0 3 297.420 2.040 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000722344737 804328353 /nfs/dbraw/zinc/32/83/53/804328353.db2.gz CXZBUSSCMZOZGW-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccccc1[O-] ZINC000722362084 804383659 /nfs/dbraw/zinc/38/36/59/804383659.db2.gz XCWNRRRNTFHBIH-KGLIPLIRSA-N 0 3 276.380 2.444 20 10 CECDHN CN(CCOC(C)(C)C)Cc1cc2c(cc1O)OCO2 ZINC000689894029 807016809 /nfs/dbraw/zinc/01/68/09/807016809.db2.gz HVPCMSJPXZQFMZ-UHFFFAOYSA-N 0 3 281.352 2.368 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CO[C@@H](C)C2)c1[O-] ZINC000402008571 804641867 /nfs/dbraw/zinc/64/18/67/804641867.db2.gz RIYOXBRVZOEFBJ-GZMMTYOYSA-N 0 3 271.744 2.321 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1[O-] ZINC000402008575 804642204 /nfs/dbraw/zinc/64/22/04/804642204.db2.gz RIYOXBRVZOEFBJ-KWQFWETISA-N 0 3 271.744 2.321 20 10 CECDHN CN(Cc1n[nH]c2c1CCC2)Cc1ccccc1O ZINC001232431009 807258835 /nfs/dbraw/zinc/25/88/35/807258835.db2.gz GWYWASDKFLQHEK-UHFFFAOYSA-N 0 3 257.337 2.236 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]Cc2ccc[nH]c2=O)c1[O-] ZINC000714997582 807461438 /nfs/dbraw/zinc/46/14/38/807461438.db2.gz VMRVUQFFZPTYCX-UHFFFAOYSA-N 0 3 294.738 2.445 20 10 CECDHN COc1cc(Cl)cc(CNCc2ccc[nH]c2=O)c1O ZINC000714997582 807461441 /nfs/dbraw/zinc/46/14/41/807461441.db2.gz VMRVUQFFZPTYCX-UHFFFAOYSA-N 0 3 294.738 2.445 20 10 CECDHN CN(C)c1ccc(CNCc2c3c(nn2C)CCC3)cc1 ZINC000921495618 808059887 /nfs/dbraw/zinc/05/98/87/808059887.db2.gz FMCVRYHOTZZWSY-UHFFFAOYSA-N 0 3 284.407 2.265 20 10 CECDHN CCc1ccc(CN2CCNC[C@@H]2C(F)(F)F)c(O)c1 ZINC001236984321 808186992 /nfs/dbraw/zinc/18/69/92/808186992.db2.gz YEQZIDGVRLDSPK-CYBMUJFWSA-N 0 3 288.313 2.291 20 10 CECDHN c1cc2c(cc1CN[C@@H]1CCCC13OCCO3)CCCO2 ZINC000922256884 809088663 /nfs/dbraw/zinc/08/86/63/809088663.db2.gz BJPNNBGFPCMMGF-MRXNPFEDSA-N 0 3 289.375 2.397 20 10 CECDHN CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC001172027361 815272202 /nfs/dbraw/zinc/27/22/02/815272202.db2.gz VLDNXDVTZVUWNC-VXGBXAGGSA-N 0 3 262.353 2.054 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000381332405 810329763 /nfs/dbraw/zinc/32/97/63/810329763.db2.gz BTZNKBSPVGNBTI-GWCFXTLKSA-N 0 3 266.772 2.229 20 10 CECDHN CN1CCC=C(c2ccn(CC(F)(F)F)c(=O)c2)C1 ZINC001241572182 811117660 /nfs/dbraw/zinc/11/76/60/811117660.db2.gz SHVFIAOQPBZYHM-UHFFFAOYSA-N 0 3 272.270 2.130 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035533 811345674 /nfs/dbraw/zinc/34/56/74/811345674.db2.gz BXXPYKBOIQOBCX-WCQYABFASA-N 0 3 264.325 2.269 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035533 811345686 /nfs/dbraw/zinc/34/56/86/811345686.db2.gz BXXPYKBOIQOBCX-WCQYABFASA-N 0 3 264.325 2.269 20 10 CECDHN COC(=O)[C@@H]1CCC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624562 815485922 /nfs/dbraw/zinc/48/59/22/815485922.db2.gz SFWICYQNUZFTLY-KGLIPLIRSA-N 0 3 289.375 2.482 20 10 CECDHN COC(=O)[C@@H]1CCC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624562 815485926 /nfs/dbraw/zinc/48/59/26/815485926.db2.gz SFWICYQNUZFTLY-KGLIPLIRSA-N 0 3 289.375 2.482 20 10 CECDHN COc1cccc(CNCc2cccc(O)c2)c1O ZINC000383953940 813109455 /nfs/dbraw/zinc/10/94/55/813109455.db2.gz NUKIIZFJQOIKTM-UHFFFAOYSA-N 0 3 259.305 2.396 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000391464457 813285340 /nfs/dbraw/zinc/28/53/40/813285340.db2.gz BMYHGXNTUHXPSM-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN CC(C)(O)C(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000393583071 813316971 /nfs/dbraw/zinc/31/69/71/813316971.db2.gz LIIQEFFXDDRMSX-UHFFFAOYSA-N 0 3 281.352 2.008 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2c(C)cnn2C)c1 ZINC000394076536 813335420 /nfs/dbraw/zinc/33/54/20/813335420.db2.gz BUOMVHDCSOQMDD-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN CCN1CC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000712541343 814764605 /nfs/dbraw/zinc/76/46/05/814764605.db2.gz DPKFGAYMTDJWEP-ZYHUDNBSSA-N 0 3 252.333 2.276 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c([O-])c1 ZINC000714353665 814897392 /nfs/dbraw/zinc/89/73/92/814897392.db2.gz ZOCXKACUGWGOKB-QWHCGFSZSA-N 0 3 297.420 2.319 20 10 CECDHN CC[N@H+](CCCN(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139688089 816082921 /nfs/dbraw/zinc/08/29/21/816082921.db2.gz ZEEKBRWLYCQFFK-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN CC[N@@H+](CCCN(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139688089 816082925 /nfs/dbraw/zinc/08/29/25/816082925.db2.gz ZEEKBRWLYCQFFK-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001140059944 816180614 /nfs/dbraw/zinc/18/06/14/816180614.db2.gz BTXRYEDWNFZRCG-CYBMUJFWSA-N 0 3 281.327 2.259 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC2(C1)OCCO2 ZINC001140059944 816180616 /nfs/dbraw/zinc/18/06/16/816180616.db2.gz BTXRYEDWNFZRCG-CYBMUJFWSA-N 0 3 281.327 2.259 20 10 CECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058954 816180825 /nfs/dbraw/zinc/18/08/25/816180825.db2.gz QSUZFNLWYSOAHQ-WDMOLILDSA-N 0 3 293.338 2.305 20 10 CECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058954 816180830 /nfs/dbraw/zinc/18/08/30/816180830.db2.gz QSUZFNLWYSOAHQ-WDMOLILDSA-N 0 3 293.338 2.305 20 10 CECDHN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140057617 816181416 /nfs/dbraw/zinc/18/14/16/816181416.db2.gz HZVIUZXFDOTWDL-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140057617 816181423 /nfs/dbraw/zinc/18/14/23/816181423.db2.gz HZVIUZXFDOTWDL-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(O)c(CN2CC(N3CCCCC3)C2)c1 ZINC001140623558 816306456 /nfs/dbraw/zinc/30/64/56/816306456.db2.gz VBNPPKJYKADQOS-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@H](CO)C2)c(Cl)c1 ZINC001140923843 816410822 /nfs/dbraw/zinc/41/08/22/816410822.db2.gz JCCNGKGELLWNCC-LLVKDONJSA-N 0 3 268.788 2.220 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](C(N)=O)C2)c(Cl)c1 ZINC001140921581 816411004 /nfs/dbraw/zinc/41/10/04/816411004.db2.gz IRHOBKCGVIUZRC-LBPRGKRZSA-N 0 3 295.814 2.103 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@](O)(CF)CC2)c([O-])c1 ZINC001140948091 816421877 /nfs/dbraw/zinc/42/18/77/816421877.db2.gz SGQCWRMJXSQPSR-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@](O)(CF)CC2)c([O-])c1 ZINC001140948091 816421881 /nfs/dbraw/zinc/42/18/81/816421881.db2.gz SGQCWRMJXSQPSR-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN COc1cc(O)c(CN(C)C[C@@H]2CCCCO2)c(OC)c1 ZINC001141028100 816449216 /nfs/dbraw/zinc/44/92/16/816449216.db2.gz BHSCQTKHRBEZEN-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc(O)c(CN(C)CCSC)c(OC)c1 ZINC001141030545 816451642 /nfs/dbraw/zinc/45/16/42/816451642.db2.gz AVBYXJIHJCNJMO-UHFFFAOYSA-N 0 3 271.382 2.204 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CCSC)c(OC)c1 ZINC001141030545 816451646 /nfs/dbraw/zinc/45/16/46/816451646.db2.gz AVBYXJIHJCNJMO-UHFFFAOYSA-N 0 3 271.382 2.204 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CCSC)c(OC)c1 ZINC001141030545 816451649 /nfs/dbraw/zinc/45/16/49/816451649.db2.gz AVBYXJIHJCNJMO-UHFFFAOYSA-N 0 3 271.382 2.204 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC2CCOCC2)c(OC)c1 ZINC001141032243 816452231 /nfs/dbraw/zinc/45/22/31/816452231.db2.gz XBASLTGQSULARB-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC2CCOCC2)c(OC)c1 ZINC001141032243 816452236 /nfs/dbraw/zinc/45/22/36/816452236.db2.gz XBASLTGQSULARB-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001141032114 816452913 /nfs/dbraw/zinc/45/29/13/816452913.db2.gz SYIXUEONFDDZCH-JTQLQIEISA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)c(OC)c1 ZINC001141032114 816452920 /nfs/dbraw/zinc/45/29/20/816452920.db2.gz SYIXUEONFDDZCH-JTQLQIEISA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032396 816452947 /nfs/dbraw/zinc/45/29/47/816452947.db2.gz ANCNBGSBOKHKMZ-NEPJUHHUSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032396 816452950 /nfs/dbraw/zinc/45/29/50/816452950.db2.gz ANCNBGSBOKHKMZ-NEPJUHHUSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(OC)c1 ZINC001141032316 816452989 /nfs/dbraw/zinc/45/29/89/816452989.db2.gz XYSZINKVQTVDMG-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(OC)c1 ZINC001141032316 816452993 /nfs/dbraw/zinc/45/29/93/816452993.db2.gz XYSZINKVQTVDMG-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN CN1CCOc2cc(CN3CC4(C3)CCOCC4)ccc21 ZINC001141143244 816485355 /nfs/dbraw/zinc/48/53/55/816485355.db2.gz QOYCEXCUKHHSIG-UHFFFAOYSA-N 0 3 288.391 2.128 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530650 816680540 /nfs/dbraw/zinc/68/05/40/816680540.db2.gz IYKKGBLMWJBRSG-QMTHXVAHSA-N 0 3 282.334 2.196 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142530650 816680546 /nfs/dbraw/zinc/68/05/46/816680546.db2.gz IYKKGBLMWJBRSG-QMTHXVAHSA-N 0 3 282.334 2.196 20 10 CECDHN COc1ncccc1CNCc1cccc(C)c1O ZINC000124697505 365657502 /nfs/dbraw/zinc/65/75/02/365657502.db2.gz SHWNLEGIOCXLCX-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1cc([O-])c(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1C ZINC000072918214 343814972 /nfs/dbraw/zinc/81/49/72/343814972.db2.gz FAANIJCMTUCYNE-UHFFFAOYSA-N 0 3 288.391 2.111 20 10 CECDHN C[C@@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000137192265 344386617 /nfs/dbraw/zinc/38/66/17/344386617.db2.gz LQQLAGHUTSJXAB-CQSZACIVSA-N 0 3 289.423 2.101 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCCSC1)OCO2 ZINC000135702353 366470540 /nfs/dbraw/zinc/47/05/40/366470540.db2.gz UUQZAMRGMOAHIM-JTQLQIEISA-N 0 3 267.350 2.106 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCO)Cc1ccccc1 ZINC000000819187 361193359 /nfs/dbraw/zinc/19/33/59/361193359.db2.gz ARORWUIGDPBDTP-UHFFFAOYSA-N 0 3 257.333 2.387 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCO)Cc1ccccc1 ZINC000000819187 361193361 /nfs/dbraw/zinc/19/33/61/361193361.db2.gz ARORWUIGDPBDTP-UHFFFAOYSA-N 0 3 257.333 2.387 20 10 CECDHN CCC(=O)N1CCCN(Cc2cc(C)ccc2O)CC1 ZINC000092187168 364074619 /nfs/dbraw/zinc/07/46/19/364074619.db2.gz AXLMMTDPEDPDEB-UHFFFAOYSA-N 0 3 276.380 2.145 20 10 CECDHN COc1cccc(C[NH2+]CC2(N(C)C)CCCC2)c1[O-] ZINC000112016920 364769456 /nfs/dbraw/zinc/76/94/56/364769456.db2.gz QCDLHUFMOFLVET-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)CO)c1[O-] ZINC000169089716 367365447 /nfs/dbraw/zinc/36/54/47/367365447.db2.gz VNQBZCSHNALDRI-BDAKNGLRSA-N 0 3 273.760 2.161 20 10 CECDHN C[C@@H](O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180058597 368367021 /nfs/dbraw/zinc/36/70/21/368367021.db2.gz VYNSAUVVKIUDEC-SNVBAGLBSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000180683144 368392577 /nfs/dbraw/zinc/39/25/77/368392577.db2.gz RHFWDEYAKFTKBH-KBPBESRZSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1[O-] ZINC000180683144 368392582 /nfs/dbraw/zinc/39/25/82/368392582.db2.gz RHFWDEYAKFTKBH-KBPBESRZSA-N 0 3 279.405 2.407 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)C[C@@H]1C ZINC000188121882 369301322 /nfs/dbraw/zinc/30/13/22/369301322.db2.gz MZRWIYFWOFVVNW-AAEUAGOBSA-N 0 3 293.363 2.032 20 10 CECDHN C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000189912497 369578620 /nfs/dbraw/zinc/57/86/20/369578620.db2.gz VVNHOSCDHRQQRX-JTQLQIEISA-N 0 3 281.377 2.448 20 10 CECDHN C[C@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000189912497 369578623 /nfs/dbraw/zinc/57/86/23/369578623.db2.gz VVNHOSCDHRQQRX-JTQLQIEISA-N 0 3 281.377 2.448 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000190265001 369608846 /nfs/dbraw/zinc/60/88/46/369608846.db2.gz PGSBXIFBABFXDX-RYUDHWBXSA-N 0 3 285.771 2.447 20 10 CECDHN CC(C)(C)C[C@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227373747 370370078 /nfs/dbraw/zinc/37/00/78/370370078.db2.gz ZGPUJDQKBLIVAJ-NSHDSACASA-N 0 3 281.352 2.008 20 10 CECDHN CCC(CC)(CO)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000229210076 370421955 /nfs/dbraw/zinc/42/19/55/370421955.db2.gz ASGLITYZGCOYMP-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1[O-] ZINC000359956882 371494497 /nfs/dbraw/zinc/49/44/97/371494497.db2.gz FZFTVIOIWVGDDL-BXKDBHETSA-N 0 3 275.327 2.463 20 10 CECDHN COCCOCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267500784 372074003 /nfs/dbraw/zinc/07/40/03/372074003.db2.gz SZJDOQXXVXTMNJ-UHFFFAOYSA-N 0 3 292.423 2.380 20 10 CECDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)CC)cc1 ZINC000268739540 372203626 /nfs/dbraw/zinc/20/36/26/372203626.db2.gz RETFCABGMJFRJS-OLZOCXBDSA-N 0 3 277.412 2.318 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccccc1[O-] ZINC000364357713 372736177 /nfs/dbraw/zinc/73/61/77/372736177.db2.gz DQBDHLGJBHGWKA-ZBFHGGJFSA-N 0 3 290.407 2.296 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(C3CCC3)CC2)c1 ZINC000271174682 373161970 /nfs/dbraw/zinc/16/19/70/373161970.db2.gz KATUMRGZFAUEQF-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@@H]12)c1ccccc1[O-] ZINC000367203195 373141211 /nfs/dbraw/zinc/14/12/11/373141211.db2.gz CHZYEBDIWKFSHM-UBHSHLNASA-N 0 3 274.364 2.196 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1[O-] ZINC000272625514 373587891 /nfs/dbraw/zinc/58/78/91/373587891.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1[O-] ZINC000272625514 373587901 /nfs/dbraw/zinc/58/79/01/373587901.db2.gz MKGITCYIMNWNSH-UKRRQHHQSA-N 0 3 260.381 2.227 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@]12CCCO2 ZINC000272650474 373598756 /nfs/dbraw/zinc/59/87/56/373598756.db2.gz FKXSDGITPSEBCV-XHSDSOJGSA-N 0 3 277.364 2.208 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000273738091 373771118 /nfs/dbraw/zinc/77/11/18/373771118.db2.gz LKRYUGWTDHUNQG-UHFFFAOYSA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000273738091 373771121 /nfs/dbraw/zinc/77/11/21/373771121.db2.gz LKRYUGWTDHUNQG-UHFFFAOYSA-N 0 3 273.760 2.257 20 10 CECDHN COC[C@H](C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-])OC ZINC000273392641 373755834 /nfs/dbraw/zinc/75/58/34/373755834.db2.gz DVWMDEMKMATAON-STQMWFEESA-N 0 3 267.369 2.321 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1C ZINC000273530773 373762402 /nfs/dbraw/zinc/76/24/02/373762402.db2.gz WEKUWDGFIOACTD-BBRMVZONSA-N 0 3 293.407 2.447 20 10 CECDHN CCS(=O)(=O)CCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000273563863 373765474 /nfs/dbraw/zinc/76/54/74/373765474.db2.gz IYBFXULVKCSSMX-LBPRGKRZSA-N 0 3 285.409 2.094 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590887 374163836 /nfs/dbraw/zinc/16/38/36/374163836.db2.gz GTCOYTZCWNGZMW-NEPJUHHUSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@H](n3cncn3)C2)c1 ZINC000372590887 374163841 /nfs/dbraw/zinc/16/38/41/374163841.db2.gz GTCOYTZCWNGZMW-NEPJUHHUSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc(O)c([C@@H](C)N2CC[C@H](n3cncn3)C2)c1 ZINC000372590887 374163850 /nfs/dbraw/zinc/16/38/50/374163850.db2.gz GTCOYTZCWNGZMW-NEPJUHHUSA-N 0 3 288.351 2.000 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@@]3(CCCOC3)C2)cc1C ZINC000285162681 375836765 /nfs/dbraw/zinc/83/67/65/375836765.db2.gz SMACHVCYMFOTRG-KRWDZBQOSA-N 0 3 291.391 2.390 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000287128166 376156091 /nfs/dbraw/zinc/15/60/91/376156091.db2.gz RNOVYVBSQJIANP-OLZOCXBDSA-N 0 3 297.420 2.176 20 10 CECDHN COc1cccc(CN2CC=C(c3ccnn3C)CC2)c1O ZINC000289097673 376387200 /nfs/dbraw/zinc/38/72/00/376387200.db2.gz BXLYULHXYCQJMM-UHFFFAOYSA-N 0 3 299.374 2.424 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293602203 377650418 /nfs/dbraw/zinc/65/04/18/377650418.db2.gz DMUSMZHDSNKPMH-MEBBXXQBSA-N 0 3 265.353 2.476 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293677669 377693995 /nfs/dbraw/zinc/69/39/95/377693995.db2.gz KDZAZHUYONOCTP-RYUDHWBXSA-N 0 3 264.369 2.184 20 10 CECDHN CC[C@@H]([NH2+]CCCc1cnn(C)n1)c1ccccc1[O-] ZINC000293766529 377746728 /nfs/dbraw/zinc/74/67/28/377746728.db2.gz RSGLUZGWUJSXIC-CQSZACIVSA-N 0 3 274.368 2.194 20 10 CECDHN CC[C@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000294115514 377911083 /nfs/dbraw/zinc/91/10/83/377911083.db2.gz DFXDIFZVMOOCEC-ZUZCIYMTSA-N 0 3 281.352 2.272 20 10 CECDHN CCCOc1ccc(C[N@H+](C)[C@H](CC)CO)c([O-])c1 ZINC000295061634 378038734 /nfs/dbraw/zinc/03/87/34/378038734.db2.gz GPHACTKSESNPKB-CYBMUJFWSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)[C@H](CC)CO)c([O-])c1 ZINC000295061634 378038741 /nfs/dbraw/zinc/03/87/41/378038741.db2.gz GPHACTKSESNPKB-CYBMUJFWSA-N 0 3 267.369 2.384 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000296272334 378472219 /nfs/dbraw/zinc/47/22/19/378472219.db2.gz DQQVTQRFWFTUMR-OLZOCXBDSA-N 0 3 262.353 2.020 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000184695390 262025927 /nfs/dbraw/zinc/02/59/27/262025927.db2.gz YMBGXPPMFAXEGL-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000184695390 262025929 /nfs/dbraw/zinc/02/59/29/262025929.db2.gz YMBGXPPMFAXEGL-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)CCO)c1 ZINC000185608834 262306553 /nfs/dbraw/zinc/30/65/53/262306553.db2.gz TYKAXCDEUOXKQL-NSHDSACASA-N 0 3 267.369 2.460 20 10 CECDHN CN(C)CC[N@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132737323 394936824 /nfs/dbraw/zinc/93/68/24/394936824.db2.gz JYOHTWHZPFKTBH-UHFFFAOYSA-N 0 3 287.201 2.148 20 10 CECDHN CN(C)CC[N@@H+](C)Cc1cc(Br)ccc1[O-] ZINC000132737323 394936826 /nfs/dbraw/zinc/93/68/26/394936826.db2.gz JYOHTWHZPFKTBH-UHFFFAOYSA-N 0 3 287.201 2.148 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(F)ccc1[O-] ZINC000368329436 394984262 /nfs/dbraw/zinc/98/42/62/394984262.db2.gz DBUUUDXGXKJECY-SMDDNHRTSA-N 0 3 294.370 2.045 20 10 CECDHN CC(C)NC(=O)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000135103645 394963742 /nfs/dbraw/zinc/96/37/42/394963742.db2.gz AAHIOQYFTXSDHY-ZDUSSCGKSA-N 0 3 277.412 2.318 20 10 CECDHN Cc1nc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000373128919 395055200 /nfs/dbraw/zinc/05/52/00/395055200.db2.gz WYBPPGMNPADYES-CYBMUJFWSA-N 0 3 273.336 2.463 20 10 CECDHN Cc1nc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000373128919 395055203 /nfs/dbraw/zinc/05/52/03/395055203.db2.gz WYBPPGMNPADYES-CYBMUJFWSA-N 0 3 273.336 2.463 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000374282217 395078749 /nfs/dbraw/zinc/07/87/49/395078749.db2.gz FJZLAVYVMIEEQF-AWEZNQCLSA-N 0 3 257.337 2.426 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1 ZINC000374282217 395078753 /nfs/dbraw/zinc/07/87/53/395078753.db2.gz FJZLAVYVMIEEQF-AWEZNQCLSA-N 0 3 257.337 2.426 20 10 CECDHN Oc1ccccc1CN1CCN([C@H]2CCSC2)CC1 ZINC000374270836 395078831 /nfs/dbraw/zinc/07/88/31/395078831.db2.gz RDWFHXOXJXVQDM-AWEZNQCLSA-N 0 3 278.421 2.015 20 10 CECDHN O=C1CCCN1C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000374284940 395079567 /nfs/dbraw/zinc/07/95/67/395079567.db2.gz WTLRSFMQSYEVIH-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCN1C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000374284940 395079570 /nfs/dbraw/zinc/07/95/70/395079570.db2.gz WTLRSFMQSYEVIH-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C(C)(C)CCO)c1 ZINC000174577447 395125188 /nfs/dbraw/zinc/12/51/88/395125188.db2.gz ATNGCGKAFAKUIM-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CN(C)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1F ZINC000376137277 395110563 /nfs/dbraw/zinc/11/05/63/395110563.db2.gz XCSXOSLEOOPRRH-ZDUSSCGKSA-N 0 3 278.371 2.360 20 10 CECDHN CO[C@@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182333847 395239564 /nfs/dbraw/zinc/23/95/64/395239564.db2.gz IYWJLRSLMXSZHH-ZFWWWQNUSA-N 0 3 279.380 2.408 20 10 CECDHN CO[C@@H](C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182333847 395239566 /nfs/dbraw/zinc/23/95/66/395239566.db2.gz IYWJLRSLMXSZHH-ZFWWWQNUSA-N 0 3 279.380 2.408 20 10 CECDHN Cc1cccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1[O-] ZINC000182492394 395241971 /nfs/dbraw/zinc/24/19/71/395241971.db2.gz UKHQZRGNMHYAJE-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN COCCCOCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000181523984 395219319 /nfs/dbraw/zinc/21/93/19/395219319.db2.gz ABVWLXFUFBRUHR-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCCOCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000181523984 395219324 /nfs/dbraw/zinc/21/93/24/395219324.db2.gz ABVWLXFUFBRUHR-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COc1ccc([O-])c(C[N@H+](CC(C)(C)O)C2CC2)c1 ZINC000189942749 286337858 /nfs/dbraw/zinc/33/78/58/286337858.db2.gz CTYDIPWCONILDQ-UHFFFAOYSA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](CC(C)(C)O)C2CC2)c1 ZINC000189942749 286337860 /nfs/dbraw/zinc/33/78/60/286337860.db2.gz CTYDIPWCONILDQ-UHFFFAOYSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(CN[C@@H](C)c2cnn(C)c2C)c1O ZINC000020352714 171157025 /nfs/dbraw/zinc/15/70/25/171157025.db2.gz FBVBDZJWKCKQGW-JTQLQIEISA-N 0 3 275.352 2.294 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128267457 260373286 /nfs/dbraw/zinc/37/32/86/260373286.db2.gz YSWJFDPQFQHZAC-STQMWFEESA-N 0 3 265.353 2.040 20 10 CECDHN CC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000156689378 261129441 /nfs/dbraw/zinc/12/94/41/261129441.db2.gz KHHFQEYNAPNFDA-FZMZJTMJSA-N 0 3 274.364 2.196 20 10 CECDHN COC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000159176255 261179984 /nfs/dbraw/zinc/17/99/84/261179984.db2.gz VIMUSFBDJJFJPK-UHFFFAOYSA-N 0 3 276.380 2.138 20 10 CECDHN COc1cc(O)c(CN(C)CCOCC2CC2)cc1OC ZINC000160388095 261212558 /nfs/dbraw/zinc/21/25/58/261212558.db2.gz KUCXNHLUDDOPFS-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363889536 262010712 /nfs/dbraw/zinc/01/07/12/262010712.db2.gz PCFWGGVPQIQMGG-HNNXBMFYSA-N 0 3 298.386 2.062 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CCN2CCOC[C@@H]2C1 ZINC000363889536 262010714 /nfs/dbraw/zinc/01/07/14/262010714.db2.gz PCFWGGVPQIQMGG-HNNXBMFYSA-N 0 3 298.386 2.062 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000184744327 262027543 /nfs/dbraw/zinc/02/75/43/262027543.db2.gz CKMBZUWKEFSKKA-VHSXEESVSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000184744327 262027546 /nfs/dbraw/zinc/02/75/46/262027546.db2.gz CKMBZUWKEFSKKA-VHSXEESVSA-N 0 3 285.771 2.257 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)c([O-])c1 ZINC000184889062 262032285 /nfs/dbraw/zinc/03/22/85/262032285.db2.gz PFXVIGNLQFLYJC-ZDUSSCGKSA-N 0 3 276.380 2.364 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000185332641 262051059 /nfs/dbraw/zinc/05/10/59/262051059.db2.gz HZFBSQNFHJGWHY-LBPRGKRZSA-N 0 3 278.352 2.194 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000185504773 262057156 /nfs/dbraw/zinc/05/71/56/262057156.db2.gz GQSGABZFUCWGEE-GJZGRUSLSA-N 0 3 292.423 2.320 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000185788966 262070811 /nfs/dbraw/zinc/07/08/11/262070811.db2.gz PQJVQZARQCIGCA-ZYHUDNBSSA-N 0 3 280.343 2.193 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)c([O-])c1 ZINC000186540828 262097980 /nfs/dbraw/zinc/09/79/80/262097980.db2.gz ZTOHUEWDQBRXIX-AGKHESDQSA-N 0 3 255.383 2.118 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000186540040 262098127 /nfs/dbraw/zinc/09/81/27/262098127.db2.gz PTZOGMSTAVEPIP-RVPKQNPDSA-N 0 3 255.383 2.118 20 10 CECDHN Oc1ccc(F)cc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000368590333 262112015 /nfs/dbraw/zinc/11/20/15/262112015.db2.gz KOTLCYFEGHXFTQ-CQSZACIVSA-N 0 3 296.411 2.154 20 10 CECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000283833580 263084684 /nfs/dbraw/zinc/08/46/84/263084684.db2.gz FHNMSPNXJBXHKB-GDBMZVCRSA-N 0 3 294.439 2.000 20 10 CECDHN Cc1cc(CN2CCC[C@H]2C(=O)N(C)C)ccc1N(C)C ZINC000293427660 263140277 /nfs/dbraw/zinc/14/02/77/263140277.db2.gz JBQDPHANISVDRC-INIZCTEOSA-N 0 3 289.423 2.114 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000188494536 264013264 /nfs/dbraw/zinc/01/32/64/264013264.db2.gz VNCAPQCYUJVBIB-VHSXEESVSA-N 0 3 268.332 2.049 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@H]3CCCC[C@H]31)OCO2 ZINC000367971631 267131738 /nfs/dbraw/zinc/13/17/38/267131738.db2.gz DCCXCJCTAPNQAB-ZYHUDNBSSA-N 0 3 261.321 2.495 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@H]3CCCC[C@H]31)OCO2 ZINC000367971631 267131739 /nfs/dbraw/zinc/13/17/39/267131739.db2.gz DCCXCJCTAPNQAB-ZYHUDNBSSA-N 0 3 261.321 2.495 20 10 CECDHN COc1ccc(O)c(CN[C@]2(CO)CCc3ccccc32)c1 ZINC000305807299 268000884 /nfs/dbraw/zinc/00/08/84/268000884.db2.gz ZQDXXONDMIUUGS-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN CC[C@H](NCC(=O)N(C)CC)c1ccc(N(C)C)cc1 ZINC000186813457 327854754 /nfs/dbraw/zinc/85/47/54/327854754.db2.gz YDOMKUCUTWKHJW-HNNXBMFYSA-N 0 3 277.412 2.272 20 10 CECDHN Cc1ccc(O)c([C@H](C)NCC(=O)NCC(F)(F)F)c1 ZINC000185179282 327914949 /nfs/dbraw/zinc/91/49/49/327914949.db2.gz VCEVUBMOSAKCIS-VIFPVBQESA-N 0 3 290.285 2.030 20 10 CECDHN COc1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000283800112 328245005 /nfs/dbraw/zinc/24/50/05/328245005.db2.gz AKDUUOJIWYCJEK-ZBFHGGJFSA-N 0 3 295.423 2.251 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527746577 330280384 /nfs/dbraw/zinc/28/03/84/330280384.db2.gz VRYPCEKEUYRMKJ-GFCCVEGCSA-N 0 3 285.269 2.482 20 10 CECDHN COC[C@H](CN[C@@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712553 333287492 /nfs/dbraw/zinc/28/74/92/333287492.db2.gz DHZMEYPZPCAQKT-WFASDCNBSA-N 0 3 266.385 2.065 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000230315200 333316498 /nfs/dbraw/zinc/31/64/98/333316498.db2.gz BNADWILIVRETDL-BBRMVZONSA-N 0 3 277.364 2.448 20 10 CECDHN CCC[C@H](CCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000231383994 333324723 /nfs/dbraw/zinc/32/47/23/333324723.db2.gz XODOOUREIXQZEP-LLVKDONJSA-N 0 3 281.352 2.009 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1[O-] ZINC000251791522 334369777 /nfs/dbraw/zinc/36/97/77/334369777.db2.gz VZBKCRZSEROYNE-FPMFFAJLSA-N 0 3 294.370 2.045 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@H](C)CCO)c1[O-] ZINC000295145635 334902339 /nfs/dbraw/zinc/90/23/39/334902339.db2.gz QLGGEMPLJCOODD-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@H](O)C2CC2)c([O-])c1 ZINC000265254586 520366817 /nfs/dbraw/zinc/36/68/17/520366817.db2.gz PDPXFWZFQKMPCB-OAHLLOKOSA-N 0 3 265.353 2.042 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000292517103 520998977 /nfs/dbraw/zinc/99/89/77/520998977.db2.gz DOYBQCZWXPTHFV-ZDUSSCGKSA-N 0 3 278.396 2.343 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCOC2)c1 ZINC000236852310 521154045 /nfs/dbraw/zinc/15/40/45/521154045.db2.gz WRWJWBWQPQYPGD-LBPRGKRZSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@H](OC)C2)c1O ZINC000234888725 522536873 /nfs/dbraw/zinc/53/68/73/522536873.db2.gz UPPHUEBXTJWRNH-NSHDSACASA-N 0 3 271.744 2.275 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C)cc1[O-] ZINC000280117726 522627754 /nfs/dbraw/zinc/62/77/54/522627754.db2.gz OCLLFHRNMZWVNN-HOCLYGCPSA-N 0 3 292.423 2.198 20 10 CECDHN CC[C@H](NCc1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000271876157 522641829 /nfs/dbraw/zinc/64/18/29/522641829.db2.gz ZLKYJIRESIGLRT-JQWIXIFHSA-N 0 3 293.285 2.192 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084063229 522710161 /nfs/dbraw/zinc/71/01/61/522710161.db2.gz CKFZPAOQMBPRSH-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN COC(=O)CC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000279639375 522935835 /nfs/dbraw/zinc/93/58/35/522935835.db2.gz JCSZPFIJNIASQW-UHFFFAOYSA-N 0 3 263.337 2.358 20 10 CECDHN COCCN(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293261026 523611254 /nfs/dbraw/zinc/61/12/54/523611254.db2.gz CAGKZVKSFIWPON-CQSZACIVSA-N 0 3 280.412 2.238 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)CC(C)C)c1 ZINC000040774036 524775073 /nfs/dbraw/zinc/77/50/73/524775073.db2.gz KNIBODOAPATVDJ-NWDGAFQWSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289740634 524789869 /nfs/dbraw/zinc/78/98/69/524789869.db2.gz QCYHBWOHOAYDMP-DZGCQCFKSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289740634 524789877 /nfs/dbraw/zinc/78/98/77/524789877.db2.gz QCYHBWOHOAYDMP-DZGCQCFKSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617560 524795027 /nfs/dbraw/zinc/79/50/27/524795027.db2.gz GNYIBNMUYZJYDL-GHMZBOCLSA-N 0 3 263.316 2.467 20 10 CECDHN Cc1cc(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)cc1C ZINC000280390749 525319594 /nfs/dbraw/zinc/31/95/94/525319594.db2.gz WWBAUHFHDZTODN-WMLDXEAASA-N 0 3 291.391 2.389 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364735 525338385 /nfs/dbraw/zinc/33/83/85/525338385.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290364735 525338393 /nfs/dbraw/zinc/33/83/93/525338393.db2.gz HBPSFSKQBPYTCX-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000265802926 525775869 /nfs/dbraw/zinc/77/58/69/525775869.db2.gz TWFHBAPJNHKNMO-CQSZACIVSA-N 0 3 263.362 2.451 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290466437 525916029 /nfs/dbraw/zinc/91/60/29/525916029.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290466437 525916034 /nfs/dbraw/zinc/91/60/34/525916034.db2.gz NGVPPFVBGGCZOK-OCCSQVGLSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290466430 525917466 /nfs/dbraw/zinc/91/74/66/525917466.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290466430 525917476 /nfs/dbraw/zinc/91/74/76/525917476.db2.gz NGVPPFVBGGCZOK-GXTWGEPZSA-N 0 3 278.396 2.173 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297385141 525945675 /nfs/dbraw/zinc/94/56/75/525945675.db2.gz RKLJQYVQGIUJOI-GJZGRUSLSA-N 0 3 292.423 2.198 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)CC1CCC1 ZINC000279831107 527605081 /nfs/dbraw/zinc/60/50/81/527605081.db2.gz QHOZWJCCCMRCNH-ZDUSSCGKSA-N 0 3 253.317 2.172 20 10 CECDHN CC[C@H](C(=O)NCCCSc1nccs1)N(C)C ZINC000125216866 649872804 /nfs/dbraw/zinc/87/28/04/649872804.db2.gz QLJYJWBRMMVXCN-SNVBAGLBSA-N 0 3 287.454 2.082 20 10 CECDHN Fc1cc(CN2CCCC2)ccc1N1CCOCC1 ZINC000727465403 574451972 /nfs/dbraw/zinc/45/19/72/574451972.db2.gz DZXAJGARVUGQAN-UHFFFAOYSA-N 0 3 264.344 2.258 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000732821017 574632322 /nfs/dbraw/zinc/63/23/22/574632322.db2.gz UDPLPNPRUQIOJJ-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)COC)c([O-])c1 ZINC000738441051 574863242 /nfs/dbraw/zinc/86/32/42/574863242.db2.gz ZZIWDDKUWNQALS-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN COc1ccc(CNCc2ccc(N(C)C)cc2)cn1 ZINC000020185958 628496110 /nfs/dbraw/zinc/49/61/10/628496110.db2.gz JHRUCMVIVOGWRP-UHFFFAOYSA-N 0 3 271.364 2.446 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCCO)c1[O-] ZINC000186912842 628753286 /nfs/dbraw/zinc/75/32/86/628753286.db2.gz ZGXVEGROUCDTEX-VIFPVBQESA-N 0 3 288.185 2.496 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106917594 628856454 /nfs/dbraw/zinc/85/64/54/628856454.db2.gz UBQCQLYNWOCAHQ-IAQYHMDHSA-N 0 3 294.395 2.164 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000310955065 629747682 /nfs/dbraw/zinc/74/76/82/629747682.db2.gz CDUMKFPTZWIQRN-AWEZNQCLSA-N 0 3 266.772 2.231 20 10 CECDHN [O-]c1cccc(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636491 630620844 /nfs/dbraw/zinc/62/08/44/630620844.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636491 630620845 /nfs/dbraw/zinc/62/08/45/630620845.db2.gz DIWKUYKHRASDIA-VXGBXAGGSA-N 0 3 264.344 2.248 20 10 CECDHN C[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCN1C ZINC000896637393 630621072 /nfs/dbraw/zinc/62/10/72/630621072.db2.gz JPWRPQLMFIETTO-WDEREUQCSA-N 0 3 252.333 2.104 20 10 CECDHN CCC[N@@H+]1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712156 631130748 /nfs/dbraw/zinc/13/07/48/631130748.db2.gz ZUBAIQUHURMOKF-LBPRGKRZSA-N 0 3 294.370 2.270 20 10 CECDHN CCC[N@H+]1CCC[C@H](C(=O)NCc2c([O-])cccc2F)C1 ZINC000928712156 631130750 /nfs/dbraw/zinc/13/07/50/631130750.db2.gz ZUBAIQUHURMOKF-LBPRGKRZSA-N 0 3 294.370 2.270 20 10 CECDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717601 632005717 /nfs/dbraw/zinc/00/57/17/632005717.db2.gz FVRMRDNFTKJKKK-ZYHUDNBSSA-N 0 3 287.787 2.402 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccccc1[O-] ZINC000809751941 632140406 /nfs/dbraw/zinc/14/04/06/632140406.db2.gz YSXQXCGRTGQJTK-OAHLLOKOSA-N 0 3 278.396 2.155 20 10 CECDHN CC(C)N(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000311036239 632311018 /nfs/dbraw/zinc/31/10/18/632311018.db2.gz FUCXFRDTLRVTRV-NSHDSACASA-N 0 3 254.349 2.350 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@H](C)OC ZINC000812807703 632587186 /nfs/dbraw/zinc/58/71/86/632587186.db2.gz ICRBTQCTTOEZFR-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@H](C)OC ZINC000812807703 632587190 /nfs/dbraw/zinc/58/71/90/632587190.db2.gz ICRBTQCTTOEZFR-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnn(CC(F)F)c2)c([O-])c1 ZINC000816597313 633419453 /nfs/dbraw/zinc/41/94/53/633419453.db2.gz MVNPMEKCGSAHJK-UHFFFAOYSA-N 0 3 297.305 2.152 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([O-])c1 ZINC000817412576 633650866 /nfs/dbraw/zinc/65/08/66/633650866.db2.gz MVWFCQXTLISADQ-CHWSQXEVSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([O-])c1 ZINC000817412576 633650863 /nfs/dbraw/zinc/65/08/63/633650863.db2.gz MVWFCQXTLISADQ-CHWSQXEVSA-N 0 3 279.380 2.241 20 10 CECDHN C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817945026 633792443 /nfs/dbraw/zinc/79/24/43/633792443.db2.gz RPVJAUBGMIGLKJ-SCZZXKLOSA-N 0 3 285.185 2.167 20 10 CECDHN C[C@H](NC[C@@H]1CCCC[NH2+]1)c1cc(F)cc(F)c1[O-] ZINC000817948935 633795251 /nfs/dbraw/zinc/79/52/51/633795251.db2.gz FLVNHHVVQQNSLP-ONGXEEELSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCCN1)c1cc(F)cc(F)c1[O-] ZINC000817948935 633795254 /nfs/dbraw/zinc/79/52/54/633795254.db2.gz FLVNHHVVQQNSLP-ONGXEEELSA-N 0 3 270.323 2.463 20 10 CECDHN CC(C)([NH3+])CCNCc1c([O-])ccc(Cl)c1F ZINC000903940140 635372971 /nfs/dbraw/zinc/37/29/71/635372971.db2.gz YLQFJXFHUHAHAW-UHFFFAOYSA-N 0 3 260.740 2.402 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000842776763 635774865 /nfs/dbraw/zinc/77/48/65/635774865.db2.gz ZRIBUOZRXZLGSO-JQWIXIFHSA-N 0 3 251.326 2.058 20 10 CECDHN N[C@H](C(=O)NCc1ccc(N2CCCC2)cc1)C1CCC1 ZINC000827007732 636186989 /nfs/dbraw/zinc/18/69/89/636186989.db2.gz AIDCXKYITMHEBK-INIZCTEOSA-N 0 3 287.407 2.030 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1=CCCOC1 ZINC000827189151 636249931 /nfs/dbraw/zinc/24/99/31/636249931.db2.gz GRNAMDOKDITTOF-UHFFFAOYSA-N 0 3 251.301 2.310 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1=CCCOC1 ZINC000827189151 636249943 /nfs/dbraw/zinc/24/99/43/636249943.db2.gz GRNAMDOKDITTOF-UHFFFAOYSA-N 0 3 251.301 2.310 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000827284303 636279527 /nfs/dbraw/zinc/27/95/27/636279527.db2.gz UPENTPDTLGREIL-XJKSGUPXSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000827284303 636279532 /nfs/dbraw/zinc/27/95/32/636279532.db2.gz UPENTPDTLGREIL-XJKSGUPXSA-N 0 3 277.364 2.259 20 10 CECDHN CC(C)(C)N1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000827555053 636351340 /nfs/dbraw/zinc/35/13/40/636351340.db2.gz MRZLZUIWZVVDRV-LLVKDONJSA-N 0 3 294.370 2.268 20 10 CECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C(C)(C)C)cc1 ZINC000830541059 637098804 /nfs/dbraw/zinc/09/88/04/637098804.db2.gz GTHKDJWQPDBRIG-UHFFFAOYSA-N 0 3 291.439 2.441 20 10 CECDHN C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832870505 637696952 /nfs/dbraw/zinc/69/69/52/637696952.db2.gz LZGCXRPZIPLMKF-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN C[N@H+]1CCC[C@@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832870505 637696956 /nfs/dbraw/zinc/69/69/56/637696956.db2.gz LZGCXRPZIPLMKF-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN CN1CCC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870505 637696959 /nfs/dbraw/zinc/69/69/59/637696959.db2.gz LZGCXRPZIPLMKF-CQSZACIVSA-N 0 3 280.393 2.012 20 10 CECDHN Cc1ccc(CN2CCCN(C(=O)C(C)C)CC2)c(O)c1 ZINC000876623246 650364777 /nfs/dbraw/zinc/36/47/77/650364777.db2.gz DMLUKVWGVSRDOJ-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1c(C)cccc1O ZINC000876632196 650368215 /nfs/dbraw/zinc/36/82/15/650368215.db2.gz PYJYGGKRZMLGOL-UHFFFAOYSA-N 0 3 264.369 2.001 20 10 CECDHN O=C(CC[NH2+][C@@H]1CCc2cccc([O-])c21)Nc1ccccn1 ZINC000834541260 637859281 /nfs/dbraw/zinc/85/92/81/637859281.db2.gz SKZKOLNPMVMLJR-CYBMUJFWSA-N 0 3 297.358 2.393 20 10 CECDHN CC(=O)N(C)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876644802 650372955 /nfs/dbraw/zinc/37/29/55/650372955.db2.gz ITRFSSLJTWMGSW-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834597492 637886117 /nfs/dbraw/zinc/88/61/17/637886117.db2.gz GGLLTAGXFZHHQO-VXGBXAGGSA-N 0 3 267.394 2.083 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834765509 637943706 /nfs/dbraw/zinc/94/37/06/637943706.db2.gz NBSPOJUAWHELPH-KCQAQPDRSA-N 0 3 277.364 2.163 20 10 CECDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834895399 637980233 /nfs/dbraw/zinc/98/02/33/637980233.db2.gz BHQKRNMIWFEYIT-NEPJUHHUSA-N 0 3 259.353 2.408 20 10 CECDHN Cc1cnc(CC[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000834907880 637985142 /nfs/dbraw/zinc/98/51/42/637985142.db2.gz FFXCLMSRPBPMTO-AWEZNQCLSA-N 0 3 269.348 2.310 20 10 CECDHN CN(C)c1ccc(/C=C/CNCc2ccnn2C)cc1 ZINC000835036430 638032954 /nfs/dbraw/zinc/03/29/54/638032954.db2.gz PGKZUDOCAOCAHS-SNAWJCMRSA-N 0 3 270.380 2.289 20 10 CECDHN CNC(=O)[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835040494 638034934 /nfs/dbraw/zinc/03/49/34/638034934.db2.gz DHMMWIWQCMJQAR-WLMCBFPDSA-N 0 3 289.423 2.126 20 10 CECDHN CN(C)c1ccc(/C=C\CNCc2cncn2C)cc1 ZINC000835052621 638039738 /nfs/dbraw/zinc/03/97/38/638039738.db2.gz HVCZCRLMMGSHMX-PLNGDYQASA-N 0 3 270.380 2.289 20 10 CECDHN COCCOC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876774830 650427959 /nfs/dbraw/zinc/42/79/59/650427959.db2.gz IGCYBVRUMAFGBH-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876774830 650427962 /nfs/dbraw/zinc/42/79/62/650427962.db2.gz IGCYBVRUMAFGBH-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN Cc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000876798828 650437731 /nfs/dbraw/zinc/43/77/31/650437731.db2.gz PSIJXIXWHNBZDC-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c([O-])c1 ZINC000876798828 650437732 /nfs/dbraw/zinc/43/77/32/650437732.db2.gz PSIJXIXWHNBZDC-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN c1cc(N2CCOCC2)ccc1CN1CCSCC1 ZINC000126191017 650449150 /nfs/dbraw/zinc/44/91/50/650449150.db2.gz AAZOWONRVVYIPP-UHFFFAOYSA-N 0 3 278.421 2.072 20 10 CECDHN C[NH+](C)C1(C)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000913390114 639265158 /nfs/dbraw/zinc/26/51/58/639265158.db2.gz MRUZOOQTQQVYLW-UHFFFAOYSA-N 0 3 268.382 2.010 20 10 CECDHN COc1cc(C[NH2+]Cc2cc(F)ccc2[O-])ccn1 ZINC000226606495 639554737 /nfs/dbraw/zinc/55/47/37/639554737.db2.gz CUVOJZIDEIICRD-UHFFFAOYSA-N 0 3 262.284 2.225 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000840977052 639607827 /nfs/dbraw/zinc/60/78/27/639607827.db2.gz FQYHPWGZOQPXSW-OCCSQVGLSA-N 0 3 279.380 2.432 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c([O-])c1 ZINC000840977468 639607848 /nfs/dbraw/zinc/60/78/48/639607848.db2.gz IHIGSUCJVVZIRP-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c([O-])c1 ZINC000840977468 639607852 /nfs/dbraw/zinc/60/78/52/639607852.db2.gz IHIGSUCJVVZIRP-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@@H]2CCC[NH2+]C2)c1[O-] ZINC000841033594 639626768 /nfs/dbraw/zinc/62/67/68/639626768.db2.gz WRSQDWCNKBALNI-SECBINFHSA-N 0 3 299.758 2.043 20 10 CECDHN Cc1nn(C)c(Cl)c1CNCCc1ccc(N)cc1 ZINC000841036336 639628042 /nfs/dbraw/zinc/62/80/42/639628042.db2.gz LKWLDHJNUYAVHE-UHFFFAOYSA-N 0 3 278.787 2.296 20 10 CECDHN Cc1noc(CCC[NH2+]Cc2c(C)cccc2[O-])n1 ZINC000877023944 650535396 /nfs/dbraw/zinc/53/53/96/650535396.db2.gz KUTRXSYGUFGIGC-UHFFFAOYSA-N 0 3 261.325 2.114 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@H](C[NH3+])C2)c1[O-] ZINC000842478600 640077712 /nfs/dbraw/zinc/07/77/12/640077712.db2.gz LDCOACARPABGLJ-ZWNOBZJWSA-N 0 3 294.370 2.151 20 10 CECDHN Cc1ccc(O)c(CNC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000152504990 640256275 /nfs/dbraw/zinc/25/62/75/640256275.db2.gz DCYIMPOBTZXFDP-UHFFFAOYSA-N 0 3 292.379 2.410 20 10 CECDHN C[C@]1(C[NH3+])CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843118049 640287381 /nfs/dbraw/zinc/28/73/81/640287381.db2.gz ZOKWEENAGZRXSI-CYBMUJFWSA-N 0 3 254.761 2.216 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)c([O-])c1 ZINC000877095209 650569970 /nfs/dbraw/zinc/56/99/70/650569970.db2.gz PPRXNXLFSDBKMB-SWLSCSKDSA-N 0 3 260.381 2.273 20 10 CECDHN CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843349434 640398103 /nfs/dbraw/zinc/39/81/03/640398103.db2.gz ZFQCVEPNFOUPHA-CQSZACIVSA-N 0 3 294.370 2.308 20 10 CECDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000843423069 640424328 /nfs/dbraw/zinc/42/43/28/640424328.db2.gz VGTYMSCCMLGVKU-AWEZNQCLSA-N 0 3 278.396 2.317 20 10 CECDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@H]1CCN(C)C1 ZINC000843423069 640424331 /nfs/dbraw/zinc/42/43/31/640424331.db2.gz VGTYMSCCMLGVKU-AWEZNQCLSA-N 0 3 278.396 2.317 20 10 CECDHN CCn1nnc(C)c1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845971791 641140398 /nfs/dbraw/zinc/14/03/98/641140398.db2.gz NCBJRMHOYQJPLD-JTQLQIEISA-N 0 3 290.367 2.171 20 10 CECDHN COc1cccc([C@@H](C)NCc2n[nH]c(C(C)C)n2)c1O ZINC000846170273 641211505 /nfs/dbraw/zinc/21/15/05/641211505.db2.gz NFPANZZHBQDHFW-SNVBAGLBSA-N 0 3 290.367 2.493 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCn2ccnn2)c([O-])c1 ZINC000126444567 650662028 /nfs/dbraw/zinc/66/20/28/650662028.db2.gz ZWIXJHKKYPXPRV-GFCCVEGCSA-N 0 3 260.341 2.033 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185117712 641938072 /nfs/dbraw/zinc/93/80/72/641938072.db2.gz AKEQERDXOCAVPQ-DGCLKSJQSA-N 0 3 285.359 2.215 20 10 CECDHN COCCOC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769402169 642132927 /nfs/dbraw/zinc/13/29/27/642132927.db2.gz CNALFMWNAAKIAB-UHFFFAOYSA-N 0 3 295.379 2.028 20 10 CECDHN CCc1cccc(CN2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000848880622 642168342 /nfs/dbraw/zinc/16/83/42/642168342.db2.gz GMUHZANFMLWFCG-HNNXBMFYSA-N 0 3 288.391 2.198 20 10 CECDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848924236 642195884 /nfs/dbraw/zinc/19/58/84/642195884.db2.gz YIJNOOHBQKQGIY-UPJWGTAASA-N 0 3 296.386 2.119 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000848925975 642196403 /nfs/dbraw/zinc/19/64/03/642196403.db2.gz IZVJCSQOVKHQIM-HOTGVXAUSA-N 0 3 273.307 2.279 20 10 CECDHN CCOc1ccc(C[N@H+](C[C@H](C)O)C2CC2)c([O-])c1 ZINC000848928500 642199411 /nfs/dbraw/zinc/19/94/11/642199411.db2.gz FSQYUAGZKPKKLM-NSHDSACASA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)c([O-])c1 ZINC000848928500 642199413 /nfs/dbraw/zinc/19/94/13/642199413.db2.gz FSQYUAGZKPKKLM-NSHDSACASA-N 0 3 265.353 2.136 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877490633 650747594 /nfs/dbraw/zinc/74/75/94/650747594.db2.gz BENSILCJIZGAHZ-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877529381 650769803 /nfs/dbraw/zinc/76/98/03/650769803.db2.gz AZFMKFAITSWOBW-HNNXBMFYSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877529381 650769804 /nfs/dbraw/zinc/76/98/04/650769804.db2.gz AZFMKFAITSWOBW-HNNXBMFYSA-N 0 3 288.391 2.145 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([O-])c1 ZINC000850389065 642696937 /nfs/dbraw/zinc/69/69/37/642696937.db2.gz SRWNVKUOLNINIY-CABCVRRESA-N 0 3 277.364 2.184 20 10 CECDHN COc1ccc(O)c(CN[C@H]2CCCn3nccc32)c1 ZINC000850442094 642714777 /nfs/dbraw/zinc/71/47/77/642714777.db2.gz ANVNDFKRRQXADR-ZDUSSCGKSA-N 0 3 273.336 2.222 20 10 CECDHN CON(C)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850479283 642726060 /nfs/dbraw/zinc/72/60/60/642726060.db2.gz PFJZLCZNAVNXKB-ONGXEEELSA-N 0 3 268.332 2.162 20 10 CECDHN CC[C@H]([NH2+]C[C@H](OC)[C@H]1CCOC1)c1ccccc1[O-] ZINC000850485162 642729190 /nfs/dbraw/zinc/72/91/90/642729190.db2.gz YCDBVEORJZBNSN-NOLJZWGESA-N 0 3 279.380 2.484 20 10 CECDHN COC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CCOCC1 ZINC000850493878 642731291 /nfs/dbraw/zinc/73/12/91/642731291.db2.gz KWKQGCLWDQAQRZ-GJZGRUSLSA-N 0 3 291.391 2.411 20 10 CECDHN CN(C)c1ccc(/C=C\CNCC2OCCCO2)cc1 ZINC000922277416 642996426 /nfs/dbraw/zinc/99/64/26/642996426.db2.gz AXZFNOFPVSQOHO-HYXAFXHYSA-N 0 3 276.380 2.118 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c([O-])c1 ZINC000877636278 650827766 /nfs/dbraw/zinc/82/77/66/650827766.db2.gz RNZFSKORYDGXHV-INIZCTEOSA-N 0 3 290.407 2.044 20 10 CECDHN CC(C)(C)N1CC[C@H]1CNC(=O)NCc1ccccc1O ZINC000852413340 643417928 /nfs/dbraw/zinc/41/79/28/643417928.db2.gz TWCOJVISBIUCRH-ZDUSSCGKSA-N 0 3 291.395 2.064 20 10 CECDHN FC(F)Oc1ccc2c(c1)CCCN2C[C@H]1CNCCO1 ZINC000852745374 643530872 /nfs/dbraw/zinc/53/08/72/643530872.db2.gz SLSPBAUIZLHKHV-CYBMUJFWSA-N 0 3 298.333 2.029 20 10 CECDHN CC[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877691721 650852856 /nfs/dbraw/zinc/85/28/56/650852856.db2.gz UMHBSZAHRJJEAG-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN CC[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877691721 650852859 /nfs/dbraw/zinc/85/28/59/650852859.db2.gz UMHBSZAHRJJEAG-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN CC[C@@]1(O)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000877692719 650853421 /nfs/dbraw/zinc/85/34/21/650853421.db2.gz PUIVNKDDLVREJH-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@@]1(O)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000877692719 650853427 /nfs/dbraw/zinc/85/34/27/650853427.db2.gz PUIVNKDDLVREJH-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[N@@H+](C2CCC2)C1 ZINC000854602798 644105737 /nfs/dbraw/zinc/10/57/37/644105737.db2.gz MFQMTWMJAOWRCW-NSHDSACASA-N 0 3 294.420 2.400 20 10 CECDHN C[C@@H]1CN(C(=O)c2cc([O-])cs2)CC[N@H+](C2CCC2)C1 ZINC000854602798 644105741 /nfs/dbraw/zinc/10/57/41/644105741.db2.gz MFQMTWMJAOWRCW-NSHDSACASA-N 0 3 294.420 2.400 20 10 CECDHN CC[C@@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839513354 644240177 /nfs/dbraw/zinc/24/01/77/644240177.db2.gz XDMMPFFWSDFQJF-CYBMUJFWSA-N 0 3 277.412 2.099 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC2CC2)c([O-])c1 ZINC000756509360 644656683 /nfs/dbraw/zinc/65/66/83/644656683.db2.gz AWSMBKFZKCYSCE-TZMCWYRMSA-N 0 3 279.380 2.139 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CN(C)CCO2)c([O-])c1 ZINC000756762278 644690127 /nfs/dbraw/zinc/69/01/27/644690127.db2.gz XEOOAAULNHJHKS-HEHGZKQESA-N 0 3 278.396 2.070 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000756762283 644690566 /nfs/dbraw/zinc/69/05/66/644690566.db2.gz XEOOAAULNHJHKS-ZENOOKHLSA-N 0 3 278.396 2.070 20 10 CECDHN CCN(CC)CC(=O)NCCCSc1nccs1 ZINC000114375245 644694718 /nfs/dbraw/zinc/69/47/18/644694718.db2.gz JFLNHMKBPFBLAG-UHFFFAOYSA-N 0 3 287.454 2.083 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H](CO)C2CCC2)cc1F ZINC000858186820 645083383 /nfs/dbraw/zinc/08/33/83/645083383.db2.gz MQGIIMJSJIEEHJ-AWEZNQCLSA-N 0 3 284.350 2.281 20 10 CECDHN NC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000858249404 645098158 /nfs/dbraw/zinc/09/81/58/645098158.db2.gz PTTNBNHSKKBWAA-KOMQPUFPSA-N 0 3 296.370 2.413 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN2CC[C@H](O)C2)c1[O-] ZINC000858601318 645218419 /nfs/dbraw/zinc/21/84/19/645218419.db2.gz DWJFXHLMSOVNAZ-YPMHNXCESA-N 0 3 298.814 2.071 20 10 CECDHN CN(C)c1ccc(CN2CCC(CCO)CC2)cc1F ZINC000768236897 646099949 /nfs/dbraw/zinc/09/99/49/646099949.db2.gz LJHDEZSKNWUOQJ-UHFFFAOYSA-N 0 3 280.387 2.486 20 10 CECDHN COc1cc(O)c(CN2CCCOC[C@H]2C)cc1OC ZINC000768462937 646126691 /nfs/dbraw/zinc/12/66/91/646126691.db2.gz OZXQJNNKIPHMGF-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1C[C@@H]3CCCC[C@H]3C1)[C@@H](O)CO2 ZINC000768465245 646128603 /nfs/dbraw/zinc/12/86/03/646128603.db2.gz YQQMPBBACLSBMJ-MKBNYLNASA-N 0 3 289.375 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769310586 646241971 /nfs/dbraw/zinc/24/19/71/646241971.db2.gz IVOAOOJAUIEOJZ-CYBMUJFWSA-N 0 3 287.363 2.434 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769310586 646241978 /nfs/dbraw/zinc/24/19/78/646241978.db2.gz IVOAOOJAUIEOJZ-CYBMUJFWSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](COC)C2)c([O-])c1 ZINC000769398088 646260052 /nfs/dbraw/zinc/26/00/52/646260052.db2.gz FXUYEJKWUDKFMX-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](COC)C2)c([O-])c1 ZINC000769398088 646260054 /nfs/dbraw/zinc/26/00/54/646260054.db2.gz FXUYEJKWUDKFMX-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CC[C@H](CSC)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773255041 646719505 /nfs/dbraw/zinc/71/95/05/646719505.db2.gz LPXTXZKEUJGROW-RISCZKNCSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@H](CSC)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773255041 646719507 /nfs/dbraw/zinc/71/95/07/646719507.db2.gz LPXTXZKEUJGROW-RISCZKNCSA-N 0 3 297.420 2.391 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000773415174 646736537 /nfs/dbraw/zinc/73/65/37/646736537.db2.gz LVRGYMMQOUUNBW-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN C[C@@H]1CC[C@@H](NCc2c([O-])cccc2Cl)C[NH2+]1 ZINC000863484207 646740123 /nfs/dbraw/zinc/74/01/23/646740123.db2.gz IAZRDDVBPQZZES-NXEZZACHSA-N 0 3 254.761 2.276 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)C(C)(C)C)c([O-])c1 ZINC000775058954 646920500 /nfs/dbraw/zinc/92/05/00/646920500.db2.gz FOTDUFSNJLOHFO-CQSZACIVSA-N 0 3 267.369 2.288 20 10 CECDHN COC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2ccccc2[O-])C1 ZINC000775348201 646944058 /nfs/dbraw/zinc/94/40/58/646944058.db2.gz UIFIKCXKQLQCCG-TZMCWYRMSA-N 0 3 292.379 2.349 20 10 CECDHN COCC1=CC[N@H+](Cc2c([O-])cccc2OC)CC1 ZINC000775993894 647014472 /nfs/dbraw/zinc/01/44/72/647014472.db2.gz DHJUAYOTEMRXRE-UHFFFAOYSA-N 0 3 263.337 2.179 20 10 CECDHN COCC1=CC[N@@H+](Cc2c([O-])cccc2OC)CC1 ZINC000775993894 647014474 /nfs/dbraw/zinc/01/44/74/647014474.db2.gz DHJUAYOTEMRXRE-UHFFFAOYSA-N 0 3 263.337 2.179 20 10 CECDHN Cn1ccnc1[C@@H](NCc1ccccc1O)C1CC1 ZINC000776482197 647065512 /nfs/dbraw/zinc/06/55/12/647065512.db2.gz IYOALQRTWLLQHD-AWEZNQCLSA-N 0 3 257.337 2.367 20 10 CECDHN CCOc1ccc(C[NH2+]C2(CO)CCCC2)c([O-])c1 ZINC000777486413 647140754 /nfs/dbraw/zinc/14/07/54/647140754.db2.gz LHLZJFMFXHKJNJ-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN Cn1ncc2cc(CNCc3ccc4c(c3)CCO4)cnc21 ZINC000865440827 647294200 /nfs/dbraw/zinc/29/42/00/647294200.db2.gz NOJMPTNEXSIOAQ-UHFFFAOYSA-N 0 3 294.358 2.193 20 10 CECDHN COCCc1ncc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000865442324 647295258 /nfs/dbraw/zinc/29/52/58/647295258.db2.gz MKUIIERNDMLUHL-UHFFFAOYSA-N 0 3 278.377 2.327 20 10 CECDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1c([O-])cccc1OC ZINC000865871329 647513537 /nfs/dbraw/zinc/51/35/37/647513537.db2.gz BPVSKBJSCQSOGO-GHMZBOCLSA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccccc1[O-] ZINC000783499805 647721469 /nfs/dbraw/zinc/72/14/69/647721469.db2.gz BKOKWBNETYBYQV-LBPRGKRZSA-N 0 3 285.347 2.467 20 10 CECDHN C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000866462971 647795904 /nfs/dbraw/zinc/79/59/04/647795904.db2.gz FIXIJRHEODPGAY-OKTBNZSVSA-N 0 3 281.249 2.494 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccnn1C ZINC000866616153 647843284 /nfs/dbraw/zinc/84/32/84/647843284.db2.gz ZJJNYFVYWWRUFT-ZYHUDNBSSA-N 0 3 257.337 2.464 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCCCO)c2c1c(F)ccc2[O-] ZINC000786939683 648057888 /nfs/dbraw/zinc/05/78/88/648057888.db2.gz DZEFLXKQHLYTJX-KOLCDFICSA-N 0 3 253.317 2.442 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2C)c1O ZINC000788268587 648167302 /nfs/dbraw/zinc/16/73/02/648167302.db2.gz GKOWXGAKLVDDLX-GZMMTYOYSA-N 0 3 271.744 2.009 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([O-])c1 ZINC000788971055 648239402 /nfs/dbraw/zinc/23/94/02/648239402.db2.gz ANOFTWQARCLTTG-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CC3)CC1)[C@@H](O)CO2 ZINC000793631577 648783856 /nfs/dbraw/zinc/78/38/56/648783856.db2.gz OZFMSGQHYPELPR-INIZCTEOSA-N 0 3 289.375 2.440 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H](C(C)=O)C2)cc1OC ZINC000872800860 649492567 /nfs/dbraw/zinc/49/25/67/649492567.db2.gz GRVZUJBZMCNIFN-LBPRGKRZSA-N 0 3 293.363 2.210 20 10 CECDHN CCCOc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1C ZINC000873036611 649538777 /nfs/dbraw/zinc/53/87/77/649538777.db2.gz UUOQNPJXDLALBO-CQSZACIVSA-N 0 3 276.380 2.104 20 10 CECDHN CCOc1cccc(CNCc2ccc(OC)nc2)c1O ZINC000020186189 649735431 /nfs/dbraw/zinc/73/54/31/649735431.db2.gz HPWNHLMLYFQCND-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN CC(C)OC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648703 651335183 /nfs/dbraw/zinc/33/51/83/651335183.db2.gz ZUGQQZMMWSGZDG-LLVKDONJSA-N 0 3 251.326 2.385 20 10 CECDHN COC(=O)CCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650221 651335210 /nfs/dbraw/zinc/33/52/10/651335210.db2.gz QEXGHYLEVNJUQP-NSHDSACASA-N 0 3 251.326 2.386 20 10 CECDHN CC(C)N(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651430 651335589 /nfs/dbraw/zinc/33/55/89/651335589.db2.gz VHFIKXJMSCHBCZ-NWDGAFQWSA-N 0 3 264.369 2.298 20 10 CECDHN Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650343 651335856 /nfs/dbraw/zinc/33/58/56/651335856.db2.gz VQURSUONRMJGGE-JTQLQIEISA-N 0 3 290.323 2.156 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883395132 652454221 /nfs/dbraw/zinc/45/42/21/652454221.db2.gz NVLKKRHCSBNYKF-JSGCOSHPSA-N 0 3 288.391 2.362 20 10 CECDHN CC[C@H]([NH2+]CC[S@@](=O)CC)c1ccccc1[O-] ZINC000132529469 652530492 /nfs/dbraw/zinc/53/04/92/652530492.db2.gz VTYKOFMQFDILNV-YVEFUNNKSA-N 0 3 255.383 2.202 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000135719463 652980187 /nfs/dbraw/zinc/98/01/87/652980187.db2.gz YNLMTBHAWQJBEF-LLVKDONJSA-N 0 3 264.369 2.348 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NCC(C)C)c1 ZINC000135727382 652983838 /nfs/dbraw/zinc/98/38/38/652983838.db2.gz SPCHUVYPIXIMSN-VXGBXAGGSA-N 0 3 294.395 2.212 20 10 CECDHN Cc1ccc(C)c(CN2CCN(c3cccnn3)CC2)c1O ZINC001140182247 802670740 /nfs/dbraw/zinc/67/07/40/802670740.db2.gz MJJYSUZCGGWSTD-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN C[C@H]1CN(Cc2c([O-])cccc2Br)C[C@H](C)[NH2+]1 ZINC000706855317 802843155 /nfs/dbraw/zinc/84/31/55/802843155.db2.gz BXSWPHKTPCJKIY-UWVGGRQHSA-N 0 3 299.212 2.337 20 10 CECDHN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1c([O-])cccc1Br ZINC000706867086 802846999 /nfs/dbraw/zinc/84/69/99/802846999.db2.gz OJBBKHJHUCDHSG-VHSXEESVSA-N 0 3 299.212 2.337 20 10 CECDHN C[C@@H](CF)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117759788 814945078 /nfs/dbraw/zinc/94/50/78/814945078.db2.gz BUJCVRREZROATQ-LBPRGKRZSA-N 0 3 283.366 2.025 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC12CC2 ZINC001140953451 803627892 /nfs/dbraw/zinc/62/78/92/803627892.db2.gz ATGTUCSERBYPRD-ZDUSSCGKSA-N 0 3 275.348 2.086 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC12CC2 ZINC001140953451 803627896 /nfs/dbraw/zinc/62/78/96/803627896.db2.gz ATGTUCSERBYPRD-ZDUSSCGKSA-N 0 3 275.348 2.086 20 10 CECDHN COCn1ncc(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC001119288321 815083091 /nfs/dbraw/zinc/08/30/91/815083091.db2.gz AMSHABSUNOMNCN-GFCCVEGCSA-N 0 3 275.352 2.352 20 10 CECDHN Oc1cc(O)c(CN2CC[C@@]3(CC3(F)F)C2)cc1O ZINC001233486103 807408716 /nfs/dbraw/zinc/40/87/16/807408716.db2.gz YOZGNHQJEYSYEQ-GFCCVEGCSA-N 0 3 271.263 2.035 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)c([O-])c1 ZINC000716775370 815146275 /nfs/dbraw/zinc/14/62/75/815146275.db2.gz UEOKFEVKLPSOKH-ONGXEEELSA-N 0 3 259.296 2.367 20 10 CECDHN [NH3+][C@]12CC[C@@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001235998748 807916841 /nfs/dbraw/zinc/91/68/41/807916841.db2.gz ZICVQWMUSHNBHM-RNCFNFMXSA-N 0 3 297.196 2.078 20 10 CECDHN [NH3+][C@]12CC[C@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001235998752 807917512 /nfs/dbraw/zinc/91/75/12/807917512.db2.gz ZICVQWMUSHNBHM-ZANVPECISA-N 0 3 297.196 2.078 20 10 CECDHN CCCC[C@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC001236137383 807993181 /nfs/dbraw/zinc/99/31/81/807993181.db2.gz AZTTZNHGKIKXSE-AWEZNQCLSA-N 0 3 266.360 2.495 20 10 CECDHN CC(=O)N1CCCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203555914 808696703 /nfs/dbraw/zinc/69/67/03/808696703.db2.gz JYJXXBSJPWCXRB-QGZVFWFLSA-N 0 3 288.391 2.369 20 10 CECDHN CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555914 808696710 /nfs/dbraw/zinc/69/67/10/808696710.db2.gz JYJXXBSJPWCXRB-QGZVFWFLSA-N 0 3 288.391 2.369 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC001203557106 808701141 /nfs/dbraw/zinc/70/11/41/808701141.db2.gz ZDAVMESMQFLTGP-YPMHNXCESA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC001203557106 808701145 /nfs/dbraw/zinc/70/11/45/808701145.db2.gz ZDAVMESMQFLTGP-YPMHNXCESA-N 0 3 263.337 2.166 20 10 CECDHN C[C@@H](CNCc1cc(F)cc(F)c1[O-])C[NH+]1CCCC1 ZINC000708557818 809945656 /nfs/dbraw/zinc/94/56/56/809945656.db2.gz BOVDMHMLCFEITG-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C(C)C)N(C)C ZINC000115489892 810593519 /nfs/dbraw/zinc/59/35/19/810593519.db2.gz QLECWVFUNSBLCG-MRXNPFEDSA-N 0 3 291.439 2.263 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)c([O-])c1 ZINC000379242022 810689204 /nfs/dbraw/zinc/68/92/04/810689204.db2.gz XNNLMMFHLWSAPJ-NHYWBVRUSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000379501895 811050131 /nfs/dbraw/zinc/05/01/31/811050131.db2.gz WWQPNGIJJIBBJI-VHSXEESVSA-N 0 3 254.761 2.228 20 10 CECDHN CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC001169349788 811487055 /nfs/dbraw/zinc/48/70/55/811487055.db2.gz QSHUHPGLZRGEAM-TYNCELHUSA-N 0 3 293.363 2.154 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001169483775 811528807 /nfs/dbraw/zinc/52/88/07/811528807.db2.gz GLSRKIFYOSYKIS-CYBMUJFWSA-N 0 3 290.407 2.397 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001169483775 811528816 /nfs/dbraw/zinc/52/88/16/811528816.db2.gz GLSRKIFYOSYKIS-CYBMUJFWSA-N 0 3 290.407 2.397 20 10 CECDHN CC(C)OC(=O)CC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172744038 815500149 /nfs/dbraw/zinc/50/01/49/815500149.db2.gz MXHJPJBEFHKIEV-LLVKDONJSA-N 0 3 281.352 2.308 20 10 CECDHN CCc1cccc(CNCc2cc(C)nn2C)c1O ZINC000691439543 814593449 /nfs/dbraw/zinc/59/34/49/814593449.db2.gz ZGQLAMUXUFRDAM-UHFFFAOYSA-N 0 3 259.353 2.286 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCCS(C)(=O)=O)c([O-])c1 ZINC000692842056 814610957 /nfs/dbraw/zinc/61/09/57/814610957.db2.gz LDLRKGQUDSZEEH-LBPRGKRZSA-N 0 3 285.409 2.176 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000694778791 814637042 /nfs/dbraw/zinc/63/70/42/814637042.db2.gz YIOUTEFJQHGMPY-NWDGAFQWSA-N 0 3 283.393 2.010 20 10 CECDHN Cc1c(CN2CCN(C)CC2)c2ccccc2n1C ZINC001138252478 815754850 /nfs/dbraw/zinc/75/48/50/815754850.db2.gz IDSNDBSZKCBKAO-UHFFFAOYSA-N 0 3 257.381 2.234 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC2(COC2)C1 ZINC001140063651 816182668 /nfs/dbraw/zinc/18/26/68/816182668.db2.gz UQIYHKKBBQQSGA-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC2(COC2)C1 ZINC001140063651 816182672 /nfs/dbraw/zinc/18/26/72/816182672.db2.gz UQIYHKKBBQQSGA-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN CN1CC[C@@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140466179 816262187 /nfs/dbraw/zinc/26/21/87/816262187.db2.gz ACSRVSAAPHVBJH-GFCCVEGCSA-N 0 3 254.761 2.182 20 10 CECDHN CN1CC[C@@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140466179 816262191 /nfs/dbraw/zinc/26/21/91/816262191.db2.gz ACSRVSAAPHVBJH-GFCCVEGCSA-N 0 3 254.761 2.182 20 10 CECDHN CN1CC[C@H]([N@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140466180 816262530 /nfs/dbraw/zinc/26/25/30/816262530.db2.gz ACSRVSAAPHVBJH-LBPRGKRZSA-N 0 3 254.761 2.182 20 10 CECDHN CN1CC[C@H]([N@@H+](C)Cc2ccc(Cl)cc2[O-])C1 ZINC001140466180 816262534 /nfs/dbraw/zinc/26/25/34/816262534.db2.gz ACSRVSAAPHVBJH-LBPRGKRZSA-N 0 3 254.761 2.182 20 10 CECDHN [NH3+]C[C@H]1CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001206623902 816418181 /nfs/dbraw/zinc/41/81/81/816418181.db2.gz QNLPVCZEQAZOAM-SNVBAGLBSA-N 0 3 270.323 2.231 20 10 CECDHN CCN1CCN(Cc2ccc3c(c2)OCCN3C)[C@H](C)C1 ZINC001141146487 816486859 /nfs/dbraw/zinc/48/68/59/816486859.db2.gz XFSNEKVIXBTTPM-CQSZACIVSA-N 0 3 289.423 2.041 20 10 CECDHN CCCCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141158532 816490885 /nfs/dbraw/zinc/49/08/85/816490885.db2.gz CUFWUGAUTPHQJH-UHFFFAOYSA-N 0 3 264.369 2.016 20 10 CECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1C ZINC000280901005 344674751 /nfs/dbraw/zinc/67/47/51/344674751.db2.gz OLBXEXJWSOVKNL-DYEKYZERSA-N 0 3 277.364 2.460 20 10 CECDHN Cc1cn[nH]c1CN(C)Cc1ccc(N(C)C)cc1 ZINC000284034305 344677978 /nfs/dbraw/zinc/67/79/78/344677978.db2.gz LIXXMVALAGJTNJ-UHFFFAOYSA-N 0 3 258.369 2.416 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@@H]3C1)OCO2 ZINC000129050413 365820368 /nfs/dbraw/zinc/82/03/68/365820368.db2.gz UIPHSDPSGPAAGP-BXUZGUMPSA-N 0 3 291.347 2.122 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3OCCC[C@@H]3C1)OCO2 ZINC000129050413 365820370 /nfs/dbraw/zinc/82/03/70/365820370.db2.gz UIPHSDPSGPAAGP-BXUZGUMPSA-N 0 3 291.347 2.122 20 10 CECDHN COc1cccc(CN2CCN(C3CCCC3)CC2)c1O ZINC000133882138 366264531 /nfs/dbraw/zinc/26/45/31/366264531.db2.gz CFDSNIGBIVOXPF-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134244066 366302614 /nfs/dbraw/zinc/30/26/14/366302614.db2.gz BPCQPYGYXPKMLB-KWBADKCTSA-N 0 3 251.326 2.229 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000092098758 364075592 /nfs/dbraw/zinc/07/55/92/364075592.db2.gz ZKKNPMDQPLVJQX-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093813955 364230676 /nfs/dbraw/zinc/23/06/76/364230676.db2.gz KKXKDNCQMZOAIE-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093813955 364230680 /nfs/dbraw/zinc/23/06/80/364230680.db2.gz KKXKDNCQMZOAIE-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN CCCOc1ccc(C[NH2+]CC(C)(C)O)c([O-])c1 ZINC000111385901 364732595 /nfs/dbraw/zinc/73/25/95/364732595.db2.gz PGUALBNGUNGURD-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000113343727 364888637 /nfs/dbraw/zinc/88/86/37/364888637.db2.gz ZFRQKAUAGIWYJI-ZDUSSCGKSA-N 0 3 292.379 2.491 20 10 CECDHN Cc1ccc(O)c(CN[C@H](C)C(=O)NCc2ccco2)c1 ZINC000113341287 364888679 /nfs/dbraw/zinc/88/86/79/364888679.db2.gz LEVFDJPQERZJPR-GFCCVEGCSA-N 0 3 288.347 2.088 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccccc3O)[C@H]2C1 ZINC000245629245 370851694 /nfs/dbraw/zinc/85/16/94/370851694.db2.gz UQUXZCHFSJBNDS-YCPHGPKFSA-N 0 3 277.364 2.161 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167467315 367340341 /nfs/dbraw/zinc/34/03/41/367340341.db2.gz MTLSXTRHMBKFLG-VGTOOOLASA-N 0 3 255.383 2.200 20 10 CECDHN CCC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168771354 367360305 /nfs/dbraw/zinc/36/03/05/367360305.db2.gz DGXDICSGKLLZNU-MNOVXSKESA-N 0 3 253.342 2.212 20 10 CECDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC000179585543 368343248 /nfs/dbraw/zinc/34/32/48/368343248.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 0 3 260.381 2.451 20 10 CECDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC000179585543 368343251 /nfs/dbraw/zinc/34/32/51/368343251.db2.gz OYYXGZIGBVBSKV-CABCVRRESA-N 0 3 260.381 2.451 20 10 CECDHN Cc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC000179665590 368346703 /nfs/dbraw/zinc/34/67/03/368346703.db2.gz DFQSUDWWQNBSGY-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000185361491 368797413 /nfs/dbraw/zinc/79/74/13/368797413.db2.gz PBRAKAYAEDEUGD-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2cccc(C)c2[O-])C1(C)C ZINC000188908072 369427654 /nfs/dbraw/zinc/42/76/54/369427654.db2.gz VREXSYRLETYNSF-WMLDXEAASA-N 0 3 293.407 2.356 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189958846 369583585 /nfs/dbraw/zinc/58/35/85/369583585.db2.gz RBFISSNDQXNUTJ-IUODEOHRSA-N 0 3 279.380 2.432 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(Cn3cncn3)CC2)c1 ZINC000189981312 369584260 /nfs/dbraw/zinc/58/42/60/369584260.db2.gz YCCCTNXOXSPIDP-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CSCCS1 ZINC000226614605 370348589 /nfs/dbraw/zinc/34/85/89/370348589.db2.gz JKGNFGXNRAWPNN-LLVKDONJSA-N 0 3 273.398 2.470 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271265886 373187213 /nfs/dbraw/zinc/18/72/13/373187213.db2.gz LWXZFXDKTSYYTR-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271265886 373187216 /nfs/dbraw/zinc/18/72/16/373187216.db2.gz LWXZFXDKTSYYTR-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCO[C@@H](C)C2)cc1OC ZINC000271819342 373204591 /nfs/dbraw/zinc/20/45/91/373204591.db2.gz MOFDNVYTUHSNHT-NWDGAFQWSA-N 0 3 295.379 2.314 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)CC2(O)CCCC2)c1 ZINC000271901317 373207406 /nfs/dbraw/zinc/20/74/06/373207406.db2.gz ZHEYVVKNEHYZPG-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)CC2(O)CCCC2)c1 ZINC000271901317 373207414 /nfs/dbraw/zinc/20/74/14/373207414.db2.gz ZHEYVVKNEHYZPG-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CN1CC[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000272611758 373580533 /nfs/dbraw/zinc/58/05/33/373580533.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@H]2C1 ZINC000272611758 373580538 /nfs/dbraw/zinc/58/05/38/373580538.db2.gz KMDFKDDCTRXLOP-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1C ZINC000273530778 373762203 /nfs/dbraw/zinc/76/22/03/373762203.db2.gz WEKUWDGFIOACTD-CZUORRHYSA-N 0 3 293.407 2.447 20 10 CECDHN Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1[O-] ZINC000371425129 373877200 /nfs/dbraw/zinc/87/72/00/373877200.db2.gz RCQSJWPMAGRXDX-YUELXQCFSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1[O-] ZINC000371425129 373877205 /nfs/dbraw/zinc/87/72/05/373877205.db2.gz RCQSJWPMAGRXDX-YUELXQCFSA-N 0 3 288.391 2.319 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912846 /nfs/dbraw/zinc/91/28/46/373912846.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371529026 373912852 /nfs/dbraw/zinc/91/28/52/373912852.db2.gz PPKACNFRBXHLQR-VNQPRFMTSA-N 0 3 290.382 2.447 20 10 CECDHN CCOC(=O)N1CC[C@H](NCc2ccc(OC)c(C)c2)C1 ZINC000274411854 373913410 /nfs/dbraw/zinc/91/34/10/373913410.db2.gz DQSBODXHLROBIX-AWEZNQCLSA-N 0 3 292.379 2.324 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590895 374162901 /nfs/dbraw/zinc/16/29/01/374162901.db2.gz GTCOYTZCWNGZMW-VXGBXAGGSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590895 374162908 /nfs/dbraw/zinc/16/29/08/374162908.db2.gz GTCOYTZCWNGZMW-VXGBXAGGSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc(O)c([C@@H](C)N2CC[C@@H](n3cncn3)C2)c1 ZINC000372590895 374162917 /nfs/dbraw/zinc/16/29/17/374162917.db2.gz GTCOYTZCWNGZMW-VXGBXAGGSA-N 0 3 288.351 2.000 20 10 CECDHN CN(C)c1ccc(C2=CCN(CCn3ccnc3)C2)cc1 ZINC000374781373 374629749 /nfs/dbraw/zinc/62/97/49/374629749.db2.gz NYBILBWHRPRMNX-UHFFFAOYSA-N 0 3 282.391 2.348 20 10 CECDHN COCC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000281726193 375393846 /nfs/dbraw/zinc/39/38/46/375393846.db2.gz UVMRRJBNWIPSIL-CHWSQXEVSA-N 0 3 267.369 2.057 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000281236568 375365777 /nfs/dbraw/zinc/36/57/77/375365777.db2.gz VAVZKDVZAIVZLM-LBPRGKRZSA-N 0 3 297.420 2.319 20 10 CECDHN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000284415590 375827954 /nfs/dbraw/zinc/82/79/54/375827954.db2.gz QMHTWGDAJDUUCQ-NVBFEUDRSA-N 0 3 299.386 2.340 20 10 CECDHN CC[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285929060 375845957 /nfs/dbraw/zinc/84/59/57/375845957.db2.gz FDNXTSCFLNXTFT-CQSZACIVSA-N 0 3 296.386 2.029 20 10 CECDHN CCOC1CC([N@H+](C)Cc2cc3c(cc2[O-])OCO3)C1 ZINC000288401357 376377058 /nfs/dbraw/zinc/37/70/58/376377058.db2.gz BKTLVBKGLXLHLT-UHFFFAOYSA-N 0 3 279.336 2.120 20 10 CECDHN CCOC1CC([N@@H+](C)Cc2cc3c(cc2[O-])OCO3)C1 ZINC000288401357 376377062 /nfs/dbraw/zinc/37/70/62/376377062.db2.gz BKTLVBKGLXLHLT-UHFFFAOYSA-N 0 3 279.336 2.120 20 10 CECDHN Cc1c2ccccc2n(C)c1CNC(=O)CN1CC[C@H](C)C1 ZINC000565201506 377602391 /nfs/dbraw/zinc/60/23/91/377602391.db2.gz MGFWPXLSEVHZTJ-ZDUSSCGKSA-N 0 3 299.418 2.445 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1C ZINC000293793328 377760215 /nfs/dbraw/zinc/76/02/15/377760215.db2.gz UMEUSHLCLFAIKA-ZDUSSCGKSA-N 0 3 288.395 2.421 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H]2CCCNC2=O)cc1 ZINC000296325594 378491678 /nfs/dbraw/zinc/49/16/78/378491678.db2.gz GZSJMNQBHQBLAG-DOMZBBRYSA-N 0 3 275.396 2.072 20 10 CECDHN CN(C)CCN(C(=O)C=Cc1c[nH]cn1)c1ccccc1 ZINC000492808181 380696445 /nfs/dbraw/zinc/69/64/45/380696445.db2.gz COCLXGOTDBOJTA-HJWRWDBZSA-N 0 3 284.363 2.018 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000036932531 260052249 /nfs/dbraw/zinc/05/22/49/260052249.db2.gz MCRDXJBHDAOPEN-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(N3CCCC3=O)CC2)c1 ZINC000093088313 394665177 /nfs/dbraw/zinc/66/51/77/394665177.db2.gz VACGDVKXIHMPGS-UHFFFAOYSA-N 0 3 288.391 2.287 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCOC2)c1 ZINC000109543438 394734063 /nfs/dbraw/zinc/73/40/63/394734063.db2.gz SHKJFJVIAQSZNN-WDEREUQCSA-N 0 3 251.326 2.230 20 10 CECDHN COCCn1cc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000281912998 394874487 /nfs/dbraw/zinc/87/44/87/394874487.db2.gz ACYQZNGRUKBCOG-GFCCVEGCSA-N 0 3 275.352 2.086 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@H]23)c1[O-] ZINC000124709126 394839912 /nfs/dbraw/zinc/83/99/12/394839912.db2.gz IYDYLPIRXCNAFK-HUUCEWRRSA-N 0 3 260.381 2.417 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1OC ZINC000362240330 394849931 /nfs/dbraw/zinc/84/99/31/394849931.db2.gz VEDDMMDRWNNPNZ-WBMJQRKESA-N 0 3 293.363 2.067 20 10 CECDHN COc1ccc(O)c(CN(C)C[C@@H]2CCCCO2)c1 ZINC000132602803 394933875 /nfs/dbraw/zinc/93/38/75/394933875.db2.gz BYCSAXVJTOSZJV-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1cc(C)n(CCC[NH2+]Cc2ccccc2[O-])n1 ZINC000134225540 394956451 /nfs/dbraw/zinc/95/64/51/394956451.db2.gz XLBWBPLSRDYORQ-UHFFFAOYSA-N 0 3 259.353 2.385 20 10 CECDHN COCCC[N@H+](CCOC)Cc1cc(C)ccc1[O-] ZINC000133088788 394943917 /nfs/dbraw/zinc/94/39/17/394943917.db2.gz QVEHFXLDRQIFNB-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COCCC[N@@H+](CCOC)Cc1cc(C)ccc1[O-] ZINC000133088788 394943921 /nfs/dbraw/zinc/94/39/21/394943921.db2.gz QVEHFXLDRQIFNB-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@H]3OCC[C@H]32)c1 ZINC000373491241 395062081 /nfs/dbraw/zinc/06/20/81/395062081.db2.gz ULGNTMVNWDIQHA-UKRRQHHQSA-N 0 3 263.337 2.154 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)OCCO)c1 ZINC000287144170 395034764 /nfs/dbraw/zinc/03/47/64/395034764.db2.gz AUYJURBQZQDIAM-GFCCVEGCSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1cccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c1[O-] ZINC000158101698 395037729 /nfs/dbraw/zinc/03/77/29/395037729.db2.gz LTAYGDAPARRYHM-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2(C3CC3)CCOCC2)c1 ZINC000376385233 395118848 /nfs/dbraw/zinc/11/88/48/395118848.db2.gz KOALVURLJZJODZ-UHFFFAOYSA-N 0 3 277.364 2.450 20 10 CECDHN C[NH+](C)[C@H]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000375943545 395104270 /nfs/dbraw/zinc/10/42/70/395104270.db2.gz VSQNDTMWWZIMMZ-AWEZNQCLSA-N 0 3 266.360 2.447 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183243455 395254743 /nfs/dbraw/zinc/25/47/43/395254743.db2.gz IISKKMNJWMIFSX-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000183243455 395254746 /nfs/dbraw/zinc/25/47/46/395254746.db2.gz IISKKMNJWMIFSX-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN O=C1C[C@@H](c2ccccc2)[N@H+](Cc2ccccc2[O-])CCN1 ZINC000179561426 395195167 /nfs/dbraw/zinc/19/51/67/395195167.db2.gz GFFBXMYBMFSMOB-INIZCTEOSA-N 0 3 296.370 2.455 20 10 CECDHN O=C1C[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2[O-])CCN1 ZINC000179561426 395195171 /nfs/dbraw/zinc/19/51/71/395195171.db2.gz GFFBXMYBMFSMOB-INIZCTEOSA-N 0 3 296.370 2.455 20 10 CECDHN COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1[O-] ZINC000293051283 395215877 /nfs/dbraw/zinc/21/58/77/395215877.db2.gz ROFZXTVBLPTHPK-ABAIWWIYSA-N 0 3 265.353 2.042 20 10 CECDHN CCOC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000183463462 395257421 /nfs/dbraw/zinc/25/74/21/395257421.db2.gz UQYOZOPRNJQVBV-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)C1CCN(Cc2cccc(C)c2O)CC1 ZINC000183463462 395257430 /nfs/dbraw/zinc/25/74/30/395257430.db2.gz UQYOZOPRNJQVBV-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN Oc1ccccc1CN1CCN(Cc2cccnc2)CC1 ZINC000183666782 395261360 /nfs/dbraw/zinc/26/13/60/395261360.db2.gz OAJCKVKSWQSQPZ-UHFFFAOYSA-N 0 3 283.375 2.105 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](OC)C2)c1[O-] ZINC000091772489 260266579 /nfs/dbraw/zinc/26/65/79/260266579.db2.gz JSRWOMYPLMBWJW-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](OC)C2)c1[O-] ZINC000091772489 260266580 /nfs/dbraw/zinc/26/65/80/260266580.db2.gz JSRWOMYPLMBWJW-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(CN2CCC[C@@H](OC)C2)c1O ZINC000091772489 260266582 /nfs/dbraw/zinc/26/65/82/260266582.db2.gz JSRWOMYPLMBWJW-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153134732 261073479 /nfs/dbraw/zinc/07/34/79/261073479.db2.gz JMTZGAJMTPDQLX-XBXGTLAGSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCC(O)CC1)c1ccccc1[O-] ZINC000155280292 261100094 /nfs/dbraw/zinc/10/00/94/261100094.db2.gz CVAKHGFATHGFKO-INIZCTEOSA-N 0 3 292.423 2.280 20 10 CECDHN COc1cc(O)c(CN(C)C[C@H]2CCCCO2)cc1OC ZINC000159920400 261198364 /nfs/dbraw/zinc/19/83/64/261198364.db2.gz UJOZLJAFICBZCU-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CC[C@H](NCC(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000160953634 261232906 /nfs/dbraw/zinc/23/29/06/261232906.db2.gz YMJPHAWQFDQAFY-HNNXBMFYSA-N 0 3 277.412 2.318 20 10 CECDHN CNC(=O)[C@@H]1CCCCN1Cc1cc(C)c(C)cc1O ZINC000179335567 261779642 /nfs/dbraw/zinc/77/96/42/261779642.db2.gz VJTKONLUYOSGDY-AWEZNQCLSA-N 0 3 276.380 2.110 20 10 CECDHN CCN1CCN(CCC[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183416263 261974584 /nfs/dbraw/zinc/97/45/84/261974584.db2.gz UEWZQBPZJUVEJE-OAHLLOKOSA-N 0 3 291.439 2.070 20 10 CECDHN C[C@@H]([NH2+]CCCN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000184889269 262032530 /nfs/dbraw/zinc/03/25/30/262032530.db2.gz VBMRPSHUHARORF-LLVKDONJSA-N 0 3 280.343 2.194 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185264699 262048417 /nfs/dbraw/zinc/04/84/17/262048417.db2.gz BFKRZGGCRCHLSG-GFCCVEGCSA-N 0 3 290.407 2.400 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185512206 262057829 /nfs/dbraw/zinc/05/78/29/262057829.db2.gz RZFVVKSISSIFOP-IGJMFERPSA-N 0 3 273.373 2.294 20 10 CECDHN C[C@@H]([NH2+]C[C@]1(O)CCSC1)c1cc(F)ccc1[O-] ZINC000185639561 262063408 /nfs/dbraw/zinc/06/34/08/262063408.db2.gz MEQISNCSZHHUNA-NOZJJQNGSA-N 0 3 271.357 2.050 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186203080 262084739 /nfs/dbraw/zinc/08/47/39/262084739.db2.gz YKBYBKNKYOZDON-DOMZBBRYSA-N 0 3 293.407 2.319 20 10 CECDHN Cc1ncc(/C=C\C(=O)N2C[C@H](N)Cc3ccccc32)s1 ZINC000493334431 262148959 /nfs/dbraw/zinc/14/89/59/262148959.db2.gz KDCJLSCODHZXKZ-FMFIFOJESA-N 0 3 299.399 2.381 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)c([O-])c1 ZINC000185194368 262302151 /nfs/dbraw/zinc/30/21/51/262302151.db2.gz FCJLHLQTPWNDEP-LBPRGKRZSA-N 0 3 264.369 2.220 20 10 CECDHN C[C@H](O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543281 263006189 /nfs/dbraw/zinc/00/61/89/263006189.db2.gz PPNXEPSESJJJMF-AAEUAGOBSA-N 0 3 266.360 2.094 20 10 CECDHN COc1cccc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1[O-] ZINC000291241882 263120974 /nfs/dbraw/zinc/12/09/74/263120974.db2.gz LHNRZCKBKRKRPA-CYBMUJFWSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1[O-] ZINC000291241882 263120975 /nfs/dbraw/zinc/12/09/75/263120975.db2.gz LHNRZCKBKRKRPA-CYBMUJFWSA-N 0 3 265.353 2.400 20 10 CECDHN O[C@H]1c2ccccc2OC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000288528428 264684219 /nfs/dbraw/zinc/68/42/19/264684219.db2.gz JYASRZLQXVCRQN-QAPCUYQASA-N 0 3 297.354 2.206 20 10 CECDHN Cn1cc(C[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)cn1 ZINC000367440847 267090328 /nfs/dbraw/zinc/09/03/28/267090328.db2.gz LWEGPIUGHDRDBP-CYBMUJFWSA-N 0 3 271.364 2.190 20 10 CECDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cn1 ZINC000367440847 267090329 /nfs/dbraw/zinc/09/03/29/267090329.db2.gz LWEGPIUGHDRDBP-CYBMUJFWSA-N 0 3 271.364 2.190 20 10 CECDHN COc1ccc(O)c([C@H](C)N(C)[C@H]2CCCCNC2=O)c1 ZINC000368015242 267135193 /nfs/dbraw/zinc/13/51/93/267135193.db2.gz CIUAWWBWTXQVNR-FZMZJTMJSA-N 0 3 292.379 2.062 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)cc1C ZINC000377272320 268063131 /nfs/dbraw/zinc/06/31/31/268063131.db2.gz BLQAYBTWSHZDKF-WMLDXEAASA-N 0 3 291.391 2.389 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000271244781 275050351 /nfs/dbraw/zinc/05/03/51/275050351.db2.gz BTQIQXLTBQMDFW-INIZCTEOSA-N 0 3 269.344 2.484 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCc2ccccc2[C@@H]1CO ZINC000271244781 275050352 /nfs/dbraw/zinc/05/03/52/275050352.db2.gz BTQIQXLTBQMDFW-INIZCTEOSA-N 0 3 269.344 2.484 20 10 CECDHN CCO[C@@H]1C[C@H](NCc2ccc(N(C)C)c(F)c2)[C@H]1OC ZINC000272683495 276353107 /nfs/dbraw/zinc/35/31/07/276353107.db2.gz TWIOIYQQONZKDW-NUEKZKHPSA-N 0 3 296.386 2.174 20 10 CECDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000182626609 327814528 /nfs/dbraw/zinc/81/45/28/327814528.db2.gz OJNODSQHACWUPK-HNNXBMFYSA-N 0 3 283.368 2.050 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000295006882 327593128 /nfs/dbraw/zinc/59/31/28/327593128.db2.gz JCGVNXQMAAGQLO-LLVKDONJSA-N 0 3 267.369 2.430 20 10 CECDHN CO[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000378628094 329056877 /nfs/dbraw/zinc/05/68/77/329056877.db2.gz CFNBYYPGXZNZAI-GFCCVEGCSA-N 0 3 279.336 2.122 20 10 CECDHN CO[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000378628094 329056878 /nfs/dbraw/zinc/05/68/78/329056878.db2.gz CFNBYYPGXZNZAI-GFCCVEGCSA-N 0 3 279.336 2.122 20 10 CECDHN Cc1cc(N2CCN(Cc3cccc(C)c3O)CC2)n[nH]1 ZINC000189023581 329375094 /nfs/dbraw/zinc/37/50/94/329375094.db2.gz NVEXLAKGIPFRJJ-UHFFFAOYSA-N 0 3 286.379 2.054 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000226582982 333265307 /nfs/dbraw/zinc/26/53/07/333265307.db2.gz OZYSBXQBIVIDKW-AWEZNQCLSA-N 0 3 283.343 2.207 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@H]1CCCCO1)OCO2 ZINC000227338511 333280954 /nfs/dbraw/zinc/28/09/54/333280954.db2.gz BDEZBPRDCZTRLN-GFCCVEGCSA-N 0 3 279.336 2.170 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCSCC2)c([O-])c1 ZINC000230661671 333320026 /nfs/dbraw/zinc/32/00/26/333320026.db2.gz OHWRKQQGIHETDN-ZDUSSCGKSA-N 0 3 280.437 2.400 20 10 CECDHN O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000134230635 334085150 /nfs/dbraw/zinc/08/51/50/334085150.db2.gz PCZCMSNAILIZFJ-ZDUSSCGKSA-N 0 3 270.332 2.248 20 10 CECDHN CCOC(CC[NH2+]Cc1cc(F)ccc1[O-])OCC ZINC000276153572 521629310 /nfs/dbraw/zinc/62/93/10/521629310.db2.gz GURUYCVOXFCOCS-UHFFFAOYSA-N 0 3 271.332 2.410 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(C(C)C)CC2)c1 ZINC000127033836 521143067 /nfs/dbraw/zinc/14/30/67/521143067.db2.gz MUDQPSDCXDRACE-UHFFFAOYSA-N 0 3 278.396 2.317 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CC)C(C)(C)O)c1[O-] ZINC000293011473 521370104 /nfs/dbraw/zinc/37/01/04/521370104.db2.gz NZOXHMFNZWWOGV-ZDUSSCGKSA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000037155468 521371230 /nfs/dbraw/zinc/37/12/30/521371230.db2.gz LBTXUTDYONWZAA-LBPRGKRZSA-N 0 3 275.352 2.166 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C)cc1[O-] ZINC000279973792 522757163 /nfs/dbraw/zinc/75/71/63/522757163.db2.gz DDTHQZBRRHJPMY-HOCLYGCPSA-N 0 3 292.423 2.462 20 10 CECDHN COCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000292220305 522808923 /nfs/dbraw/zinc/80/89/23/522808923.db2.gz ABFJXXKMHOKYDT-UHFFFAOYSA-N 0 3 283.368 2.172 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C)cc1[O-] ZINC000279990259 522922191 /nfs/dbraw/zinc/92/21/91/522922191.db2.gz FGUZHFRIMZETNF-ZIAGYGMSSA-N 0 3 276.380 2.410 20 10 CECDHN CO[C@@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000289591477 523406925 /nfs/dbraw/zinc/40/69/25/523406925.db2.gz KMITUAPIKZGEFU-NSHDSACASA-N 0 3 254.349 2.358 20 10 CECDHN CNC(=O)[C@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000291928574 524099771 /nfs/dbraw/zinc/09/97/71/524099771.db2.gz ONCXHISWHWKSFL-QWRGUYRKSA-N 0 3 276.380 2.056 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2cccnc2)c1 ZINC000037717968 524754241 /nfs/dbraw/zinc/75/42/41/524754241.db2.gz DKGIFNYPOHIWCU-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCc2nnc(C)s2)c1 ZINC000289659585 524768205 /nfs/dbraw/zinc/76/82/05/524768205.db2.gz GPWPDCNHWUFARS-VIFPVBQESA-N 0 3 293.392 2.454 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(C3OCCO3)CC2)c1 ZINC000130110407 525339339 /nfs/dbraw/zinc/33/93/39/525339339.db2.gz SWJLBENLYGUUJW-UHFFFAOYSA-N 0 3 277.364 2.286 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)c2ccc(C)o2)c1[O-] ZINC000265971692 526021277 /nfs/dbraw/zinc/02/12/77/526021277.db2.gz KZSXTAUFZFMORX-LBPRGKRZSA-N 0 3 277.320 2.125 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000037648365 526373410 /nfs/dbraw/zinc/37/34/10/526373410.db2.gz BEEVKVXFMWCBET-LLVKDONJSA-N 0 3 288.313 2.366 20 10 CECDHN CC[C@@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000296345193 529207229 /nfs/dbraw/zinc/20/72/29/529207229.db2.gz IAJXUDMGUWMONS-CABCVRRESA-N 0 3 275.396 2.072 20 10 CECDHN CCC[N@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000727831087 574456987 /nfs/dbraw/zinc/45/69/87/574456987.db2.gz HKEFFSIFTVSEPZ-UHFFFAOYSA-N 0 3 286.375 2.466 20 10 CECDHN CCC[N@@H+](CCn1ccccc1=O)Cc1ccccc1[O-] ZINC000727831087 574456988 /nfs/dbraw/zinc/45/69/88/574456988.db2.gz HKEFFSIFTVSEPZ-UHFFFAOYSA-N 0 3 286.375 2.466 20 10 CECDHN C[C@@H](CO)NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000742383098 575019237 /nfs/dbraw/zinc/01/92/37/575019237.db2.gz SRALPTCUAXQEMP-LBPRGKRZSA-N 0 3 293.367 2.056 20 10 CECDHN C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000745855150 575144939 /nfs/dbraw/zinc/14/49/39/575144939.db2.gz RYUCAHZLEAAWJD-TZMCWYRMSA-N 0 3 291.395 2.016 20 10 CECDHN CC[S@@](=O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168766030 627686788 /nfs/dbraw/zinc/68/67/88/627686788.db2.gz QPJAIIJCWRGOGF-DIFFPNOSSA-N 0 3 255.383 2.120 20 10 CECDHN CC(=O)N1CCN(Cc2cc(C)c(C)cc2O)C(C)(C)C1 ZINC000182086864 628143699 /nfs/dbraw/zinc/14/36/99/628143699.db2.gz MGINSZUTBOBWOM-UHFFFAOYSA-N 0 3 290.407 2.452 20 10 CECDHN C[C@H]([NH2+][C@@H](C)[C@H](C)N1CCOCC1)c1ccccc1[O-] ZINC000248384380 629141636 /nfs/dbraw/zinc/14/16/36/629141636.db2.gz DRWMFKZCMWEPPH-IHRRRGAJSA-N 0 3 278.396 2.152 20 10 CECDHN Cc1ccnc(N)c1CNCc1ccc(N(C)C)cc1 ZINC000894161534 629176088 /nfs/dbraw/zinc/17/60/88/629176088.db2.gz VMDBDFHLCGFNIO-UHFFFAOYSA-N 0 3 270.380 2.328 20 10 CECDHN CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C)cc1[O-] ZINC000794808341 629325862 /nfs/dbraw/zinc/32/58/62/629325862.db2.gz ABCLMZIZJQSCCJ-AWEZNQCLSA-N 0 3 299.374 2.435 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894798524 629646683 /nfs/dbraw/zinc/64/66/83/629646683.db2.gz FENKRFDBADRKGY-HNNXBMFYSA-N 0 3 281.352 2.034 20 10 CECDHN CCOCc1cc(CNC[C@@H]2CC(C)=NO2)ccc1OC ZINC000895309518 630098225 /nfs/dbraw/zinc/09/82/25/630098225.db2.gz BUTHOTJFQJOZLH-HNNXBMFYSA-N 0 3 292.379 2.486 20 10 CECDHN FCC1(NCc2ccc3c(c2)CCO3)CCOCC1 ZINC000824690863 635479058 /nfs/dbraw/zinc/47/90/58/635479058.db2.gz ONZVDYBRMQDMMV-UHFFFAOYSA-N 0 3 265.328 2.230 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173554 630970924 /nfs/dbraw/zinc/97/09/24/630970924.db2.gz WYAIVXIGDJKDSX-HNNXBMFYSA-N 0 3 291.391 2.146 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173554 630970926 /nfs/dbraw/zinc/97/09/26/630970926.db2.gz WYAIVXIGDJKDSX-HNNXBMFYSA-N 0 3 291.391 2.146 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](C)[C@H](O)C2)cc1F ZINC000897683359 631868769 /nfs/dbraw/zinc/86/87/69/631868769.db2.gz CCEMDFFMKVOQDR-BLLLJJGKSA-N 0 3 280.387 2.485 20 10 CECDHN COC(=O)N1CC([NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706744 632002768 /nfs/dbraw/zinc/00/27/68/632002768.db2.gz SPZGDKQMFLFXPN-SECBINFHSA-N 0 3 298.770 2.455 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(C)cc1[O-] ZINC000926982794 632403536 /nfs/dbraw/zinc/40/35/36/632403536.db2.gz RQWRKYMGMUNMNF-TZMCWYRMSA-N 0 3 276.380 2.268 20 10 CECDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000811600677 632406480 /nfs/dbraw/zinc/40/64/80/632406480.db2.gz LBAARMLLGVZNHO-SNVBAGLBSA-N 0 3 270.398 2.304 20 10 CECDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc([O-])cs1 ZINC000811600677 632406481 /nfs/dbraw/zinc/40/64/81/632406481.db2.gz LBAARMLLGVZNHO-SNVBAGLBSA-N 0 3 270.398 2.304 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000815012798 632949870 /nfs/dbraw/zinc/94/98/70/632949870.db2.gz NWLZDHCAVPTNJQ-UHFFFAOYSA-N 0 3 261.413 2.199 20 10 CECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cc[nH]c(=O)c1 ZINC000816639048 633453615 /nfs/dbraw/zinc/45/36/15/633453615.db2.gz GBBJRDMSYNQWNM-SECBINFHSA-N 0 3 262.284 2.483 20 10 CECDHN COC[C@]1(CN[C@@H](C)c2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000817975890 633818713 /nfs/dbraw/zinc/81/87/13/633818713.db2.gz ZFQJCUFJJWNQEJ-XHDPSFHLSA-N 0 3 298.814 2.465 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000818358539 633915896 /nfs/dbraw/zinc/91/58/96/633915896.db2.gz JKRBQEIVVNALIN-IQJOONFLSA-N 0 3 251.301 2.458 20 10 CECDHN O[C@H](CNCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819096545 634067554 /nfs/dbraw/zinc/06/75/54/634067554.db2.gz QEOONSGSQKGBTP-CYBMUJFWSA-N 0 3 286.297 2.076 20 10 CECDHN COc1cccc(CNCc2cncn2C(C)C)c1O ZINC000822481109 634927527 /nfs/dbraw/zinc/92/75/27/634927527.db2.gz JBYSZRJONDAOMH-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000903342013 635069329 /nfs/dbraw/zinc/06/93/29/635069329.db2.gz AREQRFXZVABMNJ-LSDHHAIUSA-N 0 3 290.407 2.080 20 10 CECDHN CCN1CCC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391977 635088630 /nfs/dbraw/zinc/08/86/30/635088630.db2.gz KDVIAXXSSDKXAP-XJKSGUPXSA-N 0 3 289.423 2.414 20 10 CECDHN CCN1CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000824484668 635435083 /nfs/dbraw/zinc/43/50/83/635435083.db2.gz PUXJCFLXLDCKFQ-UHFFFAOYSA-N 0 3 268.788 2.492 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1[O-] ZINC000824584266 635457736 /nfs/dbraw/zinc/45/77/36/635457736.db2.gz ZROUTIIPSNWWEM-ZBFHGGJFSA-N 0 3 292.423 2.280 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1OC)c1ccccc1[O-] ZINC000824710228 635483538 /nfs/dbraw/zinc/48/35/38/635483538.db2.gz VZSZYXYHEUFOTF-NOLJZWGESA-N 0 3 279.380 2.484 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1scnc1C ZINC000824733375 635487194 /nfs/dbraw/zinc/48/71/94/635487194.db2.gz QELTTXSNDUWTTP-UHFFFAOYSA-N 0 3 278.377 2.498 20 10 CECDHN CO[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000826822255 635854869 /nfs/dbraw/zinc/85/48/69/635854869.db2.gz OKXMCBWLTSOWJQ-BXUZGUMPSA-N 0 3 299.798 2.495 20 10 CECDHN C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(F)ccc1[O-] ZINC000834892241 637980132 /nfs/dbraw/zinc/98/01/32/637980132.db2.gz QUQDFQSLFZAMOR-BNOWGMLFSA-N 0 3 294.370 2.045 20 10 CECDHN CCOc1ccc(C[NH2+]CCc2cnc(C)cn2)c([O-])c1 ZINC000835061504 638044232 /nfs/dbraw/zinc/04/42/32/638044232.db2.gz MEZBLELHUBFRGF-UHFFFAOYSA-N 0 3 287.363 2.222 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([O-])c1 ZINC000876817880 650444873 /nfs/dbraw/zinc/44/48/73/650444873.db2.gz OHKSANDOZZQWKN-CABCVRRESA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c([O-])c1 ZINC000876817880 650444874 /nfs/dbraw/zinc/44/48/74/650444874.db2.gz OHKSANDOZZQWKN-CABCVRRESA-N 0 3 288.391 2.191 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000840825805 639553633 /nfs/dbraw/zinc/55/36/33/639553633.db2.gz MOTWYCXWAWUPDL-GXTWGEPZSA-N 0 3 276.380 2.268 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000840827025 639554680 /nfs/dbraw/zinc/55/46/80/639554680.db2.gz ZHLNGEOQCZQKJO-KYVBTAMFSA-N 0 3 281.327 2.083 20 10 CECDHN CO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000226613503 639556146 /nfs/dbraw/zinc/55/61/46/639556146.db2.gz GFCYOCWAXQRSML-QWHCGFSZSA-N 0 3 253.317 2.434 20 10 CECDHN C[C@@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062129 639638041 /nfs/dbraw/zinc/63/80/41/639638041.db2.gz GIHQKSQVCCJPBI-RKDXNWHRSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1C[NH2+]CC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000841063239 639638068 /nfs/dbraw/zinc/63/80/68/639638068.db2.gz GUKKFPVJXUEWPP-KCJUWKMLSA-N 0 3 272.751 2.272 20 10 CECDHN CC1([NH2+]Cc2cccc(Br)c2[O-])CCNCC1 ZINC000841065333 639640569 /nfs/dbraw/zinc/64/05/69/639640569.db2.gz OCCDELVVGJBDMU-UHFFFAOYSA-N 0 3 299.212 2.386 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCN(C)C2)c1[O-] ZINC000228671975 639651983 /nfs/dbraw/zinc/65/19/83/639651983.db2.gz WPDIWFNVPHYGKM-LBPRGKRZSA-N 0 3 284.787 2.238 20 10 CECDHN Cc1ccc(C[NH2+]CCC(=O)NC(C)(C)C)c([O-])c1 ZINC000877025782 650536579 /nfs/dbraw/zinc/53/65/79/650536579.db2.gz VYHUGRJYWGWXGT-UHFFFAOYSA-N 0 3 264.369 2.095 20 10 CECDHN CC[NH+](CC)[C@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000914069454 640212417 /nfs/dbraw/zinc/21/24/17/640212417.db2.gz WTCFXMZDUOGEIN-LLVKDONJSA-N 0 3 297.374 2.061 20 10 CECDHN C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Cl)c1[O-] ZINC000843058523 640261945 /nfs/dbraw/zinc/26/19/45/640261945.db2.gz VBMSODVKMFUOCS-ZJUUUORDSA-N 0 3 254.761 2.215 20 10 CECDHN CCc1nn(C)c(OC)c1CNCc1c(C)cccc1O ZINC000877135108 650589139 /nfs/dbraw/zinc/58/91/39/650589139.db2.gz PXZRRSRIRFLILY-UHFFFAOYSA-N 0 3 289.379 2.295 20 10 CECDHN Cc1ccc(CN2CCCC3(C2)OCCO3)c(O)c1 ZINC000877171867 650609589 /nfs/dbraw/zinc/60/95/89/650609589.db2.gz GTQTXXDMMSDSLS-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN COc1cccc([C@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141267 641199243 /nfs/dbraw/zinc/19/92/43/641199243.db2.gz HEQXJJMHCBHBDA-WDEREUQCSA-N 0 3 294.395 2.355 20 10 CECDHN COc1cccc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1O ZINC000846152879 641204572 /nfs/dbraw/zinc/20/45/72/641204572.db2.gz VGNNQNRUNDFKQD-DGCLKSJQSA-N 0 3 292.379 2.061 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[O-] ZINC000183317175 641726843 /nfs/dbraw/zinc/72/68/43/641726843.db2.gz BLLCSCYYPGPGEN-CQSZACIVSA-N 0 3 276.380 2.445 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000185791279 642029232 /nfs/dbraw/zinc/02/92/32/642029232.db2.gz ZNTZQFOTXADCFR-NWDGAFQWSA-N 0 3 285.409 2.174 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848564422 642055908 /nfs/dbraw/zinc/05/59/08/642055908.db2.gz NDFNKNCBLHAHFJ-VXGBXAGGSA-N 0 3 286.379 2.037 20 10 CECDHN CCc1cccc(CN2CC(c3nc(C)no3)C2)c1O ZINC000848914088 642188236 /nfs/dbraw/zinc/18/82/36/642188236.db2.gz DFOOTEUTDYJYLG-UHFFFAOYSA-N 0 3 273.336 2.245 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1ccc(C)cc1O ZINC000877464724 650731861 /nfs/dbraw/zinc/73/18/61/650731861.db2.gz LPANPSLEPIQSPX-NOLJZWGESA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)N1CCC(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877518577 650762378 /nfs/dbraw/zinc/76/23/78/650762378.db2.gz KHDMFCXIHCCVBP-UHFFFAOYSA-N 0 3 292.379 2.269 20 10 CECDHN CCOc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c([O-])c1 ZINC000850365106 642683737 /nfs/dbraw/zinc/68/37/37/642683737.db2.gz BOONMNQSEJJOLA-ZDUSSCGKSA-N 0 3 287.306 2.305 20 10 CECDHN CCOc1ccc(C[NH2+]CC(O)(C2CC2)C2CC2)c([O-])c1 ZINC000850386285 642694767 /nfs/dbraw/zinc/69/47/67/642694767.db2.gz HZXYIQFWYVCNAW-UHFFFAOYSA-N 0 3 291.391 2.432 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000850484401 642728576 /nfs/dbraw/zinc/72/85/76/642728576.db2.gz IIQHJWPFIYTGCI-WOSRLPQWSA-N 0 3 279.380 2.403 20 10 CECDHN CCOCc1cc(CN[C@@H](C)C(OC)OC)ccc1OC ZINC000922312164 643020470 /nfs/dbraw/zinc/02/04/70/643020470.db2.gz TWEKCOGZBSHOHM-LBPRGKRZSA-N 0 3 297.395 2.329 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(OC)CCSC1 ZINC000922572248 643131427 /nfs/dbraw/zinc/13/14/27/643131427.db2.gz SXKSTGDZORYCFP-AWEZNQCLSA-N 0 3 283.393 2.013 20 10 CECDHN CN(Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851841451 643187235 /nfs/dbraw/zinc/18/72/35/643187235.db2.gz SHOPSRWBEUNGJU-AEGPPILISA-N 0 3 288.391 2.271 20 10 CECDHN CCO[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])CN(C)C ZINC000922757513 643248008 /nfs/dbraw/zinc/24/80/08/643248008.db2.gz TUHYXDJCWMAXAL-CYBMUJFWSA-N 0 3 286.803 2.102 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877652829 650834618 /nfs/dbraw/zinc/83/46/18/650834618.db2.gz ZHSIQXMIJTWMNE-ZDUSSCGKSA-N 0 3 261.321 2.052 20 10 CECDHN Cc1ccc(C[NH2+]CC(C)(C)C(=O)N2CCCC2)c([O-])c1 ZINC000877658183 650838166 /nfs/dbraw/zinc/83/81/66/650838166.db2.gz VTWIBZAZOJNRMA-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1[O-] ZINC000854222687 644016856 /nfs/dbraw/zinc/01/68/56/644016856.db2.gz KHCRNLWBJKECKU-SNVBAGLBSA-N 0 3 252.333 2.453 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894866 644073083 /nfs/dbraw/zinc/07/30/83/644073083.db2.gz KNQPFHMZSYEWHP-WBVHZDCISA-N 0 3 291.391 2.144 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894866 644073086 /nfs/dbraw/zinc/07/30/86/644073086.db2.gz KNQPFHMZSYEWHP-WBVHZDCISA-N 0 3 291.391 2.144 20 10 CECDHN CN(C)c1ccc(CN2CC3(C2)CCCOC3)cc1 ZINC000839138687 644171181 /nfs/dbraw/zinc/17/11/81/644171181.db2.gz PEBRGWXGXDUFOJ-UHFFFAOYSA-N 0 3 260.381 2.365 20 10 CECDHN CC1(C)C[C@H](O)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877753022 650897342 /nfs/dbraw/zinc/89/73/42/650897342.db2.gz VDUHEXKDBAAJPI-LBPRGKRZSA-N 0 3 253.317 2.124 20 10 CECDHN CC1(C)C[C@H](O)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877753022 650897346 /nfs/dbraw/zinc/89/73/46/650897346.db2.gz VDUHEXKDBAAJPI-LBPRGKRZSA-N 0 3 253.317 2.124 20 10 CECDHN CCC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000877757416 650900093 /nfs/dbraw/zinc/90/00/93/650900093.db2.gz ZMZBLBQJDYVBES-LBPRGKRZSA-N 0 3 276.380 2.444 20 10 CECDHN CC(=O)NCCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756371781 644637740 /nfs/dbraw/zinc/63/77/40/644637740.db2.gz MHDORTMMNUIRTA-BXKDBHETSA-N 0 3 280.343 2.195 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2COCCO2)c2c1c(F)ccc2[O-] ZINC000756433592 644648607 /nfs/dbraw/zinc/64/86/07/644648607.db2.gz DLZMJWYGTUMHDW-SCVCMEIPSA-N 0 3 281.327 2.085 20 10 CECDHN C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756491096 644654234 /nfs/dbraw/zinc/65/42/34/644654234.db2.gz XVVWQTLKXVDOOH-HOSYDEDBSA-N 0 3 290.342 2.349 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000756517980 644658119 /nfs/dbraw/zinc/65/81/19/644658119.db2.gz RTYPBTQUGIEZLX-GXSJLCMTSA-N 0 3 280.343 2.148 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCOC[C@@H]2CCOC2)c([O-])c1 ZINC000756564171 644667553 /nfs/dbraw/zinc/66/75/53/644667553.db2.gz QQITVXULXPJXBM-ZIAGYGMSSA-N 0 3 279.380 2.404 20 10 CECDHN CN(CCC[NH+]1CCCC1)C(=O)c1cc([O-])cs1 ZINC000839753082 644806944 /nfs/dbraw/zinc/80/69/44/644806944.db2.gz BFULGHGLAZDRBI-UHFFFAOYSA-N 0 3 268.382 2.012 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000858552539 645199322 /nfs/dbraw/zinc/19/93/22/645199322.db2.gz UDZVIXJUNJLKSM-ZWKOPEQDSA-N 0 3 285.771 2.154 20 10 CECDHN C[N@@H+]1CCCC12CCN(C(=O)c1cc([O-])cs1)CC2 ZINC000761168739 645253347 /nfs/dbraw/zinc/25/33/47/645253347.db2.gz UXUNGZZWWFOMQV-UHFFFAOYSA-N 0 3 280.393 2.154 20 10 CECDHN C[N@H+]1CCCC12CCN(C(=O)c1cc([O-])cs1)CC2 ZINC000761168739 645253350 /nfs/dbraw/zinc/25/33/50/645253350.db2.gz UXUNGZZWWFOMQV-UHFFFAOYSA-N 0 3 280.393 2.154 20 10 CECDHN CCOc1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC000768239170 646099584 /nfs/dbraw/zinc/09/95/84/646099584.db2.gz HNGQDCQRGGRIHR-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CCC[N@H+](Cc1c([O-])cccc1OC)CC(C)(C)O ZINC000769326262 646244821 /nfs/dbraw/zinc/24/48/21/646244821.db2.gz HEZTYNLCBHMACY-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCC[N@@H+](Cc1c([O-])cccc1OC)CC(C)(C)O ZINC000769326262 646244826 /nfs/dbraw/zinc/24/48/26/646244826.db2.gz HEZTYNLCBHMACY-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279156 646375846 /nfs/dbraw/zinc/37/58/46/646375846.db2.gz FSCQYMXOFAFAMY-SWLSCSKDSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000770279156 646375850 /nfs/dbraw/zinc/37/58/50/646375850.db2.gz FSCQYMXOFAFAMY-SWLSCSKDSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000770745332 646434250 /nfs/dbraw/zinc/43/42/50/646434250.db2.gz GRVDJOIUNBTYMG-NWDGAFQWSA-N 0 3 265.353 2.306 20 10 CECDHN Fc1cc(CN2C[C@@H]3C[C@@H]3C2)ccc1N1CCOCC1 ZINC000862442187 646460482 /nfs/dbraw/zinc/46/04/82/646460482.db2.gz YQHANTXNWFSECW-OKILXGFUSA-N 0 3 276.355 2.114 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CC=C(C(=O)OC)C2)c([O-])c1 ZINC000862465762 646469930 /nfs/dbraw/zinc/46/99/30/646469930.db2.gz SXDSMKHBXDMJDM-ZDUSSCGKSA-N 0 3 291.347 2.142 20 10 CECDHN CCCN1CCC[C@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759259 646559397 /nfs/dbraw/zinc/55/93/97/646559397.db2.gz ZOMLGUMTNGXDIH-AWEZNQCLSA-N 0 3 276.380 2.191 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775501298 646960771 /nfs/dbraw/zinc/96/07/71/646960771.db2.gz GCMIVIQYMFUXGC-DGCLKSJQSA-N 0 3 286.803 2.009 20 10 CECDHN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])[C@@H](C)CN1C ZINC000775985483 647013155 /nfs/dbraw/zinc/01/31/55/647013155.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])[C@@H](C)CN1C ZINC000775985483 647013158 /nfs/dbraw/zinc/01/31/58/647013158.db2.gz LRNNQKJFXGFKBJ-QWRGUYRKSA-N 0 3 252.333 2.056 20 10 CECDHN COc1ccc(O)c(CNC[C@@H](OC)C(F)(F)F)c1 ZINC000776175149 647032348 /nfs/dbraw/zinc/03/23/48/647032348.db2.gz XBEUTTSMXVSWAF-LLVKDONJSA-N 0 3 279.258 2.068 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccc1[O-] ZINC000779060675 647284458 /nfs/dbraw/zinc/28/44/58/647284458.db2.gz HXZMTXTWBQHKPI-NWDGAFQWSA-N 0 3 257.337 2.254 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000779152978 647292324 /nfs/dbraw/zinc/29/23/24/647292324.db2.gz IQENZDYLVIXXGS-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000779152978 647292329 /nfs/dbraw/zinc/29/23/29/647292329.db2.gz IQENZDYLVIXXGS-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cc(O)c(CN2CCOCC3(CC3)C2)cc1OC ZINC000782303169 647611031 /nfs/dbraw/zinc/61/10/31/647611031.db2.gz XAEKGDRRRAEMGG-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1ccnn1C ZINC000866616150 647843425 /nfs/dbraw/zinc/84/34/25/647843425.db2.gz ZJJNYFVYWWRUFT-CMPLNLGQSA-N 0 3 257.337 2.464 20 10 CECDHN Cc1cc(O)c(C[NH2+]Cc2ncccc2[O-])cc1C ZINC000793255227 648731958 /nfs/dbraw/zinc/73/19/58/648731958.db2.gz DUXZKKVXTIBORC-UHFFFAOYSA-N 0 3 258.321 2.399 20 10 CECDHN COc1ccc(CNCc2ccnn2C(C)C)c(O)c1 ZINC000793391355 648749817 /nfs/dbraw/zinc/74/98/17/648749817.db2.gz VXUZEEGJNJEDEK-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccnn2C(C)C)c([O-])c1 ZINC000793391355 648749819 /nfs/dbraw/zinc/74/98/19/648749819.db2.gz VXUZEEGJNJEDEK-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN C[C@@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccccc1[O-] ZINC000872117923 649282722 /nfs/dbraw/zinc/28/27/22/649282722.db2.gz TUQPJSLQIUSUMP-VXGBXAGGSA-N 0 3 263.337 2.386 20 10 CECDHN COC(=O)c1cccc(CN[C@H](C)c2ccccc2O)n1 ZINC000879649623 651335382 /nfs/dbraw/zinc/33/53/82/651335382.db2.gz ZGLBCHVLLXAHRB-LLVKDONJSA-N 0 3 286.331 2.425 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)c1ccccn1)c1ccccc1[O-] ZINC000879649771 651335454 /nfs/dbraw/zinc/33/54/54/651335454.db2.gz GTLCKECKKZMDSG-ABAIWWIYSA-N 0 3 258.321 2.171 20 10 CECDHN CC[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000723545750 802884834 /nfs/dbraw/zinc/88/48/34/802884834.db2.gz KUPDQAUYKDMVJQ-JSGCOSHPSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])CC1(C)OCCO1 ZINC000715907681 815004957 /nfs/dbraw/zinc/00/49/57/815004957.db2.gz IJNFTIUWDCNUEN-NSHDSACASA-N 0 3 283.343 2.410 20 10 CECDHN COc1cccc(CNCc2[nH]nc(C)c2C)c1O ZINC000716447909 815124588 /nfs/dbraw/zinc/12/45/88/815124588.db2.gz QGIIRBALRAPOCQ-UHFFFAOYSA-N 0 3 261.325 2.031 20 10 CECDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H](O)C1 ZINC001237121118 808194122 /nfs/dbraw/zinc/19/41/22/808194122.db2.gz KBSQDKBOGSWNTC-QMMMGPOBSA-N 0 3 259.708 2.141 20 10 CECDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H](O)C1 ZINC001237121118 808194125 /nfs/dbraw/zinc/19/41/25/808194125.db2.gz KBSQDKBOGSWNTC-QMMMGPOBSA-N 0 3 259.708 2.141 20 10 CECDHN C[C@@H]1CC[C@H](C)N1CC(=O)N(C)c1ccc(N)cc1 ZINC000706291734 809818063 /nfs/dbraw/zinc/81/80/63/809818063.db2.gz SAEMOLVLXQAZOH-TXEJJXNPSA-N 0 3 261.369 2.104 20 10 CECDHN CCN1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708504555 809944112 /nfs/dbraw/zinc/94/41/12/809944112.db2.gz RXVJPUBEMOCDFU-JTQLQIEISA-N 0 3 270.323 2.102 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](C)[C@H](O)C2)c1O ZINC000388201524 813231219 /nfs/dbraw/zinc/23/12/19/813231219.db2.gz SETBJLIDWUZGBW-ISVAXAHUSA-N 0 3 283.755 2.061 20 10 CECDHN CC[N@H+](CCn1ccnc1)Cc1cc(F)ccc1[O-] ZINC001140060446 816181529 /nfs/dbraw/zinc/18/15/29/816181529.db2.gz WGPUWXYAKJEKTO-UHFFFAOYSA-N 0 3 263.316 2.250 20 10 CECDHN CC[N@@H+](CCn1ccnc1)Cc1cc(F)ccc1[O-] ZINC001140060446 816181534 /nfs/dbraw/zinc/18/15/34/816181534.db2.gz WGPUWXYAKJEKTO-UHFFFAOYSA-N 0 3 263.316 2.250 20 10 CECDHN CCOC(=O)[C@@H]1CN(Cc2cc(C)ccc2O)CCS1 ZINC001140623654 816306678 /nfs/dbraw/zinc/30/66/78/816306678.db2.gz OGDNSUYQDOJOGG-AWEZNQCLSA-N 0 3 295.404 2.181 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3cc(C)ncn3)CC2)c1 ZINC001140624273 816308883 /nfs/dbraw/zinc/30/88/83/816308883.db2.gz OEQQWVOWONFFBQ-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H](CO)C2)c(Cl)c1 ZINC001140923844 816411108 /nfs/dbraw/zinc/41/11/08/816411108.db2.gz JCCNGKGELLWNCC-NSHDSACASA-N 0 3 268.788 2.220 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC001140950734 816424206 /nfs/dbraw/zinc/42/42/06/816424206.db2.gz GAEMKPYIYXFUBJ-TZMCWYRMSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC001140950734 816424209 /nfs/dbraw/zinc/42/42/09/816424209.db2.gz GAEMKPYIYXFUBJ-TZMCWYRMSA-N 0 3 277.364 2.474 20 10 CECDHN Cc1ccc(CN2CC(N3CCC(F)CC3)C2)c(O)c1 ZINC001140950797 816424465 /nfs/dbraw/zinc/42/44/65/816424465.db2.gz JFPQDHNNJOVYQE-UHFFFAOYSA-N 0 3 278.371 2.319 20 10 CECDHN COC[C@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031535 816450462 /nfs/dbraw/zinc/45/04/62/816450462.db2.gz HLCRGGNHEOISJT-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COC[C@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031535 816450464 /nfs/dbraw/zinc/45/04/64/816450464.db2.gz HLCRGGNHEOISJT-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031816 816452457 /nfs/dbraw/zinc/45/24/57/816452457.db2.gz MVMXCGOICCCRFQ-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c(OC)c1 ZINC001141031816 816452465 /nfs/dbraw/zinc/45/24/65/816452465.db2.gz MVMXCGOICCCRFQ-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN Cc1cc(CN2CCN3C[C@@H](F)C[C@H]3C2)ccc1N(C)C ZINC001176776791 816470452 /nfs/dbraw/zinc/47/04/52/816470452.db2.gz ATHJVIPBAKRLSN-HOTGVXAUSA-N 0 3 291.414 2.289 20 10 CECDHN C[C@H]1CN(Cc2ccc3c(c2)OCCN3C)CCCO1 ZINC001141141028 816486008 /nfs/dbraw/zinc/48/60/08/816486008.db2.gz SIBQPMJIEQWAIW-ZDUSSCGKSA-N 0 3 276.380 2.126 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(C)CC2(C)C)c1 ZINC000093457424 344224320 /nfs/dbraw/zinc/22/43/20/344224320.db2.gz ZWBDQDVIVZLYIW-UHFFFAOYSA-N 0 3 278.396 2.317 20 10 CECDHN COCCCOCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000091026216 364069646 /nfs/dbraw/zinc/06/96/46/364069646.db2.gz UWMQYDQLWVLZAT-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN COCCCOCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000091026216 364069652 /nfs/dbraw/zinc/06/96/52/364069652.db2.gz UWMQYDQLWVLZAT-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179643513 368347276 /nfs/dbraw/zinc/34/72/76/368347276.db2.gz JVDBKNCGTZNLFL-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179643513 368347282 /nfs/dbraw/zinc/34/72/82/368347282.db2.gz JVDBKNCGTZNLFL-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)N[C@@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000179691915 368349228 /nfs/dbraw/zinc/34/92/28/368349228.db2.gz GUFJJHAILZHUBJ-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN CCOC[C@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180622104 368389460 /nfs/dbraw/zinc/38/94/60/368389460.db2.gz SNBYDDQBPCYCCQ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180622104 368389465 /nfs/dbraw/zinc/38/94/65/368389465.db2.gz SNBYDDQBPCYCCQ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180769430 368394712 /nfs/dbraw/zinc/39/47/12/368394712.db2.gz HTVFEYOITNRWLS-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180769430 368394716 /nfs/dbraw/zinc/39/47/16/368394716.db2.gz HTVFEYOITNRWLS-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN COc1cccc(C[N@H+](C)CCc2ccncc2)c1[O-] ZINC000183760183 368648055 /nfs/dbraw/zinc/64/80/55/368648055.db2.gz QKLYXXZETCKABR-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1cccc(C[N@@H+](C)CCc2ccncc2)c1[O-] ZINC000183760183 368648058 /nfs/dbraw/zinc/64/80/58/368648058.db2.gz QKLYXXZETCKABR-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN Cc1noc(CC[NH2+][C@H](C)c2cc(C)ccc2[O-])n1 ZINC000185972041 368896392 /nfs/dbraw/zinc/89/63/92/368896392.db2.gz IVNXMAICAYDJLY-SNVBAGLBSA-N 0 3 261.325 2.285 20 10 CECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000188906123 369427266 /nfs/dbraw/zinc/42/72/66/369427266.db2.gz YNZBOCBONNPOPV-HOCLYGCPSA-N 0 3 297.370 2.187 20 10 CECDHN C[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)C(=O)N(C)C ZINC000189000977 369441688 /nfs/dbraw/zinc/44/16/88/369441688.db2.gz DQISIRQHNGWMGA-RYUDHWBXSA-N 0 3 290.407 2.398 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2)C(=O)N(C)C ZINC000189000977 369441692 /nfs/dbraw/zinc/44/16/92/369441692.db2.gz DQISIRQHNGWMGA-RYUDHWBXSA-N 0 3 290.407 2.398 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000190304482 369611483 /nfs/dbraw/zinc/61/14/83/369611483.db2.gz MDAQKAMPHHCNAZ-RISCZKNCSA-N 0 3 265.353 2.042 20 10 CECDHN C[C@H]([NH2+]CC1(C)OCCCO1)c1cc(F)ccc1[O-] ZINC000190648453 369642546 /nfs/dbraw/zinc/64/25/46/369642546.db2.gz POTKRXCNMPIGCZ-JTQLQIEISA-N 0 3 269.316 2.335 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)CCS1 ZINC000191668692 369732705 /nfs/dbraw/zinc/73/27/05/369732705.db2.gz AKBBZWBIRGXTII-SNVBAGLBSA-N 0 3 281.377 2.448 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCS1 ZINC000191668692 369732710 /nfs/dbraw/zinc/73/27/10/369732710.db2.gz AKBBZWBIRGXTII-SNVBAGLBSA-N 0 3 281.377 2.448 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000230659283 370460997 /nfs/dbraw/zinc/46/09/97/370460997.db2.gz WCEKCVVKFCVIPT-KCJUWKMLSA-N 0 3 263.259 2.274 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000248876493 371261387 /nfs/dbraw/zinc/26/13/87/371261387.db2.gz WCHMKTPZKPUJMS-BJJXKVORSA-N 0 3 289.375 2.474 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3nc[nH]c3C2)c1 ZINC000368102824 373219680 /nfs/dbraw/zinc/21/96/80/373219680.db2.gz QAHYOHIDGKPKSX-GHMZBOCLSA-N 0 3 287.363 2.332 20 10 CECDHN CC(C)[C@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271464231 373191686 /nfs/dbraw/zinc/19/16/86/373191686.db2.gz GNCIECKXRJVTSX-TZMCWYRMSA-N 0 3 293.363 2.414 20 10 CECDHN COC1(C)CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000271586993 373195684 /nfs/dbraw/zinc/19/56/84/373195684.db2.gz DSLDLJLMZCSHHM-UHFFFAOYSA-N 0 3 279.336 2.122 20 10 CECDHN CCC[C@@](C)(N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000272463746 373497248 /nfs/dbraw/zinc/49/72/48/373497248.db2.gz OXHJJRUFILMHRH-QGZVFWFLSA-N 0 3 290.407 2.405 20 10 CECDHN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1[O-] ZINC000272888030 373694839 /nfs/dbraw/zinc/69/48/39/373694839.db2.gz SCJFVQAYBGWELS-LLVKDONJSA-N 0 3 262.353 2.089 20 10 CECDHN C[C@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccccc1[O-] ZINC000272931967 373719595 /nfs/dbraw/zinc/71/95/95/373719595.db2.gz ZQRYRUNWPUVEKW-SWLSCSKDSA-N 0 3 280.437 2.480 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000273175720 373747883 /nfs/dbraw/zinc/74/78/83/373747883.db2.gz NHPSVCBYGHDANU-CVEARBPZSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000273366803 373753801 /nfs/dbraw/zinc/75/38/01/373753801.db2.gz BQNBIZULXPOOGV-LLVKDONJSA-N 0 3 298.814 2.153 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273445331 373757633 /nfs/dbraw/zinc/75/76/33/373757633.db2.gz DYDTXPZDFPWZFA-YPMHNXCESA-N 0 3 299.436 2.483 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[N@@H+](C2CC2)CC1 ZINC000374903218 374634969 /nfs/dbraw/zinc/63/49/69/374634969.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[N@H+](C2CC2)CC1 ZINC000374903218 374634974 /nfs/dbraw/zinc/63/49/74/374634974.db2.gz ZHWOPEXVLZHDQE-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678423 374625477 /nfs/dbraw/zinc/62/54/77/374625477.db2.gz KFDNKOJGIMEFCV-BLLLJJGKSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678423 374625482 /nfs/dbraw/zinc/62/54/82/374625482.db2.gz KFDNKOJGIMEFCV-BLLLJJGKSA-N 0 3 293.338 2.306 20 10 CECDHN CCOc1ccc(O)c(CN2CCC[C@H]3COC[C@H]32)c1 ZINC000375705170 374671376 /nfs/dbraw/zinc/67/13/76/374671376.db2.gz PFEXZBXSBYCHJX-SWLSCSKDSA-N 0 3 277.364 2.402 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375689465 374672177 /nfs/dbraw/zinc/67/21/77/374672177.db2.gz DYHCQUZVWJALSO-HNNXBMFYSA-N 0 3 287.363 2.061 20 10 CECDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000281186829 375360839 /nfs/dbraw/zinc/36/08/39/375360839.db2.gz QZGLSLTUDFFUJU-NSHDSACASA-N 0 3 283.393 2.010 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)cc1OC ZINC000282364292 375467607 /nfs/dbraw/zinc/46/76/07/375467607.db2.gz PVYMTIWKKMZDDS-AAEUAGOBSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)cc1OC ZINC000282364292 375467615 /nfs/dbraw/zinc/46/76/15/375467615.db2.gz PVYMTIWKKMZDDS-AAEUAGOBSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CSC2(C)C)cc1OC ZINC000283155057 375666152 /nfs/dbraw/zinc/66/61/52/375666152.db2.gz XVMMCZPSOKSXER-CYBMUJFWSA-N 0 3 283.393 2.393 20 10 CECDHN C[C@@H]([NH2+]CCC1(O)CCC1)c1cc(F)ccc1[O-] ZINC000284382071 375828035 /nfs/dbraw/zinc/82/80/35/375828035.db2.gz OMQFDTWSVYMMOM-SNVBAGLBSA-N 0 3 253.317 2.487 20 10 CECDHN COCC1([NH2+]Cc2cc(OC)ccc2[O-])CCC1 ZINC000285153947 375835713 /nfs/dbraw/zinc/83/57/13/375835713.db2.gz PCLUXPKWIGMSTD-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@]3(CCCOC3)C2)cc1C ZINC000285162685 375836569 /nfs/dbraw/zinc/83/65/69/375836569.db2.gz SMACHVCYMFOTRG-QGZVFWFLSA-N 0 3 291.391 2.390 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000293602205 377650485 /nfs/dbraw/zinc/65/04/85/377650485.db2.gz DMUSMZHDSNKPMH-ZUZCIYMTSA-N 0 3 265.353 2.476 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293770285 377749858 /nfs/dbraw/zinc/74/98/58/377749858.db2.gz YNKVQNYCQMHULF-UHFFFAOYSA-N 0 3 281.327 2.260 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](O)CC2)cc1F ZINC000294120083 377911633 /nfs/dbraw/zinc/91/16/33/377911633.db2.gz TVWNJBHMGALKHQ-CYBMUJFWSA-N 0 3 266.360 2.239 20 10 CECDHN CN(C)C(=O)C1([NH2+]Cc2cc(F)ccc2[O-])CCCCC1 ZINC000294976451 378032691 /nfs/dbraw/zinc/03/26/91/378032691.db2.gz JLYHXPBAONYSAJ-UHFFFAOYSA-N 0 3 294.370 2.412 20 10 CECDHN CC[C@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)F ZINC000294972041 378033290 /nfs/dbraw/zinc/03/32/90/378033290.db2.gz FUPRPSJYJNTSLK-QWHCGFSZSA-N 0 3 272.339 2.247 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000295121304 378043311 /nfs/dbraw/zinc/04/33/11/378043311.db2.gz WORQCSYONQONII-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294835861 378022006 /nfs/dbraw/zinc/02/20/06/378022006.db2.gz QKZDVXNZBQNEFP-CQSZACIVSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NC(C)(C)C ZINC000295787443 378302956 /nfs/dbraw/zinc/30/29/56/378302956.db2.gz ABDOCUYZBCMXCF-JQWIXIFHSA-N 0 3 276.380 2.272 20 10 CECDHN CC(C)[C@@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297744391 378689805 /nfs/dbraw/zinc/68/98/05/378689805.db2.gz DGRFOMRHCGCJNE-CQSZACIVSA-N 0 3 291.439 2.345 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1SC ZINC000298229943 378695949 /nfs/dbraw/zinc/69/59/49/378695949.db2.gz BFEQGBFOIFCXHF-MRVWCRGKSA-N 0 3 267.394 2.391 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]1SC ZINC000298229947 378696312 /nfs/dbraw/zinc/69/63/12/378696312.db2.gz BFEQGBFOIFCXHF-YUTCNCBUSA-N 0 3 267.394 2.391 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)c([O-])c1 ZINC000185639096 262063459 /nfs/dbraw/zinc/06/34/59/262063459.db2.gz WKHGAAJWXDBJEL-SMDDNHRTSA-N 0 3 267.394 2.219 20 10 CECDHN COc1cc(Cl)cc(CNCc2ccnn2C)c1O ZINC000228670964 394476611 /nfs/dbraw/zinc/47/66/11/394476611.db2.gz YKVZSVHSKLTKBY-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN CCOC[C@@H]1CC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093839184 394669351 /nfs/dbraw/zinc/66/93/51/394669351.db2.gz LUNSTJJPPSMMMF-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000093839184 394669356 /nfs/dbraw/zinc/66/93/56/394669356.db2.gz LUNSTJJPPSMMMF-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000361064558 394814255 /nfs/dbraw/zinc/81/42/55/394814255.db2.gz AIMAGZWEYFZKJO-UHFFFAOYSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C1(C3CC3)CCOCC1)OCO2 ZINC000363793964 394885761 /nfs/dbraw/zinc/88/57/61/394885761.db2.gz AUKKVPAHOARGHM-UHFFFAOYSA-N 0 3 291.347 2.170 20 10 CECDHN Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2[O-])c1 ZINC000134227841 394957358 /nfs/dbraw/zinc/95/73/58/394957358.db2.gz ULHQEXISGQXJJU-HNNXBMFYSA-N 0 3 287.359 2.230 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC000282395575 394918888 /nfs/dbraw/zinc/91/88/88/394918888.db2.gz RJHXGEFLWXVUKS-WCQYABFASA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1[O-] ZINC000282395575 394918890 /nfs/dbraw/zinc/91/88/90/394918890.db2.gz RJHXGEFLWXVUKS-WCQYABFASA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000373177300 395056042 /nfs/dbraw/zinc/05/60/42/395056042.db2.gz ORKIJDKAKQBHAQ-ZBFHGGJFSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@H](CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000293604068 395243246 /nfs/dbraw/zinc/24/32/46/395243246.db2.gz IYYJJECKPPCFQC-GHMZBOCLSA-N 0 3 281.356 2.149 20 10 CECDHN CC1([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)OCCO1 ZINC000183239995 395254408 /nfs/dbraw/zinc/25/44/08/395254408.db2.gz CNZHFHDKOXGWLI-CQSZACIVSA-N 0 3 277.364 2.367 20 10 CECDHN CC1([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)OCCO1 ZINC000183239995 395254413 /nfs/dbraw/zinc/25/44/13/395254413.db2.gz CNZHFHDKOXGWLI-CQSZACIVSA-N 0 3 277.364 2.367 20 10 CECDHN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296436050 395320475 /nfs/dbraw/zinc/32/04/75/395320475.db2.gz MITBVVJTRXGBIJ-KCQAQPDRSA-N 0 3 293.407 2.127 20 10 CECDHN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183549433 395259775 /nfs/dbraw/zinc/25/97/75/395259775.db2.gz BVFLYUICUUKWGM-AVGNSLFASA-N 0 3 265.353 2.237 20 10 CECDHN C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297820726 395348775 /nfs/dbraw/zinc/34/87/75/395348775.db2.gz RJVSAKZQPUDJRQ-KCPJHIHWSA-N 0 3 272.392 2.452 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682982 395431104 /nfs/dbraw/zinc/43/11/04/395431104.db2.gz YITWVFRLXMLRSD-TYILLQQXSA-N 0 3 279.405 2.186 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682982 395431107 /nfs/dbraw/zinc/43/11/07/395431107.db2.gz YITWVFRLXMLRSD-TYILLQQXSA-N 0 3 279.405 2.186 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](c2ccco2)N(C)C)c1[O-] ZINC000020122236 171003012 /nfs/dbraw/zinc/00/30/12/171003012.db2.gz JKYUSFLZHBGFFM-CYBMUJFWSA-N 0 3 290.363 2.386 20 10 CECDHN C[C@@H](C(=O)Nc1ccc(N)cc1)N1CCCCCC1 ZINC000022154974 171361671 /nfs/dbraw/zinc/36/16/71/171361671.db2.gz BRXKFGOMAPZCNV-LBPRGKRZSA-N 0 3 261.369 2.472 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000038044035 174051462 /nfs/dbraw/zinc/05/14/62/174051462.db2.gz NJLQHGVQVBGWPW-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN COCCOC1CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000180201216 261846328 /nfs/dbraw/zinc/84/63/28/261846328.db2.gz MLIAQCCWKLLUCR-UHFFFAOYSA-N 0 3 295.379 2.028 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000184888633 262032238 /nfs/dbraw/zinc/03/22/38/262032238.db2.gz OIYWPVJQBYNDKS-CYBMUJFWSA-N 0 3 276.380 2.364 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185318337 262050969 /nfs/dbraw/zinc/05/09/69/262050969.db2.gz XUBWENHTKWTETL-SKDRFNHKSA-N 0 3 290.342 2.097 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOCC2(C)C)c([O-])c1 ZINC000185333950 262051138 /nfs/dbraw/zinc/05/11/38/262051138.db2.gz SGNCDYRIPROOTM-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000185779546 262070638 /nfs/dbraw/zinc/07/06/38/262070638.db2.gz LZBHDRYPQZZJSA-CYBMUJFWSA-N 0 3 278.352 2.021 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185788926 262070707 /nfs/dbraw/zinc/07/07/07/262070707.db2.gz PQJVQZARQCIGCA-CMPLNLGQSA-N 0 3 280.343 2.193 20 10 CECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000186597678 262101310 /nfs/dbraw/zinc/10/13/10/262101310.db2.gz JFUAXCZFDKHORA-ZBFHGGJFSA-N 0 3 279.380 2.048 20 10 CECDHN COC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])C1CC1 ZINC000186153613 262312423 /nfs/dbraw/zinc/31/24/23/262312423.db2.gz GGCFXJWWWFQYMX-IINYFYTJSA-N 0 3 265.353 2.476 20 10 CECDHN CN(C)c1ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000283833583 263084507 /nfs/dbraw/zinc/08/45/07/263084507.db2.gz FHNMSPNXJBXHKB-HOCLYGCPSA-N 0 3 294.439 2.000 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292712597 263133950 /nfs/dbraw/zinc/13/39/50/263133950.db2.gz DLHRFMVKVZFOGG-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292712597 263133951 /nfs/dbraw/zinc/13/39/51/263133951.db2.gz DLHRFMVKVZFOGG-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000189341970 264291918 /nfs/dbraw/zinc/29/19/18/264291918.db2.gz SXURMZXJZGQVJH-SRVKXCTJSA-N 0 3 265.353 2.212 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282127232 264496597 /nfs/dbraw/zinc/49/65/97/264496597.db2.gz BDVRIPFMPWNPSO-BXUZGUMPSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC000282127232 264496599 /nfs/dbraw/zinc/49/65/99/264496599.db2.gz BDVRIPFMPWNPSO-BXUZGUMPSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037160 267138997 /nfs/dbraw/zinc/13/89/97/267138997.db2.gz MEAYQNXHPALZMD-BZNIZROVSA-N 0 3 277.364 2.309 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000368037160 267139000 /nfs/dbraw/zinc/13/90/00/267139000.db2.gz MEAYQNXHPALZMD-BZNIZROVSA-N 0 3 277.364 2.309 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000369683486 267259330 /nfs/dbraw/zinc/25/93/30/267259330.db2.gz LXRMJUXPSZPRKJ-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000369683486 267259333 /nfs/dbraw/zinc/25/93/33/267259333.db2.gz LXRMJUXPSZPRKJ-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN C[C@H](Cn1cncn1)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000269056274 278222867 /nfs/dbraw/zinc/22/28/67/278222867.db2.gz WUQBDPZFDWTDLT-CHWSQXEVSA-N 0 3 273.384 2.083 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccccc1[O-] ZINC000188487514 288057466 /nfs/dbraw/zinc/05/74/66/288057466.db2.gz JPRWAYBNVUQSBQ-AAEUAGOBSA-N 0 3 264.369 2.300 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097440111 295167244 /nfs/dbraw/zinc/16/72/44/295167244.db2.gz NXGAXIUNOODUCV-GHMZBOCLSA-N 0 3 253.342 2.070 20 10 CECDHN CCOc1cccc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000527790151 313202382 /nfs/dbraw/zinc/20/23/82/313202382.db2.gz SETIFSUSHKBXFM-UHFFFAOYSA-N 0 3 263.337 2.060 20 10 CECDHN COC[C@H](CO)N[C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983274 328237741 /nfs/dbraw/zinc/23/77/41/328237741.db2.gz MFIWOEIPVSJMJC-HOCLYGCPSA-N 0 3 292.423 2.335 20 10 CECDHN COCCC[N@@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378501297 329053307 /nfs/dbraw/zinc/05/33/07/329053307.db2.gz YGTWDIMOJJPFIE-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN COCCC[N@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000378501297 329053309 /nfs/dbraw/zinc/05/33/09/329053309.db2.gz YGTWDIMOJJPFIE-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000360055686 329070885 /nfs/dbraw/zinc/07/08/85/329070885.db2.gz DPRILIICSZYPNK-UHFFFAOYSA-N 0 3 299.370 2.020 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1[O-] ZINC000183618735 329251252 /nfs/dbraw/zinc/25/12/52/329251252.db2.gz VPSKQOYSNMYJQB-ZYHUDNBSSA-N 0 3 257.337 2.323 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000188571667 329369987 /nfs/dbraw/zinc/36/99/87/329369987.db2.gz WCGCXCASASNFOC-YRGRVCCFSA-N 0 3 251.301 2.188 20 10 CECDHN Cc1cc(N2CCN(Cc3cc(C)ccc3O)CC2)n[nH]1 ZINC000189022028 329374993 /nfs/dbraw/zinc/37/49/93/329374993.db2.gz QQHAGUVJQQDLSZ-UHFFFAOYSA-N 0 3 286.379 2.054 20 10 CECDHN C[C@H]([NH2+]CC12CC(C1)CO2)c1cc(F)ccc1[O-] ZINC000527984118 330298646 /nfs/dbraw/zinc/29/86/46/330298646.db2.gz WNCNBIHQOATKBZ-IPWFMCSPSA-N 0 3 251.301 2.361 20 10 CECDHN CC(C)(CCCO)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000221402828 519211847 /nfs/dbraw/zinc/21/18/47/519211847.db2.gz ZNAFZBBSGZJQDG-UHFFFAOYSA-N 0 3 281.352 2.009 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)CCCCCO)c1 ZINC000279485796 521141000 /nfs/dbraw/zinc/14/10/00/521141000.db2.gz UJSVBFQNVOOWON-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)CCCCCO)c1 ZINC000279485796 521141009 /nfs/dbraw/zinc/14/10/09/521141009.db2.gz UJSVBFQNVOOWON-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)[C@@H]1OC ZINC000274846217 520368657 /nfs/dbraw/zinc/36/86/57/520368657.db2.gz AGZSXSAASOBENG-BMFZPTHFSA-N 0 3 279.380 2.286 20 10 CECDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447471 521138845 /nfs/dbraw/zinc/13/88/45/521138845.db2.gz ZJTGLHMHZCSTSR-DZGCQCFKSA-N 0 3 289.423 2.414 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000293001622 521152668 /nfs/dbraw/zinc/15/26/68/521152668.db2.gz NBNXEQPXOYDBPE-LRDDRELGSA-N 0 3 279.380 2.432 20 10 CECDHN COC[C@@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265447127 522420850 /nfs/dbraw/zinc/42/08/50/522420850.db2.gz VYIBMNSXAMCBMK-INIZCTEOSA-N 0 3 287.359 2.156 20 10 CECDHN CC[C@H]([NH2+]CCc1nc(C)no1)c1ccccc1[O-] ZINC000156480819 522603395 /nfs/dbraw/zinc/60/33/95/522603395.db2.gz OONYHMRNGNMUOE-LBPRGKRZSA-N 0 3 261.325 2.367 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1ccccc1[O-] ZINC000280782330 522610849 /nfs/dbraw/zinc/61/08/49/522610849.db2.gz GYJRYSCZWOUNOD-YDHLFZDLSA-N 0 3 279.380 2.078 20 10 CECDHN CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000280782327 522626995 /nfs/dbraw/zinc/62/69/95/522626995.db2.gz GYJRYSCZWOUNOD-NFAWXSAZSA-N 0 3 279.380 2.078 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000280260118 522635371 /nfs/dbraw/zinc/63/53/71/522635371.db2.gz XDISGEQJXYBMPD-OCCSQVGLSA-N 0 3 297.420 2.176 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H]1CCCO1 ZINC000278620808 522759328 /nfs/dbraw/zinc/75/93/28/522759328.db2.gz CFVMYACKCUKUTE-VZJVUDMVSA-N 0 3 283.343 2.376 20 10 CECDHN CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289518580 524070053 /nfs/dbraw/zinc/07/00/53/524070053.db2.gz HBAYKDMENCZNLE-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000289518580 524070056 /nfs/dbraw/zinc/07/00/56/524070056.db2.gz HBAYKDMENCZNLE-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN Cc1cc(C)n(CC[N@@H+](C)Cc2ccccc2[O-])n1 ZINC000264618806 524526968 /nfs/dbraw/zinc/52/69/68/524526968.db2.gz QKARGGXYNPJVRU-UHFFFAOYSA-N 0 3 259.353 2.338 20 10 CECDHN Cc1cc(C)n(CC[N@H+](C)Cc2ccccc2[O-])n1 ZINC000264618806 524526979 /nfs/dbraw/zinc/52/69/79/524526979.db2.gz QKARGGXYNPJVRU-UHFFFAOYSA-N 0 3 259.353 2.338 20 10 CECDHN COc1ccncc1CNCc1cc(C)ccc1O ZINC000292624393 524855503 /nfs/dbraw/zinc/85/55/03/524855503.db2.gz IZSMFRXBVVVSPH-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1[nH]cnc1CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000279224658 525460919 /nfs/dbraw/zinc/46/09/19/525460919.db2.gz PJIAVJZVIVZTRP-UHFFFAOYSA-N 0 3 298.390 2.177 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000071122540 525526037 /nfs/dbraw/zinc/52/60/37/525526037.db2.gz WSWFBDZPZWHXHK-GFCCVEGCSA-N 0 3 277.412 2.145 20 10 CECDHN C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471514 525839128 /nfs/dbraw/zinc/83/91/28/525839128.db2.gz NBTIDOCMEVDNAZ-DGCLKSJQSA-N 0 3 293.363 2.246 20 10 CECDHN C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471514 525839133 /nfs/dbraw/zinc/83/91/33/525839133.db2.gz NBTIDOCMEVDNAZ-DGCLKSJQSA-N 0 3 293.363 2.246 20 10 CECDHN COC1CCN(C(C)(C)C[NH2+]Cc2ccccc2[O-])CC1 ZINC000730817698 574578696 /nfs/dbraw/zinc/57/86/96/574578696.db2.gz RWGPXOSUGWFXRW-UHFFFAOYSA-N 0 3 292.423 2.371 20 10 CECDHN C[N@H+](CCNC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000732270809 574616910 /nfs/dbraw/zinc/61/69/10/574616910.db2.gz TWZCTNSVMNMYBI-UHFFFAOYSA-N 0 3 282.409 2.448 20 10 CECDHN C[N@@H+](CCNC(=O)c1cc([O-])cs1)C1CCCCC1 ZINC000732270809 574616912 /nfs/dbraw/zinc/61/69/12/574616912.db2.gz TWZCTNSVMNMYBI-UHFFFAOYSA-N 0 3 282.409 2.448 20 10 CECDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000733365952 574666347 /nfs/dbraw/zinc/66/63/47/574666347.db2.gz VMTODOOJRYJBHP-LLVKDONJSA-N 0 3 282.409 2.448 20 10 CECDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000733365952 574666348 /nfs/dbraw/zinc/66/63/48/574666348.db2.gz VMTODOOJRYJBHP-LLVKDONJSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@@H](CCNC(=O)c1cc([O-])cs1)[NH+]1CCCCC1 ZINC000753520019 574826273 /nfs/dbraw/zinc/82/62/73/574826273.db2.gz DOLHUFHSVKJBLU-NSHDSACASA-N 0 3 282.409 2.448 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCOCCO)C1CCCC1 ZINC000739916418 574936257 /nfs/dbraw/zinc/93/62/57/574936257.db2.gz XQNCNTJYEPSAGK-UHFFFAOYSA-N 0 3 279.380 2.146 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCOCCO)C1CCCC1 ZINC000739916418 574936258 /nfs/dbraw/zinc/93/62/58/574936258.db2.gz XQNCNTJYEPSAGK-UHFFFAOYSA-N 0 3 279.380 2.146 20 10 CECDHN CN(C)CCN(C(=O)/C=C\c1cnn(C)c1)c1ccccc1 ZINC000746278653 575153579 /nfs/dbraw/zinc/15/35/79/575153579.db2.gz PCUGKKHMUXMSDG-KTKRTIGZSA-N 0 3 298.390 2.028 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000752124103 575305739 /nfs/dbraw/zinc/30/57/39/575305739.db2.gz IUEMGQHQLZWQSS-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN CCOCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866482 623910111 /nfs/dbraw/zinc/91/01/11/623910111.db2.gz SJHLPDJYJGQRLC-UHFFFAOYSA-N 0 3 296.386 2.383 20 10 CECDHN Cc1cc(N)nc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000892131314 624341214 /nfs/dbraw/zinc/34/12/14/624341214.db2.gz GNSXZAMWCGBEKN-UHFFFAOYSA-N 0 3 275.331 2.184 20 10 CECDHN C[C@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)[S@@](C)=O ZINC000311044810 627357482 /nfs/dbraw/zinc/35/74/82/627357482.db2.gz HDAOXAYXFHDZQA-GDAOTKPNSA-N 0 3 267.394 2.126 20 10 CECDHN COc1ccc(CNCc2scnc2C)c(O)c1OC ZINC000892919675 627852436 /nfs/dbraw/zinc/85/24/36/627852436.db2.gz CETCDPHPUMIIDK-UHFFFAOYSA-N 0 3 294.376 2.464 20 10 CECDHN C[C@H]([NH2+]CC1(N)CC1)c1ccc(Br)cc1[O-] ZINC000902408154 634623916 /nfs/dbraw/zinc/62/39/16/634623916.db2.gz XHBJWGDDKMZZRA-QMMMGPOBSA-N 0 3 285.185 2.297 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnccc2C)c([O-])c1 ZINC000162702936 628490561 /nfs/dbraw/zinc/49/05/61/628490561.db2.gz VEJSZYFIKIHAMD-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(C)cc1[O-] ZINC000794808342 629326382 /nfs/dbraw/zinc/32/63/82/629326382.db2.gz ABCLMZIZJQSCCJ-CQSZACIVSA-N 0 3 299.374 2.435 20 10 CECDHN CC[C@@H]([NH2+]CCCn1cncn1)c1ccc(C)cc1[O-] ZINC000794816149 629328426 /nfs/dbraw/zinc/32/84/26/629328426.db2.gz XCBKVYYPQKKCLE-CQSZACIVSA-N 0 3 274.368 2.423 20 10 CECDHN CC[C@H]([NH2+][C@H](C)[C@H]1CN(C)CCO1)c1ccc(C)cc1[O-] ZINC000794819443 629328510 /nfs/dbraw/zinc/32/85/10/629328510.db2.gz WQBKLVZLNWDXLY-UKPHBRMFSA-N 0 3 292.423 2.460 20 10 CECDHN COc1ccc(CN2CC3(C2)CCCOC3)c(O)c1OC ZINC000894827858 629664638 /nfs/dbraw/zinc/66/46/38/629664638.db2.gz IFRFVELUVCYHFP-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000895459733 630202499 /nfs/dbraw/zinc/20/24/99/630202499.db2.gz HNBOMDFUJUJMDN-SRVKXCTJSA-N 0 3 263.337 2.385 20 10 CECDHN COC(OC)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000895790569 630346067 /nfs/dbraw/zinc/34/60/67/630346067.db2.gz SCVFFFYZPJJBEQ-LBPRGKRZSA-N 0 3 266.385 2.158 20 10 CECDHN Cc1nc([C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000896236877 630508475 /nfs/dbraw/zinc/50/84/75/630508475.db2.gz JQIOJJLSIMEMRS-SNVBAGLBSA-N 0 3 277.299 2.212 20 10 CECDHN Cc1nc([C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)no1 ZINC000896236877 630508476 /nfs/dbraw/zinc/50/84/76/630508476.db2.gz JQIOJJLSIMEMRS-SNVBAGLBSA-N 0 3 277.299 2.212 20 10 CECDHN COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000896471922 630569986 /nfs/dbraw/zinc/56/99/86/630569986.db2.gz HRANZIQUIKUOAF-DGCLKSJQSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000896471922 630569989 /nfs/dbraw/zinc/56/99/89/630569989.db2.gz HRANZIQUIKUOAF-DGCLKSJQSA-N 0 3 263.337 2.023 20 10 CECDHN C[C@@]1(C2CC[NH+](Cc3ccccc3[O-])CC2)COC(=O)N1 ZINC000896457624 630570996 /nfs/dbraw/zinc/57/09/96/630570996.db2.gz DACQEQQQUOPORJ-INIZCTEOSA-N 0 3 290.363 2.103 20 10 CECDHN CN1CC[C@H]([NH2+]Cc2c([O-])cccc2F)CC1(C)C ZINC000896638459 630621496 /nfs/dbraw/zinc/62/14/96/630621496.db2.gz BVTWBVCJTNNGGZ-NSHDSACASA-N 0 3 266.360 2.494 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000896921520 630810071 /nfs/dbraw/zinc/81/00/71/630810071.db2.gz ROVZLPPOXIEHMH-AWEZNQCLSA-N 0 3 295.354 2.349 20 10 CECDHN C[C@H](O)CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000798195253 630834217 /nfs/dbraw/zinc/83/42/17/630834217.db2.gz DMIRFVZAVIGFBK-ZFWWWQNUSA-N 0 3 279.380 2.144 20 10 CECDHN C[C@H](O)CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000798195253 630834221 /nfs/dbraw/zinc/83/42/21/630834221.db2.gz DMIRFVZAVIGFBK-ZFWWWQNUSA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccccc1[O-] ZINC000806664066 631764282 /nfs/dbraw/zinc/76/42/82/631764282.db2.gz ZGMVMCZOIBUHFY-OLZOCXBDSA-N 0 3 296.436 2.301 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230836 631938731 /nfs/dbraw/zinc/93/87/31/631938731.db2.gz RBAQYQOZOGFQKZ-LRDDRELGSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230836 631938735 /nfs/dbraw/zinc/93/87/35/631938735.db2.gz RBAQYQOZOGFQKZ-LRDDRELGSA-N 0 3 289.375 2.440 20 10 CECDHN C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840179321 632093805 /nfs/dbraw/zinc/09/38/05/632093805.db2.gz ALEDMKATFAEJNE-HZMBPMFUSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@H]1CC(C)(C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840179321 632093812 /nfs/dbraw/zinc/09/38/12/632093812.db2.gz ALEDMKATFAEJNE-HZMBPMFUSA-N 0 3 277.364 2.438 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H](C)C1 ZINC000809698278 632129680 /nfs/dbraw/zinc/12/96/80/632129680.db2.gz XPEDWBKBSWGMRM-CYBMUJFWSA-N 0 3 279.403 2.418 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](OC)C2CC2)c([O-])c1 ZINC000815152967 632973229 /nfs/dbraw/zinc/97/32/29/632973229.db2.gz CPMMNHGFSUYFEA-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC000816665487 633459641 /nfs/dbraw/zinc/45/96/41/633459641.db2.gz JHXMQCZXVTZSTC-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC000816665487 633459646 /nfs/dbraw/zinc/45/96/46/633459646.db2.gz JHXMQCZXVTZSTC-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN C[NH2+]CCN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817952755 633796806 /nfs/dbraw/zinc/79/68/06/633796806.db2.gz MBOOJIPGOZLFPO-SSDOTTSWSA-N 0 3 291.164 2.164 20 10 CECDHN CNCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817952755 633796811 /nfs/dbraw/zinc/79/68/11/633796811.db2.gz MBOOJIPGOZLFPO-SSDOTTSWSA-N 0 3 291.164 2.164 20 10 CECDHN Cc1cc([C@@H](C)NCCc2ccc(N)cc2)nn1C ZINC000817957319 633799771 /nfs/dbraw/zinc/79/97/71/633799771.db2.gz KVNSCLUGASWDJN-GFCCVEGCSA-N 0 3 258.369 2.204 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CN)CC(C)C)c1 ZINC000817959801 633801238 /nfs/dbraw/zinc/80/12/38/633801238.db2.gz VGBJZVWMZMMJDC-WCQYABFASA-N 0 3 294.395 2.203 20 10 CECDHN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968864 633811442 /nfs/dbraw/zinc/81/14/42/633811442.db2.gz NWGKYYKKBWPDOQ-VYUIOLGVSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968864 633811453 /nfs/dbraw/zinc/81/14/53/633811453.db2.gz NWGKYYKKBWPDOQ-VYUIOLGVSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@@H]([NH3+])CN[C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971297 633814100 /nfs/dbraw/zinc/81/41/00/633814100.db2.gz CATFFRHOYNMZMH-RNFRBKRXSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000818357986 633915172 /nfs/dbraw/zinc/91/51/72/633915172.db2.gz MKQIJUMPITXDPI-CDEVMZEPSA-N 0 3 251.301 2.193 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCOC2(C)C)c([O-])c1 ZINC000824626016 635465007 /nfs/dbraw/zinc/46/50/07/635465007.db2.gz RUPDJYPURBWESJ-AWEZNQCLSA-N 0 3 265.353 2.448 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824708872 635481718 /nfs/dbraw/zinc/48/17/18/635481718.db2.gz KZFHZAWRZCCVIX-BXUZGUMPSA-N 0 3 299.798 2.495 20 10 CECDHN CC[C@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NC ZINC000825315866 635613940 /nfs/dbraw/zinc/61/39/40/635613940.db2.gz HCIGJVJAICSZJD-INIZCTEOSA-N 0 3 289.423 2.291 20 10 CECDHN C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826910300 635879763 /nfs/dbraw/zinc/87/97/63/635879763.db2.gz DWOUTBXIHRIADO-QUJCMNEKSA-N 0 3 285.384 2.311 20 10 CECDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000827500555 636337619 /nfs/dbraw/zinc/33/76/19/636337619.db2.gz COZUMBBPZLWQMZ-DKTWLAJQSA-N 0 3 299.754 2.095 20 10 CECDHN CC(C)N1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000828539545 636623813 /nfs/dbraw/zinc/62/38/13/636623813.db2.gz PYHMEOAXEODIPM-OCCSQVGLSA-N 0 3 276.380 2.442 20 10 CECDHN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCNC2(CCC2)C1 ZINC000841089346 637710047 /nfs/dbraw/zinc/71/00/47/637710047.db2.gz LSVCGJRMGSKCHG-GFCCVEGCSA-N 0 3 264.344 2.296 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC[C@@H]1CCOC1)CC2 ZINC000834578567 637878275 /nfs/dbraw/zinc/87/82/75/637878275.db2.gz UWSVPAVFYQBSEI-TZMCWYRMSA-N 0 3 277.364 2.022 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000834773550 637947281 /nfs/dbraw/zinc/94/72/81/637947281.db2.gz GUVVNMXSTVWCBF-CHWSQXEVSA-N 0 3 269.348 2.181 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000834904628 637982559 /nfs/dbraw/zinc/98/25/59/637982559.db2.gz ANMUZPOEPFPZJQ-CKEKPRIKSA-N 0 3 251.301 2.193 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000834904630 637982883 /nfs/dbraw/zinc/98/28/83/637982883.db2.gz ANMUZPOEPFPZJQ-REIXXSIJSA-N 0 3 251.301 2.193 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000834907530 637983539 /nfs/dbraw/zinc/98/35/39/637983539.db2.gz VPLFDPMKJJIZKQ-OUCADQQQSA-N 0 3 276.380 2.395 20 10 CECDHN COC(=O)[C@@H]1CCN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835026667 638030802 /nfs/dbraw/zinc/03/08/02/638030802.db2.gz ZNQYMTYFASCBQE-FOSCPCJNSA-N 0 3 288.391 2.261 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000835045867 638036103 /nfs/dbraw/zinc/03/61/03/638036103.db2.gz KZTLXNXPURCYCP-CWIOURORSA-N 0 3 297.406 2.304 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000835085109 638055735 /nfs/dbraw/zinc/05/57/35/638055735.db2.gz WQBOYBRFGDOEST-RISCZKNCSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(C2OCCO2)CC1 ZINC000876680062 650396469 /nfs/dbraw/zinc/39/64/69/650396469.db2.gz YGIXRRVPEIQHNN-UHFFFAOYSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc(CN2CC[C@@](O)(C(F)(F)F)C2)c(O)c1 ZINC000876764827 650424606 /nfs/dbraw/zinc/42/46/06/650424606.db2.gz WYYUMUTUHIJCIY-LBPRGKRZSA-N 0 3 275.270 2.200 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000876782389 650429082 /nfs/dbraw/zinc/42/90/82/650429082.db2.gz PWHZJVMPAXPKBV-HNNXBMFYSA-N 0 3 291.391 2.471 20 10 CECDHN CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000044534557 639323121 /nfs/dbraw/zinc/32/31/21/639323121.db2.gz PMEPOXUALPKRMS-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000226583568 639555021 /nfs/dbraw/zinc/55/50/21/639555021.db2.gz PCNIGEMNVSCZPH-CYBMUJFWSA-N 0 3 289.306 2.461 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c(Cl)c1 ZINC000840921213 639586621 /nfs/dbraw/zinc/58/66/21/639586621.db2.gz WETPAANLQGEIET-GHMZBOCLSA-N 0 3 266.772 2.005 20 10 CECDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840941884 639595724 /nfs/dbraw/zinc/59/57/24/639595724.db2.gz PHRDEJIHAFHTIH-ZDUSSCGKSA-N 0 3 277.412 2.017 20 10 CECDHN Cc1cc([O-])c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC000841026859 639619967 /nfs/dbraw/zinc/61/99/67/639619967.db2.gz SWGJUNRGNWCUMU-MFKMUULPSA-N 0 3 266.772 2.148 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1 ZINC000841062837 639637972 /nfs/dbraw/zinc/63/79/72/639637972.db2.gz YHLORBPXJAURFS-KWQFWETISA-N 0 3 272.751 2.415 20 10 CECDHN C[C@H]1C[C@@H](NCc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062837 639637978 /nfs/dbraw/zinc/63/79/78/639637978.db2.gz YHLORBPXJAURFS-KWQFWETISA-N 0 3 272.751 2.415 20 10 CECDHN CC[C@@H](N)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841072547 639643816 /nfs/dbraw/zinc/64/38/16/639643816.db2.gz PLHBNAUNKWKPHF-SNVBAGLBSA-N 0 3 287.201 2.290 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCN(C)C(C)C)c1[O-] ZINC000228672903 639651484 /nfs/dbraw/zinc/65/14/84/639651484.db2.gz KFTLQYGGKAGSBE-UHFFFAOYSA-N 0 3 286.803 2.484 20 10 CECDHN C[NH2+]CCCN(C)Cc1cccc(Br)c1[O-] ZINC000841103307 639675011 /nfs/dbraw/zinc/67/50/11/639675011.db2.gz GMEUAHXEWKDXNI-UHFFFAOYSA-N 0 3 287.201 2.196 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000877056948 650551751 /nfs/dbraw/zinc/55/17/51/650551751.db2.gz XXANVYOABIYWSM-GOSISDBHSA-N 0 3 269.410 2.337 20 10 CECDHN CC[NH+](CC)[C@@H](C)CNC(=O)NCc1c([O-])cccc1F ZINC000914069456 640212680 /nfs/dbraw/zinc/21/26/80/640212680.db2.gz WTCFXMZDUOGEIN-NSHDSACASA-N 0 3 297.374 2.061 20 10 CECDHN C[N@H+](Cc1cccc(Cl)c1[O-])C1CCNCC1 ZINC000843044706 640250085 /nfs/dbraw/zinc/25/00/85/640250085.db2.gz FZGUOHUSGMYYQK-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CCNCC1 ZINC000843044706 640250086 /nfs/dbraw/zinc/25/00/86/640250086.db2.gz FZGUOHUSGMYYQK-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054239 640257500 /nfs/dbraw/zinc/25/75/00/640257500.db2.gz HKHRFNMHWRJWAO-UHFFFAOYSA-N 0 3 278.371 2.495 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@H](N)CC(F)F ZINC000843413524 640419474 /nfs/dbraw/zinc/41/94/74/640419474.db2.gz ROVRJJZDXRHNEZ-LLVKDONJSA-N 0 3 286.322 2.113 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NCC(=O)NCC2CC2)cc1 ZINC000181295233 641535076 /nfs/dbraw/zinc/53/50/76/641535076.db2.gz LMXUTQGQUPFFDK-CYBMUJFWSA-N 0 3 289.423 2.320 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183487568 641750373 /nfs/dbraw/zinc/75/03/73/641750373.db2.gz DUAJTAKYAISBJK-ZIAGYGMSSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](C)N1CCOCC1 ZINC000183498191 641753868 /nfs/dbraw/zinc/75/38/68/641753868.db2.gz DRWMFKZCMWEPPH-HZSPNIEDSA-N 0 3 278.396 2.152 20 10 CECDHN C[C@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccccc1[O-] ZINC000183596027 641770435 /nfs/dbraw/zinc/77/04/35/641770435.db2.gz GFJHCBYUTBJBBD-LBPRGKRZSA-N 0 3 284.359 2.384 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([O-])c1 ZINC000850389072 642696753 /nfs/dbraw/zinc/69/67/53/642696753.db2.gz SRWNVKUOLNINIY-HUUCEWRRSA-N 0 3 277.364 2.184 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C/C=C/CO)c2c1c(F)ccc2[O-] ZINC000850507745 642734775 /nfs/dbraw/zinc/73/47/75/642734775.db2.gz HPGJXTGHONBQET-ONKIFHLLSA-N 0 3 251.301 2.218 20 10 CECDHN CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C)cc1[O-] ZINC000850547168 642748613 /nfs/dbraw/zinc/74/86/13/642748613.db2.gz BOIJZUZRUYEBKG-ZDUSSCGKSA-N 0 3 280.368 2.440 20 10 CECDHN C[C@H](NCc1ccc2c(c1)CCCO2)C(=O)N1CCCC1 ZINC000922092482 642874884 /nfs/dbraw/zinc/87/48/84/642874884.db2.gz VVZIFTANTYYTSW-ZDUSSCGKSA-N 0 3 288.391 2.112 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@@]2(CCSC2)C1 ZINC000877605296 650810756 /nfs/dbraw/zinc/81/07/56/650810756.db2.gz YYEUUUZLFCUUBW-HNNXBMFYSA-N 0 3 279.405 2.409 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000877622539 650817693 /nfs/dbraw/zinc/81/76/93/650817693.db2.gz PYEMGAWIFFFDLM-IBGZPJMESA-N 0 3 295.326 2.101 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877623112 650818615 /nfs/dbraw/zinc/81/86/15/650818615.db2.gz IVTFPQRRMUHPQD-IMJJTQAJSA-N 0 3 293.407 2.356 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@]13CCC[C@H]1OCC3)OCO2 ZINC000922698869 643211023 /nfs/dbraw/zinc/21/10/23/643211023.db2.gz OXUHEGYTTXPSNL-HZPDHXFCSA-N 0 3 291.347 2.170 20 10 CECDHN C[C@@H]([NH2+]CC1(N)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854224369 644016455 /nfs/dbraw/zinc/01/64/55/644016455.db2.gz VPIDQDNULMDGDG-SNVBAGLBSA-N 0 3 279.340 2.223 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCc2cn(C)cn2)c1[O-] ZINC000839150579 644158597 /nfs/dbraw/zinc/15/85/97/644158597.db2.gz ZHHAGYRHQKUWIF-UHFFFAOYSA-N 0 3 279.771 2.420 20 10 CECDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)C1CCC1 ZINC000839493211 644240121 /nfs/dbraw/zinc/24/01/21/644240121.db2.gz DXCLFALMFJNOGS-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC[C@@H]1CCOC1=O ZINC000877808472 650917257 /nfs/dbraw/zinc/91/72/57/650917257.db2.gz ZALIHTPYGQXFOK-GFCCVEGCSA-N 0 3 263.337 2.134 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCCO2)c([O-])c1 ZINC000756133692 644608952 /nfs/dbraw/zinc/60/89/52/644608952.db2.gz BHJJISQVTPLHGI-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000756526101 644658875 /nfs/dbraw/zinc/65/88/75/644658875.db2.gz FMDMJGYQXFWVBZ-JQWIXIFHSA-N 0 3 296.342 2.413 20 10 CECDHN COCCN(C)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756528720 644658922 /nfs/dbraw/zinc/65/89/22/644658922.db2.gz OZNJGXDDDMKMQN-AAEUAGOBSA-N 0 3 296.386 2.247 20 10 CECDHN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000756565203 644668546 /nfs/dbraw/zinc/66/85/46/644668546.db2.gz WUVQCBNLKACSKZ-RYUDHWBXSA-N 0 3 283.343 2.235 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756583612 644672443 /nfs/dbraw/zinc/67/24/43/644672443.db2.gz CIMWWDOKVZLHDL-XAGWURHQSA-N 0 3 297.370 2.457 20 10 CECDHN C[C@@H]([NH2+]CCCNc1ncccn1)c1cc(F)ccc1[O-] ZINC000756643527 644678201 /nfs/dbraw/zinc/67/82/01/644678201.db2.gz VLRYKWKFFJYTDW-LLVKDONJSA-N 0 3 290.342 2.474 20 10 CECDHN C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000756737711 644688631 /nfs/dbraw/zinc/68/86/31/644688631.db2.gz YHBUYEVPZBZECC-KKZNHRDASA-N 0 3 280.343 2.146 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756782066 644691469 /nfs/dbraw/zinc/69/14/69/644691469.db2.gz MCNPKYNMZFZRJU-ONGXEEELSA-N 0 3 294.370 2.441 20 10 CECDHN [NH3+][C@@]12CCC[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC000857226779 644859988 /nfs/dbraw/zinc/85/99/88/644859988.db2.gz ZDCRWAFHPONXSD-IINYFYTJSA-N 0 3 266.772 2.359 20 10 CECDHN Cc1nccn1CCNCc1cc(F)c(N(C)C)cc1F ZINC000858117501 645067105 /nfs/dbraw/zinc/06/71/05/645067105.db2.gz QDSYAEBTLURTOT-UHFFFAOYSA-N 0 3 294.349 2.326 20 10 CECDHN CN1CCCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000858245365 645097642 /nfs/dbraw/zinc/09/76/42/645097642.db2.gz RIIQMRSMCRMXIS-GFCCVEGCSA-N 0 3 293.367 2.122 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000858470572 645171168 /nfs/dbraw/zinc/17/11/68/645171168.db2.gz IZKHQCSLEMVYMS-STQMWFEESA-N 0 3 273.332 2.231 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1CCSC1 ZINC000768261316 646102495 /nfs/dbraw/zinc/10/24/95/646102495.db2.gz BGDPMJDDWAWHES-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1CCSC1 ZINC000768261316 646102499 /nfs/dbraw/zinc/10/24/99/646102499.db2.gz BGDPMJDDWAWHES-JTQLQIEISA-N 0 3 253.367 2.338 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769078602 646201634 /nfs/dbraw/zinc/20/16/34/646201634.db2.gz QKLPIELUMXXYSC-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769078602 646201636 /nfs/dbraw/zinc/20/16/36/646201636.db2.gz QKLPIELUMXXYSC-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN COC[C@]1(C)CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000863340398 646707691 /nfs/dbraw/zinc/70/76/91/646707691.db2.gz KOPDNFJCFVSRQJ-INIZCTEOSA-N 0 3 279.380 2.246 20 10 CECDHN C[C@H]1CC[C@H](NCc2c([O-])cccc2Cl)C[NH2+]1 ZINC000863484208 646740815 /nfs/dbraw/zinc/74/08/15/646740815.db2.gz IAZRDDVBPQZZES-UWVGGRQHSA-N 0 3 254.761 2.276 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000775360996 646945477 /nfs/dbraw/zinc/94/54/77/646945477.db2.gz OIODVUCGXNQCOH-ZIAGYGMSSA-N 0 3 265.353 2.184 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCN2CCC2)c1[O-] ZINC000776252986 647042665 /nfs/dbraw/zinc/04/26/65/647042665.db2.gz KFUZSRDMPKXBSM-UHFFFAOYSA-N 0 3 254.761 2.149 20 10 CECDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779106259 647288791 /nfs/dbraw/zinc/28/87/91/647288791.db2.gz BACBXJKHLVUVNG-QMTHXVAHSA-N 0 3 253.317 2.436 20 10 CECDHN CN(C)c1ccc(CN2CCC(O)(C(F)F)CC2)cc1 ZINC000779208081 647298040 /nfs/dbraw/zinc/29/80/40/647298040.db2.gz AWFQTTYIPHHLRB-UHFFFAOYSA-N 0 3 284.350 2.345 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(OC)CCC1 ZINC000779985164 647378113 /nfs/dbraw/zinc/37/81/13/647378113.db2.gz QJWKUDMOLVAGDT-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874476 647516179 /nfs/dbraw/zinc/51/61/79/647516179.db2.gz DSNFLKIDWYJKOT-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4CO[C@H]1[C@H]4C3)CC2 ZINC000866444722 647789355 /nfs/dbraw/zinc/78/93/55/647789355.db2.gz CARSTEFIICMIKE-KUEHYUKNSA-N 0 3 271.360 2.393 20 10 CECDHN C[C@H]([NH2+][C@@H](C)[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000866466075 647796501 /nfs/dbraw/zinc/79/65/01/647796501.db2.gz YUYLSYJPFRCTQO-LAEOZQHASA-N 0 3 263.259 2.355 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H](O)C[C@H]2C)c1O ZINC000788268589 648167399 /nfs/dbraw/zinc/16/73/99/648167399.db2.gz GKOWXGAKLVDDLX-KCJUWKMLSA-N 0 3 271.744 2.009 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1cccc(C)n1 ZINC000793203274 648722854 /nfs/dbraw/zinc/72/28/54/648722854.db2.gz WFLXDRRMWMRDOC-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2ncccc2[O-])c(O)c1 ZINC000793259016 648732733 /nfs/dbraw/zinc/73/27/33/648732733.db2.gz RLPXUKHDNAPVQR-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)CCn2cccn2)c([O-])c1 ZINC000793388513 648749198 /nfs/dbraw/zinc/74/91/98/648749198.db2.gz PFAMTCCWAAMACP-LBPRGKRZSA-N 0 3 275.352 2.166 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000794657569 648900310 /nfs/dbraw/zinc/90/03/10/648900310.db2.gz BGXPSEDQKSTCAO-WMLDXEAASA-N 0 3 291.391 2.389 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873230792 649602429 /nfs/dbraw/zinc/60/24/29/649602429.db2.gz YDPRVNWGZIYVND-KGLIPLIRSA-N 0 3 266.772 2.420 20 10 CECDHN C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccccc1[O-] ZINC000020128209 649728652 /nfs/dbraw/zinc/72/86/52/649728652.db2.gz FVHVXNUTTWVWOF-GFCCVEGCSA-N 0 3 282.347 2.328 20 10 CECDHN CCN(C#N)CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000878455288 651101573 /nfs/dbraw/zinc/10/15/73/651101573.db2.gz VJSIGSOQXAOZOQ-ZDUSSCGKSA-N 0 3 260.385 2.206 20 10 CECDHN Cc1cccnc1NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649683 651335215 /nfs/dbraw/zinc/33/52/15/651335215.db2.gz BZJFRPOPPNZWIS-GFCCVEGCSA-N 0 3 285.347 2.385 20 10 CECDHN CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651758 651336009 /nfs/dbraw/zinc/33/60/09/651336009.db2.gz JURGEQLKMRCNIW-SDDRHHMPSA-N 0 3 264.369 2.346 20 10 CECDHN CN(C)c1ccc(Cn2cc(CNC3CCCC3)nn2)cc1 ZINC000881272346 651657173 /nfs/dbraw/zinc/65/71/73/651657173.db2.gz UGARTYJRHAVZIH-UHFFFAOYSA-N 0 3 299.422 2.425 20 10 CECDHN Cc1cc(O)c(CN2CCN(C3CC3)CC2)cc1C ZINC000129094610 651800530 /nfs/dbraw/zinc/80/05/30/651800530.db2.gz MDUDNQSPBVCTIY-UHFFFAOYSA-N 0 3 260.381 2.289 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)CO1 ZINC000883255773 652416044 /nfs/dbraw/zinc/41/60/44/652416044.db2.gz DTPLNCIIFWHQOB-HNNXBMFYSA-N 0 3 291.391 2.458 20 10 CECDHN COc1cccc(C[N@H+](CCN(C)C)CC(C)C)c1[O-] ZINC000132550733 652531632 /nfs/dbraw/zinc/53/16/32/652531632.db2.gz UCNFNQJFGCZPBO-UHFFFAOYSA-N 0 3 280.412 2.420 20 10 CECDHN COc1cccc(C[N@@H+](CCN(C)C)CC(C)C)c1[O-] ZINC000132550733 652531633 /nfs/dbraw/zinc/53/16/33/652531633.db2.gz UCNFNQJFGCZPBO-UHFFFAOYSA-N 0 3 280.412 2.420 20 10 CECDHN C[NH+]1CCC2(CN(Cc3cc(F)c(F)cc3[O-])C2)CC1 ZINC001142527454 806620712 /nfs/dbraw/zinc/62/07/12/806620712.db2.gz VGBIXQMWLPJATG-UHFFFAOYSA-N 0 3 282.334 2.198 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724604143 803193551 /nfs/dbraw/zinc/19/35/51/803193551.db2.gz NCWQKSDOBKIQFW-HLSYRSCKSA-N 0 3 277.364 2.237 20 10 CECDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(N(C)C)cc1Cl ZINC001140921642 803606189 /nfs/dbraw/zinc/60/61/89/803606189.db2.gz LJRNDDXAVSPIFZ-ZWNOBZJWSA-N 0 3 268.788 2.361 20 10 CECDHN Cc1noc(C2CCN(Cc3cc(O)ccc3O)CC2)n1 ZINC001141161805 803761802 /nfs/dbraw/zinc/76/18/02/803761802.db2.gz YTBZANWCNOZXFZ-UHFFFAOYSA-N 0 3 289.335 2.169 20 10 CECDHN CCCNC(=O)[C@@H]1CCCCN1Cc1ccccc1O ZINC001203556383 808698977 /nfs/dbraw/zinc/69/89/77/808698977.db2.gz OFFAFQYRDDQWKM-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN Cc1noc([N-]C[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC001120965623 815302190 /nfs/dbraw/zinc/30/21/90/815302190.db2.gz MRBZXAFYYYQTAY-AWEZNQCLSA-N 0 3 289.383 2.159 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000606445374 810246891 /nfs/dbraw/zinc/24/68/91/810246891.db2.gz COIWCSHGOACOKG-CHWSQXEVSA-N 0 3 297.420 2.146 20 10 CECDHN C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC001122258411 815396947 /nfs/dbraw/zinc/39/69/47/815396947.db2.gz UXSDNVBNRRQUDP-GFCCVEGCSA-N 0 3 282.359 2.172 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C1CCC(S(C)(=O)=O)CC1 ZINC001169892019 811714269 /nfs/dbraw/zinc/71/42/69/811714269.db2.gz IQVUUGHSOGSUPQ-UHFFFAOYSA-N 0 3 297.420 2.180 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(S(C)(=O)=O)CC1 ZINC001169892019 811714276 /nfs/dbraw/zinc/71/42/76/811714276.db2.gz IQVUUGHSOGSUPQ-UHFFFAOYSA-N 0 3 297.420 2.180 20 10 CECDHN CCc1cccc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000691460809 811860328 /nfs/dbraw/zinc/86/03/28/811860328.db2.gz SJAXWKQHJUOKDQ-SECBINFHSA-N 0 3 260.341 2.232 20 10 CECDHN Cc1cc(CNCc2ccc3c(c2)CCCN3C)n(C)n1 ZINC000390534301 813266569 /nfs/dbraw/zinc/26/65/69/813266569.db2.gz ZOZOKOGVZXUZOH-UHFFFAOYSA-N 0 3 284.407 2.401 20 10 CECDHN CN1C[C@H]2CCC[N@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137838896 815695935 /nfs/dbraw/zinc/69/59/35/815695935.db2.gz MEERLONKGVDFAF-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN CN1C[C@H]2CCC[N@@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137838896 815695939 /nfs/dbraw/zinc/69/59/39/815695939.db2.gz MEERLONKGVDFAF-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN Cc1c(CN2CC(N(C)C)C2)c2ccccc2n1C ZINC001138252389 815754712 /nfs/dbraw/zinc/75/47/12/815754712.db2.gz FIXZZXINRPPBGV-UHFFFAOYSA-N 0 3 257.381 2.233 20 10 CECDHN Cc1c(CN2CC(C(=O)N(C)C)C2)c2ccccc2n1C ZINC001138257023 815756171 /nfs/dbraw/zinc/75/61/71/815756171.db2.gz SIRXOCQWGXVPIR-UHFFFAOYSA-N 0 3 285.391 2.007 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173755015 815811321 /nfs/dbraw/zinc/81/13/21/815811321.db2.gz FWZNBLHHGMSPSS-JHJVBQTASA-N 0 3 287.367 2.213 20 10 CECDHN [O-]c1cccc2c1C[N@H+](Cc1ccc(OCCO)cc1)CC2 ZINC001138797016 815903363 /nfs/dbraw/zinc/90/33/63/815903363.db2.gz WTPAHGAZUZRROX-UHFFFAOYSA-N 0 3 299.370 2.322 20 10 CECDHN [O-]c1cccc2c1C[N@@H+](Cc1ccc(OCCO)cc1)CC2 ZINC001138797016 815903367 /nfs/dbraw/zinc/90/33/67/815903367.db2.gz WTPAHGAZUZRROX-UHFFFAOYSA-N 0 3 299.370 2.322 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140063716 816182885 /nfs/dbraw/zinc/18/28/85/816182885.db2.gz WWNMXGTVBPDQMD-YGRLFVJLSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001140063716 816182887 /nfs/dbraw/zinc/18/28/87/816182887.db2.gz WWNMXGTVBPDQMD-YGRLFVJLSA-N 0 3 251.301 2.142 20 10 CECDHN Cc1ccc(C)c(CN2CCN(c3ccncn3)CC2)c1O ZINC001140184036 816205779 /nfs/dbraw/zinc/20/57/79/816205779.db2.gz KTEIBMDKDHAQNJ-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001140952093 816423739 /nfs/dbraw/zinc/42/37/39/816423739.db2.gz DYBWMJMYDAOBMN-KRWDZBQOSA-N 0 3 288.391 2.287 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@@]23CC(=O)N(C)C3)c([O-])c1 ZINC001140952093 816423746 /nfs/dbraw/zinc/42/37/46/816423746.db2.gz DYBWMJMYDAOBMN-KRWDZBQOSA-N 0 3 288.391 2.287 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032317 816453043 /nfs/dbraw/zinc/45/30/43/816453043.db2.gz XYSZINKVQTVDMG-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c(OC)c1 ZINC001141032317 816453046 /nfs/dbraw/zinc/45/30/46/816453046.db2.gz XYSZINKVQTVDMG-FZMZJTMJSA-N 0 3 295.379 2.002 20 10 CECDHN CN1CCOc2cc(CN3CCN(C)C(C)(C)C3)ccc21 ZINC001141143538 816485296 /nfs/dbraw/zinc/48/52/96/816485296.db2.gz CXUBPFKFECKBSL-UHFFFAOYSA-N 0 3 289.423 2.041 20 10 CECDHN CC(C)OCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879577 362126889 /nfs/dbraw/zinc/12/68/89/362126889.db2.gz YPOPWJUIXAUNNY-UHFFFAOYSA-N 0 3 267.325 2.026 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000237208503 344600273 /nfs/dbraw/zinc/60/02/73/344600273.db2.gz LLNVDHNIAQKQJK-HNNXBMFYSA-N 0 3 287.359 2.094 20 10 CECDHN COc1cccc(CN2CCCO[C@@H](C)C2)c1O ZINC000134155752 366292751 /nfs/dbraw/zinc/29/27/51/366292751.db2.gz RUFXKWSBZMKNBS-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CN(C)c1ccc(CN2CCS[C@@H]3COCC[C@@H]32)cc1 ZINC000091855631 364073177 /nfs/dbraw/zinc/07/31/77/364073177.db2.gz QHLHAPBHPGJOGN-JKSUJKDBSA-N 0 3 292.448 2.459 20 10 CECDHN COc1cccc(CN2CCC[C@H](n3cccn3)C2)c1O ZINC000092967973 364125355 /nfs/dbraw/zinc/12/53/55/364125355.db2.gz MHTQBLIHZASCHB-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479868 364190032 /nfs/dbraw/zinc/19/00/32/364190032.db2.gz APPHBWIBSWJOFT-OCZCAGDBSA-N 0 3 261.365 2.293 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1 ZINC000093479868 364190041 /nfs/dbraw/zinc/19/00/41/364190041.db2.gz APPHBWIBSWJOFT-OCZCAGDBSA-N 0 3 261.365 2.293 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)C(C)C)cc1F ZINC000167742372 367342526 /nfs/dbraw/zinc/34/25/26/367342526.db2.gz PXVSETRGMDFFGZ-HNNXBMFYSA-N 0 3 295.402 2.271 20 10 CECDHN C[C@@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515839 367354725 /nfs/dbraw/zinc/35/47/25/367354725.db2.gz IRNMNHHTHYJJGL-PZROIBLQSA-N 0 3 268.426 2.170 20 10 CECDHN CCS(=O)(=O)CCCCCN(C)Cc1ccccc1O ZINC000190860857 369656170 /nfs/dbraw/zinc/65/61/70/369656170.db2.gz YKMYOCAWBAQEEC-UHFFFAOYSA-N 0 3 299.436 2.429 20 10 CECDHN C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc(N(C)C)cc1 ZINC000269056276 296148403 /nfs/dbraw/zinc/14/84/03/296148403.db2.gz WUQBDPZFDWTDLT-QWHCGFSZSA-N 0 3 273.384 2.083 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191726761 369737469 /nfs/dbraw/zinc/73/74/69/369737469.db2.gz QCIIORDGWWMNFH-KOLCDFICSA-N 0 3 285.771 2.114 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191726761 369737472 /nfs/dbraw/zinc/73/74/72/369737472.db2.gz QCIIORDGWWMNFH-KOLCDFICSA-N 0 3 285.771 2.114 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000191956893 369757547 /nfs/dbraw/zinc/75/75/47/369757547.db2.gz YFRUSJQNHSCXHP-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1[O-] ZINC000191956893 369757548 /nfs/dbraw/zinc/75/75/48/369757548.db2.gz YFRUSJQNHSCXHP-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226585177 370347226 /nfs/dbraw/zinc/34/72/26/370347226.db2.gz DNUTZQRRQBOVKY-ZIAGYGMSSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226585177 370347228 /nfs/dbraw/zinc/34/72/28/370347228.db2.gz DNUTZQRRQBOVKY-ZIAGYGMSSA-N 0 3 264.344 2.248 20 10 CECDHN C[C@@H]1CCN(C(=O)C2=CC[C@H]([NH3+])C2)c2c([O-])cccc21 ZINC000638317612 370442666 /nfs/dbraw/zinc/44/26/66/370442666.db2.gz MLVJHBZSRXJFEB-PWSUYJOCSA-N 0 3 272.348 2.280 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249874330 371369066 /nfs/dbraw/zinc/36/90/66/371369066.db2.gz GRBRRFOVURUJBQ-GUTXKFCHSA-N 0 3 263.337 2.058 20 10 CECDHN CCOC[C@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265062961 372012863 /nfs/dbraw/zinc/01/28/63/372012863.db2.gz ZFQQMBOEDYVVFQ-QGZVFWFLSA-N 0 3 292.423 2.114 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H](CCO)COC)cc1 ZINC000268995710 372308793 /nfs/dbraw/zinc/30/87/93/372308793.db2.gz IHPWXTVHGRSLDK-HIFRSBDPSA-N 0 3 280.412 2.191 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000271114084 373127749 /nfs/dbraw/zinc/12/77/49/373127749.db2.gz VPGSQUXGOBAZJG-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000271114084 373127757 /nfs/dbraw/zinc/12/77/57/373127757.db2.gz VPGSQUXGOBAZJG-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c([O-])c1 ZINC000271279568 373187496 /nfs/dbraw/zinc/18/74/96/373187496.db2.gz LTBPWZQOCBBGRX-WBMJQRKESA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@H](O)[C@H](CC)C2)c([O-])c1 ZINC000271279568 373187505 /nfs/dbraw/zinc/18/75/05/373187505.db2.gz LTBPWZQOCBBGRX-WBMJQRKESA-N 0 3 279.380 2.384 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(OC)c2[O-])CC1(C)C ZINC000371458593 373889088 /nfs/dbraw/zinc/88/90/88/373889088.db2.gz LGFLJOZOKJWHEL-GFCCVEGCSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(OC)c2[O-])CC1(C)C ZINC000371458593 373889094 /nfs/dbraw/zinc/88/90/94/373889094.db2.gz LGFLJOZOKJWHEL-GFCCVEGCSA-N 0 3 293.363 2.032 20 10 CECDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375410237 374657799 /nfs/dbraw/zinc/65/77/99/374657799.db2.gz GCNIGIZPKOSSGV-UXLLHSPISA-N 0 3 291.391 2.144 20 10 CECDHN C[C@]1(O)CCOC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375410237 374657804 /nfs/dbraw/zinc/65/78/04/374657804.db2.gz GCNIGIZPKOSSGV-UXLLHSPISA-N 0 3 291.391 2.144 20 10 CECDHN CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000281113789 375355514 /nfs/dbraw/zinc/35/55/14/375355514.db2.gz BNDDLWOFBFTNRH-LBPRGKRZSA-N 0 3 279.336 2.122 20 10 CECDHN CCCCN(CCCS(C)(=O)=O)Cc1ccccc1O ZINC000282564130 375519227 /nfs/dbraw/zinc/51/92/27/375519227.db2.gz YSJMSCKXUSEYLH-UHFFFAOYSA-N 0 3 299.436 2.429 20 10 CECDHN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000284404818 375827077 /nfs/dbraw/zinc/82/70/77/375827077.db2.gz PYWXULUBIKXCAW-HUBLWGQQSA-N 0 3 281.396 2.201 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000285447665 375837350 /nfs/dbraw/zinc/83/73/50/375837350.db2.gz ZHXVNIJRWSBLMV-ZENOOKHLSA-N 0 3 279.380 2.200 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000285366485 375838064 /nfs/dbraw/zinc/83/80/64/375838064.db2.gz VUMKVGLTAOAZOP-NEPJUHHUSA-N 0 3 282.359 2.134 20 10 CECDHN CCOc1cccc(CNCc2n[nH]c(C3CC3)n2)c1O ZINC000294696961 378014204 /nfs/dbraw/zinc/01/42/04/378014204.db2.gz CQNYIARWYNIPJP-UHFFFAOYSA-N 0 3 288.351 2.076 20 10 CECDHN COc1ccc(CC[NH2+]Cc2cccc(OC)c2[O-])cn1 ZINC000527793570 379815497 /nfs/dbraw/zinc/81/54/97/379815497.db2.gz MHZKISVEQPTZBB-UHFFFAOYSA-N 0 3 288.347 2.137 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1 ZINC000529667919 380183540 /nfs/dbraw/zinc/18/35/40/380183540.db2.gz BNZVELHFXPTMAE-DDIVZENXSA-N 0 3 265.353 2.302 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000186029799 262076162 /nfs/dbraw/zinc/07/61/62/262076162.db2.gz ZMOCEMRNESHUQO-RYUDHWBXSA-N 0 3 285.409 2.174 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccco2)c1 ZINC000266134889 394659825 /nfs/dbraw/zinc/65/98/25/394659825.db2.gz FGHROITZQFPODF-OAHLLOKOSA-N 0 3 261.321 2.291 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c1 ZINC000093813972 394668125 /nfs/dbraw/zinc/66/81/25/394668125.db2.gz JWGYHKALADFLAM-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c1 ZINC000093813972 394668131 /nfs/dbraw/zinc/66/81/31/394668131.db2.gz JWGYHKALADFLAM-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CC[S@](C)=O)c1[O-] ZINC000125566814 394843915 /nfs/dbraw/zinc/84/39/15/394843915.db2.gz BGCMNPWYVLVSIQ-NSPYISDASA-N 0 3 285.409 2.038 20 10 CECDHN CCOc1cccc(C[NH+]2CCC(OC)CC2)c1[O-] ZINC000132148167 394924963 /nfs/dbraw/zinc/92/49/63/394924963.db2.gz KKGGNTMJFDWQEF-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1 ZINC000365835674 394933901 /nfs/dbraw/zinc/93/39/01/394933901.db2.gz UWQORKKCZTWWDK-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(CN2CCN(Cc3cccnc3)CC2)c1O ZINC000182054364 395230824 /nfs/dbraw/zinc/23/08/24/395230824.db2.gz KFRYWYNTJQSDIK-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN C[C@@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000293604086 395243290 /nfs/dbraw/zinc/24/32/90/395243290.db2.gz IYYJJECKPPCFQC-QWRGUYRKSA-N 0 3 281.356 2.149 20 10 CECDHN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565458 395194893 /nfs/dbraw/zinc/19/48/93/395194893.db2.gz NATMZWNRCPWXFK-ZDUSSCGKSA-N 0 3 292.379 2.491 20 10 CECDHN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565458 395194898 /nfs/dbraw/zinc/19/48/98/395194898.db2.gz NATMZWNRCPWXFK-ZDUSSCGKSA-N 0 3 292.379 2.491 20 10 CECDHN C[C@@H]([NH2+]CCSCCCO)c1ccccc1[O-] ZINC000183498830 395257866 /nfs/dbraw/zinc/25/78/66/395257866.db2.gz GUOLSBKOTVZZOQ-LLVKDONJSA-N 0 3 255.383 2.158 20 10 CECDHN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000293951516 395259191 /nfs/dbraw/zinc/25/91/91/395259191.db2.gz IUQOZPNDBNFQRZ-QMTHXVAHSA-N 0 3 253.317 2.172 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000183565307 395259639 /nfs/dbraw/zinc/25/96/39/395259639.db2.gz NAKMHBUUNRDXIB-NEPJUHHUSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1ccnn1C ZINC000192246849 395378219 /nfs/dbraw/zinc/37/82/19/395378219.db2.gz LYSNYTHIHGDULQ-LBPRGKRZSA-N 0 3 258.369 2.337 20 10 CECDHN COc1ccc([O-])c(C[N@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000289537140 286338239 /nfs/dbraw/zinc/33/82/39/286338239.db2.gz QFEMIWNYVAKSSL-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](CC2CCC2)[C@@H](C)CO)c1 ZINC000289537140 286338241 /nfs/dbraw/zinc/33/82/41/286338241.db2.gz QFEMIWNYVAKSSL-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297794716 286713850 /nfs/dbraw/zinc/71/38/50/286713850.db2.gz QBMMJPIAADOBRT-UFGOTCBOSA-N 0 3 267.394 2.082 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000156689506 261129402 /nfs/dbraw/zinc/12/94/02/261129402.db2.gz KHHFQEYNAPNFDA-SMDDNHRTSA-N 0 3 274.364 2.196 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000156689120 261129790 /nfs/dbraw/zinc/12/97/90/261129790.db2.gz KHHFQEYNAPNFDA-RISCZKNCSA-N 0 3 274.364 2.196 20 10 CECDHN C[C@H](CC(=O)N(C)C)NCc1ccc(N2CCCC2)cc1 ZINC000177975023 261372917 /nfs/dbraw/zinc/37/29/17/261372917.db2.gz LTASMXYYHVYKBV-CQSZACIVSA-N 0 3 289.423 2.243 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000185787715 262070728 /nfs/dbraw/zinc/07/07/28/262070728.db2.gz OUNCJKXXZXSYOU-QWHCGFSZSA-N 0 3 276.380 2.362 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000185787737 262070928 /nfs/dbraw/zinc/07/09/28/262070928.db2.gz OUNCJKXXZXSYOU-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN [O-]c1cccc(Cl)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219803436 262350694 /nfs/dbraw/zinc/35/06/94/262350694.db2.gz ZXRQOEYLIVQYCS-GXFFZTMASA-N 0 3 266.772 2.229 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293604505 263144226 /nfs/dbraw/zinc/14/42/26/263144226.db2.gz JNKUEAJDPACHRH-UHFFFAOYSA-N 0 3 263.337 2.121 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)C2(N)CCC2)cc1F ZINC000296112146 263185833 /nfs/dbraw/zinc/18/58/33/263185833.db2.gz SKZZJGVWOZVEFH-UHFFFAOYSA-N 0 3 293.386 2.170 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368043500 267141239 /nfs/dbraw/zinc/14/12/39/267141239.db2.gz QBBRMMIKTAWDKT-RYUDHWBXSA-N 0 3 277.364 2.430 20 10 CECDHN O=C1NC[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000368214843 267153023 /nfs/dbraw/zinc/15/30/23/267153023.db2.gz HIXONSZFGZNYKW-UKRRQHHQSA-N 0 3 296.370 2.113 20 10 CECDHN O=C1NC[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000368214843 267153025 /nfs/dbraw/zinc/15/30/25/267153025.db2.gz HIXONSZFGZNYKW-UKRRQHHQSA-N 0 3 296.370 2.113 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000370395858 267316353 /nfs/dbraw/zinc/31/63/53/267316353.db2.gz JOERGYOFTLGWFX-JQWIXIFHSA-N 0 3 287.363 2.332 20 10 CECDHN CN(C)c1ccc(C2=CCN([C@H]3CCOC3)C2)cc1 ZINC000370743257 267344188 /nfs/dbraw/zinc/34/41/88/267344188.db2.gz UYVXZIVJWVAWKH-INIZCTEOSA-N 0 3 258.365 2.241 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000376856311 268024482 /nfs/dbraw/zinc/02/44/82/268024482.db2.gz NWAYWALZNCRGGT-LLVKDONJSA-N 0 3 277.755 2.416 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@@]3(CCO[C@@H]3C)C2)cc1C ZINC000377272318 268062868 /nfs/dbraw/zinc/06/28/68/268062868.db2.gz BLQAYBTWSHZDKF-PBHICJAKSA-N 0 3 291.391 2.389 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1C ZINC000264591450 279236738 /nfs/dbraw/zinc/23/67/38/279236738.db2.gz AVQGAWWUNSWFSW-MRXNPFEDSA-N 0 3 289.423 2.195 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)[C@@H]2CCCO2)c([O-])c1C ZINC000527959836 313221230 /nfs/dbraw/zinc/22/12/30/313221230.db2.gz ZIILHJPCHHQMQN-QEJZJMRPSA-N 0 3 279.380 2.200 20 10 CECDHN CC(C)[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000378140097 329041218 /nfs/dbraw/zinc/04/12/18/329041218.db2.gz YNXMQFBAYJWPRW-OAHLLOKOSA-N 0 3 267.344 2.372 20 10 CECDHN CC(C)[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000378140097 329041220 /nfs/dbraw/zinc/04/12/20/329041220.db2.gz YNXMQFBAYJWPRW-OAHLLOKOSA-N 0 3 267.344 2.372 20 10 CECDHN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1[O-] ZINC000272861336 328201092 /nfs/dbraw/zinc/20/10/92/328201092.db2.gz MXZVZROCIBONSB-KWQFWETISA-N 0 3 263.259 2.356 20 10 CECDHN COc1cccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273090081 328203982 /nfs/dbraw/zinc/20/39/82/328203982.db2.gz KUWKAAOCLHJROT-HOTGVXAUSA-N 0 3 277.364 2.448 20 10 CECDHN COc1cccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)c1[O-] ZINC000273090085 328204020 /nfs/dbraw/zinc/20/40/20/328204020.db2.gz KUWKAAOCLHJROT-JKSUJKDBSA-N 0 3 277.364 2.448 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000294002336 327194575 /nfs/dbraw/zinc/19/45/75/327194575.db2.gz MHLSOKBPUJHNHG-XHDPSFHLSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1 ZINC000378129362 329041040 /nfs/dbraw/zinc/04/10/40/329041040.db2.gz MDDDXJRNMAIRNC-MRXNPFEDSA-N 0 3 279.380 2.241 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1 ZINC000378129362 329041042 /nfs/dbraw/zinc/04/10/42/329041042.db2.gz MDDDXJRNMAIRNC-MRXNPFEDSA-N 0 3 279.380 2.241 20 10 CECDHN COC[C@H](C)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228672591 329344447 /nfs/dbraw/zinc/34/44/47/329344447.db2.gz KJCGVIXZSGPSJS-SECBINFHSA-N 0 3 273.760 2.426 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@](C)(OC)C2)c1[O-] ZINC000230300016 333316038 /nfs/dbraw/zinc/31/60/38/333316038.db2.gz WTJLJSYQTNFWQI-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@](C)(OC)C2)c1[O-] ZINC000230300016 333316039 /nfs/dbraw/zinc/31/60/39/333316039.db2.gz WTJLJSYQTNFWQI-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000529668474 333504743 /nfs/dbraw/zinc/50/47/43/333504743.db2.gz GHOABQDYDPCGAD-PUXPGTEJSA-N 0 3 253.317 2.433 20 10 CECDHN [O-]c1cccc2c1[C@@H](N[C@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217565 333528584 /nfs/dbraw/zinc/52/85/84/333528584.db2.gz UAVNJYAOGDBZSK-JSGCOSHPSA-N 0 3 258.365 2.254 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000188045407 520214479 /nfs/dbraw/zinc/21/44/79/520214479.db2.gz IDLDYZRNTCGIPX-JTQLQIEISA-N 0 3 284.787 2.310 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(CC)C[C@H]2C)c1 ZINC000289577968 521144441 /nfs/dbraw/zinc/14/44/41/521144441.db2.gz JVQBDGBTSMGZLS-CYBMUJFWSA-N 0 3 278.396 2.317 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC(O)(CC)CC)c1 ZINC000236866048 521151047 /nfs/dbraw/zinc/15/10/47/521151047.db2.gz OZZJHLBVDHFUCC-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000227959759 521361425 /nfs/dbraw/zinc/36/14/25/521361425.db2.gz QIGGKAFDIYPRIF-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN CCN1CCCC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000104136586 521598312 /nfs/dbraw/zinc/59/83/12/521598312.db2.gz WPELUGFCSZMHTF-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN CN(C)c1ccc(CN2CCC(C3OCCO3)CC2)cc1 ZINC000130040169 522176626 /nfs/dbraw/zinc/17/66/26/522176626.db2.gz KOGDKHODTPKTFF-UHFFFAOYSA-N 0 3 290.407 2.338 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)cc1 ZINC000258668337 522181419 /nfs/dbraw/zinc/18/14/19/522181419.db2.gz FIYJMESILUFERO-OAHLLOKOSA-N 0 3 262.397 2.345 20 10 CECDHN COC[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCCO1 ZINC000278757338 522365472 /nfs/dbraw/zinc/36/54/72/522365472.db2.gz WZOCXDAUIKYBJL-CVEARBPZSA-N 0 3 278.396 2.036 20 10 CECDHN CC[C@H]([NH2+]CCCOCCO)c1ccc(C)cc1[O-] ZINC000280095473 522582680 /nfs/dbraw/zinc/58/26/80/522582680.db2.gz MSKZNLOHLRRPMB-AWEZNQCLSA-N 0 3 267.369 2.140 20 10 CECDHN CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccccc1[O-] ZINC000271664726 522597442 /nfs/dbraw/zinc/59/74/42/522597442.db2.gz FANJOSMXZSPXSE-ZDUSSCGKSA-N 0 3 285.409 2.256 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCCO1 ZINC000278659757 522759894 /nfs/dbraw/zinc/75/98/94/522759894.db2.gz FHZYLGQBHUXCRL-WHOFXGATSA-N 0 3 265.353 2.237 20 10 CECDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291049328 522768698 /nfs/dbraw/zinc/76/86/98/522768698.db2.gz GWNQJXQTBJFJFS-CYBMUJFWSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCOC2)cc1OC ZINC000291049328 522768709 /nfs/dbraw/zinc/76/87/09/522768709.db2.gz GWNQJXQTBJFJFS-CYBMUJFWSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCOC(C)(C)C2)cc1OC ZINC000127237234 522780903 /nfs/dbraw/zinc/78/09/03/522780903.db2.gz NTQLBHQMGYGABB-LBPRGKRZSA-N 0 3 295.379 2.457 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H](CO)C2CCCC2)cc1OC ZINC000291010238 522780949 /nfs/dbraw/zinc/78/09/49/522780949.db2.gz WTQOFIFUVFWOEL-CYBMUJFWSA-N 0 3 295.379 2.050 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000279975998 522816097 /nfs/dbraw/zinc/81/60/97/522816097.db2.gz DIITUHXCTHOMNP-CYBMUJFWSA-N 0 3 264.369 2.266 20 10 CECDHN CC[C@@H](N[C@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000290189059 522954442 /nfs/dbraw/zinc/95/44/42/522954442.db2.gz ODQMTVHIFBGAKE-PMPSAXMXSA-N 0 3 278.396 2.207 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276106915 523181910 /nfs/dbraw/zinc/18/19/10/523181910.db2.gz XCUJMOSKZFMCIZ-JOCQHMNTSA-N 0 3 253.317 2.267 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276106915 523181918 /nfs/dbraw/zinc/18/19/18/523181918.db2.gz XCUJMOSKZFMCIZ-JOCQHMNTSA-N 0 3 253.317 2.267 20 10 CECDHN Cc1cc(CN2CCC[C@@H](n3cncn3)C2)ccc1N(C)C ZINC000292941226 524686528 /nfs/dbraw/zinc/68/65/28/524686528.db2.gz BLJRJTCPSWZDFO-MRXNPFEDSA-N 0 3 299.422 2.490 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCCOCC2CC2)c1 ZINC000020191322 524750752 /nfs/dbraw/zinc/75/07/52/524750752.db2.gz CYLSFVFTGGNYPR-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN COc1ccc(O)c(CNCc2ccc3c(c2)OCO3)c1 ZINC000020124485 524753432 /nfs/dbraw/zinc/75/34/32/524753432.db2.gz LXBVVVJWOGHSIZ-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN C[C@@H](CO)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280288901 524805215 /nfs/dbraw/zinc/80/52/15/524805215.db2.gz NIVZUYFSYIQLNB-VIFPVBQESA-N 0 3 276.302 2.242 20 10 CECDHN C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000279703713 525305879 /nfs/dbraw/zinc/30/58/79/525305879.db2.gz RNWUOQNHWKYRIS-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN C[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000279703713 525305885 /nfs/dbraw/zinc/30/58/85/525305885.db2.gz RNWUOQNHWKYRIS-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280574184 525347181 /nfs/dbraw/zinc/34/71/81/525347181.db2.gz WCOFVRXRIBNDPG-ZQIUZPCESA-N 0 3 291.391 2.469 20 10 CECDHN C[C@@H]([NH2+]C1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000094617082 525400949 /nfs/dbraw/zinc/40/09/49/525400949.db2.gz AQLHZAYEIVNBNK-SNVBAGLBSA-N 0 3 252.333 2.276 20 10 CECDHN COc1cccc(C[N@H+](C)CCCn2ccnc2)c1[O-] ZINC000290328777 525914162 /nfs/dbraw/zinc/91/41/62/525914162.db2.gz DNRCVZHJXAWYKS-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN COc1cccc(C[N@@H+](C)CCCn2ccnc2)c1[O-] ZINC000290328777 525914165 /nfs/dbraw/zinc/91/41/65/525914165.db2.gz DNRCVZHJXAWYKS-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN COc1cccc(CN[C@H](CO)c2ccc(F)cc2)c1O ZINC000265256296 526037025 /nfs/dbraw/zinc/03/70/25/526037025.db2.gz PUUGYMVVIXAXKA-CQSZACIVSA-N 0 3 291.322 2.363 20 10 CECDHN [O-]c1ccccc1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000278564698 527523878 /nfs/dbraw/zinc/52/38/78/527523878.db2.gz CXMLWFHFTBYCMR-UHFFFAOYSA-N 0 3 261.365 2.425 20 10 CECDHN CC[C@@H](NCc1ccc(OC)c(C)c1)[C@@H](O)C(F)F ZINC000295071651 529184217 /nfs/dbraw/zinc/18/42/17/529184217.db2.gz PIEZKJMGJPLFAW-DGCLKSJQSA-N 0 3 273.323 2.498 20 10 CECDHN CCN(CC)c1ccc(CNC[C@H]2COCCO2)cc1F ZINC000740004727 574938792 /nfs/dbraw/zinc/93/87/92/574938792.db2.gz UIJXSGRZEULUOW-AWEZNQCLSA-N 0 3 296.386 2.177 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1cccs1 ZINC000740014578 574938981 /nfs/dbraw/zinc/93/89/81/574938981.db2.gz NUFZAMQVRYNHNV-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccsc1 ZINC000740899576 574970959 /nfs/dbraw/zinc/97/09/59/574970959.db2.gz JGYCJEMBXMOBIG-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN CCN(C)c1ccc(CN(CCOC)CCOC)cc1 ZINC000741752936 574996283 /nfs/dbraw/zinc/99/62/83/574996283.db2.gz JOFGHDFROSEXOI-UHFFFAOYSA-N 0 3 280.412 2.238 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC=CC3)C1)CCC2 ZINC000742161935 575007958 /nfs/dbraw/zinc/00/79/58/575007958.db2.gz APTZBBWBFDIZIV-QGZVFWFLSA-N 0 3 284.403 2.327 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](N3CC=CC3)C1)CCC2 ZINC000742161935 575007960 /nfs/dbraw/zinc/00/79/60/575007960.db2.gz APTZBBWBFDIZIV-QGZVFWFLSA-N 0 3 284.403 2.327 20 10 CECDHN COCCOC[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000742377400 575018712 /nfs/dbraw/zinc/01/87/12/575018712.db2.gz UFBFXZMCGALWNV-GFCCVEGCSA-N 0 3 284.375 2.033 20 10 CECDHN C/C=C(\C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253350 623328881 /nfs/dbraw/zinc/32/88/81/623328881.db2.gz RKASMKXZTJJYEQ-UDYBNVKDSA-N 0 3 289.423 2.438 20 10 CECDHN COc1ccc(CN2CCS[C@H](C)C2)c(O)c1OC ZINC000891926790 624104531 /nfs/dbraw/zinc/10/45/31/624104531.db2.gz ZUUYHMIZZIQKIM-SNVBAGLBSA-N 0 3 283.393 2.347 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000840957853 628900841 /nfs/dbraw/zinc/90/08/41/628900841.db2.gz GKJPUTWIOZGMQQ-ZJUUUORDSA-N 0 3 253.367 2.384 20 10 CECDHN CC[C@H]([NH2+]C[C@@](C)(O)COC)c1ccc(C)cc1[O-] ZINC000794811349 629326298 /nfs/dbraw/zinc/32/62/98/629326298.db2.gz WZQHTSCGJKKEGB-DZGCQCFKSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@@H](C)NC(=O)[C@H](C)NCc1cc(C)cc(OC)c1O ZINC000894386649 629418832 /nfs/dbraw/zinc/41/88/32/629418832.db2.gz KPXMEFDLQJBLHA-NEPJUHHUSA-N 0 3 294.395 2.102 20 10 CECDHN COc1ccc(N2CC[C@@H](Nc3nc(C)cc(N)n3)C2)cc1 ZINC000894484110 629487814 /nfs/dbraw/zinc/48/78/14/629487814.db2.gz CFBTYIRMFHTDPJ-GFCCVEGCSA-N 0 3 299.378 2.067 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3CCC[C@@H]31)[C@H](O)CO2 ZINC000902652181 634766908 /nfs/dbraw/zinc/76/69/08/634766908.db2.gz QIKCXIMGTCCERR-VZJVUDMVSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3CCC[C@@H]31)[C@H](O)CO2 ZINC000902652181 634766912 /nfs/dbraw/zinc/76/69/12/634766912.db2.gz QIKCXIMGTCCERR-VZJVUDMVSA-N 0 3 275.348 2.192 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000796497693 629918876 /nfs/dbraw/zinc/91/88/76/629918876.db2.gz ODAOFKPHYRACIQ-NEPJUHHUSA-N 0 3 265.353 2.163 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000895459734 630202591 /nfs/dbraw/zinc/20/25/91/630202591.db2.gz HNBOMDFUJUJMDN-TUAOUCFPSA-N 0 3 263.337 2.385 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])[C@H]1OC ZINC000895851975 630376879 /nfs/dbraw/zinc/37/68/79/630376879.db2.gz LXDPXNDOBLEKBS-PZTHBURQSA-N 0 3 265.353 2.235 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCCN3CCSC[C@H]23)c([O-])c1 ZINC000896427952 630562592 /nfs/dbraw/zinc/56/25/92/630562592.db2.gz IVBMTUWAHOXXFU-HUUCEWRRSA-N 0 3 292.448 2.370 20 10 CECDHN [O-]c1cccc(F)c1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636490 630620453 /nfs/dbraw/zinc/62/04/53/630620453.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636490 630620455 /nfs/dbraw/zinc/62/04/55/630620455.db2.gz DIWKUYKHRASDIA-RYUDHWBXSA-N 0 3 264.344 2.248 20 10 CECDHN C[C@H]([NH2+]C[C@H](CO)c1cccnc1)c1ccccc1[O-] ZINC000806178829 631724734 /nfs/dbraw/zinc/72/47/34/631724734.db2.gz JOIYHIZSTRVELO-GXTWGEPZSA-N 0 3 272.348 2.214 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697837 632003310 /nfs/dbraw/zinc/00/33/10/632003310.db2.gz WTCKVEBFYYLOHK-ZYHUDNBSSA-N 0 3 287.787 2.402 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172466 632080537 /nfs/dbraw/zinc/08/05/37/632080537.db2.gz KCNVVPYHQWPRMG-UHFFFAOYSA-N 0 3 257.333 2.217 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C)cc1[O-] ZINC000927125571 632472966 /nfs/dbraw/zinc/47/29/66/632472966.db2.gz AEFLQSGFOYWOGQ-BBRMVZONSA-N 0 3 289.379 2.208 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898387891 632478029 /nfs/dbraw/zinc/47/80/29/632478029.db2.gz UJZMUNHXIXTNJC-NVXWUHKLSA-N 0 3 269.344 2.449 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCOC1CCSCC1 ZINC000898442839 632500995 /nfs/dbraw/zinc/50/09/95/632500995.db2.gz SWGHJMUUNJKJCH-UHFFFAOYSA-N 0 3 267.394 2.394 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000812771980 632575130 /nfs/dbraw/zinc/57/51/30/632575130.db2.gz FKOGCIOLXYCLFL-OAHLLOKOSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000812780322 632577231 /nfs/dbraw/zinc/57/72/31/632577231.db2.gz ACRCPZNIYQPBDY-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000812780322 632577234 /nfs/dbraw/zinc/57/72/34/632577234.db2.gz ACRCPZNIYQPBDY-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN Oc1ccccc1CNCc1cnnn1-c1ccccc1 ZINC000814298580 632821706 /nfs/dbraw/zinc/82/17/06/632821706.db2.gz XNXDDVLZKGERCV-UHFFFAOYSA-N 0 3 280.331 2.263 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)CN1CC[C@@H](C)C1 ZINC000816914104 633485889 /nfs/dbraw/zinc/48/58/89/633485889.db2.gz DMXXPPBDBHFXJB-CQSZACIVSA-N 0 3 290.407 2.473 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1[O-] ZINC000817586205 633702780 /nfs/dbraw/zinc/70/27/80/633702780.db2.gz LZCVUKMHHXWQND-AVGNSLFASA-N 0 3 276.380 2.335 20 10 CECDHN C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817952538 633797046 /nfs/dbraw/zinc/79/70/46/633797046.db2.gz RMZBOPIPBXVTON-KOLCDFICSA-N 0 3 254.761 2.448 20 10 CECDHN C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1c([O-])cccc1F ZINC000900670197 633801453 /nfs/dbraw/zinc/80/14/53/633801453.db2.gz WJABXUFMWGKBGJ-GFCCVEGCSA-N 0 3 294.370 2.412 20 10 CECDHN C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1c([O-])cccc1F ZINC000900670197 633801459 /nfs/dbraw/zinc/80/14/59/633801459.db2.gz WJABXUFMWGKBGJ-GFCCVEGCSA-N 0 3 294.370 2.412 20 10 CECDHN C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964533 633807188 /nfs/dbraw/zinc/80/71/88/633807188.db2.gz BZXGQFBYDDZJLN-KRTXAFLBSA-N 0 3 256.296 2.058 20 10 CECDHN C[C@@H](NC[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964533 633807196 /nfs/dbraw/zinc/80/71/96/633807196.db2.gz BZXGQFBYDDZJLN-KRTXAFLBSA-N 0 3 256.296 2.058 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCCOCC2)c([O-])c1 ZINC000903228144 635026630 /nfs/dbraw/zinc/02/66/30/635026630.db2.gz POIXPSDOWSUIER-AWEZNQCLSA-N 0 3 278.396 2.074 20 10 CECDHN Nc1ccc2c(c1)CN(Cc1ccccc1O)CCO2 ZINC000903947052 635379351 /nfs/dbraw/zinc/37/93/51/635379351.db2.gz LOBXJPDRFBBLAC-UHFFFAOYSA-N 0 3 270.332 2.369 20 10 CECDHN CCOc1ccc(C[N@H+](C)CC(C)(C)CO)c([O-])c1 ZINC000824630585 635465927 /nfs/dbraw/zinc/46/59/27/635465927.db2.gz OSWGGPFDMJHKND-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CC(C)(C)CO)c([O-])c1 ZINC000824630585 635465931 /nfs/dbraw/zinc/46/59/31/635465931.db2.gz OSWGGPFDMJHKND-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN CO[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1O ZINC000825017756 635539993 /nfs/dbraw/zinc/53/99/93/635539993.db2.gz YTVKWNQZQHYTMZ-QZTJIDSGSA-N 0 3 299.370 2.251 20 10 CECDHN CO[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C[C@H]1O ZINC000825017756 635539997 /nfs/dbraw/zinc/53/99/97/635539997.db2.gz YTVKWNQZQHYTMZ-QZTJIDSGSA-N 0 3 299.370 2.251 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@@](C)(O)C(C)=O)cc1 ZINC000827337208 636297889 /nfs/dbraw/zinc/29/78/89/636297889.db2.gz TZFDCULZPSBBDY-QGZVFWFLSA-N 0 3 292.423 2.305 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827371114 636307745 /nfs/dbraw/zinc/30/77/45/636307745.db2.gz PCGAPBUJYBMGQC-NEPJUHHUSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000827371114 636307752 /nfs/dbraw/zinc/30/77/52/636307752.db2.gz PCGAPBUJYBMGQC-NEPJUHHUSA-N 0 3 265.353 2.400 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(CC3CC3)C1)CC2 ZINC000834575889 637876324 /nfs/dbraw/zinc/87/63/24/637876324.db2.gz PHUNMUDISQIDFU-LSDHHAIUSA-N 0 3 272.392 2.453 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(O)Cc3ccccc3C1)CC2 ZINC000834597848 637886161 /nfs/dbraw/zinc/88/61/61/637886161.db2.gz KOFABTNNLVZGKZ-INIZCTEOSA-N 0 3 295.382 2.499 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCOC[C@H]1CCOC1)CC2 ZINC000834598994 637886443 /nfs/dbraw/zinc/88/64/43/637886443.db2.gz URDUCYUQKGKFAV-UKRRQHHQSA-N 0 3 291.391 2.412 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC(COC)COC)cc1 ZINC000834892181 637980550 /nfs/dbraw/zinc/98/05/50/637980550.db2.gz QLVQKGUEWMSHOV-ZDUSSCGKSA-N 0 3 280.412 2.455 20 10 CECDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000834895407 637980595 /nfs/dbraw/zinc/98/05/95/637980595.db2.gz BHQKRNMIWFEYIT-VXGBXAGGSA-N 0 3 259.353 2.408 20 10 CECDHN CCN(C)C(=O)[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835049132 638038159 /nfs/dbraw/zinc/03/81/59/638038159.db2.gz BRHMMOZDSCRCKX-NPQIQWPPSA-N 0 3 289.423 2.222 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000835061889 638044800 /nfs/dbraw/zinc/04/48/00/638044800.db2.gz VRFZQQCCVJTFOH-CQSZACIVSA-N 0 3 282.771 2.112 20 10 CECDHN CO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000226613496 639555727 /nfs/dbraw/zinc/55/57/27/639555727.db2.gz GFCYOCWAXQRSML-OLZOCXBDSA-N 0 3 253.317 2.434 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)C(=O)NC(C)C)c1[O-] ZINC000840974384 639605689 /nfs/dbraw/zinc/60/56/89/639605689.db2.gz IFBBFNRVZKJXBP-SNVBAGLBSA-N 0 3 284.787 2.357 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1 ZINC000841061179 639636912 /nfs/dbraw/zinc/63/69/12/639636912.db2.gz FWGQDNUZVGBHAB-ONGXEEELSA-N 0 3 254.761 2.276 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C[C@H](C)O)c1[O-] ZINC000228677806 639652592 /nfs/dbraw/zinc/65/25/92/639652592.db2.gz KFOFEGHTMZISMZ-IUCAKERBSA-N 0 3 273.760 2.303 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCCNC1 ZINC000841089510 639653156 /nfs/dbraw/zinc/65/31/56/639653156.db2.gz HTAKUYNIWVCDGU-NSHDSACASA-N 0 3 272.751 2.416 20 10 CECDHN CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000228943756 639665513 /nfs/dbraw/zinc/66/55/13/639665513.db2.gz YLCIWZVHQKIAKW-ZJUUUORDSA-N 0 3 268.332 2.095 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2ccn(C)n2)c1[O-] ZINC000230943538 639806743 /nfs/dbraw/zinc/80/67/43/639806743.db2.gz ULNIGMOAPMDPAI-UHFFFAOYSA-N 0 3 295.770 2.120 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000877044975 650544996 /nfs/dbraw/zinc/54/49/96/650544996.db2.gz MXTJDRUKESKTIK-UONOGXRCSA-N 0 3 290.407 2.437 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2COC[C@H]2OC)cc1 ZINC000842913332 640220159 /nfs/dbraw/zinc/22/01/59/640220159.db2.gz ZVTWRWXYVSXHGR-APHBMKBZSA-N 0 3 278.396 2.207 20 10 CECDHN [O-]c1ccc(Cl)cc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843056142 640258937 /nfs/dbraw/zinc/25/89/37/640258937.db2.gz UPEXXMYFZSJZII-ZDUSSCGKSA-N 0 3 266.772 2.372 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000843118687 640288441 /nfs/dbraw/zinc/28/84/41/640288441.db2.gz MMIDOQYJGSMUPD-HNNXBMFYSA-N 0 3 264.344 2.107 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@H](Nc3ncccn3)C2)cc1 ZINC000843414900 640419443 /nfs/dbraw/zinc/41/94/43/640419443.db2.gz FBQVKKMCJGAXTA-OAHLLOKOSA-N 0 3 297.406 2.229 20 10 CECDHN Cc1cccc(CN2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418676 640421495 /nfs/dbraw/zinc/42/14/95/640421495.db2.gz WLQDBLVYZOJBCN-HNNXBMFYSA-N 0 3 279.405 2.409 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@]1(CO)CCc2ccccc21 ZINC000846011969 641152022 /nfs/dbraw/zinc/15/20/22/641152022.db2.gz RTWFINLMNDUGBU-GOSISDBHSA-N 0 3 283.371 2.358 20 10 CECDHN C[C@H](CO)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000846057209 641165681 /nfs/dbraw/zinc/16/56/81/641165681.db2.gz DWGZDBZQNBKOMY-LLVKDONJSA-N 0 3 267.344 2.372 20 10 CECDHN COc1cccc([C@H](C)NCc2cc(C)n[nH]2)c1O ZINC000846143418 641200137 /nfs/dbraw/zinc/20/01/37/641200137.db2.gz FTDZFKGARBBXBE-JTQLQIEISA-N 0 3 261.325 2.283 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)COCC(C)C)c([O-])c1 ZINC000185117404 641938502 /nfs/dbraw/zinc/93/85/02/641938502.db2.gz ADBVXONTKMSKIY-UONOGXRCSA-N 0 3 281.396 2.385 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(COC)CC2)c([O-])c1 ZINC000848564038 642055427 /nfs/dbraw/zinc/05/54/27/642055427.db2.gz AFYRKWYRZGIXEJ-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CCc1cccc(CNCc2cc(C)ncn2)c1O ZINC000848900576 642179262 /nfs/dbraw/zinc/17/92/62/642179262.db2.gz OAALWSUDWHHNQC-UHFFFAOYSA-N 0 3 257.337 2.343 20 10 CECDHN COc1cccc(CNCc2cnc(Cl)n2C)c1O ZINC000848911771 642186331 /nfs/dbraw/zinc/18/63/31/642186331.db2.gz YXZWIBBKIXDINM-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC000877466971 650732665 /nfs/dbraw/zinc/73/26/65/650732665.db2.gz UTBPCVCZWGPUJW-WCQYABFASA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC000877466971 650732666 /nfs/dbraw/zinc/73/26/66/650732666.db2.gz UTBPCVCZWGPUJW-WCQYABFASA-N 0 3 263.337 2.084 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000186456423 642571409 /nfs/dbraw/zinc/57/14/09/642571409.db2.gz NRAYLTUKMVDDST-PWSUYJOCSA-N 0 3 296.342 2.413 20 10 CECDHN COc1ccc(N2CC[C@H](NCc3ccc(C)nn3)C2)cc1 ZINC000850346729 642675245 /nfs/dbraw/zinc/67/52/45/642675245.db2.gz IQKPZSOEGAHZEG-HNNXBMFYSA-N 0 3 298.390 2.162 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)c([O-])c1 ZINC000850360625 642682312 /nfs/dbraw/zinc/68/23/12/642682312.db2.gz IFLCCRNWCKKBOR-NSHDSACASA-N 0 3 265.353 2.042 20 10 CECDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCOC1 ZINC000850484445 642729080 /nfs/dbraw/zinc/72/90/80/642729080.db2.gz IXJOAZXMADLHDI-UMVBOHGHSA-N 0 3 277.364 2.021 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H](O)C13CCC3)CC2 ZINC000850547847 642749606 /nfs/dbraw/zinc/74/96/06/642749606.db2.gz XIQCTVQJGCOEFW-MRVWCRGKSA-N 0 3 259.349 2.273 20 10 CECDHN C[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000109773050 642925771 /nfs/dbraw/zinc/92/57/71/642925771.db2.gz GOFXMPBTMFGEBR-UHFFFAOYSA-N 0 3 270.332 2.123 20 10 CECDHN C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1ccccc1[O-] ZINC000109773050 642925773 /nfs/dbraw/zinc/92/57/73/642925773.db2.gz GOFXMPBTMFGEBR-UHFFFAOYSA-N 0 3 270.332 2.123 20 10 CECDHN COC(OC)[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000922314055 643021368 /nfs/dbraw/zinc/02/13/68/643021368.db2.gz XTEHDTMWJXVULS-KTRBRXNASA-N 0 3 278.396 2.363 20 10 CECDHN [O-]c1ccccc1C[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877666188 650840658 /nfs/dbraw/zinc/84/06/58/650840658.db2.gz ZNVQJYNIJJPCBD-IAGOWNOFSA-N 0 3 285.343 2.016 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000877666188 650840661 /nfs/dbraw/zinc/84/06/61/650840661.db2.gz ZNVQJYNIJJPCBD-IAGOWNOFSA-N 0 3 285.343 2.016 20 10 CECDHN CCOc1ccc(O)c(CN2CC3(C2)CCCOC3)c1 ZINC000839139598 644171701 /nfs/dbraw/zinc/17/17/01/644171701.db2.gz WKCRAFVIMHHJBG-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CCC[C@@H]3C[C@@H]31)OCO2 ZINC000839186322 644183445 /nfs/dbraw/zinc/18/34/45/644183445.db2.gz HPNHETPASCCCKH-USWWRNFRSA-N 0 3 261.321 2.399 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2OC)cc1F ZINC000839191704 644185569 /nfs/dbraw/zinc/18/55/69/644185569.db2.gz DAYZJDDBFWNTCT-ZBFHGGJFSA-N 0 3 296.386 2.175 20 10 CECDHN Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)c(O)c1O ZINC000855163590 644263510 /nfs/dbraw/zinc/26/35/10/644263510.db2.gz DLIVDERNGYSFEX-LLVKDONJSA-N 0 3 292.379 2.009 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000756557845 644665530 /nfs/dbraw/zinc/66/55/30/644665530.db2.gz WQQGIXCHHBKDPL-OCCSQVGLSA-N 0 3 288.391 2.119 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2[O-] ZINC000756564900 644667647 /nfs/dbraw/zinc/66/76/47/644667647.db2.gz TZSJZCFFMCNYGZ-PSASIEDQSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@H](CCO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756584993 644672351 /nfs/dbraw/zinc/67/23/51/644672351.db2.gz IDVFHWQYDWHGLW-IQJOONFLSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1CO ZINC000857061205 644806748 /nfs/dbraw/zinc/80/67/48/644806748.db2.gz LXPZOBDMRFAHNT-TZMCWYRMSA-N 0 3 280.387 2.342 20 10 CECDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)c1[O-] ZINC000857085801 644813320 /nfs/dbraw/zinc/81/33/20/644813320.db2.gz HTKUGHLCKXYJLU-BLLLJJGKSA-N 0 3 292.354 2.047 20 10 CECDHN CN(C)c1ccc(CNC2COC(C)(C)OC2)cc1F ZINC000758010512 644870364 /nfs/dbraw/zinc/87/03/64/644870364.db2.gz OEYHNNCVJVYUIV-UHFFFAOYSA-N 0 3 282.359 2.133 20 10 CECDHN CN(C)c1cc(F)c(CN[C@](C)(CO)C2CC2)cc1F ZINC000858149832 645076038 /nfs/dbraw/zinc/07/60/38/645076038.db2.gz XCTHOIYYHUWCSU-OAHLLOKOSA-N 0 3 284.350 2.281 20 10 CECDHN COCCCn1nccc1CNCc1cc(C)ccc1O ZINC000858238961 645096133 /nfs/dbraw/zinc/09/61/33/645096133.db2.gz GATADQFENMLTDT-UHFFFAOYSA-N 0 3 289.379 2.223 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000760884209 645206556 /nfs/dbraw/zinc/20/65/56/645206556.db2.gz FIXNYMICFTWSDV-CORIIIEPSA-N 0 3 265.353 2.237 20 10 CECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000858588232 645215028 /nfs/dbraw/zinc/21/50/28/645215028.db2.gz XNBBJGTUWVJCSB-KKZNHRDASA-N 0 3 296.342 2.078 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCc2ccn(C)n2)c1[O-] ZINC000761226973 645259462 /nfs/dbraw/zinc/25/94/62/645259462.db2.gz YMSYTTPOSYBDJB-UHFFFAOYSA-N 0 3 279.771 2.420 20 10 CECDHN CC(=O)NC[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000860177639 645727497 /nfs/dbraw/zinc/72/74/97/645727497.db2.gz VGYVZCPFEPHXPR-KRWDZBQOSA-N 0 3 289.423 2.243 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)[C@@H](O)CO2 ZINC000768452754 646125344 /nfs/dbraw/zinc/12/53/44/646125344.db2.gz SJDYXEHMSAXQGJ-ZFWWWQNUSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CC1)[C@@H](O)CO2 ZINC000768452754 646125349 /nfs/dbraw/zinc/12/53/49/646125349.db2.gz SJDYXEHMSAXQGJ-ZFWWWQNUSA-N 0 3 275.348 2.192 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768466022 646128555 /nfs/dbraw/zinc/12/85/55/646128555.db2.gz VNYTTXSUWUSDTR-HFAKWTLXSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000768466022 646128558 /nfs/dbraw/zinc/12/85/58/646128558.db2.gz VNYTTXSUWUSDTR-HFAKWTLXSA-N 0 3 277.364 2.296 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000769327648 646246163 /nfs/dbraw/zinc/24/61/63/646246163.db2.gz CYCCYBVQOAAYPE-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000769327648 646246167 /nfs/dbraw/zinc/24/61/67/646246167.db2.gz CYCCYBVQOAAYPE-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CO[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769446319 646267647 /nfs/dbraw/zinc/26/76/47/646267647.db2.gz MUQNEAWDIBXCJF-GFCCVEGCSA-N 0 3 252.333 2.112 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000769531540 646283641 /nfs/dbraw/zinc/28/36/41/646283641.db2.gz GSJCQVYCBQJAKV-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000769531540 646283647 /nfs/dbraw/zinc/28/36/47/646283647.db2.gz GSJCQVYCBQJAKV-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN O=C([C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000770509542 646400660 /nfs/dbraw/zinc/40/06/60/646400660.db2.gz DHUWPYVMJRMIGE-HNNXBMFYSA-N 0 3 288.391 2.227 20 10 CECDHN O=C([C@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000770509542 646400663 /nfs/dbraw/zinc/40/06/63/646400663.db2.gz DHUWPYVMJRMIGE-HNNXBMFYSA-N 0 3 288.391 2.227 20 10 CECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cc(F)ccc1[O-] ZINC000863543246 646752090 /nfs/dbraw/zinc/75/20/90/646752090.db2.gz MHBIHSUMMBYZEL-JIMOISOXSA-N 0 3 252.333 2.322 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccccc1[O-] ZINC000775501082 646960816 /nfs/dbraw/zinc/96/08/16/646960816.db2.gz BRXWFASMBSCOTI-DZGCQCFKSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@@H](NCC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000775832341 646997248 /nfs/dbraw/zinc/99/72/48/646997248.db2.gz ZGSCSSGRLWTPLJ-GFCCVEGCSA-N 0 3 275.396 2.024 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@@H]2OC)c([O-])c1 ZINC000775979194 647012530 /nfs/dbraw/zinc/01/25/30/647012530.db2.gz RQKSQTJWRXBGJA-FVQBIDKESA-N 0 3 295.379 2.073 20 10 CECDHN C[C@@H]1[C@H](C)N(Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000775983988 647012969 /nfs/dbraw/zinc/01/29/69/647012969.db2.gz DUPKMDNQPNSEJR-OLZOCXBDSA-N 0 3 279.403 2.416 20 10 CECDHN C[C@H]1C[C@@H]1NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000864467962 647022011 /nfs/dbraw/zinc/02/20/11/647022011.db2.gz CTVOICJMDQRHMR-XVKPBYJWSA-N 0 3 298.184 2.177 20 10 CECDHN CCN(CC)c1ccc(CN[C@](C)(CO)COC)cc1F ZINC000777483799 647140267 /nfs/dbraw/zinc/14/02/67/647140267.db2.gz ZXJKEFPDCJKNKP-MRXNPFEDSA-N 0 3 298.402 2.159 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C)C1=O ZINC000778945453 647276205 /nfs/dbraw/zinc/27/62/05/647276205.db2.gz GRQKXUHBFMUNQQ-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C)C1=O ZINC000778945453 647276210 /nfs/dbraw/zinc/27/62/10/647276210.db2.gz GRQKXUHBFMUNQQ-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)CC1(C)OCCO1 ZINC000865675389 647418941 /nfs/dbraw/zinc/41/89/41/647418941.db2.gz ZJFJYIIDJBZCNZ-GFCCVEGCSA-N 0 3 295.379 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000865690684 647424762 /nfs/dbraw/zinc/42/47/62/647424762.db2.gz LNJFEAYISYEESK-JTNHKYCSSA-N 0 3 265.353 2.446 20 10 CECDHN COc1cccc(CN[C@H]2CCCn3nccc32)c1O ZINC000865872934 647515486 /nfs/dbraw/zinc/51/54/86/647515486.db2.gz WYTXFZCCCFTURT-LBPRGKRZSA-N 0 3 273.336 2.222 20 10 CECDHN C[C@@H]([NH2+]CCC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000783524594 647724822 /nfs/dbraw/zinc/72/48/22/647724822.db2.gz HNDWJRMRFZTPTE-GFCCVEGCSA-N 0 3 297.420 2.258 20 10 CECDHN CCOc1ccc(N(CC2CC2)C[C@H]2CNCCO2)cc1 ZINC000866673078 647864200 /nfs/dbraw/zinc/86/42/00/647864200.db2.gz QNOZDGRZMXJVLV-QGZVFWFLSA-N 0 3 290.407 2.290 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788271127 648167902 /nfs/dbraw/zinc/16/79/02/648167902.db2.gz YODKCHKVQUFAHU-CABZTGNLSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788271127 648167903 /nfs/dbraw/zinc/16/79/03/648167903.db2.gz YODKCHKVQUFAHU-CABZTGNLSA-N 0 3 255.745 2.309 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@@H](C)O)c([O-])c1 ZINC000788524546 648198844 /nfs/dbraw/zinc/19/88/44/648198844.db2.gz RNFUIXRPHLYTOZ-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([O-])c1 ZINC000788971054 648239604 /nfs/dbraw/zinc/23/96/04/648239604.db2.gz ANOFTWQARCLTTG-DGCLKSJQSA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000207895481 648542365 /nfs/dbraw/zinc/54/23/65/648542365.db2.gz LZVULFXZJVRHCQ-HOTGVXAUSA-N 0 3 255.317 2.140 20 10 CECDHN COC(=O)CC1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649393 651335409 /nfs/dbraw/zinc/33/54/09/651335409.db2.gz PYSYKEOKJYFFAC-LLVKDONJSA-N 0 3 263.337 2.386 20 10 CECDHN C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000879649319 651335420 /nfs/dbraw/zinc/33/54/20/651335420.db2.gz NCICXCDKOFQFGR-MGPQQGTHSA-N 0 3 278.396 2.152 20 10 CECDHN COc1ccc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000879650653 651335641 /nfs/dbraw/zinc/33/56/41/651335641.db2.gz LZJYCTPCKAJWHK-JTQLQIEISA-N 0 3 259.309 2.042 20 10 CECDHN CCN(Cc1cnc(C)n1C)Cc1ccccc1O ZINC001206795238 802405889 /nfs/dbraw/zinc/40/58/89/802405889.db2.gz VMXFEKBKBINEFV-UHFFFAOYSA-N 0 3 259.353 2.456 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001119450230 815115215 /nfs/dbraw/zinc/11/52/15/815115215.db2.gz FKFLRFRJRFMHSN-HNNXBMFYSA-N 0 3 291.391 2.064 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001119450230 815115219 /nfs/dbraw/zinc/11/52/19/815115219.db2.gz FKFLRFRJRFMHSN-HNNXBMFYSA-N 0 3 291.391 2.064 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)c([O-])c1 ZINC000716775366 815146909 /nfs/dbraw/zinc/14/69/09/815146909.db2.gz UEOKFEVKLPSOKH-KOLCDFICSA-N 0 3 259.296 2.367 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2COC[C@H]2C)c1[O-] ZINC000699846509 807877138 /nfs/dbraw/zinc/87/71/38/807877138.db2.gz IQEGEMYVMBSZSY-LDYMZIIASA-N 0 3 271.744 2.179 20 10 CECDHN CC[C@H]([NH3+])CN(C)Cc1cc(Br)ccc1[O-] ZINC001236865307 808180363 /nfs/dbraw/zinc/18/03/63/808180363.db2.gz IIIORDMTXFZNMN-NSHDSACASA-N 0 3 287.201 2.324 20 10 CECDHN CCN1CC[C@@H]([N@H+](CC)Cc2ccccc2[O-])CC1=O ZINC001172049352 815279543 /nfs/dbraw/zinc/27/95/43/815279543.db2.gz VZNTVYOOFBKIKH-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCN1CC[C@@H]([N@@H+](CC)Cc2ccccc2[O-])CC1=O ZINC001172049352 815279546 /nfs/dbraw/zinc/27/95/46/815279546.db2.gz VZNTVYOOFBKIKH-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CN1CCCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703339926 809642410 /nfs/dbraw/zinc/64/24/10/809642410.db2.gz DXJDMOKWJUOGEV-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN CCc1cccc(CN(C)[C@@H](C)C[S@](C)=O)c1O ZINC000709309431 809960025 /nfs/dbraw/zinc/96/00/25/809960025.db2.gz UXZMZKNDDCWIPR-VOJFVSQTSA-N 0 3 269.410 2.153 20 10 CECDHN CCc1cccc(CN(C)[C@@H](C)C[S@@](C)=O)c1O ZINC000709309430 809960070 /nfs/dbraw/zinc/96/00/70/809960070.db2.gz UXZMZKNDDCWIPR-BBATYDOGSA-N 0 3 269.410 2.153 20 10 CECDHN CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172450641 815441877 /nfs/dbraw/zinc/44/18/77/815441877.db2.gz YWJZNGAYCNKAPL-LLVKDONJSA-N 0 3 253.342 2.391 20 10 CECDHN CCc1cccc(CNCc2snnc2C)c1O ZINC000691434209 811756367 /nfs/dbraw/zinc/75/63/67/811756367.db2.gz LRODFJZLIAIYQO-UHFFFAOYSA-N 0 3 263.366 2.404 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000384542040 812430404 /nfs/dbraw/zinc/43/04/04/812430404.db2.gz FAFGOTCUDYTRMO-OPQQBVKSSA-N 0 3 251.326 2.056 20 10 CECDHN CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172924077 815546411 /nfs/dbraw/zinc/54/64/11/815546411.db2.gz REIQKYWBIPHPQS-NWDGAFQWSA-N 0 3 251.326 2.145 20 10 CECDHN N[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185997 815567845 /nfs/dbraw/zinc/56/78/45/815567845.db2.gz PQULNPHMOZLYPQ-RYUDHWBXSA-N 0 3 272.751 2.307 20 10 CECDHN N[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC[C@@H]1F ZINC001206185997 815567847 /nfs/dbraw/zinc/56/78/47/815567847.db2.gz PQULNPHMOZLYPQ-RYUDHWBXSA-N 0 3 272.751 2.307 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000392461490 813303639 /nfs/dbraw/zinc/30/36/39/813303639.db2.gz OZHSZDLZLHHZGM-DTWKUNHWSA-N 0 3 276.340 2.239 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2c(C)cnn2C)c1 ZINC000394076538 813336349 /nfs/dbraw/zinc/33/63/49/813336349.db2.gz BUOMVHDCSOQMDD-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN CC1(C)CN(Cc2c([O-])cccc2Cl)CC[NH2+]1 ZINC000396123749 813558099 /nfs/dbraw/zinc/55/80/99/813558099.db2.gz VCSMSGPLEUPFDB-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN CCN(CC)c1ccc(CN2CCC[C@@H](O)C2)c(OC)c1 ZINC001138388543 815785931 /nfs/dbraw/zinc/78/59/31/815785931.db2.gz XGCGWNSDRKUJNU-MRXNPFEDSA-N 0 3 292.423 2.498 20 10 CECDHN CN1CC[C@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686186 816083621 /nfs/dbraw/zinc/08/36/21/816083621.db2.gz QLGUTWLKKWQSTA-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686186 816083624 /nfs/dbraw/zinc/08/36/24/816083624.db2.gz QLGUTWLKKWQSTA-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN C[NH+](C)C1(C)CN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140464726 816260164 /nfs/dbraw/zinc/26/01/64/816260164.db2.gz BGZGUUJLTQUEAL-UHFFFAOYSA-N 0 3 254.761 2.182 20 10 CECDHN COC(=O)CC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC001140951988 816424096 /nfs/dbraw/zinc/42/40/96/816424096.db2.gz AVACDULBELFUPV-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc(O)c(CN2CCCO[C@H](C)C2)c(OC)c1 ZINC001141031562 816450409 /nfs/dbraw/zinc/45/04/09/816450409.db2.gz HZAVJMPXTXBOAS-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COC[C@@H]1CCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031537 816450934 /nfs/dbraw/zinc/45/09/34/816450934.db2.gz HLCRGGNHEOISJT-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COC[C@@H]1CCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031537 816450937 /nfs/dbraw/zinc/45/09/37/816450937.db2.gz HLCRGGNHEOISJT-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)c(OC)c1 ZINC001141032356 816452853 /nfs/dbraw/zinc/45/28/53/816452853.db2.gz ZJXLEYCUCGYVDK-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)c(OC)c1 ZINC001141032356 816452858 /nfs/dbraw/zinc/45/28/58/816452858.db2.gz ZJXLEYCUCGYVDK-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN Cc1nc([C@H]2CCCN(Cc3cc(O)ccc3O)C2)no1 ZINC001141156696 816490232 /nfs/dbraw/zinc/49/02/32/816490232.db2.gz QVPXPTUUXQFDIV-NSHDSACASA-N 0 3 289.335 2.169 20 10 CECDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2ccsc2)c1[O-] ZINC000077460794 343920764 /nfs/dbraw/zinc/92/07/64/343920764.db2.gz WUJNVJPTBKDBBG-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105814 344177518 /nfs/dbraw/zinc/17/75/18/344177518.db2.gz RDLMCRHBKVBAIQ-HIFRSBDPSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000092105814 344177520 /nfs/dbraw/zinc/17/75/20/344177520.db2.gz RDLMCRHBKVBAIQ-HIFRSBDPSA-N 0 3 288.391 2.191 20 10 CECDHN COCCCN(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185554235 344509535 /nfs/dbraw/zinc/50/95/35/344509535.db2.gz GBSNWUFLJYBKNE-GFCCVEGCSA-N 0 3 284.375 2.150 20 10 CECDHN O=C(c1cccc2c1CCNC2)N1CCOc2ccccc21 ZINC000388570443 540328717 /nfs/dbraw/zinc/32/87/17/540328717.db2.gz NRXOPQDZMHBVKB-UHFFFAOYSA-N 0 3 294.354 2.372 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCO2)c1 ZINC000019963698 361571983 /nfs/dbraw/zinc/57/19/83/361571983.db2.gz CMZGXSDLXSDVGU-ZYHUDNBSSA-N 0 3 251.326 2.230 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092456329 364077707 /nfs/dbraw/zinc/07/77/07/364077707.db2.gz TZBSKXVFCHPAQG-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092456329 364077715 /nfs/dbraw/zinc/07/77/15/364077715.db2.gz TZBSKXVFCHPAQG-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000160247850 366986028 /nfs/dbraw/zinc/98/60/28/366986028.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1CN1CC[N@H+]2CCCC[C@@H]2C1 ZINC000160247850 366986034 /nfs/dbraw/zinc/98/60/34/366986034.db2.gz BHUKWSKFUJVWCW-CYBMUJFWSA-N 0 3 264.344 2.201 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)CO)c1[O-] ZINC000169089457 367365211 /nfs/dbraw/zinc/36/52/11/367365211.db2.gz VNQBZCSHNALDRI-DTWKUNHWSA-N 0 3 273.760 2.161 20 10 CECDHN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180170867 368369548 /nfs/dbraw/zinc/36/95/48/368369548.db2.gz MZHHCRRAQOXSQF-MFKMUULPSA-N 0 3 253.317 2.267 20 10 CECDHN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180170867 368369552 /nfs/dbraw/zinc/36/95/52/368369552.db2.gz MZHHCRRAQOXSQF-MFKMUULPSA-N 0 3 253.317 2.267 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179939722 368360253 /nfs/dbraw/zinc/36/02/53/368360253.db2.gz HKZVGBQFZDMFBS-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179939722 368360256 /nfs/dbraw/zinc/36/02/56/368360256.db2.gz HKZVGBQFZDMFBS-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@@H](OCCOC)C2)c1 ZINC000188814540 369412292 /nfs/dbraw/zinc/41/22/92/369412292.db2.gz XDCXFGWPJWZYRH-OAHLLOKOSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](OCCOC)C2)c1 ZINC000188814540 369412297 /nfs/dbraw/zinc/41/22/97/369412297.db2.gz XDCXFGWPJWZYRH-OAHLLOKOSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](OCCOC)C2)c1 ZINC000188814540 369412302 /nfs/dbraw/zinc/41/23/02/369412302.db2.gz XDCXFGWPJWZYRH-OAHLLOKOSA-N 0 3 295.379 2.028 20 10 CECDHN CC[C@@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000188995782 369440264 /nfs/dbraw/zinc/44/02/64/369440264.db2.gz LFPGBGPENBMODQ-SWLSCSKDSA-N 0 3 277.412 2.270 20 10 CECDHN CCOCCN(CC)Cc1cc(OC)c(OC)cc1O ZINC000160162073 261206982 /nfs/dbraw/zinc/20/69/82/261206982.db2.gz IGIBIDYZINBVNP-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN CCOCC[N@H+](CC)Cc1cc(OC)c(OC)cc1[O-] ZINC000160162073 261206985 /nfs/dbraw/zinc/20/69/85/261206985.db2.gz IGIBIDYZINBVNP-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN CCOCC[N@@H+](CC)Cc1cc(OC)c(OC)cc1[O-] ZINC000160162073 261206986 /nfs/dbraw/zinc/20/69/86/261206986.db2.gz IGIBIDYZINBVNP-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000226648006 370350818 /nfs/dbraw/zinc/35/08/18/370350818.db2.gz MEGRHQFPKYTESP-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000228847842 370415066 /nfs/dbraw/zinc/41/50/66/370415066.db2.gz OMBBBZUMIWSVCO-CUOATXAZSA-N 0 3 265.353 2.211 20 10 CECDHN COC[C@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])OC ZINC000230672156 370463190 /nfs/dbraw/zinc/46/31/90/370463190.db2.gz JXJSSYPIJARHBM-NEPJUHHUSA-N 0 3 253.342 2.013 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCSC2)c1[O-] ZINC000230705107 370466339 /nfs/dbraw/zinc/46/63/39/370466339.db2.gz OUGAWLJRMNXZSQ-LLVKDONJSA-N 0 3 253.367 2.386 20 10 CECDHN COc1cccc(CN2CCS[C@@H]3COCC[C@H]32)c1O ZINC000246779274 371009022 /nfs/dbraw/zinc/00/90/22/371009022.db2.gz QCXHNQYGNVSMGD-TZMCWYRMSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246779274 371009027 /nfs/dbraw/zinc/00/90/27/371009027.db2.gz QCXHNQYGNVSMGD-TZMCWYRMSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1[O-] ZINC000246779274 371009034 /nfs/dbraw/zinc/00/90/34/371009034.db2.gz QCXHNQYGNVSMGD-TZMCWYRMSA-N 0 3 295.404 2.107 20 10 CECDHN CN(C)c1ccc(CN2CCS[C@H]3COCC[C@H]32)cc1 ZINC000246783548 371009958 /nfs/dbraw/zinc/00/99/58/371009958.db2.gz QHLHAPBHPGJOGN-CVEARBPZSA-N 0 3 292.448 2.459 20 10 CECDHN CC[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802954 372230646 /nfs/dbraw/zinc/23/06/46/372230646.db2.gz DZXNSTASFIFWFY-HIFRSBDPSA-N 0 3 275.396 2.024 20 10 CECDHN CO[C@H](C)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000268877902 372267450 /nfs/dbraw/zinc/26/74/50/372267450.db2.gz QVFCRPANTAPWFV-QWHCGFSZSA-N 0 3 296.386 2.175 20 10 CECDHN CCCOc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c([O-])c1 ZINC000270705280 372910734 /nfs/dbraw/zinc/91/07/34/372910734.db2.gz JOWNVJZBOCSOQQ-NSHDSACASA-N 0 3 267.369 2.430 20 10 CECDHN COc1cc([O-])c(C[N@H+](CCO)C2CCCC2)cc1OC ZINC000271772721 373200928 /nfs/dbraw/zinc/20/09/28/373200928.db2.gz FPHOYYSLYZVXOS-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@@H+](CCO)C2CCCC2)cc1OC ZINC000271772721 373200937 /nfs/dbraw/zinc/20/09/37/373200937.db2.gz FPHOYYSLYZVXOS-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCCn2ccnc2C)c1 ZINC000271971977 373241771 /nfs/dbraw/zinc/24/17/71/373241771.db2.gz CJYLUOLFYIUMER-UHFFFAOYSA-N 0 3 275.352 2.086 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000272632788 373592745 /nfs/dbraw/zinc/59/27/45/373592745.db2.gz NILHDQHRPQYXIJ-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)c1[O-] ZINC000272632788 373592755 /nfs/dbraw/zinc/59/27/55/373592755.db2.gz NILHDQHRPQYXIJ-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN CN(C)c1ccc(CN(C)CCc2cnccn2)cc1F ZINC000272719879 373630462 /nfs/dbraw/zinc/63/04/62/373630462.db2.gz FBJZTZSAAPVSDI-UHFFFAOYSA-N 0 3 288.370 2.356 20 10 CECDHN CC[C@H]1CN(Cc2cccc(C)c2O)C[C@]2(CCOC2)O1 ZINC000370210474 373607638 /nfs/dbraw/zinc/60/76/38/373607638.db2.gz QEFFUGOZUBLGDK-RDJZCZTQSA-N 0 3 291.391 2.471 20 10 CECDHN CNC(=O)C1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000272931939 373719990 /nfs/dbraw/zinc/71/99/90/373719990.db2.gz ZQMLASCOSGVROP-PNESKVBLSA-N 0 3 276.380 2.348 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000273383858 373753976 /nfs/dbraw/zinc/75/39/76/373753976.db2.gz IVOFPZIJKWOLMX-WCQYABFASA-N 0 3 298.814 2.153 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1C ZINC000273536986 373762388 /nfs/dbraw/zinc/76/23/88/373762388.db2.gz XOXOSNYEHHOLCD-LBPRGKRZSA-N 0 3 265.353 2.423 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCS(C)(=O)=O)c([O-])c1C ZINC000273601728 373766637 /nfs/dbraw/zinc/76/66/37/373766637.db2.gz SBAKNRRZLAFCTM-LBPRGKRZSA-N 0 3 285.409 2.094 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCc2cn3c(n2)SCC3)c1 ZINC000274270346 373860825 /nfs/dbraw/zinc/86/08/25/373860825.db2.gz QPTXZBNBOQXHOX-UHFFFAOYSA-N 0 3 289.404 2.335 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](CO)CCOC)cc1F ZINC000282104366 375402934 /nfs/dbraw/zinc/40/29/34/375402934.db2.gz DJCCZXDBTSSRTA-CQSZACIVSA-N 0 3 298.402 2.159 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CCCSC1)OCO2 ZINC000288402376 376377080 /nfs/dbraw/zinc/37/70/80/376377080.db2.gz IAKIAJITWRCUHH-JTQLQIEISA-N 0 3 281.377 2.354 20 10 CECDHN CC(C)SCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000290036632 376613541 /nfs/dbraw/zinc/61/35/41/376613541.db2.gz FMACIEXHEFTBJU-UHFFFAOYSA-N 0 3 269.366 2.352 20 10 CECDHN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293677674 377693648 /nfs/dbraw/zinc/69/36/48/377693648.db2.gz KDZAZHUYONOCTP-VXGBXAGGSA-N 0 3 264.369 2.184 20 10 CECDHN CCC[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000293801327 377765499 /nfs/dbraw/zinc/76/54/99/377765499.db2.gz YGSOKXJAXRDJBL-LLVKDONJSA-N 0 3 267.325 2.026 20 10 CECDHN CC[C@H](C)[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000294115507 377910418 /nfs/dbraw/zinc/91/04/18/377910418.db2.gz DFXDIFZVMOOCEC-BONVTDFDSA-N 0 3 281.352 2.272 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2ncccc2C)c1 ZINC000294690182 378011158 /nfs/dbraw/zinc/01/11/58/378011158.db2.gz ANVXUVBJWNWBBV-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1C ZINC000296078415 378410954 /nfs/dbraw/zinc/41/09/54/378410954.db2.gz XDACFCXNTZZSHA-CQSZACIVSA-N 0 3 292.423 2.116 20 10 CECDHN CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185438710 262054449 /nfs/dbraw/zinc/05/44/49/262054449.db2.gz ZKOGZCWKLILRRZ-ZETOZRRWSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@@H](O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092969095 394664399 /nfs/dbraw/zinc/66/43/99/394664399.db2.gz DBVHFUDQDRCOKG-CYBMUJFWSA-N 0 3 262.397 2.345 20 10 CECDHN C[C@H](CNC(=O)N(C)Cc1ccccc1O)N(C)C1CC1 ZINC000105267343 394721926 /nfs/dbraw/zinc/72/19/26/394721926.db2.gz SVMCYJLEQWHMIN-GFCCVEGCSA-N 0 3 291.395 2.016 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)CCc2ccccn2)c1 ZINC000120806720 394785064 /nfs/dbraw/zinc/78/50/64/394785064.db2.gz DUCWDIDEBWKKFF-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)CCc2ccccn2)c1 ZINC000120806720 394785067 /nfs/dbraw/zinc/78/50/67/394785067.db2.gz DUCWDIDEBWKKFF-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1ccc(N2CCN(C(C)C)CC2)cc1F ZINC000121979448 394807001 /nfs/dbraw/zinc/80/70/01/394807001.db2.gz ZPWCTRHHJGSQKX-UHFFFAOYSA-N 0 3 252.333 2.365 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000376470186 395121239 /nfs/dbraw/zinc/12/12/39/395121239.db2.gz ABBZZPNLEWHUDM-ZDUSSCGKSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000376470186 395121240 /nfs/dbraw/zinc/12/12/40/395121240.db2.gz ABBZZPNLEWHUDM-ZDUSSCGKSA-N 0 3 293.338 2.306 20 10 CECDHN CC(C)N(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174516611 395125285 /nfs/dbraw/zinc/12/52/85/395125285.db2.gz YLLGWJQXURRUHG-UHFFFAOYSA-N 0 3 290.407 2.227 20 10 CECDHN CCC[C@H](N)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178711623 395171997 /nfs/dbraw/zinc/17/19/97/395171997.db2.gz FCLPFQBKTOSLFB-HNNXBMFYSA-N 0 3 277.412 2.276 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@]2(O)CCc3ccccc32)c1 ZINC000182653494 395246871 /nfs/dbraw/zinc/24/68/71/395246871.db2.gz QRLHYZKVTOCBBL-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN C[N@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182938106 395250398 /nfs/dbraw/zinc/25/03/98/395250398.db2.gz MFTQYVCEXKNUBC-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN C[N@@H+](CCO)Cc1ccc(OCc2ccccc2)cc1[O-] ZINC000182938106 395250400 /nfs/dbraw/zinc/25/04/00/395250400.db2.gz MFTQYVCEXKNUBC-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179373437 395191896 /nfs/dbraw/zinc/19/18/96/395191896.db2.gz LYZPRICEWZHJSI-CYBMUJFWSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c1 ZINC000179373437 395191900 /nfs/dbraw/zinc/19/19/00/395191900.db2.gz LYZPRICEWZHJSI-CYBMUJFWSA-N 0 3 277.364 2.286 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1 ZINC000294955524 395281873 /nfs/dbraw/zinc/28/18/73/395281873.db2.gz DMILLKQZVIORLE-YPMHNXCESA-N 0 3 289.322 2.285 20 10 CECDHN C[C@@H](NCC1([S@@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390097 287019658 /nfs/dbraw/zinc/01/96/58/287019658.db2.gz RDBCQVOEJZYBHV-CWTRNNRKSA-N 0 3 280.437 2.314 20 10 CECDHN Cc1cccc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662467261 415853981 /nfs/dbraw/zinc/85/39/81/415853981.db2.gz BYNKTDOBBSVIRX-GFCCVEGCSA-N 0 3 284.363 2.072 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000091662379 260266343 /nfs/dbraw/zinc/26/63/43/260266343.db2.gz ZVOGOFMNQMJISF-ZNMIVQPWSA-N 0 3 290.407 2.214 20 10 CECDHN CCC[N@H+](CCC(=O)NCC)Cc1ccccc1[O-] ZINC000075829148 260291848 /nfs/dbraw/zinc/29/18/48/260291848.db2.gz LAIUIDMYFLKNIX-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCC[N@@H+](CCC(=O)NCC)Cc1ccccc1[O-] ZINC000075829148 260291850 /nfs/dbraw/zinc/29/18/50/260291850.db2.gz LAIUIDMYFLKNIX-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN C[C@H]([NH2+]CCN1CCOCC1(C)C)c1cc(F)ccc1[O-] ZINC000185334139 262050659 /nfs/dbraw/zinc/05/06/59/262050659.db2.gz FXZXWEIGLXDHSB-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000186110892 262079697 /nfs/dbraw/zinc/07/96/97/262079697.db2.gz AIWLSAUPPXWWLJ-CHWSQXEVSA-N 0 3 291.395 2.155 20 10 CECDHN CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)c1ccccc1[O-] ZINC000185214247 262302502 /nfs/dbraw/zinc/30/25/02/262302502.db2.gz OMPOOZVQDMZWLC-GFCCVEGCSA-N 0 3 264.369 2.205 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185467683 262305073 /nfs/dbraw/zinc/30/50/73/262305073.db2.gz QNZIWECOGNTLQQ-SWLSCSKDSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1ccccc1[O-] ZINC000186195977 262313074 /nfs/dbraw/zinc/31/30/74/262313074.db2.gz FRPGZODYRGWMFZ-DZGCQCFKSA-N 0 3 267.369 2.220 20 10 CECDHN O[C@@H]1c2ccccc2OC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000288528422 264684469 /nfs/dbraw/zinc/68/44/69/264684469.db2.gz JYASRZLQXVCRQN-CRAIPNDOSA-N 0 3 297.354 2.206 20 10 CECDHN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000360256061 266698961 /nfs/dbraw/zinc/69/89/61/266698961.db2.gz XQFCODLPKNOLLU-AWEZNQCLSA-N 0 3 269.348 2.138 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000369683487 267260023 /nfs/dbraw/zinc/26/00/23/267260023.db2.gz LXRMJUXPSZPRKJ-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000369683487 267260025 /nfs/dbraw/zinc/26/00/25/267260025.db2.gz LXRMJUXPSZPRKJ-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000370395860 267317053 /nfs/dbraw/zinc/31/70/53/267317053.db2.gz JOERGYOFTLGWFX-ZYHUDNBSSA-N 0 3 287.363 2.332 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1C ZINC000377113261 268048838 /nfs/dbraw/zinc/04/88/38/268048838.db2.gz NAKSGNJIXONTJX-PBHICJAKSA-N 0 3 288.391 2.156 20 10 CECDHN CC(=O)NC1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000297772995 275478103 /nfs/dbraw/zinc/47/81/03/275478103.db2.gz PFJMENJBMIYOGI-NRXISQOPSA-N 0 3 288.391 2.416 20 10 CECDHN CCN1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295928562 276221710 /nfs/dbraw/zinc/22/17/10/276221710.db2.gz KBDRDXVWLSPIBH-TZMCWYRMSA-N 0 3 260.381 2.311 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@H](C)OC)c1[O-] ZINC000289176917 276379500 /nfs/dbraw/zinc/37/95/00/276379500.db2.gz ABSYDTRJHNXRFQ-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@H](C)OC)c1[O-] ZINC000289176917 276379503 /nfs/dbraw/zinc/37/95/03/276379503.db2.gz ABSYDTRJHNXRFQ-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCSCCCO)c1 ZINC000185378746 327915303 /nfs/dbraw/zinc/91/53/03/327915303.db2.gz YAVLNVBOAWATMH-LLVKDONJSA-N 0 3 285.409 2.167 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000237048890 328004258 /nfs/dbraw/zinc/00/42/58/328004258.db2.gz LDWUZZJETLUGTC-CYBMUJFWSA-N 0 3 251.326 2.060 20 10 CECDHN CN(CCNC(=O)Cc1ccc(N)cc1)Cc1ccccc1 ZINC000263290354 327008244 /nfs/dbraw/zinc/00/82/44/327008244.db2.gz WGABPNKCEZYBBH-UHFFFAOYSA-N 0 3 297.402 2.060 20 10 CECDHN Cc1cn[nH]c1CNCc1ccc2c(c1)CCN2C ZINC000377758365 329028312 /nfs/dbraw/zinc/02/83/12/329028312.db2.gz HUQWNDBZBKFAOZ-UHFFFAOYSA-N 0 3 256.353 2.000 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377887666 329033507 /nfs/dbraw/zinc/03/35/07/329033507.db2.gz GODMANCTRTYKAO-ZDUSSCGKSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000377887666 329033509 /nfs/dbraw/zinc/03/35/09/329033509.db2.gz GODMANCTRTYKAO-ZDUSSCGKSA-N 0 3 271.364 2.424 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](OC)CC2)c1 ZINC000378629536 329057093 /nfs/dbraw/zinc/05/70/93/329057093.db2.gz DTORVONDRJNJRP-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](OC)CC2)c1 ZINC000378629536 329057095 /nfs/dbraw/zinc/05/70/95/329057095.db2.gz DTORVONDRJNJRP-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000180316430 329219722 /nfs/dbraw/zinc/21/97/22/329219722.db2.gz NDCJJSOAEMAPBU-WBMJQRKESA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1 ZINC000180316430 329219723 /nfs/dbraw/zinc/21/97/23/329219723.db2.gz NDCJJSOAEMAPBU-WBMJQRKESA-N 0 3 277.364 2.402 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000228677451 329344279 /nfs/dbraw/zinc/34/42/79/329344279.db2.gz VVSBVQHVKYSOJY-SECBINFHSA-N 0 3 272.776 2.094 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCN1C1CCCC1 ZINC000527804825 330284399 /nfs/dbraw/zinc/28/43/99/330284399.db2.gz BTZOFNWYZWYTOH-HNNXBMFYSA-N 0 3 260.381 2.499 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000226249763 333255042 /nfs/dbraw/zinc/25/50/42/333255042.db2.gz LZIWZSINSFGMOI-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CCCCO)c1[O-] ZINC000295038218 334901840 /nfs/dbraw/zinc/90/18/40/334901840.db2.gz MKIBFHWQTHRSRI-GFCCVEGCSA-N 0 3 267.369 2.432 20 10 CECDHN CCCOc1ccc(C[N@H+](CC)[C@H](C)CO)c([O-])c1 ZINC000292847084 520344355 /nfs/dbraw/zinc/34/43/55/520344355.db2.gz SUCWVVFRKDKOJU-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](CC)[C@H](C)CO)c([O-])c1 ZINC000292847084 520344359 /nfs/dbraw/zinc/34/43/59/520344359.db2.gz SUCWVVFRKDKOJU-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@H](O)C[C@@H]2C)c1O ZINC000292777559 522535929 /nfs/dbraw/zinc/53/59/29/522535929.db2.gz LBQGEGMSXITUHD-CABZTGNLSA-N 0 3 285.771 2.399 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)c1 ZINC000378440359 534199097 /nfs/dbraw/zinc/19/90/97/534199097.db2.gz AZMMPZYNJORBME-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCCOC(C)(C)C2)c1 ZINC000378440359 534199103 /nfs/dbraw/zinc/19/91/03/534199103.db2.gz AZMMPZYNJORBME-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000188484111 520202780 /nfs/dbraw/zinc/20/27/80/520202780.db2.gz GGOYIHRRKPOPEL-VXGBXAGGSA-N 0 3 264.369 2.218 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000188484111 520202783 /nfs/dbraw/zinc/20/27/83/520202783.db2.gz GGOYIHRRKPOPEL-VXGBXAGGSA-N 0 3 264.369 2.218 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H](C)CN(C)C)c([O-])c1 ZINC000290229010 520370365 /nfs/dbraw/zinc/37/03/65/520370365.db2.gz YELPWEJHMCCEMF-LBPRGKRZSA-N 0 3 266.385 2.221 20 10 CECDHN CCN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066861715 520568467 /nfs/dbraw/zinc/56/84/67/520568467.db2.gz QMJCJBCSIFILIG-UHFFFAOYSA-N 0 3 277.412 2.053 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000277911695 521154854 /nfs/dbraw/zinc/15/48/54/521154854.db2.gz PMJYBSHARPNMHC-BXUZGUMPSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c1[O-] ZINC000278604501 521375969 /nfs/dbraw/zinc/37/59/69/521375969.db2.gz ICLJSEJQRKOOQR-KGLIPLIRSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(CN[C@H](COC)[C@@H]2CCCO2)c1O ZINC000278604501 521375980 /nfs/dbraw/zinc/37/59/80/521375980.db2.gz ICLJSEJQRKOOQR-KGLIPLIRSA-N 0 3 295.379 2.075 20 10 CECDHN CCOC1CC([N@H+](C)Cc2cc(OC)ccc2[O-])C1 ZINC000290652381 521650706 /nfs/dbraw/zinc/65/07/06/521650706.db2.gz ZCVVHYXVVGZRGC-UHFFFAOYSA-N 0 3 265.353 2.400 20 10 CECDHN CCOC1CC([N@@H+](C)Cc2cc(OC)ccc2[O-])C1 ZINC000290652381 521650708 /nfs/dbraw/zinc/65/07/08/521650708.db2.gz ZCVVHYXVVGZRGC-UHFFFAOYSA-N 0 3 265.353 2.400 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])[C@H]1CCCO1 ZINC000278932148 522765105 /nfs/dbraw/zinc/76/51/05/522765105.db2.gz XNPDJNHJWLQORD-DIOULYMOSA-N 0 3 295.379 2.245 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccc(C)cc1[O-] ZINC000279973789 522951142 /nfs/dbraw/zinc/95/11/42/522951142.db2.gz DDTHQZBRRHJPMY-GOEBONIOSA-N 0 3 292.423 2.462 20 10 CECDHN CN(c1ccc(CNC(=O)CN)cc1)C1CCCCC1 ZINC000237053933 523636259 /nfs/dbraw/zinc/63/62/59/523636259.db2.gz RCFNDIHTNAOEIE-UHFFFAOYSA-N 0 3 275.396 2.030 20 10 CECDHN COc1ccc(CNCCC(=O)N2CCCCC2)cc1C ZINC000069715951 524069997 /nfs/dbraw/zinc/06/99/97/524069997.db2.gz YIOIPQBGJWLYGJ-UHFFFAOYSA-N 0 3 290.407 2.496 20 10 CECDHN Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1[O-] ZINC000289894635 524433412 /nfs/dbraw/zinc/43/34/12/524433412.db2.gz TWXCHVZZUIVEHA-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CC=CCC2)c1 ZINC000280972450 524763880 /nfs/dbraw/zinc/76/38/80/524763880.db2.gz LKUFESRJCBAWOD-CYBMUJFWSA-N 0 3 276.380 2.313 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191655658 524766343 /nfs/dbraw/zinc/76/63/43/524766343.db2.gz DEIUVXCYWVSRCT-AXFHLTTASA-N 0 3 253.342 2.475 20 10 CECDHN C[C@H](O)CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000280069962 525782523 /nfs/dbraw/zinc/78/25/23/525782523.db2.gz XNUKIEZREFFCIE-VIFPVBQESA-N 0 3 276.302 2.242 20 10 CECDHN Cc1nccn1CCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000264996393 527420433 /nfs/dbraw/zinc/42/04/33/527420433.db2.gz YLTPBJBQFSVVKY-UHFFFAOYSA-N 0 3 259.353 2.385 20 10 CECDHN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000748241576 574437918 /nfs/dbraw/zinc/43/79/18/574437918.db2.gz AEZDPDAZQUNSOC-HNNXBMFYSA-N 0 3 281.352 2.222 20 10 CECDHN Cc1ccc(O)c(CNCC(=O)N2CCc3ccccc32)c1 ZINC000733328679 574664344 /nfs/dbraw/zinc/66/43/44/574664344.db2.gz ZVGXVUXNTHEZTR-UHFFFAOYSA-N 0 3 296.370 2.380 20 10 CECDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743536493 575106114 /nfs/dbraw/zinc/10/61/14/575106114.db2.gz KYBVIOOJAJVIST-UWVGGRQHSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743536493 575106116 /nfs/dbraw/zinc/10/61/16/575106116.db2.gz KYBVIOOJAJVIST-UWVGGRQHSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CCN1C ZINC000743536493 575106119 /nfs/dbraw/zinc/10/61/19/575106119.db2.gz KYBVIOOJAJVIST-UWVGGRQHSA-N 0 3 268.382 2.008 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(CCO)CCCC1 ZINC000744448387 575121519 /nfs/dbraw/zinc/12/15/19/575121519.db2.gz IZIMUMDZAPVIJO-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc(N(C)C)cc1 ZINC000933287314 623592038 /nfs/dbraw/zinc/59/20/38/623592038.db2.gz XCEFUBPOPATHCD-OAHLLOKOSA-N 0 3 289.423 2.147 20 10 CECDHN Cc1occc1CNCc1cc2c(cc1O)OCO2 ZINC000725848787 625827524 /nfs/dbraw/zinc/82/75/24/625827524.db2.gz ILOREMZCSVWQCR-UHFFFAOYSA-N 0 3 261.277 2.312 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC1CC1 ZINC000313995004 627854423 /nfs/dbraw/zinc/85/44/23/627854423.db2.gz SBJZMQFDWKNBON-INIZCTEOSA-N 0 3 289.423 2.229 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C ZINC000312064492 628089828 /nfs/dbraw/zinc/08/98/28/628089828.db2.gz DXMDSHBESRGEOI-KWCYVHTRSA-N 0 3 260.381 2.452 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC[C@@](C)(O)C(F)(F)F ZINC000840936230 628753594 /nfs/dbraw/zinc/75/35/94/628753594.db2.gz HCRUDQHSBVQPFW-CYBMUJFWSA-N 0 3 290.329 2.464 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(C)cc1[O-] ZINC000794810575 629325075 /nfs/dbraw/zinc/32/50/75/629325075.db2.gz LWONYQYUTMRRJN-JQWIXIFHSA-N 0 3 250.342 2.005 20 10 CECDHN CC[C@H]([NH2+]CCCn1ccnn1)c1ccc(C)cc1[O-] ZINC000794813543 629327228 /nfs/dbraw/zinc/32/72/28/629327228.db2.gz APAZOCSWYUJQJT-AWEZNQCLSA-N 0 3 274.368 2.423 20 10 CECDHN CCOc1ccc(C[NH2+]CCO[C@H]2CCCCO2)c([O-])c1 ZINC000894798570 629646978 /nfs/dbraw/zinc/64/69/78/629646978.db2.gz GFFSTRGNGPFUTD-INIZCTEOSA-N 0 3 295.379 2.424 20 10 CECDHN COC(=O)[C@H]1[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1(F)F ZINC000895460061 630201779 /nfs/dbraw/zinc/20/17/79/630201779.db2.gz ITSWAJXVJGFKED-MKPLZMMCSA-N 0 3 285.290 2.097 20 10 CECDHN COc1cc(C)cc(CN[C@@H](C)c2ccnn2C)c1O ZINC000895461816 630203196 /nfs/dbraw/zinc/20/31/96/630203196.db2.gz BLQROBLSMONBCY-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NCCF ZINC000800499018 631130982 /nfs/dbraw/zinc/13/09/82/631130982.db2.gz SYOJUEUBLHDRAK-WCABBAIRSA-N 0 3 298.333 2.143 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885895 631960759 /nfs/dbraw/zinc/96/07/59/631960759.db2.gz RWWXZZLKIXHUPL-AWEZNQCLSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000809692910 632128812 /nfs/dbraw/zinc/12/88/12/632128812.db2.gz JEBHMSPKXNDMAB-PHIMTYICSA-N 0 3 251.326 2.010 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000809692910 632128821 /nfs/dbraw/zinc/12/88/21/632128821.db2.gz JEBHMSPKXNDMAB-PHIMTYICSA-N 0 3 251.326 2.010 20 10 CECDHN CCC[C@]1(CO)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000809790148 632147180 /nfs/dbraw/zinc/14/71/80/632147180.db2.gz AONCKRGXWHUQSM-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@]1(CO)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000809790148 632147184 /nfs/dbraw/zinc/14/71/84/632147184.db2.gz AONCKRGXWHUQSM-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccc(C)cc1[O-] ZINC000926982792 632404027 /nfs/dbraw/zinc/40/40/27/632404027.db2.gz RQWRKYMGMUNMNF-OCCSQVGLSA-N 0 3 276.380 2.268 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000814300705 632821777 /nfs/dbraw/zinc/82/17/77/632821777.db2.gz LTVIWXUPCGYMJJ-GFCCVEGCSA-N 0 3 264.369 2.034 20 10 CECDHN Cc1cc(CN2CCSC[C@@H]2CCO)ccc1N(C)C ZINC000815061440 632953353 /nfs/dbraw/zinc/95/33/53/632953353.db2.gz VEAZGTUEFMLWRN-HNNXBMFYSA-N 0 3 294.464 2.361 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC000816665486 633460026 /nfs/dbraw/zinc/46/00/26/633460026.db2.gz JHXMQCZXVTZSTC-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC000816665486 633460030 /nfs/dbraw/zinc/46/00/30/633460030.db2.gz JHXMQCZXVTZSTC-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CNCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817952115 633796018 /nfs/dbraw/zinc/79/60/18/633796018.db2.gz NKLHHLCPHCCGOV-ZETCQYMHSA-N 0 3 291.164 2.164 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971899 633815209 /nfs/dbraw/zinc/81/52/09/633815209.db2.gz QZHGFDAELJUULV-CKYFFXLPSA-N 0 3 252.333 2.322 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1[O-] ZINC000817976657 633820382 /nfs/dbraw/zinc/82/03/82/633820382.db2.gz QNVHPTBIBJDPOS-LSJOCFKGSA-N 0 3 272.751 2.396 20 10 CECDHN C[C@H](NCCC[NH2+]C1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984264 633826800 /nfs/dbraw/zinc/82/68/00/633826800.db2.gz PJOUPVNBJDCPSF-JTQLQIEISA-N 0 3 279.340 2.093 20 10 CECDHN C[C@H]([NH2+]CCCNC1CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817984264 633826810 /nfs/dbraw/zinc/82/68/10/633826810.db2.gz PJOUPVNBJDCPSF-JTQLQIEISA-N 0 3 279.340 2.093 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902787267 634832707 /nfs/dbraw/zinc/83/27/07/634832707.db2.gz YTTHJJUMWSESME-UNPMEBSKSA-N 0 3 259.349 2.295 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000825036034 635544614 /nfs/dbraw/zinc/54/46/14/635544614.db2.gz YTPVLARYHWMHGZ-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCO)C1CCSCC1 ZINC000825130308 635574793 /nfs/dbraw/zinc/57/47/93/635574793.db2.gz SWQUVTOCDQMBIF-UHFFFAOYSA-N 0 3 267.394 2.082 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCO)C1CCSCC1 ZINC000825130308 635574795 /nfs/dbraw/zinc/57/47/95/635574795.db2.gz SWQUVTOCDQMBIF-UHFFFAOYSA-N 0 3 267.394 2.082 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827586022 636359008 /nfs/dbraw/zinc/35/90/08/636359008.db2.gz STNSURIEXVWJQU-MRVPVSSYSA-N 0 3 271.744 2.057 20 10 CECDHN CCCN1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930891 636462788 /nfs/dbraw/zinc/46/27/88/636462788.db2.gz TUHZYIGPAYGJJU-TZMCWYRMSA-N 0 3 276.380 2.444 20 10 CECDHN CCCN1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978440 636477785 /nfs/dbraw/zinc/47/77/85/636477785.db2.gz TUHZYIGPAYGJJU-JSGCOSHPSA-N 0 3 276.380 2.444 20 10 CECDHN C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576307 637104387 /nfs/dbraw/zinc/10/43/87/637104387.db2.gz FNFRTROAAUSVRR-PWSUYJOCSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576307 637104390 /nfs/dbraw/zinc/10/43/90/637104390.db2.gz FNFRTROAAUSVRR-PWSUYJOCSA-N 0 3 280.393 2.010 20 10 CECDHN CN1CC[C@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576307 637104393 /nfs/dbraw/zinc/10/43/93/637104393.db2.gz FNFRTROAAUSVRR-PWSUYJOCSA-N 0 3 280.393 2.010 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876556408 650325022 /nfs/dbraw/zinc/32/50/22/650325022.db2.gz QLUPRNLYWAQEQI-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876556408 650325023 /nfs/dbraw/zinc/32/50/23/650325023.db2.gz QLUPRNLYWAQEQI-ZDUSSCGKSA-N 0 3 263.337 2.086 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680701 637917035 /nfs/dbraw/zinc/91/70/35/637917035.db2.gz GFKZBGWIPRITTR-JSGCOSHPSA-N 0 3 269.348 2.250 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876657518 650381175 /nfs/dbraw/zinc/38/11/75/650381175.db2.gz GRYYQLQRYCCDMC-AWEZNQCLSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876657518 650381176 /nfs/dbraw/zinc/38/11/76/650381176.db2.gz GRYYQLQRYCCDMC-AWEZNQCLSA-N 0 3 290.407 2.439 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(F)ccc1[O-] ZINC000834850762 637970997 /nfs/dbraw/zinc/97/09/97/637970997.db2.gz OYOJBXJYAGGTKU-OCCSQVGLSA-N 0 3 296.386 2.029 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834881025 637977159 /nfs/dbraw/zinc/97/71/59/637977159.db2.gz YFPNTPITQMQABI-UEKVPHQBSA-N 0 3 283.343 2.233 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834904741 637982626 /nfs/dbraw/zinc/98/26/26/637982626.db2.gz PRQQOTINSFLUJA-NJZAAPMLSA-N 0 3 265.353 2.155 20 10 CECDHN CC[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NC ZINC000834912411 637986302 /nfs/dbraw/zinc/98/63/02/637986302.db2.gz LXKUVTIJLJMFHF-INTQDDNPSA-N 0 3 280.343 2.194 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000835088531 638058263 /nfs/dbraw/zinc/05/82/63/638058263.db2.gz SLMILJBYLGOENU-GHMZBOCLSA-N 0 3 251.326 2.058 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000876798150 650437072 /nfs/dbraw/zinc/43/70/72/650437072.db2.gz FHHQRIOSJPFQPR-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000876798150 650437073 /nfs/dbraw/zinc/43/70/73/650437073.db2.gz FHHQRIOSJPFQPR-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000876805656 650440711 /nfs/dbraw/zinc/44/07/11/650440711.db2.gz DSHRYPBTZZAKPL-CVEARBPZSA-N 0 3 277.364 2.080 20 10 CECDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000876816169 650444900 /nfs/dbraw/zinc/44/49/00/650444900.db2.gz WDWRGMBCOFQJIS-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000876816169 650444901 /nfs/dbraw/zinc/44/49/01/650444901.db2.gz WDWRGMBCOFQJIS-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN Cc1nn(C)c(C)c1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226590527 639554936 /nfs/dbraw/zinc/55/49/36/639554936.db2.gz LTUWFFPHYRXCLF-UHFFFAOYSA-N 0 3 263.316 2.171 20 10 CECDHN Cc1cc([O-])c(CN2CC[NH2+][C@H](C)C2)c(Cl)c1 ZINC000840908971 639583461 /nfs/dbraw/zinc/58/34/61/639583461.db2.gz ZRGVKZNETNYLCC-SNVBAGLBSA-N 0 3 254.761 2.148 20 10 CECDHN CC(C)NC(=O)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000840974262 639606326 /nfs/dbraw/zinc/60/63/26/639606326.db2.gz DAMJFILECDFOGU-AFNCTOJWSA-N 0 3 289.423 2.269 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000228676176 639652524 /nfs/dbraw/zinc/65/25/24/639652524.db2.gz LTUYNFKOOSKLOU-UTUOFQBUSA-N 0 3 283.755 2.464 20 10 CECDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949567 639667179 /nfs/dbraw/zinc/66/71/79/639667179.db2.gz ODLDMVFUABIEDL-VXGBXAGGSA-N 0 3 275.396 2.070 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000876991110 650522785 /nfs/dbraw/zinc/52/27/85/650522785.db2.gz HJTNPPLRZKIRGE-NSHDSACASA-N 0 3 288.313 2.427 20 10 CECDHN COC[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000230672255 639778622 /nfs/dbraw/zinc/77/86/22/639778622.db2.gz WHVWBJBMGHMEKN-NEPJUHHUSA-N 0 3 253.342 2.013 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccco1 ZINC000877071628 650558822 /nfs/dbraw/zinc/55/88/22/650558822.db2.gz AXHJYDFWUINTSM-HNNXBMFYSA-N 0 3 261.321 2.291 20 10 CECDHN C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)CN ZINC000843056686 640259076 /nfs/dbraw/zinc/25/90/76/640259076.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 0 3 256.777 2.462 20 10 CECDHN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)CN ZINC000843056686 640259082 /nfs/dbraw/zinc/25/90/82/640259082.db2.gz WKQIBGGERCRPMA-UHFFFAOYSA-N 0 3 256.777 2.462 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000914432985 640403666 /nfs/dbraw/zinc/40/36/66/640403666.db2.gz IQGDKLYPLQRFKE-HUUCEWRRSA-N 0 3 277.364 2.306 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000914432983 640404096 /nfs/dbraw/zinc/40/40/96/640404096.db2.gz IQGDKLYPLQRFKE-CABCVRRESA-N 0 3 277.364 2.306 20 10 CECDHN Cc1cccc(CN2CCO[C@]3(CCSC3)C2)c1O ZINC000843418678 640421451 /nfs/dbraw/zinc/42/14/51/640421451.db2.gz WLQDBLVYZOJBCN-OAHLLOKOSA-N 0 3 279.405 2.409 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCOc1ncccc1F ZINC000877117427 650579903 /nfs/dbraw/zinc/57/99/03/650579903.db2.gz ZGFFRLRYZQKPSU-UHFFFAOYSA-N 0 3 276.311 2.403 20 10 CECDHN COC(=O)CC1([NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877139861 650591767 /nfs/dbraw/zinc/59/17/67/650591767.db2.gz DBIOWFIXEGHBGQ-UHFFFAOYSA-N 0 3 263.337 2.276 20 10 CECDHN Cc1cccc(O)c1CN1CCN(Cc2ccncc2)CC1 ZINC000877169737 650607202 /nfs/dbraw/zinc/60/72/02/650607202.db2.gz UIPQYCBJCSPYKQ-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC([C@H](C)CO)CC1 ZINC000846058104 641165920 /nfs/dbraw/zinc/16/59/20/641165920.db2.gz LGSAITWFLMJQSM-GFCCVEGCSA-N 0 3 279.380 2.241 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CN(CC)C(=O)O1 ZINC000846809998 641433469 /nfs/dbraw/zinc/43/34/69/641433469.db2.gz TXAWWJPVSCDQTF-CQSZACIVSA-N 0 3 292.379 2.445 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CN(CC)C(=O)O1 ZINC000846809998 641433475 /nfs/dbraw/zinc/43/34/75/641433475.db2.gz TXAWWJPVSCDQTF-CQSZACIVSA-N 0 3 292.379 2.445 20 10 CECDHN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877322715 650675598 /nfs/dbraw/zinc/67/55/98/650675598.db2.gz CCHBKYJHWDKALZ-RYUDHWBXSA-N 0 3 265.353 2.378 20 10 CECDHN Cc1cccc(O)c1CN1CCN(c2ccnc(C)n2)CC1 ZINC000877347364 650681824 /nfs/dbraw/zinc/68/18/24/650681824.db2.gz VGCIEVCDBNVELD-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCCCS(C)(=O)=O ZINC000877423456 650714934 /nfs/dbraw/zinc/71/49/34/650714934.db2.gz ARXNQAKAZGLVJP-UHFFFAOYSA-N 0 3 285.409 2.005 20 10 CECDHN CCOc1ccc(C[NH2+]CCOCC(F)F)c([O-])c1 ZINC000788072218 642160381 /nfs/dbraw/zinc/16/03/81/642160381.db2.gz AFBOBVYUKMFLLH-UHFFFAOYSA-N 0 3 275.295 2.162 20 10 CECDHN CCCCCN(CC(N)=O)Cc1cccc(CC)c1O ZINC000848901669 642180110 /nfs/dbraw/zinc/18/01/10/642180110.db2.gz ZHNMQLWZVPCCMQ-UHFFFAOYSA-N 0 3 278.396 2.432 20 10 CECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877459825 650728793 /nfs/dbraw/zinc/72/87/93/650728793.db2.gz LURRYBVYEYLBPF-RDJZCZTQSA-N 0 3 293.407 2.356 20 10 CECDHN C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000848919390 642192143 /nfs/dbraw/zinc/19/21/43/642192143.db2.gz KHFYGQDKJAMMIR-UKRRQHHQSA-N 0 3 290.407 2.296 20 10 CECDHN Cc1ccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000877487283 650745306 /nfs/dbraw/zinc/74/53/06/650745306.db2.gz SDCYYXWEIKIOIB-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@]2(CCCOC2)C1 ZINC000877513484 650758849 /nfs/dbraw/zinc/75/88/49/650758849.db2.gz WWTYILWGFDPWHK-MRXNPFEDSA-N 0 3 277.364 2.082 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000186456440 642571314 /nfs/dbraw/zinc/57/13/14/642571314.db2.gz NRAYLTUKMVDDST-ZYHUDNBSSA-N 0 3 296.342 2.413 20 10 CECDHN COc1cccc(CNCc2cncc(OC)c2C)c1O ZINC000877527449 650768471 /nfs/dbraw/zinc/76/84/71/650768471.db2.gz ZZPPRFFDHAHZKC-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN Oc1cc2c(cc1CN[C@H]1C[C@H](O)c3ccccc31)OCO2 ZINC000850372245 642685275 /nfs/dbraw/zinc/68/52/75/642685275.db2.gz RSFGNPBVXAQITJ-ZFWWWQNUSA-N 0 3 299.326 2.389 20 10 CECDHN CCn1cccc(CNCc2ccc3c(c2)CCCO3)c1=O ZINC000922074794 642866243 /nfs/dbraw/zinc/86/62/43/642866243.db2.gz YGQZIPCHRDAOER-UHFFFAOYSA-N 0 3 298.386 2.483 20 10 CECDHN CCCN1C[C@H](C[NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877595110 650806538 /nfs/dbraw/zinc/80/65/38/650806538.db2.gz RRHXVOKDVKZUFU-ZDUSSCGKSA-N 0 3 276.380 2.049 20 10 CECDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC000877623191 650818389 /nfs/dbraw/zinc/81/83/89/650818389.db2.gz YYIJRJSMHRVGLS-OAHLLOKOSA-N 0 3 279.380 2.232 20 10 CECDHN C[C@@H]1COC[C@@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000922641298 643179780 /nfs/dbraw/zinc/17/97/80/643179780.db2.gz ZZWFCFBONVZIKH-RNCFNFMXSA-N 0 3 270.323 2.155 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000877683258 650848055 /nfs/dbraw/zinc/84/80/55/650848055.db2.gz VGGVRZKGCXEARH-OADFYJJDSA-N 0 3 263.312 2.044 20 10 CECDHN C[NH+](C)CCN(Cc1ccco1)C(=O)c1cc([O-])cs1 ZINC000755870291 644573588 /nfs/dbraw/zinc/57/35/88/644573588.db2.gz BJADBPQMERBYRF-UHFFFAOYSA-N 0 3 294.376 2.251 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCCO1 ZINC000756134888 644605660 /nfs/dbraw/zinc/60/56/60/644605660.db2.gz SKAIQJXPDZZNMA-CQSZACIVSA-N 0 3 251.326 2.060 20 10 CECDHN CNC(=O)CCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756483584 644653528 /nfs/dbraw/zinc/65/35/28/644653528.db2.gz PADHCWHQIXVZLS-MWLCHTKSSA-N 0 3 280.343 2.195 20 10 CECDHN O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000856480769 644682236 /nfs/dbraw/zinc/68/22/36/644682236.db2.gz XMCJWJLHISZTII-GFCCVEGCSA-N 0 3 294.420 2.306 20 10 CECDHN O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000856480769 644682240 /nfs/dbraw/zinc/68/22/40/644682240.db2.gz XMCJWJLHISZTII-GFCCVEGCSA-N 0 3 294.420 2.306 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756733918 644687453 /nfs/dbraw/zinc/68/74/53/644687453.db2.gz RSQNCZFZQCQEGT-OLZOCXBDSA-N 0 3 267.369 2.403 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000858300058 645110293 /nfs/dbraw/zinc/11/02/93/645110293.db2.gz FKBAFLPOCIRDHZ-SJLPKXTDSA-N 0 3 299.370 2.299 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(C)cc1[O-] ZINC000858522396 645190694 /nfs/dbraw/zinc/19/06/94/645190694.db2.gz DQXVGGSSUCRXDC-UKRRQHHQSA-N 0 3 278.396 2.072 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1COCCN1C)c1ccc(C)cc1[O-] ZINC000858522397 645190930 /nfs/dbraw/zinc/19/09/30/645190930.db2.gz DQXVGGSSUCRXDC-ZFWWWQNUSA-N 0 3 278.396 2.072 20 10 CECDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)F ZINC000858597212 645217248 /nfs/dbraw/zinc/21/72/48/645217248.db2.gz WWHCTDFYJQOOMW-NSHDSACASA-N 0 3 270.323 2.166 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000878242128 651043506 /nfs/dbraw/zinc/04/35/06/651043506.db2.gz NCIPLYGNQGRKDY-HNNXBMFYSA-N 0 3 293.407 2.270 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(O)CCCCC1 ZINC000878242128 651043508 /nfs/dbraw/zinc/04/35/08/651043508.db2.gz NCIPLYGNQGRKDY-HNNXBMFYSA-N 0 3 293.407 2.270 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)[C@H](O)CO2 ZINC000768463333 646127089 /nfs/dbraw/zinc/12/70/89/646127089.db2.gz HAZWBFNNGRJTBO-CQSZACIVSA-N 0 3 275.348 2.194 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(CCC3)C1)[C@H](O)CO2 ZINC000768463333 646127093 /nfs/dbraw/zinc/12/70/93/646127093.db2.gz HAZWBFNNGRJTBO-CQSZACIVSA-N 0 3 275.348 2.194 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000768465709 646127965 /nfs/dbraw/zinc/12/79/65/646127965.db2.gz QQKVEBNTLRKNDH-NHYWBVRUSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)[C@@H](O)CO2 ZINC000768465709 646127968 /nfs/dbraw/zinc/12/79/68/646127968.db2.gz QQKVEBNTLRKNDH-NHYWBVRUSA-N 0 3 275.348 2.050 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000769340281 646248468 /nfs/dbraw/zinc/24/84/68/646248468.db2.gz VLNDZBUVSLNUFN-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCOC1 ZINC000769340281 646248470 /nfs/dbraw/zinc/24/84/70/646248470.db2.gz VLNDZBUVSLNUFN-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCN1CC(F)F ZINC000862469136 646472769 /nfs/dbraw/zinc/47/27/69/646472769.db2.gz ZNHSVMVIXGIBKB-GFCCVEGCSA-N 0 3 288.313 2.350 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)CCCO ZINC000771897251 646567098 /nfs/dbraw/zinc/56/70/98/646567098.db2.gz HCBNCBNCBUHCIS-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000775586844 646969908 /nfs/dbraw/zinc/96/99/08/646969908.db2.gz PRTAFHCSDOPOCE-KOLCDFICSA-N 0 3 280.343 2.148 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])[C@@H](C)CN1C ZINC000775985481 647013663 /nfs/dbraw/zinc/01/36/63/647013663.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])[C@@H](C)CN1C ZINC000775985481 647013666 /nfs/dbraw/zinc/01/36/66/647013666.db2.gz LRNNQKJFXGFKBJ-MNOVXSKESA-N 0 3 252.333 2.056 20 10 CECDHN CCOc1ccc(CNCc2conc2C)c(O)c1 ZINC000865679050 647420585 /nfs/dbraw/zinc/42/05/85/647420585.db2.gz WAMBOZFTEMRXER-UHFFFAOYSA-N 0 3 262.309 2.377 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780892563 647478516 /nfs/dbraw/zinc/47/85/16/647478516.db2.gz LMXJPXRDSUUMQH-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780892563 647478518 /nfs/dbraw/zinc/47/85/18/647478518.db2.gz LMXJPXRDSUUMQH-STQMWFEESA-N 0 3 279.380 2.384 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000783505589 647722171 /nfs/dbraw/zinc/72/21/71/647722171.db2.gz IEWZPAVOYQOPGF-NEPJUHHUSA-N 0 3 278.352 2.274 20 10 CECDHN C[C@H](Cc1cnccn1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783506585 647722574 /nfs/dbraw/zinc/72/25/74/647722574.db2.gz YMDXVPKJKNECDE-VXGBXAGGSA-N 0 3 257.337 2.464 20 10 CECDHN CCOc1cccc(CN2CCOCC3(CC3)C2)c1O ZINC000783600145 647735375 /nfs/dbraw/zinc/73/53/75/647735375.db2.gz WHDHHELFMCCSSW-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)COCC(C)C)c1ccccc1[O-] ZINC000121081467 647806766 /nfs/dbraw/zinc/80/67/66/647806766.db2.gz MWXAUFZKUTZGTH-ZFWWWQNUSA-N 0 3 281.396 2.466 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2C)c1O ZINC000788268590 648167476 /nfs/dbraw/zinc/16/74/76/648167476.db2.gz GKOWXGAKLVDDLX-KWQFWETISA-N 0 3 271.744 2.009 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c([O-])c1 ZINC000788633825 648209758 /nfs/dbraw/zinc/20/97/58/648209758.db2.gz VADPXSDPMQFCLG-RHSMWYFYSA-N 0 3 293.407 2.449 20 10 CECDHN CCCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649363 651335395 /nfs/dbraw/zinc/33/53/95/651335395.db2.gz RDYNGXPJHOKLML-VXGBXAGGSA-N 0 3 264.369 2.348 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1[O-] ZINC000879650859 651335735 /nfs/dbraw/zinc/33/57/35/651335735.db2.gz UHBPITKWCFLNLB-IUCAKERBSA-N 0 3 263.259 2.356 20 10 CECDHN C[C@H]([NH2+]CC(=O)N(C)Cc1ccco1)c1ccccc1[O-] ZINC000879652490 651336059 /nfs/dbraw/zinc/33/60/59/651336059.db2.gz DXMVAFCWEGMLPF-LBPRGKRZSA-N 0 3 288.347 2.294 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2CCCC23OCCO3)cc1F ZINC000883178738 652391054 /nfs/dbraw/zinc/39/10/54/652391054.db2.gz CYRIWKHJAJQRCK-OAHLLOKOSA-N 0 3 294.370 2.277 20 10 CECDHN [O-]c1c(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349675 809643116 /nfs/dbraw/zinc/64/31/16/809643116.db2.gz ZDNOIEFEEYKRGM-VXGBXAGGSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349675 809643120 /nfs/dbraw/zinc/64/31/20/809643120.db2.gz ZDNOIEFEEYKRGM-VXGBXAGGSA-N 0 3 282.334 2.387 20 10 CECDHN C[C@@]1([NH3+])CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000405771636 803401343 /nfs/dbraw/zinc/40/13/43/803401343.db2.gz AJOGYHDUZZYJMU-GFCCVEGCSA-N 0 3 285.185 2.078 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C(C)(C)O)c1[O-] ZINC000393962387 803577018 /nfs/dbraw/zinc/57/70/18/803577018.db2.gz VKHRYVSKOJEFBZ-QMMMGPOBSA-N 0 3 273.760 2.303 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1=O ZINC000722361526 804381747 /nfs/dbraw/zinc/38/17/47/804381747.db2.gz MUQVIBMPDBLDLI-GXTWGEPZSA-N 0 3 276.380 2.362 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C(F)F)c1[O-] ZINC000716714577 815143215 /nfs/dbraw/zinc/14/32/15/815143215.db2.gz BZCRRDAACYMYNX-VIFPVBQESA-N 0 3 295.713 2.160 20 10 CECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001236784444 808165639 /nfs/dbraw/zinc/16/56/39/808165639.db2.gz WSYNCOUUHIIJCD-ZIAGYGMSSA-N 0 3 267.344 2.249 20 10 CECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](F)CC2)c([O-])c1 ZINC001236784444 808165643 /nfs/dbraw/zinc/16/56/43/808165643.db2.gz WSYNCOUUHIIJCD-ZIAGYGMSSA-N 0 3 267.344 2.249 20 10 CECDHN COc1ccc(CNCc2cc(OC)ccc2O)nc1 ZINC001120033441 815191010 /nfs/dbraw/zinc/19/10/10/815191010.db2.gz ONYZYOHMJPJQSF-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]2SC)c([O-])c1 ZINC000701992614 809483258 /nfs/dbraw/zinc/48/32/58/809483258.db2.gz KTWPPHKEGDEXSR-DGCLKSJQSA-N 0 3 253.367 2.384 20 10 CECDHN Cc1cc(C)c(C[NH2+][C@@H]2CCN3C(=O)CC[C@H]3C2)c([O-])c1 ZINC001172163232 815325715 /nfs/dbraw/zinc/32/57/15/815325715.db2.gz UUAORNWVWBIZHC-KGLIPLIRSA-N 0 3 288.391 2.252 20 10 CECDHN CN(CCC[NH+](C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708382718 809928401 /nfs/dbraw/zinc/92/84/01/809928401.db2.gz GZSQIIBVNGMVDX-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN CN(C)CCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708382718 809928405 /nfs/dbraw/zinc/92/84/05/809928405.db2.gz GZSQIIBVNGMVDX-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN CN(C)CCC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708382718 809928410 /nfs/dbraw/zinc/92/84/10/809928410.db2.gz GZSQIIBVNGMVDX-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN CC(C)[N@H+](C)CCCNCc1cc(F)cc(F)c1[O-] ZINC000708517891 809944663 /nfs/dbraw/zinc/94/46/63/809944663.db2.gz XGXYNOOLQAECGQ-UHFFFAOYSA-N 0 3 272.339 2.490 20 10 CECDHN CC(C)[N@@H+](C)CCCNCc1cc(F)cc(F)c1[O-] ZINC000708517891 809944668 /nfs/dbraw/zinc/94/46/68/809944668.db2.gz XGXYNOOLQAECGQ-UHFFFAOYSA-N 0 3 272.339 2.490 20 10 CECDHN C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001122257892 815396605 /nfs/dbraw/zinc/39/66/05/815396605.db2.gz FDOZRCXZWCDYET-NHYWBVRUSA-N 0 3 280.343 2.055 20 10 CECDHN [NH3+][C@@H](C(=O)NCc1c([O-])cccc1F)C1CCCCCC1 ZINC001122258264 815397462 /nfs/dbraw/zinc/39/74/62/815397462.db2.gz PLEDNTJDCKZSKG-OAHLLOKOSA-N 0 3 294.370 2.445 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001169483776 811529602 /nfs/dbraw/zinc/52/96/02/811529602.db2.gz GLSRKIFYOSYKIS-ZDUSSCGKSA-N 0 3 290.407 2.397 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001169483776 811529608 /nfs/dbraw/zinc/52/96/08/811529608.db2.gz GLSRKIFYOSYKIS-ZDUSSCGKSA-N 0 3 290.407 2.397 20 10 CECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(O)c2[O-])CCO1 ZINC001170180836 812326511 /nfs/dbraw/zinc/32/65/11/812326511.db2.gz CLGSLLDRQPMOGT-NWDGAFQWSA-N 0 3 251.326 2.145 20 10 CECDHN COc1cc(Cl)cc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000392456918 813303435 /nfs/dbraw/zinc/30/34/35/813303435.db2.gz KXMWLJVXUFZRIJ-ZETCQYMHSA-N 0 3 296.758 2.332 20 10 CECDHN CC(C)[N@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C)CC1 ZINC001144516225 814099711 /nfs/dbraw/zinc/09/97/11/814099711.db2.gz UKPAKJSVPZZKSS-UHFFFAOYSA-N 0 3 294.395 2.108 20 10 CECDHN CC(C)[N@@H+](Cc1c([O-])cc(O)cc1O)C1CCN(C)CC1 ZINC001144516225 814099719 /nfs/dbraw/zinc/09/97/19/814099719.db2.gz UKPAKJSVPZZKSS-UHFFFAOYSA-N 0 3 294.395 2.108 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c([O-])c1 ZINC001116585332 814867235 /nfs/dbraw/zinc/86/72/35/814867235.db2.gz XOKPAXCCYNIZQM-AWEZNQCLSA-N 0 3 292.423 2.056 20 10 CECDHN [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1F ZINC001206197113 815638048 /nfs/dbraw/zinc/63/80/48/815638048.db2.gz GETTVOPRFWTRSD-CMPLNLGQSA-N 0 3 290.741 2.446 20 10 CECDHN CN1CC2(C1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138129517 815734099 /nfs/dbraw/zinc/73/40/99/815734099.db2.gz IFEWZAVWWFFSGU-UHFFFAOYSA-N 0 3 264.344 2.059 20 10 CECDHN C[N@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(F)c1[O-] ZINC001138128303 815734963 /nfs/dbraw/zinc/73/49/63/815734963.db2.gz BJCPZVQHCIZEBX-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@@H+]1C[C@H]2[C@H](C1)CCCN2Cc1cccc(F)c1[O-] ZINC001138128303 815734965 /nfs/dbraw/zinc/73/49/65/815734965.db2.gz BJCPZVQHCIZEBX-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCCc2cc(CN3CCCOCC3)ccc21 ZINC001138354762 815774898 /nfs/dbraw/zinc/77/48/98/815774898.db2.gz TXTQWOKYJVOUJN-UHFFFAOYSA-N 0 3 260.381 2.291 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173734486 815805311 /nfs/dbraw/zinc/80/53/11/815805311.db2.gz FWZNBLHHGMSPSS-YNEHKIRRSA-N 0 3 287.367 2.213 20 10 CECDHN CCN(C)Cc1ccc(N2CCOCC2)cc1F ZINC001140662212 816316903 /nfs/dbraw/zinc/31/69/03/816316903.db2.gz JDXNUIPOVOZPAC-UHFFFAOYSA-N 0 3 252.333 2.114 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001140947749 816422312 /nfs/dbraw/zinc/42/23/12/816422312.db2.gz DDXLALAAQYVGLT-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@](O)(CF)C2)c([O-])c1 ZINC001140947749 816422316 /nfs/dbraw/zinc/42/23/16/816422316.db2.gz DDXLALAAQYVGLT-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN CCC1(O)CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141029684 816449456 /nfs/dbraw/zinc/44/94/56/816449456.db2.gz ZVCJHNCQJOYKRW-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031815 816451939 /nfs/dbraw/zinc/45/19/39/816451939.db2.gz MVMXCGOICCCRFQ-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031815 816451941 /nfs/dbraw/zinc/45/19/41/816451941.db2.gz MVMXCGOICCCRFQ-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CCOCC2)c1 ZINC000036319392 361841068 /nfs/dbraw/zinc/84/10/68/361841068.db2.gz RYZPLRJHHZYJOL-JTQLQIEISA-N 0 3 251.326 2.230 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c([O-])c1 ZINC000036976451 361877081 /nfs/dbraw/zinc/87/70/81/361877081.db2.gz XMCIWYWKZKFTSP-YPMHNXCESA-N 0 3 262.353 2.020 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN2CCCCCC2)cc1 ZINC000007115167 343358205 /nfs/dbraw/zinc/35/82/05/343358205.db2.gz WLEPDHLEARUBPE-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000091899238 344173818 /nfs/dbraw/zinc/17/38/18/344173818.db2.gz LWXZFXDKTSYYTR-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000091899238 344173819 /nfs/dbraw/zinc/17/38/19/344173819.db2.gz LWXZFXDKTSYYTR-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000271818698 344667503 /nfs/dbraw/zinc/66/75/03/344667503.db2.gz NLLUBSFCRRTFNZ-JTQLQIEISA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccc(N2CCCN(C[C@@H]3CCCO3)CC2)cc1 ZINC000076851211 363544490 /nfs/dbraw/zinc/54/44/90/363544490.db2.gz CJUQKUWABPMGMI-KRWDZBQOSA-N 0 3 290.407 2.386 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)CCn2cccn2)cc1C ZINC000111168473 364725345 /nfs/dbraw/zinc/72/53/45/364725345.db2.gz UJPCLXHPPFIZAJ-UHFFFAOYSA-N 0 3 259.353 2.338 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)CCn2cccn2)cc1C ZINC000111168473 364725348 /nfs/dbraw/zinc/72/53/48/364725348.db2.gz UJPCLXHPPFIZAJ-UHFFFAOYSA-N 0 3 259.353 2.338 20 10 CECDHN Cc1cc(O)c(CN(C)CCn2cccn2)cc1C ZINC000111168473 364725353 /nfs/dbraw/zinc/72/53/53/364725353.db2.gz UJPCLXHPPFIZAJ-UHFFFAOYSA-N 0 3 259.353 2.338 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245587336 370844825 /nfs/dbraw/zinc/84/48/25/370844825.db2.gz FBLQHAPGKGNXGL-OCCSQVGLSA-N 0 3 265.378 2.099 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000245587336 370844827 /nfs/dbraw/zinc/84/48/27/370844827.db2.gz FBLQHAPGKGNXGL-OCCSQVGLSA-N 0 3 265.378 2.099 20 10 CECDHN CCCNC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000179662606 368346971 /nfs/dbraw/zinc/34/69/71/368346971.db2.gz AHGHYRWNBFPNOE-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180682311 368392393 /nfs/dbraw/zinc/39/23/93/368392393.db2.gz GZVREMWYBPEATQ-JTQLQIEISA-N 0 3 284.787 2.168 20 10 CECDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180682311 368392398 /nfs/dbraw/zinc/39/23/98/368392398.db2.gz GZVREMWYBPEATQ-JTQLQIEISA-N 0 3 284.787 2.168 20 10 CECDHN CC[C@@H](NC1CN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000181468514 368458535 /nfs/dbraw/zinc/45/85/35/368458535.db2.gz MPQZYTYMYRISPW-OAHLLOKOSA-N 0 3 291.395 2.244 20 10 CECDHN CCN(C)C(=O)CNCc1ccc(N(CC)CC)cc1 ZINC000185188412 368763366 /nfs/dbraw/zinc/76/33/66/368763366.db2.gz APPHSKXXXGCRDN-UHFFFAOYSA-N 0 3 277.412 2.101 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000188108980 369297299 /nfs/dbraw/zinc/29/72/99/369297299.db2.gz IIUSLODHVDZUEL-YPMHNXCESA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000188108980 369297302 /nfs/dbraw/zinc/29/73/02/369297302.db2.gz IIUSLODHVDZUEL-YPMHNXCESA-N 0 3 263.337 2.023 20 10 CECDHN CO[C@H](C)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107042 369297564 /nfs/dbraw/zinc/29/75/64/369297564.db2.gz MTIOLXGPGOMBSG-OLZOCXBDSA-N 0 3 296.386 2.348 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC=C(C)C)cc1OC ZINC000191614962 369726479 /nfs/dbraw/zinc/72/64/79/369726479.db2.gz JNJRMRGVVPTLCW-UHFFFAOYSA-N 0 3 251.326 2.465 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000191673983 369732550 /nfs/dbraw/zinc/73/25/50/369732550.db2.gz OLLPWFIICXHRQE-KYOSRNDESA-N 0 3 275.348 2.166 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H](CCO)COC)cc1 ZINC000268995711 372308593 /nfs/dbraw/zinc/30/85/93/372308593.db2.gz IHPWXTVHGRSLDK-UKRRQHHQSA-N 0 3 280.412 2.191 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H](C)Cn2cncn2)cc1 ZINC000269012583 372314154 /nfs/dbraw/zinc/31/41/54/372314154.db2.gz NYHKHHDNNQQBGS-KGLIPLIRSA-N 0 3 287.411 2.474 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)C(F)(F)F ZINC000271015700 373067995 /nfs/dbraw/zinc/06/79/95/373067995.db2.gz TVQPGSWEULOLKB-JQWIXIFHSA-N 0 3 277.286 2.492 20 10 CECDHN CCCOc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC000271024570 373074297 /nfs/dbraw/zinc/07/42/97/373074297.db2.gz CTSUDCBPRPBOQL-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317273 373147142 /nfs/dbraw/zinc/14/71/42/373147142.db2.gz JIWFMQIRXFCWBB-CZUORRHYSA-N 0 3 290.363 2.418 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317273 373147149 /nfs/dbraw/zinc/14/71/49/373147149.db2.gz JIWFMQIRXFCWBB-CZUORRHYSA-N 0 3 290.363 2.418 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271735190 373199886 /nfs/dbraw/zinc/19/98/86/373199886.db2.gz OFKQHVUNJNWTLB-JTQLQIEISA-N 0 3 283.755 2.349 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271735190 373199895 /nfs/dbraw/zinc/19/98/95/373199895.db2.gz OFKQHVUNJNWTLB-JTQLQIEISA-N 0 3 283.755 2.349 20 10 CECDHN Cc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1[O-] ZINC000271766375 373201012 /nfs/dbraw/zinc/20/10/12/373201012.db2.gz AJCZJWDQZMLJKM-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN Cc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1O ZINC000271766375 373201016 /nfs/dbraw/zinc/20/10/16/373201016.db2.gz AJCZJWDQZMLJKM-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN COc1ccc(O)c(CN[C@H](CO)c2ccc(F)cc2)c1 ZINC000271798418 373201422 /nfs/dbraw/zinc/20/14/22/373201422.db2.gz IIMDSONRZDQSOP-OAHLLOKOSA-N 0 3 291.322 2.363 20 10 CECDHN COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000271812753 373204741 /nfs/dbraw/zinc/20/47/41/373204741.db2.gz LDPKODUAUGMZID-CQSZACIVSA-N 0 3 287.787 2.231 20 10 CECDHN COCCCOCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000272353746 373444859 /nfs/dbraw/zinc/44/48/59/373444859.db2.gz LGCBRBWDZHGFFG-UHFFFAOYSA-N 0 3 298.402 2.377 20 10 CECDHN Cc1nccn1CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000272395203 373462752 /nfs/dbraw/zinc/46/27/52/373462752.db2.gz JJACYNUYMHXTMM-UHFFFAOYSA-N 0 3 263.316 2.216 20 10 CECDHN COCCOCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273391997 373755793 /nfs/dbraw/zinc/75/57/93/373755793.db2.gz LAZDOULSUFWFMK-ZDUSSCGKSA-N 0 3 267.369 2.323 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273445319 373757427 /nfs/dbraw/zinc/75/74/27/373757427.db2.gz DYDTXPZDFPWZFA-AAEUAGOBSA-N 0 3 299.436 2.483 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)c([O-])c1 ZINC000181270199 261428989 /nfs/dbraw/zinc/42/89/89/261428989.db2.gz YZGGXOZHFBTXAW-GFCCVEGCSA-N 0 3 264.369 2.266 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[O-] ZINC000375301873 374650242 /nfs/dbraw/zinc/65/02/42/374650242.db2.gz HZDQZXIKTGVOCL-GRDNDAEWSA-N 0 3 288.391 2.490 20 10 CECDHN CSCCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000281211421 375364383 /nfs/dbraw/zinc/36/43/83/375364383.db2.gz JUCMDKGUTCNUIQ-UHFFFAOYSA-N 0 3 269.366 2.306 20 10 CECDHN CSCCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000281211421 375364388 /nfs/dbraw/zinc/36/43/88/375364388.db2.gz JUCMDKGUTCNUIQ-UHFFFAOYSA-N 0 3 269.366 2.306 20 10 CECDHN C[C@H]([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000284404829 375828003 /nfs/dbraw/zinc/82/80/03/375828003.db2.gz PYWXULUBIKXCAW-ZOWXZIJZSA-N 0 3 281.396 2.201 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CSC[C@@H]2C)c1[O-] ZINC000285375263 375837766 /nfs/dbraw/zinc/83/77/66/375837766.db2.gz CMKCZLQYFQKBHU-ONGXEEELSA-N 0 3 253.367 2.242 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CSC[C@H]2C)c1[O-] ZINC000285375260 375837971 /nfs/dbraw/zinc/83/79/71/375837971.db2.gz CMKCZLQYFQKBHU-MWLCHTKSSA-N 0 3 253.367 2.242 20 10 CECDHN Cc1cccc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)c1[O-] ZINC000289266669 376390587 /nfs/dbraw/zinc/39/05/87/376390587.db2.gz GAUFHQZNJJDAKJ-UHFFFAOYSA-N 0 3 297.420 2.148 20 10 CECDHN CC[C@@H](NCc1ccc(OC)c(C)c1)[C@H](O)C(F)F ZINC000295071658 378038083 /nfs/dbraw/zinc/03/80/83/378038083.db2.gz PIEZKJMGJPLFAW-YPMHNXCESA-N 0 3 273.323 2.498 20 10 CECDHN C[C@@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296066663 378408677 /nfs/dbraw/zinc/40/86/77/378408677.db2.gz RYLJQQRKLNVUEM-AAEUAGOBSA-N 0 3 257.337 2.254 20 10 CECDHN CC1(C)COCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297734114 378689885 /nfs/dbraw/zinc/68/98/85/378689885.db2.gz NRKJSKFZKLCSOE-AWEZNQCLSA-N 0 3 290.407 2.080 20 10 CECDHN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(F)ccc1[O-] ZINC000529643990 380181217 /nfs/dbraw/zinc/18/12/17/380181217.db2.gz LFPCWFJROPCPDE-IINYFYTJSA-N 0 3 251.301 2.188 20 10 CECDHN CCOc1ccc(CN[C@H]2CC[NH2+]C23CCC3)c([O-])c1 ZINC000530176607 380196159 /nfs/dbraw/zinc/19/61/59/380196159.db2.gz CPXTYNYPOFVBRU-HNNXBMFYSA-N 0 3 276.380 2.165 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000184744390 262028073 /nfs/dbraw/zinc/02/80/73/262028073.db2.gz CKMBZUWKEFSKKA-ZJUUUORDSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000184744390 262028075 /nfs/dbraw/zinc/02/80/75/262028075.db2.gz CKMBZUWKEFSKKA-ZJUUUORDSA-N 0 3 285.771 2.257 20 10 CECDHN COc1ccc(CNC[C@@](C)(O)CSC)cc1C ZINC000217861979 394456238 /nfs/dbraw/zinc/45/62/38/394456238.db2.gz WUHNSYBMVJEDRG-CQSZACIVSA-N 0 3 269.410 2.207 20 10 CECDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000105442921 394722012 /nfs/dbraw/zinc/72/20/12/394722012.db2.gz BVLHDPZTYGPMNQ-GFCCVEGCSA-N 0 3 259.353 2.323 20 10 CECDHN C[C@@H](CNC(=O)N(C)Cc1ccccc1O)N(C)C1CC1 ZINC000105267338 394722051 /nfs/dbraw/zinc/72/20/51/394722051.db2.gz SVMCYJLEQWHMIN-LBPRGKRZSA-N 0 3 291.395 2.016 20 10 CECDHN Cc1cccc(CN2CCCN(C(=O)C3CC3)CC2)c1O ZINC000119113194 394764105 /nfs/dbraw/zinc/76/41/05/394764105.db2.gz AMFQPNWDOOSULU-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN COC(=O)[C@@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000120594774 394781542 /nfs/dbraw/zinc/78/15/42/394781542.db2.gz WGDLZVMRJMJOPJ-NSHDSACASA-N 0 3 282.359 2.133 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)OCO2 ZINC000121967525 394807393 /nfs/dbraw/zinc/80/73/93/394807393.db2.gz BJVVWEVZWTWBCM-UHFFFAOYSA-N 0 3 261.321 2.497 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(CCC3)C1)OCO2 ZINC000121967525 394807398 /nfs/dbraw/zinc/80/73/98/394807398.db2.gz BJVVWEVZWTWBCM-UHFFFAOYSA-N 0 3 261.321 2.497 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293517625 395237361 /nfs/dbraw/zinc/23/73/61/395237361.db2.gz AQOCQVANKSYRGZ-CQSZACIVSA-N 0 3 277.364 2.280 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](O)C23CCCC3)c1[O-] ZINC000293517625 395237365 /nfs/dbraw/zinc/23/73/65/395237365.db2.gz AQOCQVANKSYRGZ-CQSZACIVSA-N 0 3 277.364 2.280 20 10 CECDHN CC[C@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(F)F ZINC000294972045 395281890 /nfs/dbraw/zinc/28/18/90/395281890.db2.gz FUPRPSJYJNTSLK-STQMWFEESA-N 0 3 272.339 2.247 20 10 CECDHN C[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1[O-] ZINC000183395465 395256417 /nfs/dbraw/zinc/25/64/17/395256417.db2.gz VLMRWURCWWWPOM-LLVKDONJSA-N 0 3 274.320 2.066 20 10 CECDHN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1ccccc1[O-] ZINC000183614422 395261270 /nfs/dbraw/zinc/26/12/70/395261270.db2.gz DNWLMQUYEZYPGL-LBPRGKRZSA-N 0 3 276.380 2.349 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCOCC1)c1ccccc1[O-] ZINC000020141813 171028417 /nfs/dbraw/zinc/02/84/17/171028417.db2.gz WZCBDDVJUVXCRU-OAHLLOKOSA-N 0 3 278.396 2.155 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccccc2)c1 ZINC000035601134 172290233 /nfs/dbraw/zinc/29/02/33/172290233.db2.gz AUAJZHVJQISIPW-INIZCTEOSA-N 0 3 273.332 2.224 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933343 260052846 /nfs/dbraw/zinc/05/28/46/260052846.db2.gz DVJPPXAUASXYHM-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1SC ZINC000298198595 260147665 /nfs/dbraw/zinc/14/76/65/260147665.db2.gz XQTMMHFBWKJNCI-NJZAAPMLSA-N 0 3 297.420 2.399 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000128099715 260371741 /nfs/dbraw/zinc/37/17/41/260371741.db2.gz OMBBBZUMIWSVCO-FZZIBODNSA-N 0 3 265.353 2.211 20 10 CECDHN CC[C@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000155688106 261105871 /nfs/dbraw/zinc/10/58/71/261105871.db2.gz LEBVTBTZWHBWSI-HOCLYGCPSA-N 0 3 291.439 2.069 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@H](OC)C2)cc1OC ZINC000160125639 261206183 /nfs/dbraw/zinc/20/61/83/261206183.db2.gz PSVCUJUWSIJMGK-GFCCVEGCSA-N 0 3 281.352 2.020 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@]2(O)CCSC2)c([O-])c1 ZINC000176758333 261667443 /nfs/dbraw/zinc/66/74/43/261667443.db2.gz ZFAWXEVXOKLUIR-HNNXBMFYSA-N 0 3 297.420 2.139 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1 ZINC000179915955 261825307 /nfs/dbraw/zinc/82/53/07/261825307.db2.gz KTVIXPMXFDBAOS-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186486605 262095679 /nfs/dbraw/zinc/09/56/79/262095679.db2.gz YJAOHTVUJQNAEA-UHFFFAOYSA-N 0 3 279.405 2.490 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186486605 262095680 /nfs/dbraw/zinc/09/56/80/262095680.db2.gz YJAOHTVUJQNAEA-UHFFFAOYSA-N 0 3 279.405 2.490 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186520289 262096583 /nfs/dbraw/zinc/09/65/83/262096583.db2.gz YTLTYINZTHCIDD-RVAOTSRCSA-N 0 3 265.353 2.379 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000367434919 267089726 /nfs/dbraw/zinc/08/97/26/267089726.db2.gz ABNZQBZWZQHDST-UHFFFAOYSA-N 0 3 275.327 2.354 20 10 CECDHN COc1ccc(O)c(CN2CCOCC[C@@H]2C)c1 ZINC000368131990 267146512 /nfs/dbraw/zinc/14/65/12/267146512.db2.gz OYHMFXZVEIKICM-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC000371334497 267392701 /nfs/dbraw/zinc/39/27/01/267392701.db2.gz YWCTXSUBXNCCFB-UHFFFAOYSA-N 0 3 275.348 2.230 20 10 CECDHN CC[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1[O-] ZINC000274953376 288036925 /nfs/dbraw/zinc/03/69/25/288036925.db2.gz VNHPMWKTBYBQPC-ZDUSSCGKSA-N 0 3 276.380 2.479 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000527959925 313221065 /nfs/dbraw/zinc/22/10/65/313221065.db2.gz ZUBKGTSUPATPFG-CWRNSKLLSA-N 0 3 279.380 2.281 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000278555451 327175970 /nfs/dbraw/zinc/17/59/70/327175970.db2.gz OVWIJGXDULEESA-COPLHBTASA-N 0 3 265.353 2.476 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1cc(C)ccc1[O-] ZINC000092380221 327193533 /nfs/dbraw/zinc/19/35/33/327193533.db2.gz MXZIUMJUUCQPBO-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1cc(C)ccc1[O-] ZINC000092380221 327193535 /nfs/dbraw/zinc/19/35/35/327193535.db2.gz MXZIUMJUUCQPBO-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000051991428 327548006 /nfs/dbraw/zinc/54/80/06/327548006.db2.gz PUKIAZBQGOQGEN-OLZOCXBDSA-N 0 3 265.353 2.184 20 10 CECDHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1[O-] ZINC000530216496 328716805 /nfs/dbraw/zinc/71/68/05/328716805.db2.gz PSJLDLAYCHXTTN-YGRLFVJLSA-N 0 3 264.344 2.467 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694309 329025157 /nfs/dbraw/zinc/02/51/57/329025157.db2.gz IJHDPEKOCJKZLP-QLFBSQMISA-N 0 3 288.391 2.396 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694309 329025158 /nfs/dbraw/zinc/02/51/58/329025158.db2.gz IJHDPEKOCJKZLP-QLFBSQMISA-N 0 3 288.391 2.396 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000179569046 329209789 /nfs/dbraw/zinc/20/97/89/329209789.db2.gz XDRRZTCFFRHVRG-INIZCTEOSA-N 0 3 290.407 2.079 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000179569046 329209790 /nfs/dbraw/zinc/20/97/90/329209790.db2.gz XDRRZTCFFRHVRG-INIZCTEOSA-N 0 3 290.407 2.079 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000180615946 329221231 /nfs/dbraw/zinc/22/12/31/329221231.db2.gz WUGRSGDGWMQKCO-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000180615946 329221232 /nfs/dbraw/zinc/22/12/32/329221232.db2.gz WUGRSGDGWMQKCO-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2csc(C)n2)c1 ZINC000224541102 333222302 /nfs/dbraw/zinc/22/23/02/333222302.db2.gz LJFADLYMOIIBNB-UHFFFAOYSA-N 0 3 278.377 2.498 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000228089599 333294753 /nfs/dbraw/zinc/29/47/53/333294753.db2.gz LYKMPNWIGYGXEZ-JSGCOSHPSA-N 0 3 276.380 2.444 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1OC ZINC000529670091 333505107 /nfs/dbraw/zinc/50/51/07/333505107.db2.gz QZIPGNKCCZAXDU-INLINHOESA-N 0 3 295.379 2.311 20 10 CECDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCS1 ZINC000083630842 520475603 /nfs/dbraw/zinc/47/56/03/520475603.db2.gz NTTCWFMDQQIXAG-UHFFFAOYSA-N 0 3 281.377 2.448 20 10 CECDHN CCC[C@H](N)C(=O)N(CCC)Cc1ccccc1O ZINC000236795039 521105840 /nfs/dbraw/zinc/10/58/40/521105840.db2.gz QVZYPJQGSKAXKI-ZDUSSCGKSA-N 0 3 264.369 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](COC)[C@@H]2CCCO2)c1 ZINC000278778416 521154322 /nfs/dbraw/zinc/15/43/22/521154322.db2.gz YVZORQQMIOGKKA-ZBFHGGJFSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](COC)[C@@H]2CCCO2)c1 ZINC000278778416 521154337 /nfs/dbraw/zinc/15/43/37/521154337.db2.gz YVZORQQMIOGKKA-ZBFHGGJFSA-N 0 3 295.379 2.075 20 10 CECDHN COC[C@@H](NCc1ccc(OC)c(C)c1)[C@@H]1CCCO1 ZINC000278616635 522365386 /nfs/dbraw/zinc/36/53/86/522365386.db2.gz JHFJRBJULNNSFE-ZBFHGGJFSA-N 0 3 279.380 2.287 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000274879185 522609101 /nfs/dbraw/zinc/60/91/01/522609101.db2.gz HFQFIHIGFJERBE-GOEBONIOSA-N 0 3 279.380 2.220 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000275961389 522773642 /nfs/dbraw/zinc/77/36/42/522773642.db2.gz KEMUMASIGIWIML-JOCQHMNTSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1OC ZINC000275961389 522773648 /nfs/dbraw/zinc/77/36/48/522773648.db2.gz KEMUMASIGIWIML-JOCQHMNTSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000160390375 522778109 /nfs/dbraw/zinc/77/81/09/522778109.db2.gz RBVIEGTZCSCYMY-MRXNPFEDSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1OC ZINC000160390375 522778114 /nfs/dbraw/zinc/77/81/14/522778114.db2.gz RBVIEGTZCSCYMY-MRXNPFEDSA-N 0 3 293.363 2.022 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C)cc1[O-] ZINC000279973784 522927349 /nfs/dbraw/zinc/92/73/49/522927349.db2.gz DDTHQZBRRHJPMY-GDBMZVCRSA-N 0 3 292.423 2.462 20 10 CECDHN CNC(=O)CC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000074723633 524055983 /nfs/dbraw/zinc/05/59/83/524055983.db2.gz SHXVFLFQHWJMLX-UHFFFAOYSA-N 0 3 290.407 2.357 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C)c2ccccc2[O-])c(=O)n1C ZINC000279442254 524605030 /nfs/dbraw/zinc/60/50/30/524605030.db2.gz HOCHFEWXWXBZDA-GFCCVEGCSA-N 0 3 272.348 2.250 20 10 CECDHN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617558 524790956 /nfs/dbraw/zinc/79/09/56/524790956.db2.gz GNYIBNMUYZJYDL-MNOVXSKESA-N 0 3 263.316 2.467 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280417846 525346601 /nfs/dbraw/zinc/34/66/01/525346601.db2.gz IIWSJRGJRJBASK-CQSZACIVSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCCN2CCCO[C@H](C)C2)c1 ZINC000277826154 525350874 /nfs/dbraw/zinc/35/08/74/525350874.db2.gz LIRYZKZZQSDRAF-OAHLLOKOSA-N 0 3 292.423 2.291 20 10 CECDHN C[C@@H]1OCC[C@@]12C[N@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570362 525586601 /nfs/dbraw/zinc/58/66/01/525586601.db2.gz VSUIHONQSOKDCM-DVOMOZLQSA-N 0 3 277.364 2.161 20 10 CECDHN C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570362 525586610 /nfs/dbraw/zinc/58/66/10/525586610.db2.gz VSUIHONQSOKDCM-DVOMOZLQSA-N 0 3 277.364 2.161 20 10 CECDHN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000748241577 574437904 /nfs/dbraw/zinc/43/79/04/574437904.db2.gz AEZDPDAZQUNSOC-OAHLLOKOSA-N 0 3 281.352 2.222 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCCC[C@@H]1C ZINC000732271202 574616804 /nfs/dbraw/zinc/61/68/04/574616804.db2.gz QRFLTHLODUJGOC-QWRGUYRKSA-N 0 3 282.409 2.446 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCCC[C@@H]1C ZINC000732271202 574616805 /nfs/dbraw/zinc/61/68/05/574616805.db2.gz QRFLTHLODUJGOC-QWRGUYRKSA-N 0 3 282.409 2.446 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCCC[C@H]1C ZINC000732271201 574616981 /nfs/dbraw/zinc/61/69/81/574616981.db2.gz QRFLTHLODUJGOC-MNOVXSKESA-N 0 3 282.409 2.446 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCCC[C@H]1C ZINC000732271201 574616983 /nfs/dbraw/zinc/61/69/83/574616983.db2.gz QRFLTHLODUJGOC-MNOVXSKESA-N 0 3 282.409 2.446 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000732669671 574625593 /nfs/dbraw/zinc/62/55/93/574625593.db2.gz RASFFVZTKOORHF-HNNXBMFYSA-N 0 3 265.353 2.042 20 10 CECDHN CCCN(C)CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719287 575109138 /nfs/dbraw/zinc/10/91/38/575109138.db2.gz VSZZNQCEVPGCJY-UHFFFAOYSA-N 0 3 290.407 2.229 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(OC)CCOCC2)c([O-])c1 ZINC000746754472 575163590 /nfs/dbraw/zinc/16/35/90/575163590.db2.gz KQZFYJSGZCIALP-UHFFFAOYSA-N 0 3 295.379 2.076 20 10 CECDHN C[NH2+][C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000053201289 623366633 /nfs/dbraw/zinc/36/66/33/623366633.db2.gz JQYDFMVFBNCICX-GFCCVEGCSA-N 0 3 254.761 2.229 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179873570 625671011 /nfs/dbraw/zinc/67/10/11/625671011.db2.gz JRLLXVLDAGLQHK-OLZOCXBDSA-N 0 3 267.369 2.076 20 10 CECDHN COc1cc(Br)cc(CNCCF)c1O ZINC000309072571 624495973 /nfs/dbraw/zinc/49/59/73/624495973.db2.gz GCUAGLGULAHVIU-UHFFFAOYSA-N 0 3 278.121 2.222 20 10 CECDHN COc1ccc(C[NH2+]CC2(SC)CC2)c([O-])c1 ZINC000193653673 628483231 /nfs/dbraw/zinc/48/32/31/628483231.db2.gz NGJMTPDJMNQKKA-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1[O-] ZINC000925786253 628825261 /nfs/dbraw/zinc/82/52/61/628825261.db2.gz SXPZAYZLISPYCH-OASPWFOLSA-N 0 3 252.333 2.180 20 10 CECDHN COc1cc(C)cc(CN2CCSC[C@H]2CCO)c1O ZINC000894089920 629119635 /nfs/dbraw/zinc/11/96/35/629119635.db2.gz XZDJDRJOQKHKJF-CYBMUJFWSA-N 0 3 297.420 2.009 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(C)cc1[O-] ZINC000794810574 629325867 /nfs/dbraw/zinc/32/58/67/629325867.db2.gz LWONYQYUTMRRJN-CMPLNLGQSA-N 0 3 250.342 2.005 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000895459735 630202061 /nfs/dbraw/zinc/20/20/61/630202061.db2.gz HNBOMDFUJUJMDN-UTUOFQBUSA-N 0 3 263.337 2.385 20 10 CECDHN COCC1CN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000895969511 630422649 /nfs/dbraw/zinc/42/26/49/630422649.db2.gz DXXPDRSBCYPOQQ-SNAWJCMRSA-N 0 3 260.381 2.344 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000896667327 630632668 /nfs/dbraw/zinc/63/26/68/630632668.db2.gz JMCQUXZTIOUEKS-INIZCTEOSA-N 0 3 279.380 2.374 20 10 CECDHN CCC[N@H+](CCC(=O)N(C)OC)Cc1ccccc1[O-] ZINC000799125969 630983665 /nfs/dbraw/zinc/98/36/65/630983665.db2.gz VZQBFMWHWXVFOD-UHFFFAOYSA-N 0 3 280.368 2.014 20 10 CECDHN CCC[N@@H+](CCC(=O)N(C)OC)Cc1ccccc1[O-] ZINC000799125969 630983668 /nfs/dbraw/zinc/98/36/68/630983668.db2.gz VZQBFMWHWXVFOD-UHFFFAOYSA-N 0 3 280.368 2.014 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCN(C)C)c2c1c(F)ccc2[O-] ZINC000806171461 631724546 /nfs/dbraw/zinc/72/45/46/631724546.db2.gz JMXXIMDYWSHNHI-KOLCDFICSA-N 0 3 252.333 2.231 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000927147015 632594662 /nfs/dbraw/zinc/59/46/62/632594662.db2.gz IKSAVTGBIUBVEL-GMOBBJLQSA-N 0 3 265.328 2.440 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813333331 632671644 /nfs/dbraw/zinc/67/16/44/632671644.db2.gz LOHHWWVCKCEWDX-CQSZACIVSA-N 0 3 269.316 2.164 20 10 CECDHN CCOc1ccc(C[NH2+]CCc2nccnc2C)c([O-])c1 ZINC000815153882 632973498 /nfs/dbraw/zinc/97/34/98/632973498.db2.gz GFTFRKWEGLHEDB-UHFFFAOYSA-N 0 3 287.363 2.222 20 10 CECDHN C[C@@H]([NH2+]C1CCNCC1)c1cc(F)cc(F)c1[O-] ZINC000817937570 633787733 /nfs/dbraw/zinc/78/77/33/633787733.db2.gz XUVORNXIDFCMJQ-MRVPVSSYSA-N 0 3 256.296 2.073 20 10 CECDHN Cc1cc([C@H](C)NCCc2ccc(N)cc2)nn1C ZINC000817957322 633800033 /nfs/dbraw/zinc/80/00/33/633800033.db2.gz KVNSCLUGASWDJN-LBPRGKRZSA-N 0 3 258.369 2.204 20 10 CECDHN CCCC[C@@H](CN)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817962069 633804334 /nfs/dbraw/zinc/80/43/34/633804334.db2.gz HPPMSTZLJVTGLU-YPMHNXCESA-N 0 3 294.395 2.347 20 10 CECDHN CC[C@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1[O-] ZINC000817964774 633806420 /nfs/dbraw/zinc/80/64/20/633806420.db2.gz IFEHIAOLLPUVJF-LBPRGKRZSA-N 0 3 252.333 2.453 20 10 CECDHN [O-]c1cccc(Cl)c1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841075812 635031467 /nfs/dbraw/zinc/03/14/67/635031467.db2.gz XQJMQDAZAHLREM-NSHDSACASA-N 0 3 276.714 2.132 20 10 CECDHN COC[C@](C)(O)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824559433 635450345 /nfs/dbraw/zinc/45/03/45/635450345.db2.gz UFBDDVUZOOWGLP-CQSZACIVSA-N 0 3 287.787 2.231 20 10 CECDHN COC[C@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000824577045 635454990 /nfs/dbraw/zinc/45/49/90/635454990.db2.gz YTQJFKSBUCLGJA-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000824577045 635454997 /nfs/dbraw/zinc/45/49/97/635454997.db2.gz YTQJFKSBUCLGJA-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)C1CCSCC1 ZINC000825133605 635576545 /nfs/dbraw/zinc/57/65/45/635576545.db2.gz JNKIPHGLDTUHCB-UHFFFAOYSA-N 0 3 285.384 2.221 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+](CCO)C1CCSCC1 ZINC000825133605 635576550 /nfs/dbraw/zinc/57/65/50/635576550.db2.gz JNKIPHGLDTUHCB-UHFFFAOYSA-N 0 3 285.384 2.221 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000825331304 635618301 /nfs/dbraw/zinc/61/83/01/635618301.db2.gz CPBFUDTVCDDDSR-OLZOCXBDSA-N 0 3 277.364 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000825331304 635618303 /nfs/dbraw/zinc/61/83/03/635618303.db2.gz CPBFUDTVCDDDSR-OLZOCXBDSA-N 0 3 277.364 2.258 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCCCNC1 ZINC000841091387 637768343 /nfs/dbraw/zinc/76/83/43/637768343.db2.gz WRRGZIGDHTZJGS-NSHDSACASA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(Cl)cccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841091387 637768348 /nfs/dbraw/zinc/76/83/48/637768348.db2.gz WRRGZIGDHTZJGS-NSHDSACASA-N 0 3 254.761 2.277 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1ccc(C)cc1O ZINC000876632850 650368189 /nfs/dbraw/zinc/36/81/89/650368189.db2.gz YHWJSORCRDHERP-UHFFFAOYSA-N 0 3 264.369 2.001 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccco1)CC2 ZINC000834624026 637893926 /nfs/dbraw/zinc/89/39/26/637893926.db2.gz DWWBYTNRJDTDNB-IUODEOHRSA-N 0 3 287.359 2.413 20 10 CECDHN CN(C)c1nccc(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000834702704 637923318 /nfs/dbraw/zinc/92/33/18/637923318.db2.gz STSXEVJOEPHPFN-ZDUSSCGKSA-N 0 3 284.363 2.025 20 10 CECDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C[C@H]2CCCCN12 ZINC000834911860 637986429 /nfs/dbraw/zinc/98/64/29/637986429.db2.gz BGJONJJSLUWRLF-HZSPNIEDSA-N 0 3 286.375 2.123 20 10 CECDHN COCC(COC)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835055688 638042554 /nfs/dbraw/zinc/04/25/54/638042554.db2.gz XOFHUQFKIKXBNO-WAYWQWQTSA-N 0 3 278.396 2.017 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000876690184 650401626 /nfs/dbraw/zinc/40/16/26/650401626.db2.gz GVAKDQDOWXXTOL-UHFFFAOYSA-N 0 3 288.391 2.287 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000876805659 650440458 /nfs/dbraw/zinc/44/04/58/650440458.db2.gz DSHRYPBTZZAKPL-JKSUJKDBSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000876817883 650444979 /nfs/dbraw/zinc/44/49/79/650444979.db2.gz OHKSANDOZZQWKN-LSDHHAIUSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000876817883 650444983 /nfs/dbraw/zinc/44/49/83/650444983.db2.gz OHKSANDOZZQWKN-LSDHHAIUSA-N 0 3 288.391 2.191 20 10 CECDHN CC(C)CC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000876873237 650467457 /nfs/dbraw/zinc/46/74/57/650467457.db2.gz ZKLYLDWEJOCPPB-INIZCTEOSA-N 0 3 291.439 2.475 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840976500 639607113 /nfs/dbraw/zinc/60/71/13/639607113.db2.gz WYPGGBJGTOKECW-HNNXBMFYSA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840976500 639607116 /nfs/dbraw/zinc/60/71/16/639607116.db2.gz WYPGGBJGTOKECW-HNNXBMFYSA-N 0 3 281.327 2.306 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000060358328 639612088 /nfs/dbraw/zinc/61/20/88/639612088.db2.gz IOBXNZYMZQFRMR-OAHLLOKOSA-N 0 3 261.296 2.355 20 10 CECDHN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCCCN1 ZINC000841033619 639627023 /nfs/dbraw/zinc/62/70/23/639627023.db2.gz XWTOPNCMRLHULG-NSHDSACASA-N 0 3 299.212 2.386 20 10 CECDHN [O-]c1c(Br)cccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033619 639627027 /nfs/dbraw/zinc/62/70/27/639627027.db2.gz XWTOPNCMRLHULG-NSHDSACASA-N 0 3 299.212 2.386 20 10 CECDHN CC[NH2+]CCNCc1cc(C)cc(Br)c1[O-] ZINC000841037199 639628474 /nfs/dbraw/zinc/62/84/74/639628474.db2.gz PYDIJZNORBTOCR-UHFFFAOYSA-N 0 3 287.201 2.162 20 10 CECDHN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000228336954 639631077 /nfs/dbraw/zinc/63/10/77/639631077.db2.gz NZVINXXYFDAJTC-JTQLQIEISA-N 0 3 282.359 2.487 20 10 CECDHN Cc1cc([O-])c(CN[C@H](CC[NH3+])C(F)F)c(Cl)c1 ZINC000841075136 639645896 /nfs/dbraw/zinc/64/58/96/639645896.db2.gz WKNXONUBDSIONE-SNVBAGLBSA-N 0 3 278.730 2.426 20 10 CECDHN Cc1cc([O-])c(CN[C@@H]2C[NH2+]CCC2(F)F)c(Cl)c1 ZINC000841080294 639648324 /nfs/dbraw/zinc/64/83/24/639648324.db2.gz OJWAYGQMHBNRQX-GFCCVEGCSA-N 0 3 290.741 2.441 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@]3(CCC[NH2+]3)C2)c1[O-] ZINC000842477032 640076508 /nfs/dbraw/zinc/07/65/08/640076508.db2.gz CAYGJQLRJNAPDH-MRXNPFEDSA-N 0 3 292.354 2.062 20 10 CECDHN C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843057244 640260229 /nfs/dbraw/zinc/26/02/29/640260229.db2.gz HLDLCABARLOYOP-VHSXEESVSA-N 0 3 299.212 2.324 20 10 CECDHN C[C@@H]1C[C@H](C[NH3+])CN1Cc1cccc(Br)c1[O-] ZINC000843057871 640260343 /nfs/dbraw/zinc/26/03/43/640260343.db2.gz NFFQESDXLDGPEL-NXEZZACHSA-N 0 3 299.212 2.324 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000877132820 650588093 /nfs/dbraw/zinc/58/80/93/650588093.db2.gz OKUNPWRRNWALRT-GOEBONIOSA-N 0 3 277.364 2.128 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCC1(CO)CCC1 ZINC000846104166 641181926 /nfs/dbraw/zinc/18/19/26/641181926.db2.gz CQMQSPRNCBDGIL-UHFFFAOYSA-N 0 3 253.317 2.174 20 10 CECDHN COc1cccc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)c1O ZINC000846152883 641204465 /nfs/dbraw/zinc/20/44/65/641204465.db2.gz VGNNQNRUNDFKQD-YPMHNXCESA-N 0 3 292.379 2.061 20 10 CECDHN CC[C@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000846193168 641218901 /nfs/dbraw/zinc/21/89/01/641218901.db2.gz KJOPSIGJDBGFRJ-HOCLYGCPSA-N 0 3 279.380 2.283 20 10 CECDHN NC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180010958 641400770 /nfs/dbraw/zinc/40/07/70/641400770.db2.gz AYYUBZXEAVSHNO-NSHDSACASA-N 0 3 280.343 2.009 20 10 CECDHN NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180010958 641400773 /nfs/dbraw/zinc/40/07/73/641400773.db2.gz AYYUBZXEAVSHNO-NSHDSACASA-N 0 3 280.343 2.009 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])C[C@H]2C)c1[O-] ZINC000846707860 641404180 /nfs/dbraw/zinc/40/41/80/641404180.db2.gz ZRNNCBRWFJIJLB-NOZJJQNGSA-N 0 3 280.343 2.046 20 10 CECDHN CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877322714 650675378 /nfs/dbraw/zinc/67/53/78/650675378.db2.gz CCHBKYJHWDKALZ-NWDGAFQWSA-N 0 3 265.353 2.378 20 10 CECDHN C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000184862480 641914085 /nfs/dbraw/zinc/91/40/85/641914085.db2.gz ISMMNCLGXAIKJL-SNVBAGLBSA-N 0 3 288.322 2.481 20 10 CECDHN C[C@H]1CCN(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242373 641932778 /nfs/dbraw/zinc/93/27/78/641932778.db2.gz DLSXFBIJAXYXAX-JTQLQIEISA-N 0 3 282.771 2.004 20 10 CECDHN CCc1cccc(C[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000848902907 642180588 /nfs/dbraw/zinc/18/05/88/642180588.db2.gz JMLXHHWNEZRVHI-INIZCTEOSA-N 0 3 293.407 2.222 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186456390 642571369 /nfs/dbraw/zinc/57/13/69/642571369.db2.gz NRAYLTUKMVDDST-JQWIXIFHSA-N 0 3 296.342 2.413 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850367918 642684528 /nfs/dbraw/zinc/68/45/28/642684528.db2.gz RXGQFPGVCYVXFH-NSHDSACASA-N 0 3 263.337 2.202 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000850379381 642690673 /nfs/dbraw/zinc/69/06/73/642690673.db2.gz NGDWCYLAYXDALV-NWDGAFQWSA-N 0 3 265.353 2.448 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@H](O)C13CCC3)CC2 ZINC000850547837 642749727 /nfs/dbraw/zinc/74/97/27/642749727.db2.gz XIQCTVQJGCOEFW-BNOWGMLFSA-N 0 3 259.349 2.273 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c([O-])c1 ZINC000877595166 650806161 /nfs/dbraw/zinc/80/61/61/650806161.db2.gz UDUYZRYHXPZKJX-JOCQHMNTSA-N 0 3 276.380 2.082 20 10 CECDHN Cc1ccc(C[NH2+]Cc2ccc(CO)cc2)c([O-])c1 ZINC000877604016 650809661 /nfs/dbraw/zinc/80/96/61/650809661.db2.gz GVKYVYWJZAYPSX-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([O-])c1 ZINC000922516582 643100273 /nfs/dbraw/zinc/10/02/73/643100273.db2.gz PFNHICVISGTCNA-ZBFHGGJFSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000877622724 650818913 /nfs/dbraw/zinc/81/89/13/650818913.db2.gz BLZAJLILMUEGOL-VPZZIHKRSA-N 0 3 281.421 2.480 20 10 CECDHN COC(=O)NC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000852763955 643542731 /nfs/dbraw/zinc/54/27/31/643542731.db2.gz CFOIDJZDYYZLRY-UHFFFAOYSA-N 0 3 291.395 2.073 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877682241 650848030 /nfs/dbraw/zinc/84/80/30/650848030.db2.gz MPUWFGXRCFVIGM-GWIBLVFBSA-N 0 3 259.349 2.214 20 10 CECDHN CCOc1ccc(C[NH+]2CC3(C2)CCCOC3)c([O-])c1 ZINC000839138965 644171102 /nfs/dbraw/zinc/17/11/02/644171102.db2.gz RQLBMACOJFNJSI-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc(CN2CC3(C2)CCCOC3)c(O)c1 ZINC000839138965 644171105 /nfs/dbraw/zinc/17/11/05/644171105.db2.gz RQLBMACOJFNJSI-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN C[NH+](C)CCCC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000854829389 644178500 /nfs/dbraw/zinc/17/85/00/644178500.db2.gz FYJGKTXMDPFQQK-UHFFFAOYSA-N 0 3 270.398 2.304 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCS(=O)(=O)CC1 ZINC000877757965 650900218 /nfs/dbraw/zinc/90/02/18/650900218.db2.gz AXYFYPUTRJKCJI-NEPJUHHUSA-N 0 3 297.420 2.256 20 10 CECDHN C[C@@H](C1CC1)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839460624 644227284 /nfs/dbraw/zinc/22/72/84/644227284.db2.gz QGUSZMMEIOKXPU-ZDUSSCGKSA-N 0 3 289.423 2.099 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](OC)[C@@H](OC)C2)cc1 ZINC000754155589 644331667 /nfs/dbraw/zinc/33/16/67/644331667.db2.gz YFOBXEPLVXMEGY-CALCHBBNSA-N 0 3 292.423 2.378 20 10 CECDHN CCOC(=O)[C@@H](C)C1CN(Cc2cc(C)ccc2O)C1 ZINC000877829358 650924718 /nfs/dbraw/zinc/92/47/18/650924718.db2.gz RKLUIUXBPSCYND-LBPRGKRZSA-N 0 3 277.364 2.332 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000756372195 644637451 /nfs/dbraw/zinc/63/74/51/644637451.db2.gz PJHWJMILHSPFJP-BXKDBHETSA-N 0 3 292.354 2.195 20 10 CECDHN COCCN(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756528727 644658868 /nfs/dbraw/zinc/65/88/68/644658868.db2.gz OZNJGXDDDMKMQN-YPMHNXCESA-N 0 3 296.386 2.247 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2[O-] ZINC000756564910 644667779 /nfs/dbraw/zinc/66/77/79/644667779.db2.gz TZSJZCFFMCNYGZ-WCBMZHEXSA-N 0 3 253.317 2.440 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCNc2cnccn2)c([O-])c1 ZINC000756647961 644677666 /nfs/dbraw/zinc/67/76/66/644677666.db2.gz XPNKGKSHYSFMFY-LBPRGKRZSA-N 0 3 272.352 2.253 20 10 CECDHN Cc1ccc(O)c([C@H](C)NCCS(=O)(=O)CC2CC2)c1 ZINC000756763137 644690443 /nfs/dbraw/zinc/69/04/43/644690443.db2.gz UNFCDQBXJKPZOE-LBPRGKRZSA-N 0 3 297.420 2.176 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857061972 644806390 /nfs/dbraw/zinc/80/63/90/644806390.db2.gz XESQPEPROHZYGH-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857061972 644806396 /nfs/dbraw/zinc/80/63/96/644806396.db2.gz XESQPEPROHZYGH-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2OCC)c([O-])c1 ZINC000759172289 644991552 /nfs/dbraw/zinc/99/15/52/644991552.db2.gz HLMKIUAHHDRULP-GOEBONIOSA-N 0 3 295.379 2.075 20 10 CECDHN CO[C@H]1C[C@H](NCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858322046 645118197 /nfs/dbraw/zinc/11/81/97/645118197.db2.gz LVMQDZDQNRMANE-XYPYZODXSA-N 0 3 270.323 2.298 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858545807 645197404 /nfs/dbraw/zinc/19/74/04/645197404.db2.gz VHCGOZYDJTZSCO-MWGHHZFTSA-N 0 3 265.328 2.440 20 10 CECDHN CON(C)C(=O)[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000858580195 645209371 /nfs/dbraw/zinc/20/93/71/645209371.db2.gz XNBBJGTUWVJCSB-YWVKMMECSA-N 0 3 296.342 2.078 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878241492 651043525 /nfs/dbraw/zinc/04/35/25/651043525.db2.gz GLMKUGLFGKDGOX-OAHLLOKOSA-N 0 3 291.391 2.410 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CO1)CCOCC2 ZINC000878241492 651043527 /nfs/dbraw/zinc/04/35/27/651043527.db2.gz GLMKUGLFGKDGOX-OAHLLOKOSA-N 0 3 291.391 2.410 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438033 646122873 /nfs/dbraw/zinc/12/28/73/646122873.db2.gz OQQYSNPMFGOMRN-QMTHXVAHSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768438033 646122875 /nfs/dbraw/zinc/12/28/75/646122875.db2.gz OQQYSNPMFGOMRN-QMTHXVAHSA-N 0 3 263.337 2.050 20 10 CECDHN CCOc1ccc(CN2CCN(C3CCC3)CC2)c(O)c1 ZINC000769410401 646262255 /nfs/dbraw/zinc/26/22/55/646262255.db2.gz CCNOZHYXYTYSEL-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000769514546 646280081 /nfs/dbraw/zinc/28/00/81/646280081.db2.gz JDQSFATZBINQGO-FZMZJTMJSA-N 0 3 293.363 2.032 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000769514546 646280083 /nfs/dbraw/zinc/28/00/83/646280083.db2.gz JDQSFATZBINQGO-FZMZJTMJSA-N 0 3 293.363 2.032 20 10 CECDHN CCN(C)c1ccc(CN(C)CCN2CCCC2=O)cc1 ZINC000773754513 646773259 /nfs/dbraw/zinc/77/32/59/646773259.db2.gz GOADBRSMLOXCRB-UHFFFAOYSA-N 0 3 289.423 2.197 20 10 CECDHN CC[C@@H]([NH2+]CCc1nncn1CC)c1ccccc1[O-] ZINC000775522842 646962925 /nfs/dbraw/zinc/96/29/25/646962925.db2.gz BXFMHOSCYKVATD-CYBMUJFWSA-N 0 3 274.368 2.287 20 10 CECDHN CC[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC000776005847 647016283 /nfs/dbraw/zinc/01/62/83/647016283.db2.gz CZHWRYVULZXRJO-LZWOXQAQSA-N 0 3 290.407 2.296 20 10 CECDHN CCCCCCN(C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000778919597 647274465 /nfs/dbraw/zinc/27/44/65/647274465.db2.gz GNGZUNZJNPFLJU-UHFFFAOYSA-N 0 3 294.395 2.226 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1 ZINC000865712132 647435150 /nfs/dbraw/zinc/43/51/50/647435150.db2.gz XEBUDRZUSRFIDP-QPUJVOFHSA-N 0 3 293.285 2.192 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000782544699 647636229 /nfs/dbraw/zinc/63/62/29/647636229.db2.gz PELOPESCIIYASX-AWEZNQCLSA-N 0 3 287.359 2.094 20 10 CECDHN CC[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000783317506 647708312 /nfs/dbraw/zinc/70/83/12/647708312.db2.gz SXLLIYFCAQYRFV-YWVKMMECSA-N 0 3 253.317 2.440 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1[O-] ZINC000866412926 647779004 /nfs/dbraw/zinc/77/90/04/647779004.db2.gz OAEATXDGIRALNE-ZFWWWQNUSA-N 0 3 292.423 2.278 20 10 CECDHN C[C@H]([NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000866466074 647796240 /nfs/dbraw/zinc/79/62/40/647796240.db2.gz YUYLSYJPFRCTQO-DKCNOQQISA-N 0 3 263.259 2.355 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(SC)CC1 ZINC000788524863 648198352 /nfs/dbraw/zinc/19/83/52/648198352.db2.gz XAVGEBJGHOIPSI-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CCOC1 ZINC000123157271 648826438 /nfs/dbraw/zinc/82/64/38/648826438.db2.gz DRQKFDKWMQODBT-SWLSCSKDSA-N 0 3 265.353 2.157 20 10 CECDHN CCCOc1ccc(CN[C@H](C)C(=O)N(C)C)cc1C ZINC000873072717 649551472 /nfs/dbraw/zinc/55/14/72/649551472.db2.gz YWHMTDIEFMXQDR-CYBMUJFWSA-N 0 3 278.396 2.350 20 10 CECDHN CCCOc1ccc(CN[C@]2(CO)CCOC2)cc1C ZINC000873105435 649558901 /nfs/dbraw/zinc/55/89/01/649558901.db2.gz WCKRYOPIKVFBFO-INIZCTEOSA-N 0 3 279.380 2.025 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873230794 649602859 /nfs/dbraw/zinc/60/28/59/649602859.db2.gz YDPRVNWGZIYVND-ZIAGYGMSSA-N 0 3 266.772 2.420 20 10 CECDHN COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000879650564 651335838 /nfs/dbraw/zinc/33/58/38/651335838.db2.gz HLROBAHRULPZJD-JQWIXIFHSA-N 0 3 291.347 2.279 20 10 CECDHN CN(C)c1ccc(Cn2cc([C@@H](N)C(C)(C)C)nn2)cc1 ZINC000881272176 651657913 /nfs/dbraw/zinc/65/79/13/651657913.db2.gz PGHIHZJNUNZZDH-OAHLLOKOSA-N 0 3 287.411 2.438 20 10 CECDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCOC1 ZINC000883352422 652438841 /nfs/dbraw/zinc/43/88/41/652438841.db2.gz AMWLMRLRSBAQMQ-YPMHNXCESA-N 0 3 293.363 2.416 20 10 CECDHN CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000693156724 802680521 /nfs/dbraw/zinc/68/05/21/802680521.db2.gz VAVUUDFQNNLWJD-LLVKDONJSA-N 0 3 253.317 2.436 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000724872450 803327304 /nfs/dbraw/zinc/32/73/04/803327304.db2.gz LLMXUUUSYPHGON-NJZAAPMLSA-N 0 3 265.353 2.155 20 10 CECDHN CC(C)c1nc(CCN(C)Cc2cc(O)ccc2O)no1 ZINC001141156550 803758099 /nfs/dbraw/zinc/75/80/99/803758099.db2.gz MXYLZJYAPZLTSV-UHFFFAOYSA-N 0 3 291.351 2.279 20 10 CECDHN CN1CC[C@@]2(CC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459794 /nfs/dbraw/zinc/45/97/94/804459794.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@@]2(CC[N@@H+](Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001139686223 804459796 /nfs/dbraw/zinc/45/97/96/804459796.db2.gz QLGUTWLKKWQSTA-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1cc(F)ccc1[O-] ZINC000716660807 815139434 /nfs/dbraw/zinc/13/94/34/815139434.db2.gz LDDQBCWBLSIYKZ-CPCISQLKSA-N 0 3 263.259 2.198 20 10 CECDHN CC[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1[O-] ZINC000716775028 815146315 /nfs/dbraw/zinc/14/63/15/815146315.db2.gz PSNRITTVXIRHTF-JQWIXIFHSA-N 0 3 259.296 2.449 20 10 CECDHN [NH3+][C@@]12CC[C@H]1CN(Cc1c([O-])cccc1Br)C2 ZINC001235998750 807917204 /nfs/dbraw/zinc/91/72/04/807917204.db2.gz ZICVQWMUSHNBHM-TVQRCGJNSA-N 0 3 297.196 2.078 20 10 CECDHN COc1cc(C)c(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001236809700 808169676 /nfs/dbraw/zinc/16/96/76/808169676.db2.gz ZVWWIBFYNFOTAX-MFKMUULPSA-N 0 3 253.317 2.499 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237492402 808221510 /nfs/dbraw/zinc/22/15/10/808221510.db2.gz OMPCQMKXSKPMSI-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237492402 808221514 /nfs/dbraw/zinc/22/15/14/808221514.db2.gz OMPCQMKXSKPMSI-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]2SC)c([O-])c1 ZINC000701992617 809483662 /nfs/dbraw/zinc/48/36/62/809483662.db2.gz KTWPPHKEGDEXSR-YPMHNXCESA-N 0 3 253.367 2.384 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1[O-] ZINC001172164506 815326409 /nfs/dbraw/zinc/32/64/09/815326409.db2.gz BIDDXRQBMDGASI-AVGNSLFASA-N 0 3 274.364 2.196 20 10 CECDHN CN1CCCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708555268 809944989 /nfs/dbraw/zinc/94/49/89/809944989.db2.gz NKUWDLJEXUMMNO-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168977157 811306853 /nfs/dbraw/zinc/30/68/53/811306853.db2.gz IKVJRLGUQSKPPG-SRVKXCTJSA-N 0 3 264.325 2.488 20 10 CECDHN CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172744039 815500348 /nfs/dbraw/zinc/50/03/48/815500348.db2.gz MXHJPJBEFHKIEV-NSHDSACASA-N 0 3 281.352 2.308 20 10 CECDHN COC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001172777335 815518454 /nfs/dbraw/zinc/51/84/54/815518454.db2.gz PRSODUAFJGSOCW-DGCLKSJQSA-N 0 3 293.363 2.309 20 10 CECDHN CO[C@@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000388278592 813234717 /nfs/dbraw/zinc/23/47/17/813234717.db2.gz KNCIOTGZYAIBOL-OTYXRUKQSA-N 0 3 253.317 2.434 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2=CCOCC2)c1[O-] ZINC000397785267 813637316 /nfs/dbraw/zinc/63/73/16/813637316.db2.gz QDXNQFSGJLDMAM-UHFFFAOYSA-N 0 3 283.755 2.491 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC001116748881 814879533 /nfs/dbraw/zinc/87/95/33/814879533.db2.gz ZGOVNYLFVSEREP-GHMZBOCLSA-N 0 3 251.326 2.058 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@@H](O)C2)c(OC)c1 ZINC001138387997 815786553 /nfs/dbraw/zinc/78/65/53/815786553.db2.gz NZEGBWRYUQLOMG-OAHLLOKOSA-N 0 3 278.396 2.108 20 10 CECDHN O=C1CCC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC001140053777 816177814 /nfs/dbraw/zinc/17/78/14/816177814.db2.gz CWPQVARGYNSGST-INIZCTEOSA-N 0 3 292.354 2.166 20 10 CECDHN O=C1CCC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC001140053777 816177817 /nfs/dbraw/zinc/17/78/17/816177817.db2.gz CWPQVARGYNSGST-INIZCTEOSA-N 0 3 292.354 2.166 20 10 CECDHN CC(=O)N1CC[C@H]([N@@H+](Cc2cc(F)ccc2[O-])C(C)C)C1 ZINC001140059959 816180459 /nfs/dbraw/zinc/18/04/59/816180459.db2.gz CUIMJFWXTXGHGB-HNNXBMFYSA-N 0 3 294.370 2.363 20 10 CECDHN CC(=O)N1CC[C@H]([N@H+](Cc2cc(F)ccc2[O-])C(C)C)C1 ZINC001140059959 816180461 /nfs/dbraw/zinc/18/04/61/816180461.db2.gz CUIMJFWXTXGHGB-HNNXBMFYSA-N 0 3 294.370 2.363 20 10 CECDHN C[N@@H+]1CC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581108 816290408 /nfs/dbraw/zinc/29/04/08/816290408.db2.gz LWLKMBZMCWLJPP-MNOVXSKESA-N 0 3 282.334 2.054 20 10 CECDHN C[N@H+]1CC[C@@H]2CN(Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140581108 816290415 /nfs/dbraw/zinc/29/04/15/816290415.db2.gz LWLKMBZMCWLJPP-MNOVXSKESA-N 0 3 282.334 2.054 20 10 CECDHN CCN(CC)c1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001140850833 816382663 /nfs/dbraw/zinc/38/26/63/816382663.db2.gz WBJFRBGODYHHHM-UHFFFAOYSA-N 0 3 290.407 2.195 20 10 CECDHN COC(=O)[C@H]1C[C@H](C)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950929 816423650 /nfs/dbraw/zinc/42/36/50/816423650.db2.gz PMDNJVFKVGYXJV-JSGCOSHPSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1C[C@H](C)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950929 816423657 /nfs/dbraw/zinc/42/36/57/816423657.db2.gz PMDNJVFKVGYXJV-JSGCOSHPSA-N 0 3 277.364 2.332 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954073 816423906 /nfs/dbraw/zinc/42/39/06/816423906.db2.gz KQCUYPDIZXMPHZ-UKRRQHHQSA-N 0 3 288.391 2.143 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954073 816423911 /nfs/dbraw/zinc/42/39/11/816423911.db2.gz KQCUYPDIZXMPHZ-UKRRQHHQSA-N 0 3 288.391 2.143 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c(OC)c1 ZINC001141026489 816449002 /nfs/dbraw/zinc/44/90/02/816449002.db2.gz SLHJLZYDTFJLFR-HAQNSBGRSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c(OC)c1 ZINC001141026489 816449006 /nfs/dbraw/zinc/44/90/06/816449006.db2.gz SLHJLZYDTFJLFR-HAQNSBGRSA-N 0 3 295.379 2.145 20 10 CECDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)C1CC1 ZINC001141031917 816452075 /nfs/dbraw/zinc/45/20/75/816452075.db2.gz NQORZBFBOPZOBI-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C1CC1 ZINC001141031917 816452079 /nfs/dbraw/zinc/45/20/79/816452079.db2.gz NQORZBFBOPZOBI-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@H](C(F)(F)F)C2)c1 ZINC001141159798 816490800 /nfs/dbraw/zinc/49/08/00/816490800.db2.gz KLUVEYWVMZIYSD-VIFPVBQESA-N 0 3 261.243 2.482 20 10 CECDHN CN(C)C1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143103618 816786142 /nfs/dbraw/zinc/78/61/42/816786142.db2.gz HLQAECZUOYXFPE-UHFFFAOYSA-N 0 3 262.397 2.436 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1)OCO2 ZINC000284025535 344677982 /nfs/dbraw/zinc/67/79/82/344677982.db2.gz IFRGIFZBKWDIBU-TZMCWYRMSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)OCO2 ZINC000284025535 344677983 /nfs/dbraw/zinc/67/79/83/344677983.db2.gz IFRGIFZBKWDIBU-TZMCWYRMSA-N 0 3 291.347 2.264 20 10 CECDHN CN(C)c1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1 ZINC000237084600 370688928 /nfs/dbraw/zinc/68/89/28/370688928.db2.gz HABBEUDMPORGCH-QGZVFWFLSA-N 0 3 297.402 2.111 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c([O-])c1 ZINC000020120755 361581787 /nfs/dbraw/zinc/58/17/87/361581787.db2.gz FKYJOJANCMMKQG-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)CN1CCOCC1 ZINC000091587909 364070837 /nfs/dbraw/zinc/07/08/37/364070837.db2.gz FYENVMHZJFSOBO-OAHLLOKOSA-N 0 3 292.423 2.325 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)CN1CCOCC1 ZINC000091587909 364070844 /nfs/dbraw/zinc/07/08/44/364070844.db2.gz FYENVMHZJFSOBO-OAHLLOKOSA-N 0 3 292.423 2.325 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)CN1CCOCC1 ZINC000091587908 364071011 /nfs/dbraw/zinc/07/10/11/364071011.db2.gz FYENVMHZJFSOBO-HNNXBMFYSA-N 0 3 292.423 2.325 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CN1CCOCC1 ZINC000091587908 364071015 /nfs/dbraw/zinc/07/10/15/364071015.db2.gz FYENVMHZJFSOBO-HNNXBMFYSA-N 0 3 292.423 2.325 20 10 CECDHN CCOc1cccc(CNCc2c(C)nn(C)c2C)c1O ZINC000112018087 364769133 /nfs/dbraw/zinc/76/91/33/364769133.db2.gz QZGYUJXQUIVNGD-UHFFFAOYSA-N 0 3 289.379 2.431 20 10 CECDHN Cc1ccc(O)c(CN[C@@H](C)C(=O)NCc2ccco2)c1 ZINC000113341285 364889200 /nfs/dbraw/zinc/88/92/00/364889200.db2.gz LEVFDJPQERZJPR-LBPRGKRZSA-N 0 3 288.347 2.088 20 10 CECDHN CC1CCN(c2ccc(CNC(=O)C3(N)CC3)cc2)CC1 ZINC000167858314 367343722 /nfs/dbraw/zinc/34/37/22/367343722.db2.gz QBZGQYWVWOPMDB-UHFFFAOYSA-N 0 3 287.407 2.030 20 10 CECDHN Cc1cccc(CN2CCCN(C(=O)C(C)C)CC2)c1O ZINC000179796491 368351538 /nfs/dbraw/zinc/35/15/38/368351538.db2.gz OZLBEIYORLOVFX-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000187091505 369099522 /nfs/dbraw/zinc/09/95/22/369099522.db2.gz KEDIIYMBFGKJIV-GFCCVEGCSA-N 0 3 292.379 2.092 20 10 CECDHN CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000187091505 369099527 /nfs/dbraw/zinc/09/95/27/369099527.db2.gz KEDIIYMBFGKJIV-GFCCVEGCSA-N 0 3 292.379 2.092 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189958890 369583552 /nfs/dbraw/zinc/58/35/52/369583552.db2.gz RBFISSNDQXNUTJ-SWLSCSKDSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000190217173 369605287 /nfs/dbraw/zinc/60/52/87/369605287.db2.gz WXWXYZWBWQMLIO-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000190217173 369605290 /nfs/dbraw/zinc/60/52/90/369605290.db2.gz WXWXYZWBWQMLIO-INIZCTEOSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCOCC(F)F)c1 ZINC000190896901 369658920 /nfs/dbraw/zinc/65/89/20/369658920.db2.gz WOZXNQIVMGWKMZ-UHFFFAOYSA-N 0 3 275.295 2.162 20 10 CECDHN CCCN(CC)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226613974 370349001 /nfs/dbraw/zinc/34/90/01/370349001.db2.gz RRUCBQMFQRTODX-UHFFFAOYSA-N 0 3 254.349 2.353 20 10 CECDHN COC[C@@H](C[NH2+][C@H](C)c1cc(C)ccc1[O-])OC ZINC000230672153 370462545 /nfs/dbraw/zinc/46/25/45/370462545.db2.gz JXJSSYPIJARHBM-VXGBXAGGSA-N 0 3 253.342 2.013 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000268709157 372188579 /nfs/dbraw/zinc/18/85/79/372188579.db2.gz FUEDKQBBZUJGPD-DOMZBBRYSA-N 0 3 277.412 2.318 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000268709158 372189328 /nfs/dbraw/zinc/18/93/28/372189328.db2.gz FUEDKQBBZUJGPD-IUODEOHRSA-N 0 3 277.412 2.318 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000269351182 372426255 /nfs/dbraw/zinc/42/62/55/372426255.db2.gz KKQWSBWPXSEIHE-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000269351182 372426262 /nfs/dbraw/zinc/42/62/62/372426262.db2.gz KKQWSBWPXSEIHE-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN Cc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000271778725 373201309 /nfs/dbraw/zinc/20/13/09/373201309.db2.gz DDNCILACGNWPHC-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1ccccc1[O-] ZINC000368602871 373249078 /nfs/dbraw/zinc/24/90/78/373249078.db2.gz LIRYWQHBBSHGFY-HEHGZKQESA-N 0 3 277.364 2.381 20 10 CECDHN CCOCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000272360898 373448086 /nfs/dbraw/zinc/44/80/86/373448086.db2.gz NCZNXQAEJFMTDT-UHFFFAOYSA-N 0 3 254.349 2.360 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c([O-])c1C ZINC000273549023 373762465 /nfs/dbraw/zinc/76/24/65/373762465.db2.gz FOFRBQRRQREMBV-WCQYABFASA-N 0 3 274.368 2.340 20 10 CECDHN CCS(=O)(=O)CCN[C@H](C)c1ccc(C)c(C)c1O ZINC000273563862 373764692 /nfs/dbraw/zinc/76/46/92/373764692.db2.gz IYBFXULVKCSSMX-GFCCVEGCSA-N 0 3 285.409 2.094 20 10 CECDHN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(F)ccc1[O-] ZINC000273553337 373764822 /nfs/dbraw/zinc/76/48/22/373764822.db2.gz GJCUMRVQNLDEJK-SNVBAGLBSA-N 0 3 280.343 2.228 20 10 CECDHN CNC(=O)CCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273557639 373765341 /nfs/dbraw/zinc/76/53/41/373765341.db2.gz HCDOTNIVUMUEPH-GFCCVEGCSA-N 0 3 290.407 2.448 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000273604685 373767088 /nfs/dbraw/zinc/76/70/88/373767088.db2.gz SVOUTIAQPNFXPD-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000283963453 375787700 /nfs/dbraw/zinc/78/77/00/375787700.db2.gz FBXJAAGVYPNIAF-OCCSQVGLSA-N 0 3 297.420 2.258 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1OC ZINC000289236823 376389640 /nfs/dbraw/zinc/38/96/40/376389640.db2.gz DJZGRXNPDOVMEI-RYUDHWBXSA-N 0 3 295.379 2.172 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000293651304 377678725 /nfs/dbraw/zinc/67/87/25/377678725.db2.gz LHVCMJMHDKWDNB-NEPJUHHUSA-N 0 3 294.395 2.027 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](SC)C2)c1[O-] ZINC000294910381 378028216 /nfs/dbraw/zinc/02/82/16/378028216.db2.gz ACMPLAWSZKSXKG-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](SC)C2)c1[O-] ZINC000294910381 378028221 /nfs/dbraw/zinc/02/82/21/378028221.db2.gz ACMPLAWSZKSXKG-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295091209 378040292 /nfs/dbraw/zinc/04/02/92/378040292.db2.gz RQJQQUAQBGRZRX-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN CS[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295086259 378040321 /nfs/dbraw/zinc/04/03/21/378040321.db2.gz QZOVSRIRRKULCW-JTQLQIEISA-N 0 3 267.350 2.058 20 10 CECDHN CS[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000295086259 378040323 /nfs/dbraw/zinc/04/03/23/378040323.db2.gz QZOVSRIRRKULCW-JTQLQIEISA-N 0 3 267.350 2.058 20 10 CECDHN CC[C@H](CO)[N@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000295137026 378044675 /nfs/dbraw/zinc/04/46/75/378044675.db2.gz PHDKBPUSRPAZCP-LLVKDONJSA-N 0 3 273.760 2.257 20 10 CECDHN CC[C@H](CO)[N@@H+](C)Cc1cc(Cl)cc(OC)c1[O-] ZINC000295137026 378044678 /nfs/dbraw/zinc/04/46/78/378044678.db2.gz PHDKBPUSRPAZCP-LLVKDONJSA-N 0 3 273.760 2.257 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCn1cccn1)CC2 ZINC000296064216 378407283 /nfs/dbraw/zinc/40/72/83/378407283.db2.gz RVFVPYASRHQQBC-CYBMUJFWSA-N 0 3 257.337 2.256 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296452221 378537479 /nfs/dbraw/zinc/53/74/79/378537479.db2.gz NJGLFBJBPCLUBU-ZDUSSCGKSA-N 0 3 288.391 2.276 20 10 CECDHN NC(=O)c1cccc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)c1 ZINC000296847786 378654788 /nfs/dbraw/zinc/65/47/88/378654788.db2.gz NBZQOARVIHZRSP-OAHLLOKOSA-N 0 3 296.370 2.311 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185009021 262037752 /nfs/dbraw/zinc/03/77/52/262037752.db2.gz WWUSOPNHQVWSOJ-GFCCVEGCSA-N 0 3 284.375 2.150 20 10 CECDHN COCCCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000227442491 394472604 /nfs/dbraw/zinc/47/26/04/394472604.db2.gz OWHWMDUQYAYABW-UHFFFAOYSA-N 0 3 253.342 2.307 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093644613 394668449 /nfs/dbraw/zinc/66/84/49/394668449.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093644613 394668452 /nfs/dbraw/zinc/66/84/52/394668452.db2.gz OMZBXQHDPSCQRE-TZMCWYRMSA-N 0 3 278.396 2.315 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C(C)C)cc1 ZINC000269261908 394716659 /nfs/dbraw/zinc/71/66/59/394716659.db2.gz WJZGMCDUYQKUNI-OAHLLOKOSA-N 0 3 277.412 2.132 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000120159641 394776329 /nfs/dbraw/zinc/77/63/29/394776329.db2.gz MYTUKSVJHJJVMW-AWEZNQCLSA-N 0 3 251.326 2.060 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000360675829 394805587 /nfs/dbraw/zinc/80/55/87/394805587.db2.gz XZLIZXLUKFBKIS-SWHYSGLUSA-N 0 3 292.354 2.150 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cc(F)ccc1[O-] ZINC000360675829 394805590 /nfs/dbraw/zinc/80/55/90/394805590.db2.gz XZLIZXLUKFBKIS-SWHYSGLUSA-N 0 3 292.354 2.150 20 10 CECDHN C[NH+](C)C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000271165238 394750228 /nfs/dbraw/zinc/75/02/28/394750228.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271165238 394750230 /nfs/dbraw/zinc/75/02/30/394750230.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000271165238 394750232 /nfs/dbraw/zinc/75/02/32/394750232.db2.gz HEZIVFRBENUBJJ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1CSCCS1)OCO2 ZINC000125227857 394842150 /nfs/dbraw/zinc/84/21/50/394842150.db2.gz BQALFBQRSMMLBP-SNVBAGLBSA-N 0 3 299.417 2.059 20 10 CECDHN COc1cccc(CN(C)C[C@H]2CCCO2)c1O ZINC000132961331 394941043 /nfs/dbraw/zinc/94/10/43/394941043.db2.gz NMSFPVYVMKFXIU-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727780 394967958 /nfs/dbraw/zinc/96/79/58/394967958.db2.gz YUPUEWMBZUFQRZ-MNOVXSKESA-N 0 3 294.395 2.355 20 10 CECDHN CN(C)c1ccc(C2=CCN(CC(C)(C)O)C2)cc1 ZINC000372800776 395047367 /nfs/dbraw/zinc/04/73/67/395047367.db2.gz JRYUZGVABMOKDI-UHFFFAOYSA-N 0 3 260.381 2.223 20 10 CECDHN CC[C@@H]1CN(Cc2cc(C)ccc2O)C[C@]2(CCOC2)O1 ZINC000373498661 395061966 /nfs/dbraw/zinc/06/19/66/395061966.db2.gz ZYPMJJNGZUFKNJ-WBVHZDCISA-N 0 3 291.391 2.471 20 10 CECDHN COc1cccc(C[NH2+]C2(C3CC3)CCOCC2)c1[O-] ZINC000372084379 395034500 /nfs/dbraw/zinc/03/45/00/395034500.db2.gz UEJJXWWYKXKGEM-UHFFFAOYSA-N 0 3 277.364 2.450 20 10 CECDHN CC(C)(C)OC(=O)CCNCc1ccc2c(c1)CCO2 ZINC000174431307 395123960 /nfs/dbraw/zinc/12/39/60/395123960.db2.gz GBFPGULIIVQWDY-UHFFFAOYSA-N 0 3 277.364 2.443 20 10 CECDHN CC[C@H](N[C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874405 395158694 /nfs/dbraw/zinc/15/86/94/395158694.db2.gz XQXTVNCGSRXIQD-JKSUJKDBSA-N 0 3 289.423 2.462 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(OC)c(OC)cc1[O-])C(C)(C)O ZINC000293731411 395249299 /nfs/dbraw/zinc/24/92/99/395249299.db2.gz UWGRYJPWUFKTQL-CQSZACIVSA-N 0 3 283.368 2.049 20 10 CECDHN O=C1CCCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179581485 395196567 /nfs/dbraw/zinc/19/65/67/395196567.db2.gz HIJMEQKQFPPKLJ-UHFFFAOYSA-N 0 3 288.391 2.369 20 10 CECDHN C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000189912479 395333363 /nfs/dbraw/zinc/33/33/63/395333363.db2.gz VVNHOSCDHRQQRX-SNVBAGLBSA-N 0 3 281.377 2.448 20 10 CECDHN C[C@@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000189912479 395333369 /nfs/dbraw/zinc/33/33/69/395333369.db2.gz VVNHOSCDHRQQRX-SNVBAGLBSA-N 0 3 281.377 2.448 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1cc(F)ccc1[O-] ZINC000367177468 227053126 /nfs/dbraw/zinc/05/31/26/227053126.db2.gz ALOXNNZVIFVWAT-LEWSCRJBSA-N 0 3 292.354 2.335 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000155575407 261103789 /nfs/dbraw/zinc/10/37/89/261103789.db2.gz BDQHQHNQOLVWLL-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000155575407 261103790 /nfs/dbraw/zinc/10/37/90/261103790.db2.gz BDQHQHNQOLVWLL-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1[O-] ZINC000155587052 261103906 /nfs/dbraw/zinc/10/39/06/261103906.db2.gz VHMMPXHOLIFALG-OCCSQVGLSA-N 0 3 286.379 2.348 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000185169580 262044498 /nfs/dbraw/zinc/04/44/98/262044498.db2.gz QNWNVKQQBOGDOZ-UKRRQHHQSA-N 0 3 265.353 2.184 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185317423 262050907 /nfs/dbraw/zinc/05/09/07/262050907.db2.gz MEVRBKFAIOPGEU-AAEUAGOBSA-N 0 3 286.379 2.266 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185317980 262051143 /nfs/dbraw/zinc/05/11/43/262051143.db2.gz PXPFIGTYLHINSK-WCQYABFASA-N 0 3 286.379 2.266 20 10 CECDHN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(F)ccc1[O-] ZINC000185450210 262054858 /nfs/dbraw/zinc/05/48/58/262054858.db2.gz USKIPUSIAARWNK-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C)OCCO2)c1 ZINC000186211611 262084745 /nfs/dbraw/zinc/08/47/45/262084745.db2.gz VBPGXQUBBNSSSB-NSHDSACASA-N 0 3 251.326 2.114 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000186520270 262096116 /nfs/dbraw/zinc/09/61/16/262096116.db2.gz YTLTYINZTHCIDD-RUULKOMLSA-N 0 3 265.353 2.379 20 10 CECDHN CC(C)(C)[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000186982942 262119962 /nfs/dbraw/zinc/11/99/62/262119962.db2.gz MDOHMCYEQMYURK-UHFFFAOYSA-N 0 3 292.379 2.091 20 10 CECDHN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599285 263117625 /nfs/dbraw/zinc/11/76/25/263117625.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 0 3 266.360 2.303 20 10 CECDHN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599285 263117626 /nfs/dbraw/zinc/11/76/26/263117626.db2.gz VUXCMXPXPHQSAF-SMDDNHRTSA-N 0 3 266.360 2.303 20 10 CECDHN CCCC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000367529033 267097518 /nfs/dbraw/zinc/09/75/18/267097518.db2.gz LVXNAOUVMXJKFZ-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN CCCC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000367529033 267097521 /nfs/dbraw/zinc/09/75/21/267097521.db2.gz LVXNAOUVMXJKFZ-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC12CCC2 ZINC000369649300 267257344 /nfs/dbraw/zinc/25/73/44/267257344.db2.gz QDIUQEOVSSDNEL-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC12CCC2 ZINC000369649300 267257347 /nfs/dbraw/zinc/25/73/47/267257347.db2.gz QDIUQEOVSSDNEL-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@@H](CO)C2)c1 ZINC000377244548 268058952 /nfs/dbraw/zinc/05/89/52/268058952.db2.gz XPUHFQQVWREPFF-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@@H](CO)C2)c1 ZINC000377244548 268058955 /nfs/dbraw/zinc/05/89/55/268058955.db2.gz XPUHFQQVWREPFF-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296401107 275763489 /nfs/dbraw/zinc/76/34/89/275763489.db2.gz KIDZLIZYCMALMO-DZGCQCFKSA-N 0 3 288.391 2.228 20 10 CECDHN CCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296095318 276174739 /nfs/dbraw/zinc/17/47/39/276174739.db2.gz UBHLPRDTZSMVCI-ZIAGYGMSSA-N 0 3 260.381 2.453 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1[O-] ZINC000272625510 281216955 /nfs/dbraw/zinc/21/69/55/281216955.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1[O-] ZINC000272625510 281216957 /nfs/dbraw/zinc/21/69/57/281216957.db2.gz MKGITCYIMNWNSH-DZGCQCFKSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282342583 301654773 /nfs/dbraw/zinc/65/47/73/301654773.db2.gz OWMNLPZJLSXVMZ-BBATYDOGSA-N 0 3 267.394 2.262 20 10 CECDHN CC(C)N1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000272910651 328201614 /nfs/dbraw/zinc/20/16/14/328201614.db2.gz WNMXMAYFZNAJBN-NEPJUHHUSA-N 0 3 262.353 2.052 20 10 CECDHN O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1[O-])N1CCCC1 ZINC000378379248 329047971 /nfs/dbraw/zinc/04/79/71/329047971.db2.gz SDIWKLRNQNTAGX-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN O=C([C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-])N1CCCC1 ZINC000378379248 329047973 /nfs/dbraw/zinc/04/79/73/329047973.db2.gz SDIWKLRNQNTAGX-HNNXBMFYSA-N 0 3 288.391 2.369 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000378459978 329051603 /nfs/dbraw/zinc/05/16/03/329051603.db2.gz UZWFNWGBVYKCEK-GDBMZVCRSA-N 0 3 277.364 2.128 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000179397101 329205222 /nfs/dbraw/zinc/20/52/22/329205222.db2.gz DUEHJDLVQJNNFC-OAHLLOKOSA-N 0 3 290.407 2.134 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000527790171 330283461 /nfs/dbraw/zinc/28/34/61/330283461.db2.gz SJTRUKOQWWXGLE-UHFFFAOYSA-N 0 3 263.337 2.060 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCCCCCO)c1 ZINC000083396292 330357768 /nfs/dbraw/zinc/35/77/68/330357768.db2.gz ANOXLMIUBFVKTH-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN COc1cccc(C[NH2+]CC[C@@H]2CCCCO2)c1[O-] ZINC000227338492 333281026 /nfs/dbraw/zinc/28/10/26/333281026.db2.gz ULYPZPNUCHGPRC-ZDUSSCGKSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cccc(C[NH2+][C@H](CCO)C(C)(C)C)c1[O-] ZINC000231074206 333324041 /nfs/dbraw/zinc/32/40/41/333324041.db2.gz NQNGIFHXDSJAFX-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252811656 334394265 /nfs/dbraw/zinc/39/42/65/334394265.db2.gz OTCLOTOGXUKXHS-IJLUTSLNSA-N 0 3 265.353 2.355 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](CC)OC)c1 ZINC000289696046 521151153 /nfs/dbraw/zinc/15/11/53/521151153.db2.gz DKHLURQDLYGJMQ-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN CCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000054109855 520241604 /nfs/dbraw/zinc/24/16/04/520241604.db2.gz OHCHOCFBTHFSLC-LLVKDONJSA-N 0 3 252.358 2.003 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@@H](C)O)cc1F ZINC000130710710 520891725 /nfs/dbraw/zinc/89/17/25/520891725.db2.gz HXXMAWMANFQUKX-GFCCVEGCSA-N 0 3 268.376 2.485 20 10 CECDHN CCCN(CC(=O)NCC1CC1)Cc1ccccc1O ZINC000299593440 521549177 /nfs/dbraw/zinc/54/91/77/521549177.db2.gz FFIHTFWIBYUWHC-UHFFFAOYSA-N 0 3 276.380 2.130 20 10 CECDHN CCC[N@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000068973658 521660822 /nfs/dbraw/zinc/66/08/22/521660822.db2.gz UEXHYPQSGDQMDZ-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN CCC[N@@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000068973658 521660824 /nfs/dbraw/zinc/66/08/24/521660824.db2.gz UEXHYPQSGDQMDZ-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)C1CCN(C)CC1 ZINC000269189158 521687055 /nfs/dbraw/zinc/68/70/55/521687055.db2.gz WHGDVTFADQSKJX-UHFFFAOYSA-N 0 3 290.407 2.473 20 10 CECDHN CN(C)c1ccc(C2=CCN(CCC3OCCO3)C2)cc1 ZINC000364922768 522155564 /nfs/dbraw/zinc/15/55/64/522155564.db2.gz YCEZYZLMYQYPRD-UHFFFAOYSA-N 0 3 288.391 2.215 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCCO1 ZINC000278659755 522766580 /nfs/dbraw/zinc/76/65/80/522766580.db2.gz FHZYLGQBHUXCRL-OSAQELSMSA-N 0 3 265.353 2.237 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000280840058 522771229 /nfs/dbraw/zinc/77/12/29/522771229.db2.gz KPAAOEQKQTXATD-UHFFFAOYSA-N 0 3 281.352 2.080 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccc(C)cc1[O-] ZINC000280269070 522850285 /nfs/dbraw/zinc/85/02/85/522850285.db2.gz XSTPRBNEUPVDIO-GXTWGEPZSA-N 0 3 267.369 2.403 20 10 CECDHN CC[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245548 522922951 /nfs/dbraw/zinc/92/29/51/522922951.db2.gz WGHBTXGVDRNHLL-CABCVRRESA-N 0 3 289.379 2.208 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])c(=O)n1C ZINC000279442260 524592765 /nfs/dbraw/zinc/59/27/65/524592765.db2.gz HOCHFEWXWXBZDA-LBPRGKRZSA-N 0 3 272.348 2.250 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941812 524772781 /nfs/dbraw/zinc/77/27/81/524772781.db2.gz ANWWKFZPSRKPCU-QWRGUYRKSA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccncc1CNCc1cccc(C)c1O ZINC000293796881 524857466 /nfs/dbraw/zinc/85/74/66/524857466.db2.gz CYLHHWVSNWWLHP-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617553 524952514 /nfs/dbraw/zinc/95/25/14/524952514.db2.gz OTZZSGFVYDPKCF-QWRGUYRKSA-N 0 3 263.316 2.467 20 10 CECDHN Cc1ccc(O)c(CN2CCC(F)(F)[C@H](CO)C2)c1 ZINC000291028391 525340347 /nfs/dbraw/zinc/34/03/47/525340347.db2.gz BBDTXAPKIAGHQU-LBPRGKRZSA-N 0 3 271.307 2.150 20 10 CECDHN C[C@H]([NH2+]CCCn1ccnc1)c1cc(F)ccc1[O-] ZINC000094617043 525346645 /nfs/dbraw/zinc/34/66/45/525346645.db2.gz CPTKVGSUKHZLMC-NSHDSACASA-N 0 3 263.316 2.469 20 10 CECDHN COc1cccc(CN2CCN(C3CCC3)CC2)c1O ZINC000271189085 525945847 /nfs/dbraw/zinc/94/58/47/525945847.db2.gz ONIYSLSUAJVVMY-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN COc1cccc(C[NH2+]C[C@]2(O)CCCC2(C)C)c1[O-] ZINC000292908972 526024320 /nfs/dbraw/zinc/02/43/20/526024320.db2.gz HFWUCIPNLNMQLK-MRXNPFEDSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@H](C(=O)NCc1ccccc1O)N1[C@H](C)CC[C@H]1C ZINC000263696155 526087553 /nfs/dbraw/zinc/08/75/53/526087553.db2.gz NLOMJAQNUFAERQ-JHJVBQTASA-N 0 3 276.380 2.270 20 10 CECDHN O=C(NCCC[NH+]1CCCCCC1)c1cc([O-])cs1 ZINC000732265005 574616483 /nfs/dbraw/zinc/61/64/83/574616483.db2.gz MFMDQCBMCFEOGN-UHFFFAOYSA-N 0 3 282.409 2.450 20 10 CECDHN CCN(CC)c1ccc(CNC[C@@](C)(O)COC)cc1F ZINC000740007028 574938809 /nfs/dbraw/zinc/93/88/09/574938809.db2.gz RFQMMBVLJSLFTI-MRXNPFEDSA-N 0 3 298.402 2.159 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](O)c2ccco2)c([O-])c1 ZINC000747098920 575167199 /nfs/dbraw/zinc/16/71/99/575167199.db2.gz HLYHHLHHFPDFDK-CQSZACIVSA-N 0 3 277.320 2.207 20 10 CECDHN CCCN(CC(=O)NCC(C)C)Cc1ccccc1O ZINC000750875181 575277536 /nfs/dbraw/zinc/27/75/36/575277536.db2.gz OMHHJTDIZBZNGY-UHFFFAOYSA-N 0 3 278.396 2.376 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000187675505 622557586 /nfs/dbraw/zinc/55/75/86/622557586.db2.gz PGSBXIFBABFXDX-VXGBXAGGSA-N 0 3 285.771 2.447 20 10 CECDHN CC(C)NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891402551 623596770 /nfs/dbraw/zinc/59/67/70/623596770.db2.gz ZZCMBZVGHQHLON-HNNXBMFYSA-N 0 3 292.427 2.063 20 10 CECDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C[C@H]1CCOC1 ZINC000891659229 623871747 /nfs/dbraw/zinc/87/17/47/623871747.db2.gz GUHMLLVKZOBBLX-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C[C@H]1CCOC1 ZINC000891659229 623871753 /nfs/dbraw/zinc/87/17/53/623871753.db2.gz GUHMLLVKZOBBLX-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN COc1ccc(CN2CCCOC[C@@H]2C)c(O)c1OC ZINC000892077829 624302148 /nfs/dbraw/zinc/30/21/48/624302148.db2.gz ZPIIAUJDWOYNBJ-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCOC2)c([O-])c1 ZINC000725847154 625776215 /nfs/dbraw/zinc/77/62/15/625776215.db2.gz DHLPNJHBPUCEOP-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN CN(CC(=O)N(C)Cc1ccccc1O)CC(C)(C)C ZINC000820879000 634559928 /nfs/dbraw/zinc/55/99/28/634559928.db2.gz NCHMWSFSFPWQKI-UHFFFAOYSA-N 0 3 278.396 2.329 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000311210131 628450793 /nfs/dbraw/zinc/45/07/93/628450793.db2.gz KZKNJEBSCHJXAB-ZWNOBZJWSA-N 0 3 266.772 2.229 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2cn(C)cn2)c1[O-] ZINC000313256953 628585812 /nfs/dbraw/zinc/58/58/12/628585812.db2.gz ACVWSPVCLVTGCW-UHFFFAOYSA-N 0 3 295.770 2.120 20 10 CECDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1[O-] ZINC000902476891 634667105 /nfs/dbraw/zinc/66/71/05/634667105.db2.gz RKVCOPRSLPMYJL-HMHPOGMRSA-N 0 3 250.317 2.075 20 10 CECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(C)C)N(C)C)c1 ZINC000106917592 628856364 /nfs/dbraw/zinc/85/63/64/628856364.db2.gz UBQCQLYNWOCAHQ-XHDPSFHLSA-N 0 3 294.395 2.164 20 10 CECDHN COc1ccc(CNCc2cc(C)cc(OC)c2O)cn1 ZINC000894165518 629179065 /nfs/dbraw/zinc/17/90/65/629179065.db2.gz MFKGGRYHXSYYJU-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN CCn1cc(CNCc2cc(C)cc(OC)c2O)cn1 ZINC000894283018 629303494 /nfs/dbraw/zinc/30/34/94/629303494.db2.gz GTAFZYVDIGJUIZ-UHFFFAOYSA-N 0 3 275.352 2.215 20 10 CECDHN COc1cc(C)cc(CN2CC3(C2)CCCOC3)c1O ZINC000894975662 629777089 /nfs/dbraw/zinc/77/70/89/629777089.db2.gz DISPBEPZXPYNLP-UHFFFAOYSA-N 0 3 277.364 2.322 20 10 CECDHN CO[C@]12CCC[C@@]1([NH2+]Cc1cc(F)ccc1[O-])CCO2 ZINC000896411551 630557500 /nfs/dbraw/zinc/55/75/00/630557500.db2.gz IELVGMCZAPOIQR-CABCVRRESA-N 0 3 281.327 2.307 20 10 CECDHN CCC[N@H+](Cc1ccc(N)nn1)Cc1ccccc1[O-] ZINC000904316666 635563171 /nfs/dbraw/zinc/56/31/71/635563171.db2.gz PGHCLKQIBKANRA-UHFFFAOYSA-N 0 3 272.352 2.177 20 10 CECDHN CCC[N@@H+](Cc1ccc(N)nn1)Cc1ccccc1[O-] ZINC000904316666 635563173 /nfs/dbraw/zinc/56/31/73/635563173.db2.gz PGHCLKQIBKANRA-UHFFFAOYSA-N 0 3 272.352 2.177 20 10 CECDHN CCCN(Cc1ccc(N)nn1)Cc1ccccc1O ZINC000904316666 635563180 /nfs/dbraw/zinc/56/31/80/635563180.db2.gz PGHCLKQIBKANRA-UHFFFAOYSA-N 0 3 272.352 2.177 20 10 CECDHN CCC1(CC)CNC(=O)[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000897344480 631150239 /nfs/dbraw/zinc/15/02/39/631150239.db2.gz CYUCXCJHSHQMEL-HNNXBMFYSA-N 0 3 288.391 2.016 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897511724 631603027 /nfs/dbraw/zinc/60/30/27/631603027.db2.gz PCICEUHYYRPTOQ-WFASDCNBSA-N 0 3 277.364 2.448 20 10 CECDHN CCN(CCC[NH+]1CCCC1)C(=O)c1cc([O-])cs1 ZINC000807368481 631834862 /nfs/dbraw/zinc/83/48/62/631834862.db2.gz HEBIGWGGKHWIPD-UHFFFAOYSA-N 0 3 282.409 2.402 20 10 CECDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000807748238 631867330 /nfs/dbraw/zinc/86/73/30/631867330.db2.gz QVMUVHSEIMDJDE-JTQLQIEISA-N 0 3 268.382 2.058 20 10 CECDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1cc([O-])cs1 ZINC000807748238 631867335 /nfs/dbraw/zinc/86/73/35/631867335.db2.gz QVMUVHSEIMDJDE-JTQLQIEISA-N 0 3 268.382 2.058 20 10 CECDHN CCOc1ccc(O)c(CNCc2cnn(CCF)c2)c1 ZINC000897738182 631908825 /nfs/dbraw/zinc/90/88/25/631908825.db2.gz ZHXVXNZSUAGTCJ-UHFFFAOYSA-N 0 3 293.342 2.247 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000808714089 632004264 /nfs/dbraw/zinc/00/42/64/632004264.db2.gz SGCRWDSSIXZERA-NSHDSACASA-N 0 3 287.787 2.404 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000811518134 632394757 /nfs/dbraw/zinc/39/47/57/632394757.db2.gz HNPHALSOLYVZGV-ZDUSSCGKSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000811518134 632394759 /nfs/dbraw/zinc/39/47/59/632394759.db2.gz HNPHALSOLYVZGV-ZDUSSCGKSA-N 0 3 287.363 2.353 20 10 CECDHN COC(=O)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(C)C ZINC000813332186 632670933 /nfs/dbraw/zinc/67/09/33/632670933.db2.gz QOMNHCJOFGKYEA-LBPRGKRZSA-N 0 3 283.343 2.456 20 10 CECDHN Cc1cc(CN2CCCC[C@@]2(C)C(N)=O)ccc1N(C)C ZINC000815092586 632957552 /nfs/dbraw/zinc/95/75/52/632957552.db2.gz LRCNDCBMSLWCJE-KRWDZBQOSA-N 0 3 289.423 2.291 20 10 CECDHN C[C@H](NCc1ccc2c(c1)CCO2)c1cnccc1N ZINC000817902839 633764002 /nfs/dbraw/zinc/76/40/02/633764002.db2.gz ZDFQMUQPOCPGFO-NSHDSACASA-N 0 3 269.348 2.280 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CN)CC(C)C)c1 ZINC000817959802 633800786 /nfs/dbraw/zinc/80/07/86/633800786.db2.gz VGBJZVWMZMMJDC-YPMHNXCESA-N 0 3 294.395 2.203 20 10 CECDHN C[C@@H](N)C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973280 633817324 /nfs/dbraw/zinc/81/73/24/633817324.db2.gz SJJDJLWSRVZRRS-HTQZYQBOSA-N 0 3 262.275 2.409 20 10 CECDHN COc1ccc(N2CCN(C[C@@H](OC)C3CC3)CC2)cc1 ZINC000822570000 634944595 /nfs/dbraw/zinc/94/45/95/634944595.db2.gz DGVVEHOVXBFCSS-QGZVFWFLSA-N 0 3 290.407 2.242 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846453 635510484 /nfs/dbraw/zinc/51/04/84/635510484.db2.gz SHFFLVDDQXTLDH-RHSMWYFYSA-N 0 3 291.391 2.288 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124197 635573359 /nfs/dbraw/zinc/57/33/59/635573359.db2.gz JXXKDRHSMKKKFK-PRHODGIISA-N 0 3 293.260 2.276 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124197 635573362 /nfs/dbraw/zinc/57/33/62/635573362.db2.gz JXXKDRHSMKKKFK-PRHODGIISA-N 0 3 293.260 2.276 20 10 CECDHN CC(C)[N@@H+]1CC[C@@H](N(C)Cc2cccc(F)c2[O-])C1 ZINC000825337668 635619826 /nfs/dbraw/zinc/61/98/26/635619826.db2.gz HXQNXKDIRBYTPB-CYBMUJFWSA-N 0 3 266.360 2.446 20 10 CECDHN CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc(F)c2[O-])C1 ZINC000825337668 635619831 /nfs/dbraw/zinc/61/98/31/635619831.db2.gz HXQNXKDIRBYTPB-CYBMUJFWSA-N 0 3 266.360 2.446 20 10 CECDHN CN(C)c1ccc(/C=C/CN(C)C[C@@H]2COCCO2)cc1 ZINC000827140354 636232796 /nfs/dbraw/zinc/23/27/96/636232796.db2.gz KWLSCFYHBPSQJJ-LAQIPUCWSA-N 0 3 290.407 2.113 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000827242937 636265640 /nfs/dbraw/zinc/26/56/40/636265640.db2.gz DUXQKLCCEIOGEZ-OLZOCXBDSA-N 0 3 287.281 2.435 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC000827340953 636299675 /nfs/dbraw/zinc/29/96/75/636299675.db2.gz MWUCZEDBKJHHJV-MRXNPFEDSA-N 0 3 289.423 2.276 20 10 CECDHN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827687615 636391500 /nfs/dbraw/zinc/39/15/00/636391500.db2.gz RKEIMURZKRFTHG-LBPRGKRZSA-N 0 3 294.370 2.268 20 10 CECDHN CC(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827687615 636391504 /nfs/dbraw/zinc/39/15/04/636391504.db2.gz RKEIMURZKRFTHG-LBPRGKRZSA-N 0 3 294.370 2.268 20 10 CECDHN CCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876559634 650327286 /nfs/dbraw/zinc/32/72/86/650327286.db2.gz CEYOHDCCPQPRCX-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN CN(Cc1cnc2c(cnn2C)c1)Cc1ccccc1O ZINC000876616068 650360695 /nfs/dbraw/zinc/36/06/95/650360695.db2.gz RDPSLVWYTVLYRL-UHFFFAOYSA-N 0 3 282.347 2.306 20 10 CECDHN Cn1ncc2cc(C[N@H+](C)Cc3ccccc3[O-])cnc21 ZINC000876616068 650360698 /nfs/dbraw/zinc/36/06/98/650360698.db2.gz RDPSLVWYTVLYRL-UHFFFAOYSA-N 0 3 282.347 2.306 20 10 CECDHN Cn1ncc2cc(C[N@@H+](C)Cc3ccccc3[O-])cnc21 ZINC000876616068 650360700 /nfs/dbraw/zinc/36/07/00/650360700.db2.gz RDPSLVWYTVLYRL-UHFFFAOYSA-N 0 3 282.347 2.306 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000834502627 637849553 /nfs/dbraw/zinc/84/95/53/637849553.db2.gz RKSYMSZCMJOAED-HOCLYGCPSA-N 0 3 299.370 2.409 20 10 CECDHN CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834694178 637921578 /nfs/dbraw/zinc/92/15/78/637921578.db2.gz VAUNJFHRVDKTJD-CYBMUJFWSA-N 0 3 276.380 2.131 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834844650 637967372 /nfs/dbraw/zinc/96/73/72/637967372.db2.gz SRXJNRPWVNSVDN-SWLSCSKDSA-N 0 3 267.369 2.139 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000834906337 637983777 /nfs/dbraw/zinc/98/37/77/637983777.db2.gz PCKYIKVDPNRGQH-GBIKHYSHSA-N 0 3 253.317 2.343 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@H]2CCCCNC2=O)cc1 ZINC000835037806 638034041 /nfs/dbraw/zinc/03/40/41/638034041.db2.gz XRUASKLPXUCXOX-KJPDOMRESA-N 0 3 287.407 2.024 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000876797715 650437004 /nfs/dbraw/zinc/43/70/04/650437004.db2.gz UEBYDECSZPGTGB-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000876797715 650437007 /nfs/dbraw/zinc/43/70/07/650437007.db2.gz UEBYDECSZPGTGB-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3ccc(C)cc3O)[C@H]2C1 ZINC000876815460 650443674 /nfs/dbraw/zinc/44/36/74/650443674.db2.gz YELUBYHIFIKIDG-VYDXJSESSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)c([O-])c1O ZINC000837173406 639093149 /nfs/dbraw/zinc/09/31/49/639093149.db2.gz ZVFUBMRZEYXORR-UHFFFAOYSA-N 0 3 292.379 2.010 20 10 CECDHN CNC(=O)[C@@H]1CCCCN1Cc1ccc(N(C)C)cc1C ZINC000840910030 639582746 /nfs/dbraw/zinc/58/27/46/639582746.db2.gz JSKZQELFUINKPB-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1ccc(N(C)C)cc1C ZINC000840912059 639582883 /nfs/dbraw/zinc/58/28/83/639582883.db2.gz ZQIRBGCOGNQPSM-UHFFFAOYSA-N 0 3 291.439 2.361 20 10 CECDHN CCc1ncc(CNCc2ccc(OC)cc2O)cn1 ZINC000840941488 639594558 /nfs/dbraw/zinc/59/45/58/639594558.db2.gz XRXFWIICFTYLPU-UHFFFAOYSA-N 0 3 273.336 2.043 20 10 CECDHN CCc1ncc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000840941488 639594567 /nfs/dbraw/zinc/59/45/67/639594567.db2.gz XRXFWIICFTYLPU-UHFFFAOYSA-N 0 3 273.336 2.043 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c([O-])c1 ZINC000840977470 639607087 /nfs/dbraw/zinc/60/70/87/639607087.db2.gz IHIGSUCJVVZIRP-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c([O-])c1 ZINC000840977470 639607088 /nfs/dbraw/zinc/60/70/88/639607088.db2.gz IHIGSUCJVVZIRP-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+]C2CCNCC2)c1 ZINC000841027156 639620257 /nfs/dbraw/zinc/62/02/57/639620257.db2.gz XZLLOARVNJOWDE-UHFFFAOYSA-N 0 3 299.212 2.305 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+]CC2(N)CCC2)c1 ZINC000841050198 639633495 /nfs/dbraw/zinc/63/34/95/639633495.db2.gz ZNXBHNZURQANMV-UHFFFAOYSA-N 0 3 299.212 2.434 20 10 CECDHN [NH3+]CC[C@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000841074376 639645018 /nfs/dbraw/zinc/64/50/18/639645018.db2.gz PFZHWZFIDYGWRW-VIFPVBQESA-N 0 3 264.703 2.118 20 10 CECDHN CC1(C)[NH2+]CC[C@H]1NCc1cc(Br)ccc1[O-] ZINC000841085430 639650501 /nfs/dbraw/zinc/65/05/01/639650501.db2.gz CFKFAANQALHRGS-GFCCVEGCSA-N 0 3 299.212 2.385 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccncc2C)c([O-])c1 ZINC000228661322 639650653 /nfs/dbraw/zinc/65/06/53/639650653.db2.gz WAAJKGMXDQURCB-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CCOC(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])[nH]1 ZINC000876995874 650524191 /nfs/dbraw/zinc/52/41/91/650524191.db2.gz LMXFETNLKGSJAP-UHFFFAOYSA-N 0 3 274.320 2.187 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCc1cnn(C)c1 ZINC000876997507 650525378 /nfs/dbraw/zinc/52/53/78/650525378.db2.gz YPXSUOQZBNTJSZ-UHFFFAOYSA-N 0 3 259.353 2.157 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(N(C)C)CCSC1 ZINC000877074419 650560089 /nfs/dbraw/zinc/56/00/89/650560089.db2.gz JKTCMFNEGHIBJN-HNNXBMFYSA-N 0 3 280.437 2.228 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@]2(N(C)C)CCSC2)c([O-])c1 ZINC000877076746 650562134 /nfs/dbraw/zinc/56/21/34/650562134.db2.gz UOGCCBIPOWLORS-HNNXBMFYSA-N 0 3 280.437 2.228 20 10 CECDHN Cc1cc([O-])c(CN2CCC[C@H]([NH3+])C2)c(Cl)c1 ZINC000843047709 640253112 /nfs/dbraw/zinc/25/31/12/640253112.db2.gz XJRZFZNPJQBWKE-JTQLQIEISA-N 0 3 254.761 2.277 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2CCC(C[NH3+])CC2)c1[O-] ZINC000843345158 640397580 /nfs/dbraw/zinc/39/75/80/640397580.db2.gz WKXGMDOIAVHGFR-UHFFFAOYSA-N 0 3 296.798 2.419 20 10 CECDHN CC[C@H]1CN(Cc2cc(F)cc(C(C)=O)c2[O-])CC[C@@H]1[NH3+] ZINC000843376555 640410364 /nfs/dbraw/zinc/41/03/64/640410364.db2.gz AXEXLBAIKFXIGQ-NHYWBVRUSA-N 0 3 294.370 2.293 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000843412991 640419127 /nfs/dbraw/zinc/41/91/27/640419127.db2.gz CUBTVOYCEBAINB-GFCCVEGCSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000843412991 640419130 /nfs/dbraw/zinc/41/91/30/640419130.db2.gz CUBTVOYCEBAINB-GFCCVEGCSA-N 0 3 265.353 2.400 20 10 CECDHN Cc1ccc(C[NH2+]CCNC(=O)OC(C)(C)C)c([O-])c1 ZINC000877147537 650594898 /nfs/dbraw/zinc/59/48/98/650594898.db2.gz XZHGIIUUGQZDPC-UHFFFAOYSA-N 0 3 280.368 2.315 20 10 CECDHN COCC[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000268013099 640689905 /nfs/dbraw/zinc/68/99/05/640689905.db2.gz SBRHIAOHKOAQCM-CYBMUJFWSA-N 0 3 296.386 2.381 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756294 640828470 /nfs/dbraw/zinc/82/84/70/640828470.db2.gz JXAHIFUOVGGOAF-GXTWGEPZSA-N 0 3 297.301 2.049 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@]3(CC3(F)F)C1)[C@@H](O)CO2 ZINC000844756294 640828474 /nfs/dbraw/zinc/82/84/74/640828474.db2.gz JXAHIFUOVGGOAF-GXTWGEPZSA-N 0 3 297.301 2.049 20 10 CECDHN CC[C@H]([NH2+]CCCn1ccnn1)c1ccccc1[O-] ZINC000126409334 650632855 /nfs/dbraw/zinc/63/28/55/650632855.db2.gz MRLPHJNXOPVJDI-ZDUSSCGKSA-N 0 3 260.341 2.115 20 10 CECDHN CC(C)C[N@H+](C)CCCNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000845996344 641147178 /nfs/dbraw/zinc/14/71/78/641147178.db2.gz NQHGXWYJBIIHGJ-UHFFFAOYSA-N 0 3 295.383 2.368 20 10 CECDHN CC(C)C[N@@H+](C)CCCNCc1cc([N+](=O)[O-])ccc1[O-] ZINC000845996344 641147181 /nfs/dbraw/zinc/14/71/81/641147181.db2.gz NQHGXWYJBIIHGJ-UHFFFAOYSA-N 0 3 295.383 2.368 20 10 CECDHN COC(=O)CC1(NCc2ccc(OC)c(C)c2)CC1 ZINC000846029203 641157371 /nfs/dbraw/zinc/15/73/71/641157371.db2.gz NBWDHZMTAXTYOJ-UHFFFAOYSA-N 0 3 263.337 2.189 20 10 CECDHN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(F)ccc1[O-] ZINC000846214134 641225401 /nfs/dbraw/zinc/22/54/01/641225401.db2.gz SKEUTHVDMOFDAV-NHYWBVRUSA-N 0 3 283.343 2.114 20 10 CECDHN COc1ccc(N2CCN(CC3CC3)CC2)c(OC)c1 ZINC000846748361 641409906 /nfs/dbraw/zinc/40/99/06/641409906.db2.gz NDBQIJOSGWILBP-UHFFFAOYSA-N 0 3 276.380 2.236 20 10 CECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877459823 650729071 /nfs/dbraw/zinc/72/90/71/650729071.db2.gz LURRYBVYEYLBPF-DOTOQJQBSA-N 0 3 293.407 2.356 20 10 CECDHN C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000850355440 642680262 /nfs/dbraw/zinc/68/02/62/642680262.db2.gz IRNGHHUXORTRME-LXIYXOSZSA-N 0 3 267.394 2.172 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877549161 650782089 /nfs/dbraw/zinc/78/20/89/650782089.db2.gz IAQLMNYTUIYRFI-ZDUSSCGKSA-N 0 3 278.396 2.343 20 10 CECDHN CC[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850529757 642743222 /nfs/dbraw/zinc/74/32/22/642743222.db2.gz SRANUMIRXQFOQA-KKZNHRDASA-N 0 3 253.317 2.440 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850548538 642749120 /nfs/dbraw/zinc/74/91/20/642749120.db2.gz UVCUXHXHNYTAJS-MWLCHTKSSA-N 0 3 296.342 2.367 20 10 CECDHN C[N@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1[O-] ZINC000851840360 643186054 /nfs/dbraw/zinc/18/60/54/643186054.db2.gz DMVVSDQWSJSNPH-LBPRGKRZSA-N 0 3 257.280 2.248 20 10 CECDHN C[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccccc1[O-] ZINC000851840360 643186057 /nfs/dbraw/zinc/18/60/57/643186057.db2.gz DMVVSDQWSJSNPH-LBPRGKRZSA-N 0 3 257.280 2.248 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877635691 650826912 /nfs/dbraw/zinc/82/69/12/650826912.db2.gz BRDFTQSGYKIXEU-GXTWGEPZSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877635691 650826916 /nfs/dbraw/zinc/82/69/16/650826916.db2.gz BRDFTQSGYKIXEU-GXTWGEPZSA-N 0 3 277.364 2.332 20 10 CECDHN CN(C)c1ccc(CNC(=O)c2cccc3c2CNC3)cc1 ZINC000852775654 643546941 /nfs/dbraw/zinc/54/69/41/643546941.db2.gz ZMNPSIRVIBNZOA-UHFFFAOYSA-N 0 3 295.386 2.286 20 10 CECDHN COc1cccc(CNCc2c(C)nn(C)c2C)c1O ZINC000112018060 644016204 /nfs/dbraw/zinc/01/62/04/644016204.db2.gz DXHJBJKJASHHFQ-UHFFFAOYSA-N 0 3 275.352 2.041 20 10 CECDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755746 650899059 /nfs/dbraw/zinc/89/90/59/650899059.db2.gz LVXKAIMYSOWZSE-FPQZTECRSA-N 0 3 263.337 2.240 20 10 CECDHN C[S@](=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000754333398 644357241 /nfs/dbraw/zinc/35/72/41/644357241.db2.gz CZICCVXCCVEYSP-IBGZPJMESA-N 0 3 275.373 2.419 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COCCO2)c2c1c(F)ccc2[O-] ZINC000756433586 644648458 /nfs/dbraw/zinc/64/84/58/644648458.db2.gz DLZMJWYGTUMHDW-CKYFFXLPSA-N 0 3 281.327 2.085 20 10 CECDHN COCCOCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756462681 644651381 /nfs/dbraw/zinc/65/13/81/644651381.db2.gz YPCKEVUJOZSPIO-PWSUYJOCSA-N 0 3 283.343 2.332 20 10 CECDHN C[C@H](NCc1cc(F)c(N(C)C)cc1F)C(C)(C)O ZINC000858122632 645067934 /nfs/dbraw/zinc/06/79/34/645067934.db2.gz IBXOBCVCCVQFGP-VIFPVBQESA-N 0 3 272.339 2.280 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@@](C)(O)C2CC2)cc1F ZINC000858134288 645071283 /nfs/dbraw/zinc/07/12/83/645071283.db2.gz NWNAPIAYOJYPPL-OAHLLOKOSA-N 0 3 284.350 2.281 20 10 CECDHN CN(C)c1cc(F)c(CNCC2=CCOCC2)cc1F ZINC000858171343 645080328 /nfs/dbraw/zinc/08/03/28/645080328.db2.gz PWPITPOZUCCPDR-UHFFFAOYSA-N 0 3 282.334 2.467 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H](CO)C2CCC2)cc1F ZINC000858186821 645083913 /nfs/dbraw/zinc/08/39/13/645083913.db2.gz MQGIIMJSJIEEHJ-CQSZACIVSA-N 0 3 284.350 2.281 20 10 CECDHN Cc1ccc(O)c(CNCc2cnc(N3CCCC3)nc2)c1 ZINC000858237296 645095746 /nfs/dbraw/zinc/09/57/46/645095746.db2.gz JGZWBEAGDRVJQJ-UHFFFAOYSA-N 0 3 298.390 2.381 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000858297408 645110470 /nfs/dbraw/zinc/11/04/70/645110470.db2.gz CWRYSAZZYQPLPV-XJKSGUPXSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)[NH2+]1 ZINC000116131153 645180474 /nfs/dbraw/zinc/18/04/74/645180474.db2.gz QDWNCWOOKKQAAM-AOOOYVTPSA-N 0 3 299.212 2.337 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(CO)CCCC1 ZINC000878241300 651043500 /nfs/dbraw/zinc/04/35/00/651043500.db2.gz DPQMTWTWTRYXBF-HNNXBMFYSA-N 0 3 293.407 2.128 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC1(CO)CCCC1 ZINC000878241300 651043501 /nfs/dbraw/zinc/04/35/01/651043501.db2.gz DPQMTWTWTRYXBF-HNNXBMFYSA-N 0 3 293.407 2.128 20 10 CECDHN C[C@H](CC(N)=O)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000765791431 645810828 /nfs/dbraw/zinc/81/08/28/645810828.db2.gz RIXGLCICHNIFLC-GFCCVEGCSA-N 0 3 284.359 2.413 20 10 CECDHN CCCC[N@H+](CCO)Cc1ccc(OCC)cc1[O-] ZINC000768140925 646088748 /nfs/dbraw/zinc/08/87/48/646088748.db2.gz ZNDGMQYTJVMJCU-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCC[N@@H+](CCO)Cc1ccc(OCC)cc1[O-] ZINC000768140925 646088763 /nfs/dbraw/zinc/08/87/63/646088763.db2.gz ZNDGMQYTJVMJCU-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1ccc(CN2CCSCC2)c(O)c1 ZINC000768236914 646099788 /nfs/dbraw/zinc/09/97/88/646099788.db2.gz MGVSEJFDPJNPHX-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN CCOc1ccc(C[NH+]2CCSCC2)c([O-])c1 ZINC000768236914 646099795 /nfs/dbraw/zinc/09/97/95/646099795.db2.gz MGVSEJFDPJNPHX-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC1 ZINC000768448776 646124022 /nfs/dbraw/zinc/12/40/22/646124022.db2.gz WNDDHWWHAZKSFR-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC1 ZINC000768448776 646124023 /nfs/dbraw/zinc/12/40/23/646124023.db2.gz WNDDHWWHAZKSFR-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768463063 646126415 /nfs/dbraw/zinc/12/64/15/646126415.db2.gz FPFOTVLJCBEECH-ZDUSSCGKSA-N 0 3 295.404 2.145 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000768463063 646126418 /nfs/dbraw/zinc/12/64/18/646126418.db2.gz FPFOTVLJCBEECH-ZDUSSCGKSA-N 0 3 295.404 2.145 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC000769445620 646267883 /nfs/dbraw/zinc/26/78/83/646267883.db2.gz ITMXYOSPAZTLRE-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC000769445620 646267891 /nfs/dbraw/zinc/26/78/91/646267891.db2.gz ITMXYOSPAZTLRE-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000769468987 646273588 /nfs/dbraw/zinc/27/35/88/646273588.db2.gz RUUOXJIKSUJPLQ-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000769468987 646273591 /nfs/dbraw/zinc/27/35/91/646273591.db2.gz RUUOXJIKSUJPLQ-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOC[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769531922 646283691 /nfs/dbraw/zinc/28/36/91/646283691.db2.gz FWVBUFOPKGXQBO-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769531922 646283694 /nfs/dbraw/zinc/28/36/94/646283694.db2.gz FWVBUFOPKGXQBO-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC[C@@H](C)S(C)(=O)=O)cc1 ZINC000773104976 646707068 /nfs/dbraw/zinc/70/70/68/646707068.db2.gz PMHJKATVJIKPPW-OLZOCXBDSA-N 0 3 298.452 2.226 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1[O-] ZINC000775131819 646926061 /nfs/dbraw/zinc/92/60/61/646926061.db2.gz WKFMYZQGNFPONS-UONOGXRCSA-N 0 3 287.359 2.483 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775416250 646952710 /nfs/dbraw/zinc/95/27/10/646952710.db2.gz XMMGVVCFTUFQFX-HIFRSBDPSA-N 0 3 279.380 2.220 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccccc1[O-] ZINC000775499177 646960882 /nfs/dbraw/zinc/96/08/82/646960882.db2.gz PJOPINMQSJBBRM-UKRRQHHQSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1[O-] ZINC000775513889 646961435 /nfs/dbraw/zinc/96/14/35/646961435.db2.gz VXLYLEAONOMSOW-ZDUSSCGKSA-N 0 3 285.347 2.127 20 10 CECDHN C[C@@H](NCC(=O)N(C)CC1CC1)c1ccc(N(C)C)cc1 ZINC000775832335 646997113 /nfs/dbraw/zinc/99/71/13/646997113.db2.gz ZBTZLLSGMLYIAM-CYBMUJFWSA-N 0 3 289.423 2.272 20 10 CECDHN C[C@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccc1[O-] ZINC000779060676 647284625 /nfs/dbraw/zinc/28/46/25/647284625.db2.gz HXZMTXTWBQHKPI-RYUDHWBXSA-N 0 3 257.337 2.254 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c([O-])c1 ZINC000782977135 647667755 /nfs/dbraw/zinc/66/77/55/647667755.db2.gz BYRIHBZSDVLKOB-QWRGUYRKSA-N 0 3 253.342 2.040 20 10 CECDHN CC[C@H]([NH2+]C1CN(c2ccncn2)C1)c1ccccc1[O-] ZINC000866495464 647805980 /nfs/dbraw/zinc/80/59/80/647805980.db2.gz CYQGCBULJSYLFH-AWEZNQCLSA-N 0 3 284.363 2.112 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000784641318 647870982 /nfs/dbraw/zinc/87/09/82/647870982.db2.gz XKDNJWVPEOVHPS-ABAIWWIYSA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000784641319 647871156 /nfs/dbraw/zinc/87/11/56/647871156.db2.gz XKDNJWVPEOVHPS-IAQYHMDHSA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(CO)CCC2)c([O-])c1 ZINC000784673674 647874706 /nfs/dbraw/zinc/87/47/06/647874706.db2.gz IIUODVWYQDBFSK-UHFFFAOYSA-N 0 3 265.353 2.043 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1C ZINC000787421826 648107580 /nfs/dbraw/zinc/10/75/80/648107580.db2.gz XFPYCGRKSXQSCV-YPMHNXCESA-N 0 3 294.370 2.275 20 10 CECDHN Cc1cc(O)c(CN(C)[C@H]2CCCCN(C)C2=O)cc1C ZINC000872673872 649454349 /nfs/dbraw/zinc/45/43/49/649454349.db2.gz RCJYLTNVSCMNPT-HNNXBMFYSA-N 0 3 290.407 2.452 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000873156084 649573608 /nfs/dbraw/zinc/57/36/08/649573608.db2.gz OUTCVUOFXRYVIN-NSHDSACASA-N 0 3 265.353 2.306 20 10 CECDHN CC(C)OCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649323 651335265 /nfs/dbraw/zinc/33/52/65/651335265.db2.gz NESDVBVVCLJNJQ-CHWSQXEVSA-N 0 3 267.369 2.219 20 10 CECDHN CCCCNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648473 651335359 /nfs/dbraw/zinc/33/53/59/651335359.db2.gz QOUZMSSUVFMBKL-GFCCVEGCSA-N 0 3 264.369 2.349 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000879649287 651335422 /nfs/dbraw/zinc/33/54/22/651335422.db2.gz PKWXUYWRRIPHTF-GFCCVEGCSA-N 0 3 276.380 2.492 20 10 CECDHN C[NH2+]C[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128315481 651410384 /nfs/dbraw/zinc/41/03/84/651410384.db2.gz QYTFQCUPJHGXED-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2ccncc2N)c1 ZINC000883156807 652382265 /nfs/dbraw/zinc/38/22/65/652382265.db2.gz ZYHUWRHABJYCGK-SNVBAGLBSA-N 0 3 273.336 2.229 20 10 CECDHN Cc1cccc(NCC[NH2+]Cc2ccccc2[O-])n1 ZINC000133485217 652634453 /nfs/dbraw/zinc/63/44/53/652634453.db2.gz UHVKSOJGODTDAN-UHFFFAOYSA-N 0 3 257.337 2.297 20 10 CECDHN [O-]c1c(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349673 809643723 /nfs/dbraw/zinc/64/37/23/809643723.db2.gz ZDNOIEFEEYKRGM-NWDGAFQWSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc(F)c1F ZINC000703349673 809643727 /nfs/dbraw/zinc/64/37/27/809643727.db2.gz ZDNOIEFEEYKRGM-NWDGAFQWSA-N 0 3 282.334 2.387 20 10 CECDHN CC1(C)C[NH2+]CCN1Cc1c([O-])cccc1Br ZINC000706855774 802842840 /nfs/dbraw/zinc/84/28/40/802842840.db2.gz RSINROOZIBVMOO-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN C[C@H]1CN(Cc2c([O-])cccc2Br)[C@@H](C)C[NH2+]1 ZINC000706867082 802847350 /nfs/dbraw/zinc/84/73/50/802847350.db2.gz OJBBKHJHUCDHSG-UWVGGRQHSA-N 0 3 299.212 2.337 20 10 CECDHN C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(Cl)c([O-])cc1O ZINC001205074882 807382445 /nfs/dbraw/zinc/38/24/45/807382445.db2.gz BNQSQRBBQWHRFL-WPRPVWTQSA-N 0 3 270.760 2.063 20 10 CECDHN CCc1ccc(CN2CCNC[C@H]2C(F)(F)F)c(O)c1 ZINC001236984322 808186483 /nfs/dbraw/zinc/18/64/83/808186483.db2.gz YEQZIDGVRLDSPK-ZDUSSCGKSA-N 0 3 288.313 2.291 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203558416 808727537 /nfs/dbraw/zinc/72/75/37/808727537.db2.gz HPTIOFJGGOPIHO-ZDUSSCGKSA-N 0 3 269.291 2.392 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001203558416 808727542 /nfs/dbraw/zinc/72/75/42/808727542.db2.gz HPTIOFJGGOPIHO-ZDUSSCGKSA-N 0 3 269.291 2.392 20 10 CECDHN CCN1CC[C@H]([N@H+](CC)Cc2ccccc2[O-])CC1=O ZINC001172049350 815279474 /nfs/dbraw/zinc/27/94/74/815279474.db2.gz VZNTVYOOFBKIKH-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CCN1CC[C@H]([N@@H+](CC)Cc2ccccc2[O-])CC1=O ZINC001172049350 815279478 /nfs/dbraw/zinc/27/94/78/815279478.db2.gz VZNTVYOOFBKIKH-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000704340976 809730358 /nfs/dbraw/zinc/73/03/58/809730358.db2.gz OBJGAYDPIOWPRV-QWHCGFSZSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccccc1[O-] ZINC000708660848 809932901 /nfs/dbraw/zinc/93/29/01/809932901.db2.gz WVJKGPZXCIKFAX-SMDDNHRTSA-N 0 3 274.364 2.196 20 10 CECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])CO1 ZINC000711220643 810050576 /nfs/dbraw/zinc/05/05/76/810050576.db2.gz UKTNMKBOMIAIQA-VXGBXAGGSA-N 0 3 251.326 2.058 20 10 CECDHN C[C@H](CC(=O)NCc1c([O-])cccc1F)[C@H]1CCC[NH2+]C1 ZINC001122258018 815397276 /nfs/dbraw/zinc/39/72/76/815397276.db2.gz HXLJJWYWAKQJIB-NEPJUHHUSA-N 0 3 294.370 2.173 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC001169335223 811489425 /nfs/dbraw/zinc/48/94/25/811489425.db2.gz QSHUHPGLZRGEAM-HUBLWGQQSA-N 0 3 293.363 2.154 20 10 CECDHN CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172761988 815509882 /nfs/dbraw/zinc/50/98/82/815509882.db2.gz VCGVEPSPPYNLCP-NSHDSACASA-N 0 3 281.352 2.308 20 10 CECDHN COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001172791626 815522679 /nfs/dbraw/zinc/52/26/79/815522679.db2.gz MITQGXNRSPFEIB-YPMHNXCESA-N 0 3 293.363 2.309 20 10 CECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000388733970 813243140 /nfs/dbraw/zinc/24/31/40/813243140.db2.gz CGYHEYBMXXXAJW-QWRGUYRKSA-N 0 3 253.317 2.436 20 10 CECDHN CNC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000398514122 813675972 /nfs/dbraw/zinc/67/59/72/813675972.db2.gz RJCSVQNQCIISTM-ZDUSSCGKSA-N 0 3 284.359 2.113 20 10 CECDHN CNC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000398514122 813675978 /nfs/dbraw/zinc/67/59/78/813675978.db2.gz RJCSVQNQCIISTM-ZDUSSCGKSA-N 0 3 284.359 2.113 20 10 CECDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173125091 815588315 /nfs/dbraw/zinc/58/83/15/815588315.db2.gz WHEYZDYPJYGZDX-SNVBAGLBSA-N 0 3 276.361 2.201 20 10 CECDHN CC(C)CNC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC001116569039 814865302 /nfs/dbraw/zinc/86/53/02/814865302.db2.gz YZVDGZXHPRECKY-PWSUYJOCSA-N 0 3 294.370 2.441 20 10 CECDHN [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@@H]1F ZINC001206197114 815638405 /nfs/dbraw/zinc/63/84/05/815638405.db2.gz GETTVOPRFWTRSD-JQWIXIFHSA-N 0 3 290.741 2.446 20 10 CECDHN COC(CN(C)Cc1ccc2c(c1)CCCN2C)OC ZINC001138356372 815775204 /nfs/dbraw/zinc/77/52/04/815775204.db2.gz NAYGDADNNSCUDK-UHFFFAOYSA-N 0 3 278.396 2.120 20 10 CECDHN CCN(Cc1ccc2c(c1)CCCN2C)C1CN(C)C1 ZINC001138359303 815776805 /nfs/dbraw/zinc/77/68/05/815776805.db2.gz QJFAGWNNVMANMX-UHFFFAOYSA-N 0 3 273.424 2.205 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058706 816180655 /nfs/dbraw/zinc/18/06/55/816180655.db2.gz IDIRYZRZFZLDIA-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058706 816180658 /nfs/dbraw/zinc/18/06/58/816180658.db2.gz IDIRYZRZFZLDIA-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCC(=O)N3C)CC2)c([O-])c1 ZINC001140954452 816424215 /nfs/dbraw/zinc/42/42/15/816424215.db2.gz SCIFMZXVUMKCSI-UHFFFAOYSA-N 0 3 288.391 2.287 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC001141031144 816451506 /nfs/dbraw/zinc/45/15/06/816451506.db2.gz YDAJPPCQOAQIAH-MFKMUULPSA-N 0 3 263.337 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]3C[C@@H]32)c(OC)c1 ZINC001141031144 816451511 /nfs/dbraw/zinc/45/15/11/816451511.db2.gz YDAJPPCQOAQIAH-MFKMUULPSA-N 0 3 263.337 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC(C)C)c(OC)c1 ZINC001141031754 816452535 /nfs/dbraw/zinc/45/25/35/816452535.db2.gz JOWZAAFZGQSCQG-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC(C)C)c(OC)c1 ZINC001141031754 816452539 /nfs/dbraw/zinc/45/25/39/816452539.db2.gz JOWZAAFZGQSCQG-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN OCc1ccc2c(c1)CCN(Cc1cc(O)ccc1O)C2 ZINC001141156204 816490904 /nfs/dbraw/zinc/49/09/04/816490904.db2.gz GTLLQRDUUTYUMC-UHFFFAOYSA-N 0 3 285.343 2.148 20 10 CECDHN CN(C(=O)c1cccc2c1CCNC2)c1cccnc1 ZINC000124298890 539186954 /nfs/dbraw/zinc/18/69/54/539186954.db2.gz OASIFNOYNXLXDG-UHFFFAOYSA-N 0 3 267.332 2.004 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293999734 344693345 /nfs/dbraw/zinc/69/33/45/344693345.db2.gz MENXVLHOIRDAGH-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293999734 344693348 /nfs/dbraw/zinc/69/33/48/344693348.db2.gz MENXVLHOIRDAGH-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@@H](NC[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613426 260227300 /nfs/dbraw/zinc/22/73/00/260227300.db2.gz AKIYLWGJSRBNJG-BXKDBHETSA-N 0 3 276.302 2.326 20 10 CECDHN C[NH+](C)[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000134173268 366295077 /nfs/dbraw/zinc/29/50/77/366295077.db2.gz BOJYVZKMFRQXKS-JTQLQIEISA-N 0 3 254.761 2.182 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@H](C)C(=O)OC)c1[O-] ZINC000091985871 364073555 /nfs/dbraw/zinc/07/35/55/364073555.db2.gz ZSXKNXPQBUJVBX-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@H](C)C(=O)OC)c1[O-] ZINC000091985871 364073558 /nfs/dbraw/zinc/07/35/58/364073558.db2.gz ZSXKNXPQBUJVBX-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820512 364233819 /nfs/dbraw/zinc/23/38/19/364233819.db2.gz WVFWGPAFTMDEFY-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000093820512 364233822 /nfs/dbraw/zinc/23/38/22/364233822.db2.gz WVFWGPAFTMDEFY-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2CCCOC2)cc1F ZINC000113338920 364888725 /nfs/dbraw/zinc/88/87/25/364888725.db2.gz OYKOJDMTNFKQDV-GFCCVEGCSA-N 0 3 252.333 2.160 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168776019 367359963 /nfs/dbraw/zinc/35/99/63/367359963.db2.gz FEDJCSLPJXCRMA-IINYFYTJSA-N 0 3 253.342 2.068 20 10 CECDHN COC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180139695 368367773 /nfs/dbraw/zinc/36/77/73/368367773.db2.gz DSPKASUIITUFNS-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN COC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180139695 368367777 /nfs/dbraw/zinc/36/77/77/368367777.db2.gz DSPKASUIITUFNS-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000179585229 368342844 /nfs/dbraw/zinc/34/28/44/368342844.db2.gz FBLQHAPGKGNXGL-GXTWGEPZSA-N 0 3 265.378 2.099 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000179585229 368342848 /nfs/dbraw/zinc/34/28/48/368342848.db2.gz FBLQHAPGKGNXGL-GXTWGEPZSA-N 0 3 265.378 2.099 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C)(O)CC2)c1 ZINC000179726812 368348096 /nfs/dbraw/zinc/34/80/96/368348096.db2.gz VFDVDJLEYFKESW-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(O)c(CN2CCC(C)(O)CC2)c1 ZINC000179726812 368348101 /nfs/dbraw/zinc/34/81/01/368348101.db2.gz VFDVDJLEYFKESW-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000179902224 368357287 /nfs/dbraw/zinc/35/72/87/368357287.db2.gz LAVUKRVMIVSVRB-AWEZNQCLSA-N 0 3 298.386 2.402 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2cc(C)cn2)c1 ZINC000182434438 368562155 /nfs/dbraw/zinc/56/21/55/368562155.db2.gz MAGNTQVPYVQJJP-GFCCVEGCSA-N 0 3 275.352 2.257 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246013777 370899958 /nfs/dbraw/zinc/89/99/58/370899958.db2.gz UCFLJPKMCILRFK-TZMCWYRMSA-N 0 3 283.368 2.238 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246013777 370899962 /nfs/dbraw/zinc/89/99/62/370899962.db2.gz UCFLJPKMCILRFK-TZMCWYRMSA-N 0 3 283.368 2.238 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192102785 369772398 /nfs/dbraw/zinc/77/23/98/369772398.db2.gz JKXHWZWWNIQHBZ-ZDUSSCGKSA-N 0 3 275.348 2.310 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192102785 369772404 /nfs/dbraw/zinc/77/24/04/369772404.db2.gz JKXHWZWWNIQHBZ-ZDUSSCGKSA-N 0 3 275.348 2.310 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CSCCS1 ZINC000226614612 370348781 /nfs/dbraw/zinc/34/87/81/370348781.db2.gz JKGNFGXNRAWPNN-NSHDSACASA-N 0 3 273.398 2.470 20 10 CECDHN COC[C@@H](C[NH2+][C@@H](C)c1cc(C)ccc1[O-])OC ZINC000230672145 370463545 /nfs/dbraw/zinc/46/35/45/370463545.db2.gz JXJSSYPIJARHBM-NWDGAFQWSA-N 0 3 253.342 2.013 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)Cn2cncn2)cc1 ZINC000269012582 372314609 /nfs/dbraw/zinc/31/46/09/372314609.db2.gz NYHKHHDNNQQBGS-KBPBESRZSA-N 0 3 287.411 2.474 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CC1(CO)COC1 ZINC000269527235 372480299 /nfs/dbraw/zinc/48/02/99/372480299.db2.gz ZEUWIXNTSIYJDY-UHFFFAOYSA-N 0 3 299.370 2.158 20 10 CECDHN COc1cccc(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1[O-] ZINC000269798558 372568230 /nfs/dbraw/zinc/56/82/30/372568230.db2.gz IUUMETBCWLIXNO-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cccc(C)c2[O-])o1 ZINC000271767649 373199998 /nfs/dbraw/zinc/19/99/98/373199998.db2.gz AVJZSZKOFIZELL-ZDUSSCGKSA-N 0 3 261.321 2.425 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c([O-])c1C ZINC000273379300 373753251 /nfs/dbraw/zinc/75/32/51/373753251.db2.gz HVOUXOVEEPISAC-HIFRSBDPSA-N 0 3 292.423 2.380 20 10 CECDHN CC(=O)NCCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273435734 373758043 /nfs/dbraw/zinc/75/80/43/373758043.db2.gz WYHMMRWEEUZLEO-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000273610457 373768887 /nfs/dbraw/zinc/76/88/87/373768887.db2.gz VRMBGPUWSRLMCM-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1O ZINC000273779466 373769893 /nfs/dbraw/zinc/76/98/93/373769893.db2.gz SLDCAQHWZKBAOH-CABZTGNLSA-N 0 3 285.771 2.257 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@@H]1O ZINC000273779466 373769902 /nfs/dbraw/zinc/76/99/02/373769902.db2.gz SLDCAQHWZKBAOH-CABZTGNLSA-N 0 3 285.771 2.257 20 10 CECDHN CC(C)[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283855494 375771741 /nfs/dbraw/zinc/77/17/41/375771741.db2.gz HRHDFIYDGBFTBM-RDJZCZTQSA-N 0 3 293.407 2.390 20 10 CECDHN CC(C)[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000283855494 375771744 /nfs/dbraw/zinc/77/17/44/375771744.db2.gz HRHDFIYDGBFTBM-RDJZCZTQSA-N 0 3 293.407 2.390 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000289343953 376393854 /nfs/dbraw/zinc/39/38/54/376393854.db2.gz IGECBPLIDLACGM-UHFFFAOYSA-N 0 3 269.316 2.210 20 10 CECDHN Cc1cccc(CN(CCCO)Cc2ccccn2)c1O ZINC000289548756 376399027 /nfs/dbraw/zinc/39/90/27/376399027.db2.gz XMBUQHFXFZHWFA-UHFFFAOYSA-N 0 3 286.375 2.480 20 10 CECDHN C[C@H](CNCc1c([O-])cccc1Cl)C[NH+](C)C ZINC000291683443 377205277 /nfs/dbraw/zinc/20/52/77/377205277.db2.gz IAXIETKFOAIWNJ-SNVBAGLBSA-N 0 3 256.777 2.333 20 10 CECDHN C[C@H](C[NH2+]Cc1c([O-])cccc1Cl)CN(C)C ZINC000291683443 377205283 /nfs/dbraw/zinc/20/52/83/377205283.db2.gz IAXIETKFOAIWNJ-SNVBAGLBSA-N 0 3 256.777 2.333 20 10 CECDHN CCn1cc([C@@H](C)NCc2cccc(OC)c2O)cn1 ZINC000294760127 378018095 /nfs/dbraw/zinc/01/80/95/378018095.db2.gz DYSNMKVGDWRGPL-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)CCO)c1 ZINC000295106744 378041720 /nfs/dbraw/zinc/04/17/20/378041720.db2.gz LBHJMICZHBFLJH-RYUDHWBXSA-N 0 3 267.369 2.460 20 10 CECDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)F ZINC000295114512 378043692 /nfs/dbraw/zinc/04/36/92/378043692.db2.gz VMMFCMSSUUPQCP-WCQYABFASA-N 0 3 290.329 2.386 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@](C)(O)C2)c1O ZINC000184701447 262027212 /nfs/dbraw/zinc/02/72/12/262027212.db2.gz DLZHKRQHPLJTBN-ZDUSSCGKSA-N 0 3 271.744 2.011 20 10 CECDHN CCN1CC[C@H](C[NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000228671435 394476266 /nfs/dbraw/zinc/47/62/66/394476266.db2.gz IVZQNPBEIDZPOI-LLVKDONJSA-N 0 3 298.814 2.486 20 10 CECDHN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037782034 394498007 /nfs/dbraw/zinc/49/80/07/394498007.db2.gz IWVFYIFRMQJMNZ-RYUDHWBXSA-N 0 3 262.353 2.054 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@](C)(O)CC)c1[O-] ZINC000106448925 394724832 /nfs/dbraw/zinc/72/48/32/394724832.db2.gz ZBXJFVQLVKIRTO-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271352589 394754761 /nfs/dbraw/zinc/75/47/61/394754761.db2.gz LRJGEYXBLMPDSJ-ZDUSSCGKSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000271352589 394754766 /nfs/dbraw/zinc/75/47/66/394754766.db2.gz LRJGEYXBLMPDSJ-ZDUSSCGKSA-N 0 3 257.337 2.495 20 10 CECDHN Cc1ccc(O)c(CNCc2ccc3c(c2)CCN3C)n1 ZINC000364441456 394903447 /nfs/dbraw/zinc/90/34/47/394903447.db2.gz FKOBNYYEWVEGPU-UHFFFAOYSA-N 0 3 283.375 2.378 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]Cc2ccc3c(c2)CCN3C)n1 ZINC000364441456 394903452 /nfs/dbraw/zinc/90/34/52/394903452.db2.gz FKOBNYYEWVEGPU-UHFFFAOYSA-N 0 3 283.375 2.378 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282127235 394910895 /nfs/dbraw/zinc/91/08/95/394910895.db2.gz BDVRIPFMPWNPSO-FZMZJTMJSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC000282127235 394910898 /nfs/dbraw/zinc/91/08/98/394910898.db2.gz BDVRIPFMPWNPSO-FZMZJTMJSA-N 0 3 265.353 2.400 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368333217 394984278 /nfs/dbraw/zinc/98/42/78/394984278.db2.gz QEYCVGUGITYNTD-UKRRQHHQSA-N 0 3 290.407 2.214 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373216905 395057013 /nfs/dbraw/zinc/05/70/13/395057013.db2.gz OZUWPSOJKGAXGY-GJZGRUSLSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373216905 395057015 /nfs/dbraw/zinc/05/70/15/395057015.db2.gz OZUWPSOJKGAXGY-GJZGRUSLSA-N 0 3 288.391 2.191 20 10 CECDHN CSCCN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000178063753 395159376 /nfs/dbraw/zinc/15/93/76/395159376.db2.gz LJSSNRFPTHDROH-UHFFFAOYSA-N 0 3 280.437 2.318 20 10 CECDHN C[C@@H]1[C@@H](C)CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000177900603 395158420 /nfs/dbraw/zinc/15/84/20/395158420.db2.gz FRBRFIUXISJAAR-UONOGXRCSA-N 0 3 289.423 2.099 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1ccc(C)cc1[O-] ZINC000293708324 395248443 /nfs/dbraw/zinc/24/84/43/395248443.db2.gz MPKSXSBQNPFGSR-VNHYZAJKSA-N 0 3 279.380 2.281 20 10 CECDHN Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)c([O-])c1O ZINC000179395190 395193768 /nfs/dbraw/zinc/19/37/68/395193768.db2.gz RDGSJZMKPONMGG-UHFFFAOYSA-N 0 3 292.379 2.009 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000179469768 395193998 /nfs/dbraw/zinc/19/39/98/395193998.db2.gz QCHQLTIHFFNXEL-AWEZNQCLSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](n3cncn3)C2)c1 ZINC000179469768 395194000 /nfs/dbraw/zinc/19/40/00/395194000.db2.gz QCHQLTIHFFNXEL-AWEZNQCLSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1noc([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179562715 395195598 /nfs/dbraw/zinc/19/55/98/395195598.db2.gz CKZYPQDZSNANSD-CYBMUJFWSA-N 0 3 273.336 2.463 20 10 CECDHN Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179562715 395195601 /nfs/dbraw/zinc/19/56/01/395195601.db2.gz CKZYPQDZSNANSD-CYBMUJFWSA-N 0 3 273.336 2.463 20 10 CECDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])CC(C)C ZINC000179560287 395195622 /nfs/dbraw/zinc/19/56/22/395195622.db2.gz PKMBYEKESDALKO-UHFFFAOYSA-N 0 3 265.353 2.413 20 10 CECDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])CC(C)C ZINC000179560287 395195628 /nfs/dbraw/zinc/19/56/28/395195628.db2.gz PKMBYEKESDALKO-UHFFFAOYSA-N 0 3 265.353 2.413 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000183469590 395257572 /nfs/dbraw/zinc/25/75/72/395257572.db2.gz ZNMXFBQRXIAXBD-GFCCVEGCSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000183469590 395257578 /nfs/dbraw/zinc/25/75/78/395257578.db2.gz ZNMXFBQRXIAXBD-GFCCVEGCSA-N 0 3 255.745 2.311 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183523627 395259145 /nfs/dbraw/zinc/25/91/45/395259145.db2.gz UPOCURAGKFBPOV-OPQQBVKSSA-N 0 3 255.383 2.155 20 10 CECDHN COc1cccc(C[NH2+]CC2(SC)CC2)c1[O-] ZINC000193654912 395412922 /nfs/dbraw/zinc/41/29/22/395412922.db2.gz SMWORKUSZSJTPE-UHFFFAOYSA-N 0 3 253.367 2.386 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088604 174101343 /nfs/dbraw/zinc/10/13/43/174101343.db2.gz DAXLOCSNWZXRGZ-GHMZBOCLSA-N 0 3 252.358 2.002 20 10 CECDHN C[C@@H](C(=O)NCCc1ccc(N)cc1)N1CCCCCC1 ZINC000152501459 261064875 /nfs/dbraw/zinc/06/48/75/261064875.db2.gz ZLKHZCOMTBSRKS-AWEZNQCLSA-N 0 3 289.423 2.192 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179587078 261800716 /nfs/dbraw/zinc/80/07/16/261800716.db2.gz UXQIYMIIPGSPQT-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179587078 261800718 /nfs/dbraw/zinc/80/07/18/261800718.db2.gz UXQIYMIIPGSPQT-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN COCCN1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000185145099 262043968 /nfs/dbraw/zinc/04/39/68/262043968.db2.gz HYNYCSDXBPOXOB-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])CN1CCOCC1 ZINC000185505631 262057822 /nfs/dbraw/zinc/05/78/22/262057822.db2.gz KGOWRUVTZNMLLX-OLZOCXBDSA-N 0 3 296.386 2.150 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COc3ccccc3[C@H]1O)CC2 ZINC000297217559 265041456 /nfs/dbraw/zinc/04/14/56/265041456.db2.gz HBEICNJLIOQONH-HBUWYVDXSA-N 0 3 297.354 2.464 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c([O-])c1 ZINC000368331295 267163190 /nfs/dbraw/zinc/16/31/90/267163190.db2.gz JCAVBSZALRJZPK-QVHKTLOISA-N 0 3 288.391 2.361 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)cc1C ZINC000369227089 267227344 /nfs/dbraw/zinc/22/73/44/267227344.db2.gz XWROIYWJLRYCCN-CABCVRRESA-N 0 3 288.391 2.252 20 10 CECDHN c1cc(CNC[C@H]2COC3(CCCC3)O2)cc2c1OCC2 ZINC000376803206 268019543 /nfs/dbraw/zinc/01/95/43/268019543.db2.gz FGMVHCBBTZATOR-HNNXBMFYSA-N 0 3 289.375 2.397 20 10 CECDHN C[C@H](Cn1cccn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296686126 274500531 /nfs/dbraw/zinc/50/05/31/274500531.db2.gz GWVUHQMARXSWQO-YPMHNXCESA-N 0 3 257.337 2.254 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794721 278160294 /nfs/dbraw/zinc/16/02/94/278160294.db2.gz QBMMJPIAADOBRT-XHVZSJERSA-N 0 3 267.394 2.082 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCSCCCO)c1 ZINC000185378629 327839148 /nfs/dbraw/zinc/83/91/48/327839148.db2.gz ONALHQRZFWREPX-GFCCVEGCSA-N 0 3 269.410 2.467 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CCCO)c1 ZINC000294863039 327576374 /nfs/dbraw/zinc/57/63/74/327576374.db2.gz TZDRTLOOZMMCMP-VXGBXAGGSA-N 0 3 267.369 2.460 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000187343061 329355418 /nfs/dbraw/zinc/35/54/18/329355418.db2.gz GRBRRFOVURUJBQ-UMVBOHGHSA-N 0 3 263.337 2.058 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1[O-] ZINC000230315840 333316479 /nfs/dbraw/zinc/31/64/79/333316479.db2.gz MCWWLFMFOZJNAV-SWLSCSKDSA-N 0 3 263.337 2.058 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1[O-] ZINC000252563686 334382658 /nfs/dbraw/zinc/38/26/58/334382658.db2.gz XLXYGFSLQLLGIG-LZWOXQAQSA-N 0 3 290.407 2.296 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191655629 518157650 /nfs/dbraw/zinc/15/76/50/518157650.db2.gz DEIUVXCYWVSRCT-DCAQKATOSA-N 0 3 253.342 2.475 20 10 CECDHN COc1cccc(CN2CCC3(CC2)OCCCO3)c1O ZINC000293791732 518164806 /nfs/dbraw/zinc/16/48/06/518164806.db2.gz ZXOMJKNIEMKXJH-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN COc1cccc(C[NH+]2CCC3(CC2)OCCCO3)c1[O-] ZINC000293791732 518164809 /nfs/dbraw/zinc/16/48/09/518164809.db2.gz ZXOMJKNIEMKXJH-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CCCOc1ccc(C[NH2+]CCc2cnn(C)c2)c([O-])c1 ZINC000101593976 520366783 /nfs/dbraw/zinc/36/67/83/520366783.db2.gz XONJOMQDVTXFGT-UHFFFAOYSA-N 0 3 289.379 2.247 20 10 CECDHN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000271461765 520441117 /nfs/dbraw/zinc/44/11/17/520441117.db2.gz XEHLABOXSYVVPS-JKSUJKDBSA-N 0 3 291.391 2.144 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275850380 521146852 /nfs/dbraw/zinc/14/68/52/521146852.db2.gz HXGQUTSXLVLFRF-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275850380 521146859 /nfs/dbraw/zinc/14/68/59/521146859.db2.gz HXGQUTSXLVLFRF-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@H](O)C(C)(C)C2)c1 ZINC000275850380 521146864 /nfs/dbraw/zinc/14/68/64/521146864.db2.gz HXGQUTSXLVLFRF-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCc2nccnc2C)c1 ZINC000292858851 521152973 /nfs/dbraw/zinc/15/29/73/521152973.db2.gz ALWDTEBLOJYRPL-UHFFFAOYSA-N 0 3 287.363 2.222 20 10 CECDHN CCCN(CC)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000299341525 521605144 /nfs/dbraw/zinc/60/51/44/521605144.db2.gz ALMVAUJVUHDQKT-UHFFFAOYSA-N 0 3 291.439 2.443 20 10 CECDHN CCOC(CC[NH2+]Cc1cc(OC)ccc1[O-])OCC ZINC000276174494 521630052 /nfs/dbraw/zinc/63/00/52/521630052.db2.gz JTPZQHZDCVJCOI-UHFFFAOYSA-N 0 3 283.368 2.280 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)CCO)c1[O-] ZINC000228675572 522540930 /nfs/dbraw/zinc/54/09/30/522540930.db2.gz IMQARSXMWUBAST-SECBINFHSA-N 0 3 273.760 2.162 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000280260115 522621081 /nfs/dbraw/zinc/62/10/81/522621081.db2.gz XDISGEQJXYBMPD-JSGCOSHPSA-N 0 3 297.420 2.176 20 10 CECDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000280970629 522822266 /nfs/dbraw/zinc/82/22/66/522822266.db2.gz LHKWTUHYZTXRII-CYBMUJFWSA-N 0 3 297.420 2.400 20 10 CECDHN CO[C@H]1CCN(Cc2cc(Br)ccc2O)C1 ZINC000234885197 523995549 /nfs/dbraw/zinc/99/55/49/523995549.db2.gz UIMQLFUPAVSHCN-NSHDSACASA-N 0 3 286.169 2.375 20 10 CECDHN CO[C@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000289410989 524010304 /nfs/dbraw/zinc/01/03/04/524010304.db2.gz AGFJBNKHYOHORB-IRXDYDNUSA-N 0 3 290.407 2.180 20 10 CECDHN COc1ccc(C[NH2+]Cc2cc3c(cc2[O-])OCO3)cc1 ZINC000042879174 524072731 /nfs/dbraw/zinc/07/27/31/524072731.db2.gz AGHPPTNJRBNNBX-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN COc1ccc(CNCc2cc3c(cc2O)OCO3)cc1 ZINC000042879174 524072733 /nfs/dbraw/zinc/07/27/33/524072733.db2.gz AGHPPTNJRBNNBX-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1 ZINC000284940787 524334445 /nfs/dbraw/zinc/33/44/45/524334445.db2.gz DUTQUSDYPAIOMS-KKUMJFAQSA-N 0 3 293.407 2.305 20 10 CECDHN C[C@H]1OCC[C@@]12C[N@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570365 525043170 /nfs/dbraw/zinc/04/31/70/525043170.db2.gz VSUIHONQSOKDCM-XJKCOSOUSA-N 0 3 277.364 2.161 20 10 CECDHN C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O2 ZINC000280570365 525043178 /nfs/dbraw/zinc/04/31/78/525043178.db2.gz VSUIHONQSOKDCM-XJKCOSOUSA-N 0 3 277.364 2.161 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1 ZINC000037782916 525365590 /nfs/dbraw/zinc/36/55/90/525365590.db2.gz XPBWAIIYNGMFKI-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(F)ccc1[O-] ZINC000094617555 525601599 /nfs/dbraw/zinc/60/15/99/525601599.db2.gz OTZZSGFVYDPKCF-WDEREUQCSA-N 0 3 263.316 2.467 20 10 CECDHN C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471511 525791567 /nfs/dbraw/zinc/79/15/67/525791567.db2.gz NBTIDOCMEVDNAZ-AAEUAGOBSA-N 0 3 293.363 2.246 20 10 CECDHN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471511 525791575 /nfs/dbraw/zinc/79/15/75/525791575.db2.gz NBTIDOCMEVDNAZ-AAEUAGOBSA-N 0 3 293.363 2.246 20 10 CECDHN COc1cccc(C[N@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290581948 525912213 /nfs/dbraw/zinc/91/22/13/525912213.db2.gz UQHGLTYLHJSEAJ-UHFFFAOYSA-N 0 3 289.379 2.428 20 10 CECDHN COc1cccc(C[N@@H+](C)CCCn2ccnc2C)c1[O-] ZINC000290581948 525912230 /nfs/dbraw/zinc/91/22/30/525912230.db2.gz UQHGLTYLHJSEAJ-UHFFFAOYSA-N 0 3 289.379 2.428 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)c([O-])c1 ZINC000128122966 525921986 /nfs/dbraw/zinc/92/19/86/525921986.db2.gz LUUCRDLUJQAZLF-LBPRGKRZSA-N 0 3 259.353 2.327 20 10 CECDHN C[C@H](C(=O)NCc1ccccc1O)N1[C@H](C)CC[C@@H]1C ZINC000263696151 526087503 /nfs/dbraw/zinc/08/75/03/526087503.db2.gz NLOMJAQNUFAERQ-FRRDWIJNSA-N 0 3 276.380 2.270 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC13CCOCC3)OCO2 ZINC000374286739 526335119 /nfs/dbraw/zinc/33/51/19/526335119.db2.gz ZLBULFDBOHZEOV-UHFFFAOYSA-N 0 3 291.347 2.266 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC13CCOCC3)OCO2 ZINC000374286739 526335124 /nfs/dbraw/zinc/33/51/24/526335124.db2.gz ZLBULFDBOHZEOV-UHFFFAOYSA-N 0 3 291.347 2.266 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCCCO)C[C@H]1CCCO1 ZINC000264647752 527537689 /nfs/dbraw/zinc/53/76/89/527537689.db2.gz ZFCCZHPEUDGWTC-OAHLLOKOSA-N 0 3 279.380 2.146 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCCCO)C[C@H]1CCCO1 ZINC000264647752 527537695 /nfs/dbraw/zinc/53/76/95/527537695.db2.gz ZFCCZHPEUDGWTC-OAHLLOKOSA-N 0 3 279.380 2.146 20 10 CECDHN CC[C@@H](C(=O)NCc1c(C)c2ccccc2n1C)N(C)C ZINC000352125908 529284695 /nfs/dbraw/zinc/28/46/95/529284695.db2.gz NSVCYCFOYDLQJF-AWEZNQCLSA-N 0 3 287.407 2.443 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1OC ZINC000753575205 574511304 /nfs/dbraw/zinc/51/13/04/574511304.db2.gz GRSVXSHKGBNXKK-MEBBXXQBSA-N 0 3 281.352 2.067 20 10 CECDHN CC1(C)CC(NC(=O)c2cc([O-])cs2)CC(C)(C)[NH2+]1 ZINC000732263302 574616481 /nfs/dbraw/zinc/61/64/81/574616481.db2.gz NPPYKOFVAXKBSW-UHFFFAOYSA-N 0 3 282.409 2.493 20 10 CECDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000732289522 574618464 /nfs/dbraw/zinc/61/84/64/574618464.db2.gz HXPQTVPIMIRIQX-PHIMTYICSA-N 0 3 282.409 2.446 20 10 CECDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cc([O-])cs1 ZINC000732289522 574618465 /nfs/dbraw/zinc/61/84/65/574618465.db2.gz HXPQTVPIMIRIQX-PHIMTYICSA-N 0 3 282.409 2.446 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)c([O-])c1 ZINC000753568577 575330387 /nfs/dbraw/zinc/33/03/87/575330387.db2.gz SIURDTBUQDPUJT-UHFFFAOYSA-N 0 3 299.330 2.273 20 10 CECDHN CN(C)c1ccc([C@@H](CNC(=O)C2(C)CC2)N(C)C)cc1 ZINC000891251929 623327134 /nfs/dbraw/zinc/32/71/34/623327134.db2.gz IERWIPFGLWHETO-OAHLLOKOSA-N 0 3 289.423 2.272 20 10 CECDHN COc1ccc(CN2CCCOC[C@H]2C)c(O)c1OC ZINC000892077828 624302311 /nfs/dbraw/zinc/30/23/11/624302311.db2.gz ZPIIAUJDWOYNBJ-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)CN1C ZINC000775983113 628354018 /nfs/dbraw/zinc/35/40/18/628354018.db2.gz BCEMKENWEYEHSW-STQMWFEESA-N 0 3 279.403 2.416 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)CC(F)F ZINC000313912818 628664174 /nfs/dbraw/zinc/66/41/74/628664174.db2.gz IYIAHGSPKRBGCH-ZDUSSCGKSA-N 0 3 299.365 2.084 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000840964407 628925384 /nfs/dbraw/zinc/92/53/84/628925384.db2.gz RYHODUVXCVJQNV-SRVKXCTJSA-N 0 3 265.353 2.304 20 10 CECDHN COc1cc(C)cc(CN[C@@H]2c3ccccc3C[C@@H]2O)c1O ZINC000894203049 629206702 /nfs/dbraw/zinc/20/67/02/629206702.db2.gz PKOAKGHWNCTJPP-DOTOQJQBSA-N 0 3 299.370 2.457 20 10 CECDHN CCc1[nH]c(C[NH2+]Cc2ccccc2[O-])cc1C(=O)OC ZINC000894213990 629230616 /nfs/dbraw/zinc/23/06/16/629230616.db2.gz SVVVIABBBATCCX-UHFFFAOYSA-N 0 3 288.347 2.359 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894797307 629646012 /nfs/dbraw/zinc/64/60/12/629646012.db2.gz QKJDSQCHCMACGE-OAHLLOKOSA-N 0 3 265.353 2.333 20 10 CECDHN Cc1nnc([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000895008331 629799481 /nfs/dbraw/zinc/79/94/81/629799481.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 0 3 292.770 2.462 20 10 CECDHN Cc1nnc([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000895008331 629799483 /nfs/dbraw/zinc/79/94/83/629799483.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 0 3 292.770 2.462 20 10 CECDHN Cc1n[nH]c([C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000895008331 629799485 /nfs/dbraw/zinc/79/94/85/629799485.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 0 3 292.770 2.462 20 10 CECDHN Cc1n[nH]c([C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000895008331 629799487 /nfs/dbraw/zinc/79/94/87/629799487.db2.gz WCWBIKWMJMDNAL-JTQLQIEISA-N 0 3 292.770 2.462 20 10 CECDHN CN(C)Cc1cnc(CNCc2ccccc2O)s1 ZINC000796285001 629834344 /nfs/dbraw/zinc/83/43/44/629834344.db2.gz WCPZZGVTEKPNIE-UHFFFAOYSA-N 0 3 277.393 2.200 20 10 CECDHN COc1cc(C)cc(CN2CCCc3n[nH]cc3C2)c1O ZINC000895364868 630141022 /nfs/dbraw/zinc/14/10/22/630141022.db2.gz SXEWOCAVJGROBM-UHFFFAOYSA-N 0 3 287.363 2.381 20 10 CECDHN CCC1(CC)CNC(=O)[C@H]1NCc1ccc2c(c1)CCO2 ZINC000897344482 631150322 /nfs/dbraw/zinc/15/03/22/631150322.db2.gz CYUCXCJHSHQMEL-OAHLLOKOSA-N 0 3 288.391 2.016 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695273 632002271 /nfs/dbraw/zinc/00/22/71/632002271.db2.gz KHFCEKWXMUNOJD-QMTHXVAHSA-N 0 3 287.787 2.402 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCOC23CCOCC3)c([O-])c1 ZINC000898113257 632055839 /nfs/dbraw/zinc/05/58/39/632055839.db2.gz WESRTZTUACCCDD-HNNXBMFYSA-N 0 3 277.364 2.128 20 10 CECDHN Oc1cc2c(cc1CN1CC(Cc3ccoc3)C1)OCO2 ZINC000898160903 632075987 /nfs/dbraw/zinc/07/59/87/632075987.db2.gz YQWDZIMTMHNRII-UHFFFAOYSA-N 0 3 287.315 2.388 20 10 CECDHN Cn1nc2c(c1C[NH2+]Cc1ccccc1[O-])CCCC2 ZINC000812773874 632575309 /nfs/dbraw/zinc/57/53/09/632575309.db2.gz XIABXDOZGHYLSD-UHFFFAOYSA-N 0 3 271.364 2.294 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000927147014 632594191 /nfs/dbraw/zinc/59/41/91/632594191.db2.gz IKSAVTGBIUBVEL-DNRKLUKYSA-N 0 3 265.328 2.440 20 10 CECDHN CN1CCC[C@H]1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000817372160 633643671 /nfs/dbraw/zinc/64/36/71/633643671.db2.gz HGQMNKZJHJWPNK-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN CN1CCC[C@H]1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000817372160 633643674 /nfs/dbraw/zinc/64/36/74/633643674.db2.gz HGQMNKZJHJWPNK-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000817587601 633703004 /nfs/dbraw/zinc/70/30/04/633703004.db2.gz ZJPLBJSABZNGNR-MRVWCRGKSA-N 0 3 288.391 2.261 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1)c1ccc(F)cc1[O-] ZINC000817949368 633794998 /nfs/dbraw/zinc/79/49/98/633794998.db2.gz JWHPXMIDSRLWTH-PWSUYJOCSA-N 0 3 252.333 2.324 20 10 CECDHN CC(C)[C@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959894 633803080 /nfs/dbraw/zinc/80/30/80/633803080.db2.gz WKGLEXBEOPAZRZ-QPUJVOFHSA-N 0 3 258.312 2.304 20 10 CECDHN CC(C)[C@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959894 633803089 /nfs/dbraw/zinc/80/30/89/633803089.db2.gz WKGLEXBEOPAZRZ-QPUJVOFHSA-N 0 3 258.312 2.304 20 10 CECDHN CCN[C@H](C)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817974099 633817457 /nfs/dbraw/zinc/81/74/57/633817457.db2.gz YJVNMXSONDIMNH-RKDXNWHRSA-N 0 3 258.312 2.319 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2[O-] ZINC000817977065 633819954 /nfs/dbraw/zinc/81/99/54/633819954.db2.gz ZXVCZBRIISPTSD-FYLLDIAZSA-N 0 3 282.334 2.369 20 10 CECDHN COc1ccc(N2CC[C@H](CNCc3ncc[nH]3)C2)cc1 ZINC000818221383 633887304 /nfs/dbraw/zinc/88/73/04/633887304.db2.gz RQHADWVFQZWQJM-CYBMUJFWSA-N 0 3 286.379 2.034 20 10 CECDHN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000818350959 633915261 /nfs/dbraw/zinc/91/52/61/633915261.db2.gz NUDJRLHRUVZRGF-SNVBAGLBSA-N 0 3 289.372 2.007 20 10 CECDHN Nc1ccc(CCNC(=O)[C@H](N)CC2CCCCC2)cc1 ZINC000818545132 633942775 /nfs/dbraw/zinc/94/27/75/633942775.db2.gz KIWUTUGGTRYBOQ-MRXNPFEDSA-N 0 3 289.423 2.225 20 10 CECDHN C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([O-])cs1 ZINC000819922957 634284046 /nfs/dbraw/zinc/28/40/46/634284046.db2.gz QFWOEMSIXIKARO-JTQLQIEISA-N 0 3 282.409 2.256 20 10 CECDHN C[C@@H](C1CCN(C)CC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000819922957 634284051 /nfs/dbraw/zinc/28/40/51/634284051.db2.gz QFWOEMSIXIKARO-JTQLQIEISA-N 0 3 282.409 2.256 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC000903286774 635050743 /nfs/dbraw/zinc/05/07/43/635050743.db2.gz NVTTWHBQYKGIRT-VFHGRFQUSA-N 0 3 257.333 2.145 20 10 CECDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])CCO1 ZINC000824320395 635404758 /nfs/dbraw/zinc/40/47/58/635404758.db2.gz HAKSOTMPBAUVTE-OLZOCXBDSA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H]2CC)c([O-])c1 ZINC000824637172 635468465 /nfs/dbraw/zinc/46/84/65/635468465.db2.gz WKMGHIIEXAMRLA-HIFRSBDPSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)c([O-])c1 ZINC000824637172 635468470 /nfs/dbraw/zinc/46/84/70/635468470.db2.gz WKMGHIIEXAMRLA-HIFRSBDPSA-N 0 3 279.380 2.384 20 10 CECDHN CC(C)[N@@H+]1CC[C@H](N(C)Cc2cccc(F)c2[O-])C1 ZINC000825337670 635620307 /nfs/dbraw/zinc/62/03/07/635620307.db2.gz HXQNXKDIRBYTPB-ZDUSSCGKSA-N 0 3 266.360 2.446 20 10 CECDHN CC(C)[N@H+]1CC[C@H](N(C)Cc2cccc(F)c2[O-])C1 ZINC000825337670 635620311 /nfs/dbraw/zinc/62/03/11/635620311.db2.gz HXQNXKDIRBYTPB-ZDUSSCGKSA-N 0 3 266.360 2.446 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338325 635620427 /nfs/dbraw/zinc/62/04/27/635620427.db2.gz OKTFHVSACKGVIC-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338325 635620431 /nfs/dbraw/zinc/62/04/31/635620431.db2.gz OKTFHVSACKGVIC-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827140537 636233416 /nfs/dbraw/zinc/23/34/16/636233416.db2.gz LFASDSPVERHSSO-CYBMUJFWSA-N 0 3 285.771 2.201 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2COCCO2)c1[O-] ZINC000827140537 636233420 /nfs/dbraw/zinc/23/34/20/636233420.db2.gz LFASDSPVERHSSO-CYBMUJFWSA-N 0 3 285.771 2.201 20 10 CECDHN COc1cccc(O)c1CN(C)CC1=CCCOC1 ZINC000827184727 636249106 /nfs/dbraw/zinc/24/91/06/636249106.db2.gz GLUKVFKSFJWIBQ-UHFFFAOYSA-N 0 3 263.337 2.179 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)c1ccco1)CC2 ZINC000834502164 637849532 /nfs/dbraw/zinc/84/95/32/637849532.db2.gz NFZGTMGAVHOWCU-WCQYABFASA-N 0 3 259.305 2.296 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3c[nH]nc3C1)CC2 ZINC000834620986 637893418 /nfs/dbraw/zinc/89/34/18/637893418.db2.gz ZTXMVVSAOPZDTH-STQMWFEESA-N 0 3 269.348 2.250 20 10 CECDHN CN(C)c1ccc(/C=C/CN(C)[C@@H]2CCOC2)cc1 ZINC000835029600 638030606 /nfs/dbraw/zinc/03/06/06/638030606.db2.gz XYSWOILLOKSPQD-DWTRPJMMSA-N 0 3 260.381 2.487 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000835045872 638036612 /nfs/dbraw/zinc/03/66/12/638036612.db2.gz KZTLXNXPURCYCP-REMYHPOOSA-N 0 3 297.406 2.304 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876814674 650443798 /nfs/dbraw/zinc/44/37/98/650443798.db2.gz PEOSNKSNZHBYGE-AWEZNQCLSA-N 0 3 279.380 2.328 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876814674 650443799 /nfs/dbraw/zinc/44/37/99/650443799.db2.gz PEOSNKSNZHBYGE-AWEZNQCLSA-N 0 3 279.380 2.328 20 10 CECDHN CC(C)(CC[NH2+][C@@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000840876857 639568855 /nfs/dbraw/zinc/56/88/55/639568855.db2.gz PNAQLMWXQAYKAJ-GFCCVEGCSA-N 0 3 297.420 2.182 20 10 CECDHN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(F)ccc1[O-] ZINC000168848081 639586943 /nfs/dbraw/zinc/58/69/43/639586943.db2.gz OPWIJMGPPRFUTA-LXIMFEHMSA-N 0 3 273.373 2.339 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)C(=O)NC(C)C)c1[O-] ZINC000840974383 639605605 /nfs/dbraw/zinc/60/56/05/639605605.db2.gz IFBBFNRVZKJXBP-JTQLQIEISA-N 0 3 284.787 2.357 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1NCCc2ccccc21 ZINC000841069319 639642735 /nfs/dbraw/zinc/64/27/35/639642735.db2.gz UGEGKEDAZKGIAH-MRXNPFEDSA-N 0 3 268.360 2.369 20 10 CECDHN CC[C@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1[O-] ZINC000842902234 640216696 /nfs/dbraw/zinc/21/66/96/640216696.db2.gz MNEDFVQGNXLTKI-ZDUSSCGKSA-N 0 3 274.368 2.194 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCc2ncn(C)n2)c([O-])c1 ZINC000842902149 640216866 /nfs/dbraw/zinc/21/68/66/640216866.db2.gz MBIJBMPAUIEUSH-GFCCVEGCSA-N 0 3 274.368 2.113 20 10 CECDHN CCCN1CCC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077329 650562085 /nfs/dbraw/zinc/56/20/85/650562085.db2.gz DGCGCEKYPXTSLH-AWEZNQCLSA-N 0 3 261.369 2.106 20 10 CECDHN [O-]c1cccc(Cl)c1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843104780 640282678 /nfs/dbraw/zinc/28/26/78/640282678.db2.gz MAQJFZREYSIZTO-PHIMTYICSA-N 0 3 266.772 2.372 20 10 CECDHN Cc1cncc(CC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000844313014 640673628 /nfs/dbraw/zinc/67/36/28/640673628.db2.gz PPWUOZZRSUAUIT-LBPRGKRZSA-N 0 3 257.337 2.384 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844323414 640679226 /nfs/dbraw/zinc/67/92/26/640679226.db2.gz ODPQLMWMSBDCSP-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844323414 640679233 /nfs/dbraw/zinc/67/92/33/640679233.db2.gz ODPQLMWMSBDCSP-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000846046884 641164838 /nfs/dbraw/zinc/16/48/38/641164838.db2.gz PTTNBNHSKKBWAA-FZNQNYSPSA-N 0 3 296.370 2.413 20 10 CECDHN CCOc1ccc(C[NH2+]CCC2(CO)CCC2)c([O-])c1 ZINC000846103308 641182236 /nfs/dbraw/zinc/18/22/36/641182236.db2.gz WMVSFGYVUMEODI-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846205515 641220282 /nfs/dbraw/zinc/22/02/82/641220282.db2.gz HTCFKGFJSBZDRU-RYUDHWBXSA-N 0 3 274.364 2.054 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000846707862 641404611 /nfs/dbraw/zinc/40/46/11/641404611.db2.gz ZRNNCBRWFJIJLB-TVQRCGJNSA-N 0 3 280.343 2.046 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@@H](C)C(C)C)c1 ZINC000182406133 641655761 /nfs/dbraw/zinc/65/57/61/641655761.db2.gz MTXOGXRCCGHPTO-NWDGAFQWSA-N 0 3 294.395 2.212 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@]3(CCOC3)C2)c1 ZINC000184286037 641851874 /nfs/dbraw/zinc/85/18/74/641851874.db2.gz MFTNHEZLUANXCN-MRXNPFEDSA-N 0 3 277.364 2.000 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC(C)C)c([O-])c1 ZINC000185117352 641938058 /nfs/dbraw/zinc/93/80/58/641938058.db2.gz ADBVXONTKMSKIY-KGLIPLIRSA-N 0 3 281.396 2.385 20 10 CECDHN CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185530688 641989622 /nfs/dbraw/zinc/98/96/22/641989622.db2.gz SANWJUCVFRHXRJ-NWDGAFQWSA-N 0 3 269.410 2.465 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCS(C)(=O)=O)c([O-])c1 ZINC000185791315 642029022 /nfs/dbraw/zinc/02/90/22/642029022.db2.gz ZNTZQFOTXADCFR-VXGBXAGGSA-N 0 3 285.409 2.174 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000848558285 642051839 /nfs/dbraw/zinc/05/18/39/642051839.db2.gz LCMZCQMGUZXLQE-ZSGNIPIJSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(F)ccc1[O-] ZINC000848569085 642058457 /nfs/dbraw/zinc/05/84/57/642058457.db2.gz BUIQXLRKZMCVDE-BXKDBHETSA-N 0 3 294.326 2.165 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000768754143 642107509 /nfs/dbraw/zinc/10/75/09/642107509.db2.gz PXJDYGKARSEELL-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000768754143 642107512 /nfs/dbraw/zinc/10/75/12/642107512.db2.gz PXJDYGKARSEELL-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN [NH3+]C[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000848716057 642110341 /nfs/dbraw/zinc/11/03/41/642110341.db2.gz SNLHITAPLZAUTO-SECBINFHSA-N 0 3 268.666 2.025 20 10 CECDHN COc1cc(O)c(CN2C[C@H](C)[C@H]2C)cc1OC ZINC000816648690 642162073 /nfs/dbraw/zinc/16/20/73/642162073.db2.gz NOZVOTPBVISFNM-VHSXEESVSA-N 0 3 251.326 2.250 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)C2(CO)CC2)c([O-])c1 ZINC000850360624 642681961 /nfs/dbraw/zinc/68/19/61/642681961.db2.gz IFLCCRNWCKKBOR-LLVKDONJSA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccccc1C[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000850404270 642702616 /nfs/dbraw/zinc/70/26/16/642702616.db2.gz DNTRRECSQWVFIE-UHFFFAOYSA-N 0 3 271.307 2.422 20 10 CECDHN COC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000850493365 642731576 /nfs/dbraw/zinc/73/15/76/642731576.db2.gz VWGUZDVSHZWVCV-IUODEOHRSA-N 0 3 279.380 2.484 20 10 CECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877655259 650836260 /nfs/dbraw/zinc/83/62/60/650836260.db2.gz SLHIVJHDTOFJCM-ZDUSSCGKSA-N 0 3 275.348 2.442 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000877657064 650837231 /nfs/dbraw/zinc/83/72/31/650837231.db2.gz HALVSQCRWVLDPN-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN CC[C@@H]([NH2+]Cc1cnnn1CC)c1ccccc1[O-] ZINC000838913704 644066737 /nfs/dbraw/zinc/06/67/37/644066737.db2.gz WQGBWLIOMOVIMN-CYBMUJFWSA-N 0 3 260.341 2.245 20 10 CECDHN COc1cccc(O)c1CN1CC2(CC(F)C2)C1 ZINC000839139093 644170915 /nfs/dbraw/zinc/17/09/15/644170915.db2.gz BWRVUNXMMXBPIZ-UHFFFAOYSA-N 0 3 251.301 2.335 20 10 CECDHN CN(C)c1ccc(CN2CC3(C2)CCOCC3)cc1 ZINC000839140826 644172404 /nfs/dbraw/zinc/17/24/04/644172404.db2.gz IQWBFCQIGUEENZ-UHFFFAOYSA-N 0 3 260.381 2.365 20 10 CECDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCOC1 ZINC000877758039 650900042 /nfs/dbraw/zinc/90/00/42/650900042.db2.gz GKEYJPUYBQXPCU-HUBLWGQQSA-N 0 3 265.353 2.094 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756035260 644596226 /nfs/dbraw/zinc/59/62/26/644596226.db2.gz TVDZIFISHXSKME-UHFFFAOYSA-N 0 3 269.348 2.392 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756395814 644643614 /nfs/dbraw/zinc/64/36/14/644643614.db2.gz JJNSDZCZXRILHF-JLLWLGSASA-N 0 3 292.354 2.338 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C)C2=O)c2c1c(F)ccc2[O-] ZINC000756637194 644677162 /nfs/dbraw/zinc/67/71/62/644677162.db2.gz HCXGVRWFIPUXGB-YUSALJHKSA-N 0 3 292.354 2.290 20 10 CECDHN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756734596 644688512 /nfs/dbraw/zinc/68/85/12/644688512.db2.gz YGFGZOLHQFMKHY-JTQLQIEISA-N 0 3 278.331 2.036 20 10 CECDHN CCCCCNC(=O)CN[C@@H](C)c1cc(OC)ccc1O ZINC000839540338 644742032 /nfs/dbraw/zinc/74/20/32/644742032.db2.gz SZAFYBNYFDDQDD-LBPRGKRZSA-N 0 3 294.395 2.358 20 10 CECDHN COC[C@H](C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)OC ZINC000757638535 644829277 /nfs/dbraw/zinc/82/92/77/644829277.db2.gz QMVUTPGSBFJIOW-JBLDHEPKSA-N 0 3 283.343 2.331 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2[O-] ZINC000757656507 644831597 /nfs/dbraw/zinc/83/15/97/644831597.db2.gz IXCQIBOMCZNEQF-ZYHUDNBSSA-N 0 3 290.342 2.351 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H]2C[C@@H](O)C23CCC3)cc1F ZINC000858191881 645084854 /nfs/dbraw/zinc/08/48/54/645084854.db2.gz DMUUFWCSVLDQGD-LSDHHAIUSA-N 0 3 296.361 2.424 20 10 CECDHN CN(C)c1ccc(CNCc2ccc[nH]c2=O)cc1F ZINC000858304017 645111522 /nfs/dbraw/zinc/11/15/22/645111522.db2.gz CEHRDRCPYXPWPT-UHFFFAOYSA-N 0 3 275.327 2.282 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000760886884 645207409 /nfs/dbraw/zinc/20/74/09/645207409.db2.gz OTPJDYHDOLMNGW-PSOPSSQASA-N 0 3 283.343 2.376 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)S1 ZINC000768465237 646127691 /nfs/dbraw/zinc/12/76/91/646127691.db2.gz DJTZYHQLFUYBAI-ISTVAULSSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@H](C)S1 ZINC000768465237 646127693 /nfs/dbraw/zinc/12/76/93/646127693.db2.gz DJTZYHQLFUYBAI-ISTVAULSSA-N 0 3 295.404 2.144 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC(n2ccnc2)CC1 ZINC000769187874 646221391 /nfs/dbraw/zinc/22/13/91/646221391.db2.gz KQOGCXYBEARXEY-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(C)(O)CC2)c([O-])c1 ZINC000769445855 646267924 /nfs/dbraw/zinc/26/79/24/646267924.db2.gz GYVDKNCTBXVTOK-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000769709731 646304857 /nfs/dbraw/zinc/30/48/57/646304857.db2.gz JKALBZAACSABLZ-DGCLKSJQSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H](NC[C@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101154 646706409 /nfs/dbraw/zinc/70/64/09/646706409.db2.gz ANZKKUGLAARCRC-WFASDCNBSA-N 0 3 298.452 2.226 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](C)S(C)(=O)=O)cc1 ZINC000773104974 646707413 /nfs/dbraw/zinc/70/74/13/646707413.db2.gz PMHJKATVJIKPPW-CHWSQXEVSA-N 0 3 298.452 2.226 20 10 CECDHN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2ccccc2[O-])C1 ZINC000775348198 646944163 /nfs/dbraw/zinc/94/41/63/646944163.db2.gz UIFIKCXKQLQCCG-GXTWGEPZSA-N 0 3 292.379 2.349 20 10 CECDHN CC[C@@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000775409311 646951814 /nfs/dbraw/zinc/95/18/14/646951814.db2.gz DTXJWVIOCZPCNS-DOMZBBRYSA-N 0 3 277.412 2.270 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](O)C(F)(F)F)c([O-])c1 ZINC000865710497 647433049 /nfs/dbraw/zinc/43/30/49/647433049.db2.gz AWBCGMCXYNTHCV-PELKAZGASA-N 0 3 293.285 2.192 20 10 CECDHN CN(CC1([NH+](C)C)CCC1)C(=O)c1cc([O-])cs1 ZINC000783960243 647780967 /nfs/dbraw/zinc/78/09/67/647780967.db2.gz HXEXPABFPXTWSL-UHFFFAOYSA-N 0 3 268.382 2.010 20 10 CECDHN CN(C)C1(CN(C)C(=O)C2=CC(=O)CS2)CCC1 ZINC000783960243 647780971 /nfs/dbraw/zinc/78/09/71/647780971.db2.gz HXEXPABFPXTWSL-UHFFFAOYSA-N 0 3 268.382 2.010 20 10 CECDHN C[C@@H](NC1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866494008 647804890 /nfs/dbraw/zinc/80/48/90/647804890.db2.gz GBUWWMZFOOHNBB-CYBMUJFWSA-N 0 3 297.406 2.082 20 10 CECDHN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ncccc1O ZINC000793257151 648731683 /nfs/dbraw/zinc/73/16/83/648731683.db2.gz QRSOKQOCCXOLSI-UHFFFAOYSA-N 0 3 264.712 2.436 20 10 CECDHN CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649033 651335292 /nfs/dbraw/zinc/33/52/92/651335292.db2.gz JURGEQLKMRCNIW-QJPTWQEYSA-N 0 3 264.369 2.346 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1[O-] ZINC000879653022 651336064 /nfs/dbraw/zinc/33/60/64/651336064.db2.gz KHYRAVCADGDWJI-ZDUSSCGKSA-N 0 3 276.380 2.445 20 10 CECDHN C[NH2+]C[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128326379 651418681 /nfs/dbraw/zinc/41/86/81/651418681.db2.gz YGYRBHKHCCQPKH-SNVBAGLBSA-N 0 3 254.761 2.087 20 10 CECDHN CC[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000883375280 652448412 /nfs/dbraw/zinc/44/84/12/652448412.db2.gz IFMDLCBCUIDFSW-YRGRVCCFSA-N 0 3 297.420 2.317 20 10 CECDHN CCOc1cccc(CN(CC(N)=O)C2CCCC2)c1O ZINC000132991165 652581792 /nfs/dbraw/zinc/58/17/92/652581792.db2.gz WGUMSXMRGPTVGQ-UHFFFAOYSA-N 0 3 292.379 2.021 20 10 CECDHN CCN(CC)C(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000135127542 652936043 /nfs/dbraw/zinc/93/60/43/652936043.db2.gz JCUYZZLMGUIEQJ-CYBMUJFWSA-N 0 3 277.412 2.272 20 10 CECDHN C[C@H]([NH2+]CCC(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000135719426 652980194 /nfs/dbraw/zinc/98/01/94/652980194.db2.gz YNLMTBHAWQJBEF-NSHDSACASA-N 0 3 264.369 2.348 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1ccccc1[O-] ZINC000160140848 806857326 /nfs/dbraw/zinc/85/73/26/806857326.db2.gz GFXSMNUTQTYWTF-DZGCQCFKSA-N 0 3 265.353 2.238 20 10 CECDHN C[NH+](C)C1(C)CN(Cc2c([O-])cccc2Cl)C1 ZINC001140341544 802839927 /nfs/dbraw/zinc/83/99/27/802839927.db2.gz VEZAMUUHMIUZJC-UHFFFAOYSA-N 0 3 254.761 2.182 20 10 CECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)CS(C)(=O)=O ZINC000723878841 802960946 /nfs/dbraw/zinc/96/09/46/802960946.db2.gz OQTZWMASHCJPTK-GFCCVEGCSA-N 0 3 297.420 2.040 20 10 CECDHN Cc1cc(CN2CC[C@]23CCOC3)ccc1N(C)C ZINC001117990518 814973671 /nfs/dbraw/zinc/97/36/71/814973671.db2.gz YVDFXPMPOVVLAJ-MRXNPFEDSA-N 0 3 260.381 2.426 20 10 CECDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037163199 815022055 /nfs/dbraw/zinc/02/20/55/815022055.db2.gz CNXJONOWSYQJEV-JTQLQIEISA-N 0 3 283.331 2.413 20 10 CECDHN CC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000037138306 815027149 /nfs/dbraw/zinc/02/71/49/815027149.db2.gz KWCMVNIZXIZGDJ-GFCCVEGCSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000716758440 815145043 /nfs/dbraw/zinc/14/50/43/815145043.db2.gz MJAVYJKQWFODHR-YPMHNXCESA-N 0 3 274.364 2.054 20 10 CECDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783189 815234950 /nfs/dbraw/zinc/23/49/50/815234950.db2.gz LMFVFKRWNCMAHB-GFCCVEGCSA-N 0 3 273.307 2.494 20 10 CECDHN CCCN1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703394793 809649810 /nfs/dbraw/zinc/64/98/10/809649810.db2.gz MLAVXJZSQSYEHC-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN CCC[N@@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000703394793 809649814 /nfs/dbraw/zinc/64/98/14/809649814.db2.gz MLAVXJZSQSYEHC-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN CCC[N@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000703394793 809649819 /nfs/dbraw/zinc/64/98/19/809649819.db2.gz MLAVXJZSQSYEHC-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN CC1(O)CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000703513564 809653602 /nfs/dbraw/zinc/65/36/02/809653602.db2.gz BDLYFDLXUAGSLB-UHFFFAOYSA-N 0 3 253.317 2.315 20 10 CECDHN C[C@]12C[NH2+]C[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC000703558202 809663002 /nfs/dbraw/zinc/66/30/02/809663002.db2.gz WSQUGDWJQSCSRP-IINYFYTJSA-N 0 3 266.772 2.087 20 10 CECDHN Cc1cc(C)c(C[NH2+][C@@H]2CCN3C(=O)CC[C@@H]3C2)c([O-])c1 ZINC001172163234 815326174 /nfs/dbraw/zinc/32/61/74/815326174.db2.gz UUAORNWVWBIZHC-ZIAGYGMSSA-N 0 3 288.391 2.252 20 10 CECDHN CON1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000709288816 809959310 /nfs/dbraw/zinc/95/93/10/809959310.db2.gz YXMNNTYIMUOIRZ-LLVKDONJSA-N 0 3 250.342 2.069 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)O ZINC001169755499 811655237 /nfs/dbraw/zinc/65/52/37/811655237.db2.gz YEIPVVKVCCDSQV-OAHLLOKOSA-N 0 3 281.396 2.126 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)O ZINC001169755499 811655240 /nfs/dbraw/zinc/65/52/40/811655240.db2.gz YEIPVVKVCCDSQV-OAHLLOKOSA-N 0 3 281.396 2.126 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001170559624 812668127 /nfs/dbraw/zinc/66/81/27/812668127.db2.gz CJGMKNLEZMCNFC-DGCLKSJQSA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001170559624 812668131 /nfs/dbraw/zinc/66/81/31/812668131.db2.gz CJGMKNLEZMCNFC-DGCLKSJQSA-N 0 3 263.337 2.166 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2CC(=O)N(CC)C2)cc1 ZINC000391475146 813285920 /nfs/dbraw/zinc/28/59/20/813285920.db2.gz OAYJOYJAGWTNIC-HNNXBMFYSA-N 0 3 289.423 2.243 20 10 CECDHN COc1cc(CNCc2cc(OC)ccc2O)sn1 ZINC000399102671 813695549 /nfs/dbraw/zinc/69/55/49/813695549.db2.gz FXWZEHLIKJWKCD-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173122145 815586518 /nfs/dbraw/zinc/58/65/18/815586518.db2.gz UEIXXMSGWBDJSI-LLVKDONJSA-N 0 3 260.362 2.496 20 10 CECDHN COC(=O)c1cccc(Nc2ccncc2C)c1O ZINC001174539136 816026183 /nfs/dbraw/zinc/02/61/83/816026183.db2.gz FOUFPKZWXLYBRG-UHFFFAOYSA-N 0 3 258.277 2.048 20 10 CECDHN CN1CC2(C1)CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139686270 816083552 /nfs/dbraw/zinc/08/35/52/816083552.db2.gz RTHZHWYIUBJUND-UHFFFAOYSA-N 0 3 282.334 2.198 20 10 CECDHN O=C1CCC[C@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC001140053778 816177714 /nfs/dbraw/zinc/17/77/14/816177714.db2.gz CWPQVARGYNSGST-MRXNPFEDSA-N 0 3 292.354 2.166 20 10 CECDHN O=C1CCC[C@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)N1 ZINC001140053778 816177718 /nfs/dbraw/zinc/17/77/18/816177718.db2.gz CWPQVARGYNSGST-MRXNPFEDSA-N 0 3 292.354 2.166 20 10 CECDHN CCOC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140059995 816181035 /nfs/dbraw/zinc/18/10/35/816181035.db2.gz FSZVGUGIOGGZED-UHFFFAOYSA-N 0 3 296.342 2.242 20 10 CECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058953 816181564 /nfs/dbraw/zinc/18/15/64/816181564.db2.gz QSUZFNLWYSOAHQ-MJVIPROJSA-N 0 3 293.338 2.305 20 10 CECDHN COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058953 816181568 /nfs/dbraw/zinc/18/15/68/816181568.db2.gz QSUZFNLWYSOAHQ-MJVIPROJSA-N 0 3 293.338 2.305 20 10 CECDHN Cc1ccc(C)c(CN2CCO[C@]3(CCOC3)C2)c1O ZINC001140178633 816204408 /nfs/dbraw/zinc/20/44/08/816204408.db2.gz RPWXMWKEGFZURS-MRXNPFEDSA-N 0 3 277.364 2.000 20 10 CECDHN Cc1ccc(C)c(CN2CCN(c3ncccn3)CC2)c1O ZINC001140181528 816205318 /nfs/dbraw/zinc/20/53/18/816205318.db2.gz WEBANEXWVLCJFR-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CCN1CCN(c2ccc(CN3CC(F)(F)C3)cc2)CC1 ZINC001140300417 816227388 /nfs/dbraw/zinc/22/73/88/816227388.db2.gz OVGMCQFKURFRRD-UHFFFAOYSA-N 0 3 295.377 2.279 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC001140950732 816424016 /nfs/dbraw/zinc/42/40/16/816424016.db2.gz GAEMKPYIYXFUBJ-JSGCOSHPSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC001140950732 816424020 /nfs/dbraw/zinc/42/40/20/816424020.db2.gz GAEMKPYIYXFUBJ-JSGCOSHPSA-N 0 3 277.364 2.474 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCOC3=O)CC2)c([O-])c1 ZINC001140958121 816425416 /nfs/dbraw/zinc/42/54/16/816425416.db2.gz RDPFKVWIEBUWHE-UHFFFAOYSA-N 0 3 275.348 2.230 20 10 CECDHN COc1cc(O)c(CN2CC[C@@H]3CCO[C@H]3C2)c(OC)c1 ZINC001141026648 816449353 /nfs/dbraw/zinc/44/93/53/816449353.db2.gz YGTWJALJUGMHCW-BZNIZROVSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031817 816453121 /nfs/dbraw/zinc/45/31/21/816453121.db2.gz MVMXCGOICCCRFQ-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c(OC)c1 ZINC001141031817 816453123 /nfs/dbraw/zinc/45/31/23/816453123.db2.gz MVMXCGOICCCRFQ-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000042814608 362121928 /nfs/dbraw/zinc/12/19/28/362121928.db2.gz OMIOBCDNGYYNRB-ZDUSSCGKSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](OC)C(C)C)c1[O-] ZINC000072924437 343815111 /nfs/dbraw/zinc/81/51/11/343815111.db2.gz CHAWRVVRMLUNQW-CYBMUJFWSA-N 0 3 253.342 2.161 20 10 CECDHN CCOCCN1CCCN(c2ccc(OC)cc2)CC1 ZINC000076851348 343901068 /nfs/dbraw/zinc/90/10/68/343901068.db2.gz HJPODUBTNOOOLW-UHFFFAOYSA-N 0 3 278.396 2.244 20 10 CECDHN COc1cccc(C[NH2+]C[C@](C)(O)c2ccsc2)c1[O-] ZINC000077460797 343920821 /nfs/dbraw/zinc/92/08/21/343920821.db2.gz WUJNVJPTBKDBBG-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CC(C)(C)O)c([O-])c1 ZINC000093414659 344223051 /nfs/dbraw/zinc/22/30/51/344223051.db2.gz XCXILYAHWNQOIP-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CC(C)(C)O)c([O-])c1 ZINC000093414659 344223053 /nfs/dbraw/zinc/22/30/53/344223053.db2.gz XCXILYAHWNQOIP-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCOc1cccc(CN2CCN(C)CC2(C)C)c1O ZINC000093457300 344224523 /nfs/dbraw/zinc/22/45/23/344224523.db2.gz AHOAFFNAXBDXCF-UHFFFAOYSA-N 0 3 278.396 2.317 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC(C)(C)O)c1 ZINC000271818706 344667450 /nfs/dbraw/zinc/66/74/50/344667450.db2.gz NLLUBSFCRRTFNZ-SNVBAGLBSA-N 0 3 253.342 2.212 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@](C)(O)C2)cc1F ZINC000129463268 365860353 /nfs/dbraw/zinc/86/03/53/365860353.db2.gz UDCKNEMCKPIZEW-HNNXBMFYSA-N 0 3 266.360 2.239 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000077204633 363546675 /nfs/dbraw/zinc/54/66/75/363546675.db2.gz VBCLNJXEGIFHHK-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1cccc(C[NH2+]C(C)(C)CCO)c1[O-] ZINC000135227979 366412495 /nfs/dbraw/zinc/41/24/95/366412495.db2.gz AYMUCIFPUNMGRA-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN NC(=O)c1cccc(CC[NH2+][C@H]2CCc3cccc([O-])c32)c1 ZINC000296847782 283383196 /nfs/dbraw/zinc/38/31/96/283383196.db2.gz NBZQOARVIHZRSP-HNNXBMFYSA-N 0 3 296.370 2.311 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CCOCC2)c1 ZINC000104190172 364684058 /nfs/dbraw/zinc/68/40/58/364684058.db2.gz QDWOWQOPYJDJCA-LLVKDONJSA-N 0 3 265.353 2.478 20 10 CECDHN COCCOC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000180201038 368372033 /nfs/dbraw/zinc/37/20/33/368372033.db2.gz YVQNTWSFILCUKC-UHFFFAOYSA-N 0 3 279.380 2.328 20 10 CECDHN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000179895937 368357111 /nfs/dbraw/zinc/35/71/11/368357111.db2.gz SEODMLLVZASLGJ-AAEUAGOBSA-N 0 3 262.353 2.052 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1OC ZINC000180618215 368389497 /nfs/dbraw/zinc/38/94/97/368389497.db2.gz KCAGWZYSMZFMBA-OAHLLOKOSA-N 0 3 297.395 2.248 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H](CO)C(C)(C)C)cc1OC ZINC000180618215 368389503 /nfs/dbraw/zinc/38/95/03/368389503.db2.gz KCAGWZYSMZFMBA-OAHLLOKOSA-N 0 3 297.395 2.248 20 10 CECDHN COc1cccc(CN[C@H]2CCCc3c[nH]nc32)c1O ZINC000268871102 372265810 /nfs/dbraw/zinc/26/58/10/372265810.db2.gz VFXHCNQTZKLAEJ-LBPRGKRZSA-N 0 3 273.336 2.291 20 10 CECDHN COC(=O)C[C@H]1CCCN1Cc1ccc(N(C)C)c(F)c1 ZINC000271162732 373154173 /nfs/dbraw/zinc/15/41/73/373154173.db2.gz AZWSDDHJRVSYFH-CYBMUJFWSA-N 0 3 294.370 2.419 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC3(C2)CCOCC3)c1 ZINC000271795663 373201156 /nfs/dbraw/zinc/20/11/56/373201156.db2.gz KAJCYJUTOKVKDB-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC3(C2)CCOCC3)c1 ZINC000271795663 373201164 /nfs/dbraw/zinc/20/11/64/373201164.db2.gz KAJCYJUTOKVKDB-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CC2(C)C)cc1OC ZINC000272082941 373297698 /nfs/dbraw/zinc/29/76/98/373297698.db2.gz LSVDJUOHERAICG-ZDUSSCGKSA-N 0 3 251.326 2.298 20 10 CECDHN NC(=O)CCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272257905 373390221 /nfs/dbraw/zinc/39/02/21/373390221.db2.gz JOAGXCZWQJSVHY-UHFFFAOYSA-N 0 3 280.343 2.009 20 10 CECDHN COc1cccc(C[NH+]2CCC(C)(OC)CC2)c1[O-] ZINC000272379257 373456651 /nfs/dbraw/zinc/45/66/51/373456651.db2.gz RCXMQYROADHFNB-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CN1CC[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000272611760 373580446 /nfs/dbraw/zinc/58/04/46/373580446.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])[C@@H]2C1 ZINC000272611760 373580455 /nfs/dbraw/zinc/58/04/55/373580455.db2.gz KMDFKDDCTRXLOP-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CCOc1cccc(CN2CCOC[C@H](C)C2)c1O ZINC000370187144 373600601 /nfs/dbraw/zinc/60/06/01/373600601.db2.gz WAQPAKWXCOHZQD-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000370187144 373600602 /nfs/dbraw/zinc/60/06/02/373600602.db2.gz WAQPAKWXCOHZQD-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000370187144 373600606 /nfs/dbraw/zinc/60/06/06/373600606.db2.gz WAQPAKWXCOHZQD-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1C ZINC000273379303 373753623 /nfs/dbraw/zinc/75/36/23/373753623.db2.gz HVOUXOVEEPISAC-ZFWWWQNUSA-N 0 3 292.423 2.380 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273414876 373755532 /nfs/dbraw/zinc/75/55/32/373755532.db2.gz QPWVFEVMCXYDGC-NWDGAFQWSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1ccc([C@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273499681 373759392 /nfs/dbraw/zinc/75/93/92/373759392.db2.gz PTWZNTVAUBHNOX-WFASDCNBSA-N 0 3 289.379 2.127 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516863 373762600 /nfs/dbraw/zinc/76/26/00/373762600.db2.gz SSHFQHLKPVQLAD-NEPJUHHUSA-N 0 3 292.379 2.061 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516863 373762608 /nfs/dbraw/zinc/76/26/08/373762608.db2.gz SSHFQHLKPVQLAD-NEPJUHHUSA-N 0 3 292.379 2.061 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273581533 373765285 /nfs/dbraw/zinc/76/52/85/373765285.db2.gz MTLGGLRZRUQPDU-CZUORRHYSA-N 0 3 281.396 2.447 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000281726197 375394758 /nfs/dbraw/zinc/39/47/58/375394758.db2.gz UVMRRJBNWIPSIL-OLZOCXBDSA-N 0 3 267.369 2.057 20 10 CECDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000281158306 375358776 /nfs/dbraw/zinc/35/87/76/375358776.db2.gz PMDNNDCCQPNDPF-OAHLLOKOSA-N 0 3 296.798 2.312 20 10 CECDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000281158306 375358785 /nfs/dbraw/zinc/35/87/85/375358785.db2.gz PMDNNDCCQPNDPF-OAHLLOKOSA-N 0 3 296.798 2.312 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000282533525 375510140 /nfs/dbraw/zinc/51/01/40/375510140.db2.gz VIBAEMCZHPYXCG-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1=O ZINC000282533525 375510143 /nfs/dbraw/zinc/51/01/43/375510143.db2.gz VIBAEMCZHPYXCG-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN COC[C@@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-])OC ZINC000285115155 375836278 /nfs/dbraw/zinc/83/62/78/375836278.db2.gz KVYFNQKFLXAZEB-CHWSQXEVSA-N 0 3 267.369 2.321 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCC2(O)CCOCC2)cc1C ZINC000285655881 375841993 /nfs/dbraw/zinc/84/19/93/375841993.db2.gz YRPPCCZHADDHGG-UHFFFAOYSA-N 0 3 279.380 2.030 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000287128172 376156419 /nfs/dbraw/zinc/15/64/19/376156419.db2.gz RNOVYVBSQJIANP-QWHCGFSZSA-N 0 3 297.420 2.176 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCS(=O)(=O)C2)c1 ZINC000287166522 376163976 /nfs/dbraw/zinc/16/39/76/376163976.db2.gz UHBWVHZTIOZGKJ-CHWSQXEVSA-N 0 3 297.420 2.176 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1COc3ccccc31)OCO2 ZINC000288434354 376377453 /nfs/dbraw/zinc/37/74/53/376377453.db2.gz BUHSOLFETWJCML-LBPRGKRZSA-N 0 3 299.326 2.387 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293602199 377650846 /nfs/dbraw/zinc/65/08/46/377650846.db2.gz DMUSMZHDSNKPMH-BMIGLBTASA-N 0 3 265.353 2.476 20 10 CECDHN COC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295094329 378042016 /nfs/dbraw/zinc/04/20/16/378042016.db2.gz JRIIQRZIJDRTOU-INIZCTEOSA-N 0 3 295.379 2.268 20 10 CECDHN COC[C@@]1(C)CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000295094329 378042017 /nfs/dbraw/zinc/04/20/17/378042017.db2.gz JRIIQRZIJDRTOU-INIZCTEOSA-N 0 3 295.379 2.268 20 10 CECDHN CCn1cc([C@@H](C)NCc2cc3c(cc2O)OCO3)cn1 ZINC000294862207 378025560 /nfs/dbraw/zinc/02/55/60/378025560.db2.gz OKHPFIFHFVLRHN-SNVBAGLBSA-N 0 3 289.335 2.188 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000228089679 394474059 /nfs/dbraw/zinc/47/40/59/394474059.db2.gz LQJBFODDOCXRIV-NEPJUHHUSA-N 0 3 292.379 2.062 20 10 CECDHN CCCOc1ccc(C[NH2+][C@]2(C)CCOC2)c([O-])c1 ZINC000120150601 394775966 /nfs/dbraw/zinc/77/59/66/394775966.db2.gz YHPZWCMYYGFZAB-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN CCOc1cccc(CN(C)C[C@H]2CCCO2)c1O ZINC000132964861 394942096 /nfs/dbraw/zinc/94/20/96/394942096.db2.gz ZQEFJYNVYMFWFS-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1OC ZINC000373234108 395056653 /nfs/dbraw/zinc/05/66/53/395056653.db2.gz UYHVLIVEBMTBSE-SMDDNHRTSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)cc1OC ZINC000373234108 395056658 /nfs/dbraw/zinc/05/66/58/395056658.db2.gz UYHVLIVEBMTBSE-SMDDNHRTSA-N 0 3 293.363 2.020 20 10 CECDHN CC[C@H]1CN(Cc2cc(C)ccc2O)C[C@@]2(CCOC2)O1 ZINC000373498658 395061342 /nfs/dbraw/zinc/06/13/42/395061342.db2.gz ZYPMJJNGZUFKNJ-DOTOQJQBSA-N 0 3 291.391 2.471 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000374282963 395078908 /nfs/dbraw/zinc/07/89/08/395078908.db2.gz KCOIFDHMTJSNGG-UBHSHLNASA-N 0 3 274.364 2.011 20 10 CECDHN NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[O-] ZINC000374282963 395078909 /nfs/dbraw/zinc/07/89/09/395078909.db2.gz KCOIFDHMTJSNGG-UBHSHLNASA-N 0 3 274.364 2.011 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)c1 ZINC000168840162 395088956 /nfs/dbraw/zinc/08/89/56/395088956.db2.gz RCYJNUVGLHCXJD-ADWYPQAOSA-N 0 3 285.409 2.209 20 10 CECDHN Cc1cccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372127403 395035275 /nfs/dbraw/zinc/03/52/75/395035275.db2.gz BJRAQHPQHXEBOR-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN Cc1cccc(C[N@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000372127403 395035279 /nfs/dbraw/zinc/03/52/79/395035279.db2.gz BJRAQHPQHXEBOR-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN CO[C@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000174137472 395120386 /nfs/dbraw/zinc/12/03/86/395120386.db2.gz ZUGLWJSAXKVUPF-GDBMZVCRSA-N 0 3 293.363 2.414 20 10 CECDHN CC[C@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(C)C ZINC000178006956 395159853 /nfs/dbraw/zinc/15/98/53/395159853.db2.gz LHVWFRRBSXEEAZ-MRXNPFEDSA-N 0 3 291.439 2.489 20 10 CECDHN COC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293539614 395239172 /nfs/dbraw/zinc/23/91/72/395239172.db2.gz QDOKVDOGLFBFRI-UHFFFAOYSA-N 0 3 290.407 2.446 20 10 CECDHN C[C@H](CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])C[NH+](C)C ZINC000293604076 395243510 /nfs/dbraw/zinc/24/35/10/395243510.db2.gz IYYJJECKPPCFQC-MNOVXSKESA-N 0 3 281.356 2.149 20 10 CECDHN CC1([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)OCCO1 ZINC000183240015 395254559 /nfs/dbraw/zinc/25/45/59/395254559.db2.gz CNZHFHDKOXGWLI-AWEZNQCLSA-N 0 3 277.364 2.367 20 10 CECDHN CC1([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)OCCO1 ZINC000183240015 395254563 /nfs/dbraw/zinc/25/45/63/395254563.db2.gz CNZHFHDKOXGWLI-AWEZNQCLSA-N 0 3 277.364 2.367 20 10 CECDHN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183395154 395256725 /nfs/dbraw/zinc/25/67/25/395256725.db2.gz NVQMOTGOVJXQCD-GOEBONIOSA-N 0 3 292.423 2.400 20 10 CECDHN Cc1cc(Cl)cc(C[NH+]2CCC(C(N)=O)CC2)c1[O-] ZINC000183468290 395258133 /nfs/dbraw/zinc/25/81/33/395258133.db2.gz MYWJYZWDFSNSAZ-UHFFFAOYSA-N 0 3 282.771 2.051 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183565279 395259444 /nfs/dbraw/zinc/25/94/44/395259444.db2.gz NAKMHBUUNRDXIB-RYUDHWBXSA-N 0 3 262.353 2.054 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000294132917 395267073 /nfs/dbraw/zinc/26/70/73/395267073.db2.gz UPNHAGDTXXOAHJ-GFCCVEGCSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000294132917 395267077 /nfs/dbraw/zinc/26/70/77/395267077.db2.gz UPNHAGDTXXOAHJ-GFCCVEGCSA-N 0 3 285.771 2.401 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000019963568 170945326 /nfs/dbraw/zinc/94/53/26/170945326.db2.gz MLYHXVQHBVONQZ-LBPRGKRZSA-N 0 3 251.326 2.060 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1 ZINC000020122465 171002844 /nfs/dbraw/zinc/00/28/44/171002844.db2.gz DYJMFHWHBLTQMF-AWEZNQCLSA-N 0 3 290.363 2.386 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1[O-] ZINC000020206676 171071580 /nfs/dbraw/zinc/07/15/80/171071580.db2.gz BNZNDJYMDCJRCN-PWSUYJOCSA-N 0 3 251.326 2.058 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000020208963 171073361 /nfs/dbraw/zinc/07/33/61/171073361.db2.gz ASOCTUIMADJRAU-IINYFYTJSA-N 0 3 251.326 2.058 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088603 174101780 /nfs/dbraw/zinc/10/17/80/174101780.db2.gz DAXLOCSNWZXRGZ-WDEREUQCSA-N 0 3 252.358 2.002 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155739842 261106778 /nfs/dbraw/zinc/10/67/78/261106778.db2.gz JECCOCMWKMKBRY-HOCLYGCPSA-N 0 3 291.439 2.069 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185317369 262050791 /nfs/dbraw/zinc/05/07/91/262050791.db2.gz MEVRBKFAIOPGEU-DGCLKSJQSA-N 0 3 286.379 2.266 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000186443139 262093474 /nfs/dbraw/zinc/09/34/74/262093474.db2.gz IIUHGQFNEBRJST-RYUDHWBXSA-N 0 3 278.352 2.274 20 10 CECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000186566999 262100061 /nfs/dbraw/zinc/10/00/61/262100061.db2.gz ANKDEIFTQFDTMM-HUUCEWRRSA-N 0 3 291.439 2.069 20 10 CECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000186597698 262101921 /nfs/dbraw/zinc/10/19/21/262101921.db2.gz JFUAXCZFDKHORA-HOCLYGCPSA-N 0 3 279.380 2.048 20 10 CECDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000186817137 262110993 /nfs/dbraw/zinc/11/09/93/262110993.db2.gz RKZTUJLKPLMATQ-ZDUSSCGKSA-N 0 3 277.412 2.272 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185467121 262305124 /nfs/dbraw/zinc/30/51/24/262305124.db2.gz RMQAWVNUUXPQNI-WFASDCNBSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1cccc(C[NH2+]CCCN2CCCO[C@H](C)C2)c1[O-] ZINC000277577983 263041978 /nfs/dbraw/zinc/04/19/78/263041978.db2.gz TUJPWHJOAUFURD-OAHLLOKOSA-N 0 3 292.423 2.291 20 10 CECDHN Cc1cccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c1[O-] ZINC000277577977 263042049 /nfs/dbraw/zinc/04/20/49/263042049.db2.gz TUJPWHJOAUFURD-HNNXBMFYSA-N 0 3 292.423 2.291 20 10 CECDHN C[C@H](CO[C@H]1CCOC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297944513 263212900 /nfs/dbraw/zinc/21/29/00/263212900.db2.gz YIKIVNRQKBWCEV-XBFCOCLRSA-N 0 3 277.364 2.163 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)[C@H]1CCCCNC1=O ZINC000368021858 267136246 /nfs/dbraw/zinc/13/62/46/267136246.db2.gz MPZOSYBBUWJYFH-KBPBESRZSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)[C@H]1CCCCNC1=O ZINC000368021858 267136250 /nfs/dbraw/zinc/13/62/50/267136250.db2.gz MPZOSYBBUWJYFH-KBPBESRZSA-N 0 3 276.380 2.444 20 10 CECDHN COc1cccc(CN2CCOCC[C@H]2C)c1O ZINC000368143005 267148498 /nfs/dbraw/zinc/14/84/98/267148498.db2.gz OSYZJXXWAYGYMM-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN(C2CC2)CCO1)c1cc(F)ccc1[O-] ZINC000368329427 267163071 /nfs/dbraw/zinc/16/30/71/267163071.db2.gz DBUUUDXGXKJECY-FZMZJTMJSA-N 0 3 294.370 2.045 20 10 CECDHN CC(C)[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000368393576 267167956 /nfs/dbraw/zinc/16/79/56/267167956.db2.gz PKGGYNNATUHNNI-KRWDZBQOSA-N 0 3 274.408 2.469 20 10 CECDHN CCN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295819087 276152158 /nfs/dbraw/zinc/15/21/58/276152158.db2.gz DFJLXMAMRWTLOP-AWEZNQCLSA-N 0 3 260.381 2.453 20 10 CECDHN CC[C@H](c1ccccc1O)N1CCc2nnc(N)cc2C1 ZINC000364627314 281025478 /nfs/dbraw/zinc/02/54/78/281025478.db2.gz DFLZKXPICYLVPF-CQSZACIVSA-N 0 3 284.363 2.104 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037155341 295168352 /nfs/dbraw/zinc/16/83/52/295168352.db2.gz PYSBDYJKCMVGAY-NEPJUHHUSA-N 0 3 275.352 2.337 20 10 CECDHN CN(CCNC(=O)OC(C)(C)C)Cc1cc(F)ccc1O ZINC000295892565 328287815 /nfs/dbraw/zinc/28/78/15/328287815.db2.gz BMWVWNDNXYVROG-UHFFFAOYSA-N 0 3 298.358 2.488 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CCCO)c1 ZINC000294863027 327576426 /nfs/dbraw/zinc/57/64/26/327576426.db2.gz TZDRTLOOZMMCMP-NEPJUHHUSA-N 0 3 267.369 2.460 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000295006885 327592976 /nfs/dbraw/zinc/59/29/76/327592976.db2.gz JCGVNXQMAAGQLO-NSHDSACASA-N 0 3 267.369 2.430 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000378459981 329051470 /nfs/dbraw/zinc/05/14/70/329051470.db2.gz UZWFNWGBVYKCEK-ZBFHGGJFSA-N 0 3 277.364 2.128 20 10 CECDHN CC1(C)OC[C@H]2C[C@]21NCc1ccc2c(c1)CCO2 ZINC000527767086 330281779 /nfs/dbraw/zinc/28/17/79/330281779.db2.gz RWOPHOCPVFZMOH-CJNGLKHVSA-N 0 3 259.349 2.279 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000224930061 333227463 /nfs/dbraw/zinc/22/74/63/333227463.db2.gz QOGSODXYHOWUFA-ZFWWWQNUSA-N 0 3 263.337 2.058 20 10 CECDHN c1cc(CN[C@@H]2CCO[C@@H]2C2CC2)cc2c1OCC2 ZINC000230313463 333316495 /nfs/dbraw/zinc/31/64/95/333316495.db2.gz VFKUUJGRPVGDTJ-GDBMZVCRSA-N 0 3 259.349 2.279 20 10 CECDHN [O-]c1cccc2c1[C@H](N[C@@H]1CC[NH2+]C13CCC3)CC2 ZINC000530217567 333528388 /nfs/dbraw/zinc/52/83/88/333528388.db2.gz UAVNJYAOGDBZSK-TZMCWYRMSA-N 0 3 258.365 2.254 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)C2CCOCC2)c1[O-] ZINC000134496319 334092090 /nfs/dbraw/zinc/09/20/90/334092090.db2.gz MWYJZXGRQQUYNO-NSHDSACASA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccccc1[O-] ZINC000252563683 334382731 /nfs/dbraw/zinc/38/27/31/334382731.db2.gz XLXYGFSLQLLGIG-DZKIICNBSA-N 0 3 290.407 2.296 20 10 CECDHN C[C@@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000272653085 334755264 /nfs/dbraw/zinc/75/52/64/334755264.db2.gz QDKXUGQSFOVANK-MNOVXSKESA-N 0 3 253.317 2.436 20 10 CECDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@H](C)OC ZINC000291273020 521292012 /nfs/dbraw/zinc/29/20/12/521292012.db2.gz ZORJRANJGDRWSI-NSHDSACASA-N 0 3 283.368 2.266 20 10 CECDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@H](C)OC ZINC000291273020 521292028 /nfs/dbraw/zinc/29/20/28/521292028.db2.gz ZORJRANJGDRWSI-NSHDSACASA-N 0 3 283.368 2.266 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000278589023 521652770 /nfs/dbraw/zinc/65/27/70/521652770.db2.gz YUGWFFDRBDESDV-VEAWUBTESA-N 0 3 279.380 2.281 20 10 CECDHN CCOCCOCCN(C)Cc1cccc(OCC)c1O ZINC000276155363 519994417 /nfs/dbraw/zinc/99/44/17/519994417.db2.gz GWIHGVKHCGCZOI-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)Cn2cncn2)cc1 ZINC000269012585 520287114 /nfs/dbraw/zinc/28/71/14/520287114.db2.gz NYHKHHDNNQQBGS-ZIAGYGMSSA-N 0 3 287.411 2.474 20 10 CECDHN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000278797436 521315709 /nfs/dbraw/zinc/31/57/09/521315709.db2.gz XGJSYFLQOUQKRR-MRXNPFEDSA-N 0 3 293.363 2.248 20 10 CECDHN CCC[C@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000278797436 521315714 /nfs/dbraw/zinc/31/57/14/521315714.db2.gz XGJSYFLQOUQKRR-MRXNPFEDSA-N 0 3 293.363 2.248 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)/C=C/CN(C)C ZINC000264635983 521316224 /nfs/dbraw/zinc/31/62/24/521316224.db2.gz PBURGOSJEXURLR-BQYQJAHWSA-N 0 3 289.423 2.219 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000278472664 521652982 /nfs/dbraw/zinc/65/29/82/521652982.db2.gz NYMCXCCLLQSHOV-UGWHAMFMSA-N 0 3 279.380 2.363 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@H](C)c2ccccc2[O-])CCC1 ZINC000277382261 521733475 /nfs/dbraw/zinc/73/34/75/521733475.db2.gz XSMHOHADKGLQCN-GFCCVEGCSA-N 0 3 276.380 2.349 20 10 CECDHN CN(C)c1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000292971046 522212839 /nfs/dbraw/zinc/21/28/39/522212839.db2.gz KFYXBUCBWLRYGM-KRWDZBQOSA-N 0 3 297.402 2.459 20 10 CECDHN CC[C@@H](CNCc1ccc(N(C)C)c(F)c1)OC ZINC000289795110 522547238 /nfs/dbraw/zinc/54/72/38/522547238.db2.gz LTLXLMMCJAXAAM-LBPRGKRZSA-N 0 3 254.349 2.406 20 10 CECDHN CC[C@H]([NH2+]C1CN(C(=O)OC)C1)c1ccc(C)cc1[O-] ZINC000280083175 522564278 /nfs/dbraw/zinc/56/42/78/522564278.db2.gz LWIZDPLVAHIVQY-ZDUSSCGKSA-N 0 3 278.352 2.192 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280263809 522691768 /nfs/dbraw/zinc/69/17/68/522691768.db2.gz XJJHEXLGXUUGKH-JSGCOSHPSA-N 0 3 274.368 2.422 20 10 CECDHN CC[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802953 522945580 /nfs/dbraw/zinc/94/55/80/522945580.db2.gz DZXNSTASFIFWFY-DZGCQCFKSA-N 0 3 275.396 2.024 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C)cc1[O-] ZINC000279990246 522946808 /nfs/dbraw/zinc/94/68/08/522946808.db2.gz FGUZHFRIMZETNF-KGLIPLIRSA-N 0 3 276.380 2.410 20 10 CECDHN CC[C@H](C)NC(=O)CCNCc1ccc(OC)c(C)c1 ZINC000037997312 523968740 /nfs/dbraw/zinc/96/87/40/523968740.db2.gz RPWDULQMQHKLBK-ZDUSSCGKSA-N 0 3 278.396 2.398 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c(=O)n1C ZINC000279513633 524602733 /nfs/dbraw/zinc/60/27/33/524602733.db2.gz NTQARQARFLSHBD-LLVKDONJSA-N 0 3 290.338 2.389 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036977559 525362172 /nfs/dbraw/zinc/36/21/72/525362172.db2.gz HJHIIHJGSTVFPU-DGCLKSJQSA-N 0 3 262.353 2.020 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000273383848 525406227 /nfs/dbraw/zinc/40/62/27/525406227.db2.gz IVOFPZIJKWOLMX-AAEUAGOBSA-N 0 3 298.814 2.153 20 10 CECDHN CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000130987862 525714379 /nfs/dbraw/zinc/71/43/79/525714379.db2.gz PRLGXGITNRZAOD-LLVKDONJSA-N 0 3 281.377 2.448 20 10 CECDHN CSC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000130987862 525714393 /nfs/dbraw/zinc/71/43/93/525714393.db2.gz PRLGXGITNRZAOD-LLVKDONJSA-N 0 3 281.377 2.448 20 10 CECDHN COc1cccc(CNCc2scnc2C)c1O ZINC000071212462 526025628 /nfs/dbraw/zinc/02/56/28/526025628.db2.gz SVVYNGMBLWBHEZ-UHFFFAOYSA-N 0 3 264.350 2.456 20 10 CECDHN Cc1nnc(CC[NH2+]Cc2cccc(C)c2[O-])s1 ZINC000291614013 526329228 /nfs/dbraw/zinc/32/92/28/526329228.db2.gz RDYIIEPIVWPZGT-UHFFFAOYSA-N 0 3 263.366 2.193 20 10 CECDHN CNC(=O)CC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204507 574614601 /nfs/dbraw/zinc/61/46/01/574614601.db2.gz LQGNHXBVYQXUKO-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN CNC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204507 574614603 /nfs/dbraw/zinc/61/46/03/574614603.db2.gz LQGNHXBVYQXUKO-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000756731961 574822609 /nfs/dbraw/zinc/82/26/09/574822609.db2.gz DTKNRUWXINVLMI-STQMWFEESA-N 0 3 267.369 2.403 20 10 CECDHN COC(=O)CC(C)(C)NCc1ccc(OC)c(C)c1 ZINC000741255401 574979400 /nfs/dbraw/zinc/97/94/00/574979400.db2.gz WKAGTJAQHUADER-UHFFFAOYSA-N 0 3 265.353 2.435 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCc2nnc3ccccn32)cc1C ZINC000742366083 575017012 /nfs/dbraw/zinc/01/70/12/575017012.db2.gz HEVNMCIKRSZEOO-UHFFFAOYSA-N 0 3 296.374 2.384 20 10 CECDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743536496 575106189 /nfs/dbraw/zinc/10/61/89/575106189.db2.gz KYBVIOOJAJVIST-ZJUUUORDSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@@H]1C[C@@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743536496 575106190 /nfs/dbraw/zinc/10/61/90/575106190.db2.gz KYBVIOOJAJVIST-ZJUUUORDSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@@H]1C[C@@H](N(C)C(=O)C2=CC(=O)CS2)CCN1C ZINC000743536496 575106191 /nfs/dbraw/zinc/10/61/91/575106191.db2.gz KYBVIOOJAJVIST-ZJUUUORDSA-N 0 3 268.382 2.008 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000747098892 575167205 /nfs/dbraw/zinc/16/72/05/575167205.db2.gz CXDKJKRAWJDGEI-LBPRGKRZSA-N 0 3 277.320 2.207 20 10 CECDHN C[C@@H](Cc1ccncc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000749294323 575212847 /nfs/dbraw/zinc/21/28/47/575212847.db2.gz GIZOZBAVDJLIFM-NSHDSACASA-N 0 3 286.331 2.237 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C1(CCO)CCCCC1)OCO2 ZINC000751153556 575283399 /nfs/dbraw/zinc/28/33/99/575283399.db2.gz RTAWNBRQZFVKNJ-UHFFFAOYSA-N 0 3 293.363 2.296 20 10 CECDHN COc1ccc(C[N@H+](CCCCO)C2CC2)c([O-])c1OC ZINC000892036328 624267807 /nfs/dbraw/zinc/26/78/07/624267807.db2.gz UDJMAUGOCDPDOJ-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1ccc(C[N@@H+](CCCCO)C2CC2)c([O-])c1OC ZINC000892036328 624267808 /nfs/dbraw/zinc/26/78/08/624267808.db2.gz UDJMAUGOCDPDOJ-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000743499721 624787976 /nfs/dbraw/zinc/78/79/76/624787976.db2.gz PVTZIAQXPLAPAF-ZYHUDNBSSA-N 0 3 281.352 2.008 20 10 CECDHN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(F)ccc1[O-] ZINC000829208203 624839851 /nfs/dbraw/zinc/83/98/51/624839851.db2.gz GYGCUPPLXLMMQJ-NXEZZACHSA-N 0 3 253.317 2.343 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000725847436 625784705 /nfs/dbraw/zinc/78/47/05/625784705.db2.gz MGJPJGKQJGPSGQ-ZDUSSCGKSA-N 0 3 299.374 2.146 20 10 CECDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902475963 634667691 /nfs/dbraw/zinc/66/76/91/634667691.db2.gz KNXOWKRSVVRPNC-YPWHJJHSSA-N 0 3 250.317 2.075 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C)cc1[O-] ZINC000794800016 629323026 /nfs/dbraw/zinc/32/30/26/629323026.db2.gz BFEMEYPHCDPTPZ-KBPBESRZSA-N 0 3 276.380 2.362 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794809079 629326265 /nfs/dbraw/zinc/32/62/65/629326265.db2.gz QGEFLXLYNCWPQD-GDBMZVCRSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@H]([NH2+]CC(=O)NCC1CC1)c1ccc(C)cc1[O-] ZINC000794819362 629327837 /nfs/dbraw/zinc/32/78/37/629327837.db2.gz VJFYTMLNFYLPDN-AWEZNQCLSA-N 0 3 276.380 2.268 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c([O-])c1 ZINC000897258531 631024096 /nfs/dbraw/zinc/02/40/96/631024096.db2.gz UBZPCFOBKWPADA-HNNXBMFYSA-N 0 3 291.391 2.207 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800529815 631133155 /nfs/dbraw/zinc/13/31/55/631133155.db2.gz GFAWKKUBLYLUOI-UHFFFAOYSA-N 0 3 265.328 2.390 20 10 CECDHN CO[C@@H]1CCOC[C@H]1NC/C=C/c1ccc(N(C)C)cc1 ZINC000897890557 631964101 /nfs/dbraw/zinc/96/41/01/631964101.db2.gz SHSJYEUYHWKPSZ-ADDHZHGLSA-N 0 3 290.407 2.159 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H](C)C1 ZINC000809698279 632130328 /nfs/dbraw/zinc/13/03/28/632130328.db2.gz XPEDWBKBSWGMRM-ZDUSSCGKSA-N 0 3 279.403 2.418 20 10 CECDHN CCO[C@@H](C[NH2+][C@H](CC)c1ccccc1[O-])CN(C)C ZINC000926958246 632385272 /nfs/dbraw/zinc/38/52/72/632385272.db2.gz FIBNYHLDSLSSCY-DZGCQCFKSA-N 0 3 280.412 2.400 20 10 CECDHN COC(=O)[C@@H](C[NH2+]Cc1ccccc1[O-])CC(C)C ZINC000813332621 632670658 /nfs/dbraw/zinc/67/06/58/632670658.db2.gz DFMCUMSHHFJSEI-CYBMUJFWSA-N 0 3 265.353 2.317 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c([O-])c1 ZINC000815160115 632974826 /nfs/dbraw/zinc/97/48/26/632974826.db2.gz PYONITMESVRFMB-LRDDRELGSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccccc1[O-] ZINC000817586206 633702599 /nfs/dbraw/zinc/70/25/99/633702599.db2.gz LZCVUKMHHXWQND-JHJVBQTASA-N 0 3 276.380 2.335 20 10 CECDHN C[C@H](N[C@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978413 633821507 /nfs/dbraw/zinc/82/15/07/633821507.db2.gz ANDODRPTPCNCFF-FZMZJTMJSA-N 0 3 283.366 2.400 20 10 CECDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(C(F)(F)F)c1[O-] ZINC000817977939 633822084 /nfs/dbraw/zinc/82/20/84/633822084.db2.gz RVAPVPJSADPCBV-QAHWYCSRSA-N 0 3 286.297 2.279 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CNCCCO1)c1cccc(Cl)c1[O-] ZINC000817982978 633826015 /nfs/dbraw/zinc/82/60/15/633826015.db2.gz XEXHYKCQMOBKFN-RISCZKNCSA-N 0 3 298.814 2.465 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1ccc(F)cc1[O-] ZINC000817984561 633827393 /nfs/dbraw/zinc/82/73/93/633827393.db2.gz UHYIGKOFENCBQQ-CMPLNLGQSA-N 0 3 252.333 2.324 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)CC2 ZINC000903441168 635120593 /nfs/dbraw/zinc/12/05/93/635120593.db2.gz YJMAWVJKXLDFIG-MGPQQGTHSA-N 0 3 259.349 2.394 20 10 CECDHN COc1cc(O)c(CNCc2cnccc2C)cc1OC ZINC000824910771 635522606 /nfs/dbraw/zinc/52/26/06/635522606.db2.gz ZQEHDQXDGAWYGH-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000842776765 635775428 /nfs/dbraw/zinc/77/54/28/635775428.db2.gz ZRIBUOZRXZLGSO-PWSUYJOCSA-N 0 3 251.326 2.058 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@@H]2COCCO2)cc1 ZINC000827336120 636297855 /nfs/dbraw/zinc/29/78/55/636297855.db2.gz AIHMRCBCNLCMRU-QGZVFWFLSA-N 0 3 292.423 2.380 20 10 CECDHN COc1cc(O)c(CN2CCO[C@@H](C)CC2)cc1OC ZINC000905740101 636427042 /nfs/dbraw/zinc/42/70/42/636427042.db2.gz QXBGQQWEHULOGY-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)N(C)C ZINC000827973481 636475548 /nfs/dbraw/zinc/47/55/48/636475548.db2.gz QVVGPYDZIXDCEA-SMDDNHRTSA-N 0 3 264.369 2.156 20 10 CECDHN C[C@H](NC(=O)CN1[C@@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827972856 636475747 /nfs/dbraw/zinc/47/57/47/636475747.db2.gz AYZPMLQHZYLOLQ-AVGNSLFASA-N 0 3 276.380 2.442 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000876521640 650300969 /nfs/dbraw/zinc/30/09/69/650300969.db2.gz SCUCPTUKMUELRJ-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN CCOC(=O)N[C@@H]1CCCN(Cc2ccc(C)cc2O)C1 ZINC000876582433 650345448 /nfs/dbraw/zinc/34/54/48/650345448.db2.gz ZDZLGWGIJSIXQH-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834531207 637856982 /nfs/dbraw/zinc/85/69/82/637856982.db2.gz SDLRSQUFPAHPMZ-UONOGXRCSA-N 0 3 279.380 2.003 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808235 637956915 /nfs/dbraw/zinc/95/69/15/637956915.db2.gz YPFPJXSCJCUKFI-DGCLKSJQSA-N 0 3 269.348 2.250 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000834909425 637985020 /nfs/dbraw/zinc/98/50/20/637985020.db2.gz RLWKKRBDSSANQA-RBIVETJNSA-N 0 3 292.354 2.338 20 10 CECDHN CN(C)c1ccc(/C=C/CN(C)[C@H]2CCOC2)cc1 ZINC000835029595 638030987 /nfs/dbraw/zinc/03/09/87/638030987.db2.gz XYSWOILLOKSPQD-APHBUQMISA-N 0 3 260.381 2.487 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000835088551 638058058 /nfs/dbraw/zinc/05/80/58/638058058.db2.gz SLMILJBYLGOENU-QWRGUYRKSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000835088548 638058117 /nfs/dbraw/zinc/05/81/17/638058117.db2.gz SLMILJBYLGOENU-MNOVXSKESA-N 0 3 251.326 2.058 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000876815277 650443979 /nfs/dbraw/zinc/44/39/79/650443979.db2.gz WGUUSDJZCOCJGD-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c([O-])c1 ZINC000876815277 650443983 /nfs/dbraw/zinc/44/39/83/650443983.db2.gz WGUUSDJZCOCJGD-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[NH2+]CCCOC[C@@H]2CCCO2)c([O-])c1 ZINC000876900777 650478778 /nfs/dbraw/zinc/47/87/78/650478778.db2.gz QVQMNVWXVJTOIY-HNNXBMFYSA-N 0 3 279.380 2.376 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876946728 650500812 /nfs/dbraw/zinc/50/08/12/650500812.db2.gz PZWWWFPPKXLJPB-LBPRGKRZSA-N 0 3 264.369 2.095 20 10 CECDHN COCC[C@@H](C)C[NH2+]Cc1c([O-])cccc1OC ZINC000840955088 639600562 /nfs/dbraw/zinc/60/05/62/639600562.db2.gz MPNMRBUGVUOEFN-LLVKDONJSA-N 0 3 253.342 2.163 20 10 CECDHN C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065229 639640994 /nfs/dbraw/zinc/64/09/94/639640994.db2.gz ZFOQCLZYMSMPLK-JOYOIKCWSA-N 0 3 254.761 2.133 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@@H]2CNCCC2(F)F)cc1 ZINC000841079605 639648685 /nfs/dbraw/zinc/64/86/85/639648685.db2.gz MHGOOXPNEHYWKK-ABCZVMIZSA-N 0 3 295.377 2.353 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H](C)[C@H]2C[NH3+])c1[O-] ZINC000843353400 640400820 /nfs/dbraw/zinc/40/08/20/640400820.db2.gz HIPLHNNOIJZURT-MEBBXXQBSA-N 0 3 294.370 2.293 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[NH2+][C@@H](C(C)C)C2)c1[O-] ZINC000843376363 640410409 /nfs/dbraw/zinc/41/04/09/640410409.db2.gz AUPNBQMZAWPZBB-OAHLLOKOSA-N 0 3 294.370 2.164 20 10 CECDHN CC(=O)c1cc(F)cc(CN(C)C2(C[NH3+])CCC2)c1[O-] ZINC000843388887 640413682 /nfs/dbraw/zinc/41/36/82/640413682.db2.gz CKOUJXYJQSYPTI-UHFFFAOYSA-N 0 3 280.343 2.047 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCN2CCCC2=O)c1[O-] ZINC000846085587 641175774 /nfs/dbraw/zinc/17/57/74/641175774.db2.gz HXOQWHRQJOKEFY-UHFFFAOYSA-N 0 3 282.771 2.066 20 10 CECDHN FC1(F)[C@H]2CN(Cc3ccc(N4CCOCC4)cc3)C[C@H]21 ZINC000846109650 641183835 /nfs/dbraw/zinc/18/38/35/641183835.db2.gz GIBRSFJCNYWHAZ-GASCZTMLSA-N 0 3 294.345 2.220 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000846195042 641219519 /nfs/dbraw/zinc/21/95/19/641219519.db2.gz WVKJTSCSYNDFCO-KKZNHRDASA-N 0 3 282.771 2.269 20 10 CECDHN Cc1ccc(CN2CCN(c3ccnc(C)n3)CC2)c(O)c1 ZINC000877347114 650681784 /nfs/dbraw/zinc/68/17/84/650681784.db2.gz QXYPCTFUBTYXCO-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183487528 641749636 /nfs/dbraw/zinc/74/96/36/641749636.db2.gz DUAJTAKYAISBJK-KGLIPLIRSA-N 0 3 278.396 2.154 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183487508 641750268 /nfs/dbraw/zinc/75/02/68/641750268.db2.gz DUAJTAKYAISBJK-KBPBESRZSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@@H]([NH2+]CCc1cccc(C(N)=O)c1)c1ccccc1[O-] ZINC000183596041 641770979 /nfs/dbraw/zinc/77/09/79/641770979.db2.gz GFJHCBYUTBJBBD-GFCCVEGCSA-N 0 3 284.359 2.384 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1 ZINC000186149850 642073521 /nfs/dbraw/zinc/07/35/21/642073521.db2.gz BJOZEORGNYGURP-ZDUSSCGKSA-N 0 3 279.380 2.140 20 10 CECDHN CCc1cccc(CN2CCN(C3CC3)CC2)c1O ZINC000848881821 642167795 /nfs/dbraw/zinc/16/77/95/642167795.db2.gz UZFZPCIMPBDHPX-UHFFFAOYSA-N 0 3 260.381 2.235 20 10 CECDHN CCc1cccc(CN(C)CCNC(=O)C(C)C)c1O ZINC000848888863 642172993 /nfs/dbraw/zinc/17/29/93/642172993.db2.gz BRTZBMIQHUXCJH-UHFFFAOYSA-N 0 3 278.396 2.159 20 10 CECDHN CCc1cccc(CNCc2ccnc(N(C)C)n2)c1O ZINC000848900608 642179291 /nfs/dbraw/zinc/17/92/91/642179291.db2.gz OJRMKPZIDYRQIJ-UHFFFAOYSA-N 0 3 286.379 2.100 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1([S@@](C)=O)CCC1 ZINC000877496189 650750392 /nfs/dbraw/zinc/75/03/92/650750392.db2.gz NWLPHLDCEFAIRN-GOSISDBHSA-N 0 3 267.394 2.091 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c([O-])c1 ZINC000850342004 642673186 /nfs/dbraw/zinc/67/31/86/642673186.db2.gz PDIGATDFVNTWRQ-GFCCVEGCSA-N 0 3 265.353 2.448 20 10 CECDHN CCCN1CC[C@@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000850395069 642698820 /nfs/dbraw/zinc/69/88/20/642698820.db2.gz NHBGUXYTMIQCDQ-CQSZACIVSA-N 0 3 278.396 2.365 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499711 642732578 /nfs/dbraw/zinc/73/25/78/642732578.db2.gz VUHAXVKXIJVWJF-PTRXPTGYSA-N 0 3 276.315 2.479 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000877570396 650794210 /nfs/dbraw/zinc/79/42/10/650794210.db2.gz HNQZGTNZHGKQQW-GFCCVEGCSA-N 0 3 259.353 2.155 20 10 CECDHN CN(Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851841454 643186962 /nfs/dbraw/zinc/18/69/62/643186962.db2.gz SHOPSRWBEUNGJU-VHDGCEQUSA-N 0 3 288.391 2.271 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877682242 650848183 /nfs/dbraw/zinc/84/81/83/650848183.db2.gz MPUWFGXRCFVIGM-LTVHRWTQSA-N 0 3 259.349 2.214 20 10 CECDHN COCC1(C2CC2)C[NH+](Cc2c([O-])cccc2OC)C1 ZINC000877685500 650850000 /nfs/dbraw/zinc/85/00/00/650850000.db2.gz ABBCMPANXRQHAG-UHFFFAOYSA-N 0 3 277.364 2.259 20 10 CECDHN COCC1(C2CC2)CN(Cc2c(O)cccc2OC)C1 ZINC000877685500 650850003 /nfs/dbraw/zinc/85/00/03/650850003.db2.gz ABBCMPANXRQHAG-UHFFFAOYSA-N 0 3 277.364 2.259 20 10 CECDHN O=C1CC[N@H+](Cc2ccccc2[O-])CCCCCCN1 ZINC000877686456 650851172 /nfs/dbraw/zinc/85/11/72/650851172.db2.gz XHGBYWSXWFMIQF-UHFFFAOYSA-N 0 3 276.380 2.275 20 10 CECDHN O=C1CC[N@@H+](Cc2ccccc2[O-])CCCCCCN1 ZINC000877686456 650851174 /nfs/dbraw/zinc/85/11/74/650851174.db2.gz XHGBYWSXWFMIQF-UHFFFAOYSA-N 0 3 276.380 2.275 20 10 CECDHN C[N@@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1COCCO1 ZINC000853558896 643813365 /nfs/dbraw/zinc/81/33/65/643813365.db2.gz LAKOIBJDOYHTII-CQSZACIVSA-N 0 3 287.359 2.393 20 10 CECDHN C[N@H+](Cc1c([O-])ccc2ccccc21)C[C@@H]1COCCO1 ZINC000853558896 643813369 /nfs/dbraw/zinc/81/33/69/643813369.db2.gz LAKOIBJDOYHTII-CQSZACIVSA-N 0 3 287.359 2.393 20 10 CECDHN c1csc(SCCCNCc2cnccn2)n1 ZINC000838963034 644098276 /nfs/dbraw/zinc/09/82/76/644098276.db2.gz SIANNJOWOKJXNT-UHFFFAOYSA-N 0 3 266.395 2.205 20 10 CECDHN C[C@@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)c1ccccc1[O-] ZINC000877756487 650899089 /nfs/dbraw/zinc/89/90/89/650899089.db2.gz LYGQXXDNSNEZQP-LLVKDONJSA-N 0 3 287.363 2.273 20 10 CECDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758184 650900272 /nfs/dbraw/zinc/90/02/72/650900272.db2.gz LVXKAIMYSOWZSE-YRRQLQLVSA-N 0 3 263.337 2.240 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000877779082 650907524 /nfs/dbraw/zinc/90/75/24/650907524.db2.gz YBBBYVZVWOQEMO-GFCCVEGCSA-N 0 3 261.300 2.353 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)COCC2CC2)c([O-])c1 ZINC000756509357 644657224 /nfs/dbraw/zinc/65/72/24/644657224.db2.gz AWSMBKFZKCYSCE-JSGCOSHPSA-N 0 3 279.380 2.139 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCO[C@H](C)C2)c([O-])c1 ZINC000756542567 644660921 /nfs/dbraw/zinc/66/09/21/644660921.db2.gz BIRMEUWWDYKFJB-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN CC[S@](=O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756577949 644671549 /nfs/dbraw/zinc/67/15/49/644671549.db2.gz SYZQGSPMKMDOLZ-KKRWKGTOSA-N 0 3 285.384 2.438 20 10 CECDHN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)ccc1[O-] ZINC000756740715 644688653 /nfs/dbraw/zinc/68/86/53/644688653.db2.gz SSJFWUKMVCHBSS-ZANVPECISA-N 0 3 253.317 2.343 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2[O-] ZINC000756779898 644691255 /nfs/dbraw/zinc/69/12/55/644691255.db2.gz NSDHUPOEWPAKGD-GXSJLCMTSA-N 0 3 281.327 2.432 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756773635 644691455 /nfs/dbraw/zinc/69/14/55/644691455.db2.gz AMDAVXGQSUOMTN-YUTCNCBUSA-N 0 3 276.380 2.266 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858523787 645190704 /nfs/dbraw/zinc/19/07/04/645190704.db2.gz UYDFZGJFTHPRIQ-YPMHNXCESA-N 0 3 298.814 2.335 20 10 CECDHN C[C@@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1[O-] ZINC000763558443 645557826 /nfs/dbraw/zinc/55/78/26/645557826.db2.gz PNICNWADXJXHPG-IUODEOHRSA-N 0 3 279.380 2.220 20 10 CECDHN CC(=O)NC[C@H]1CCCCN1Cc1ccc(N(C)C)cc1 ZINC000860177640 645727609 /nfs/dbraw/zinc/72/76/09/645727609.db2.gz VGYVZCPFEPHXPR-QGZVFWFLSA-N 0 3 289.423 2.243 20 10 CECDHN CCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450550 646125085 /nfs/dbraw/zinc/12/50/85/646125085.db2.gz KGKMNPVRMWXIGG-OAHLLOKOSA-N 0 3 295.379 2.067 20 10 CECDHN CCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450550 646125092 /nfs/dbraw/zinc/12/50/92/646125092.db2.gz KGKMNPVRMWXIGG-OAHLLOKOSA-N 0 3 295.379 2.067 20 10 CECDHN CC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464180 646126617 /nfs/dbraw/zinc/12/66/17/646126617.db2.gz OARHNSSODOJADR-ZBFHGGJFSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464180 646126622 /nfs/dbraw/zinc/12/66/22/646126622.db2.gz OARHNSSODOJADR-ZBFHGGJFSA-N 0 3 277.364 2.440 20 10 CECDHN CN(C)C1(C(=O)NCc2ccc3cccnc3c2O)CCC1 ZINC000862026576 646326688 /nfs/dbraw/zinc/32/66/88/646326688.db2.gz SVSLSBKUMOTUNZ-UHFFFAOYSA-N 0 3 299.374 2.041 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000770511023 646400013 /nfs/dbraw/zinc/40/00/13/646400013.db2.gz VSRFUHIBRWBLFY-UHFFFAOYSA-N 0 3 257.337 2.495 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862428628 646455722 /nfs/dbraw/zinc/45/57/22/646455722.db2.gz SQRVBBFTCKPZGY-ZDUSSCGKSA-N 0 3 296.798 2.407 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000862428628 646455726 /nfs/dbraw/zinc/45/57/26/646455726.db2.gz SQRVBBFTCKPZGY-ZDUSSCGKSA-N 0 3 296.798 2.407 20 10 CECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000862488939 646479987 /nfs/dbraw/zinc/47/99/87/646479987.db2.gz VFOKUXPQSREMRX-CYBMUJFWSA-N 0 3 279.311 2.273 20 10 CECDHN CCC(O)(CC)C[N@H+](C)Cc1c([O-])cccc1OC ZINC000862538571 646488679 /nfs/dbraw/zinc/48/86/79/646488679.db2.gz ASIMIHRUCTVLKB-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCC(O)(CC)C[N@@H+](C)Cc1c([O-])cccc1OC ZINC000862538571 646488685 /nfs/dbraw/zinc/48/86/85/646488685.db2.gz ASIMIHRUCTVLKB-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1)c1ccccc1[O-] ZINC000775131820 646926195 /nfs/dbraw/zinc/92/61/95/646926195.db2.gz WKFMYZQGNFPONS-ZIAGYGMSSA-N 0 3 287.359 2.483 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775416251 646952554 /nfs/dbraw/zinc/95/25/54/646952554.db2.gz XMMGVVCFTUFQFX-UKRRQHHQSA-N 0 3 279.380 2.220 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000775551290 646965290 /nfs/dbraw/zinc/96/52/90/646965290.db2.gz LZNMFBUBJPAWQW-CABCVRRESA-N 0 3 279.380 2.220 20 10 CECDHN CCOC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000779003575 647281010 /nfs/dbraw/zinc/28/10/10/647281010.db2.gz VXSGWHRIJOEWED-UHFFFAOYSA-N 0 3 281.327 2.449 20 10 CECDHN CCOC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000779003575 647281018 /nfs/dbraw/zinc/28/10/18/647281018.db2.gz VXSGWHRIJOEWED-UHFFFAOYSA-N 0 3 281.327 2.449 20 10 CECDHN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779011511 647282362 /nfs/dbraw/zinc/28/23/62/647282362.db2.gz FFYBVTHMWWIEMW-AWEZNQCLSA-N 0 3 292.354 2.118 20 10 CECDHN O=C1CCCN1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779011511 647282365 /nfs/dbraw/zinc/28/23/65/647282365.db2.gz FFYBVTHMWWIEMW-AWEZNQCLSA-N 0 3 292.354 2.118 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865712134 647434796 /nfs/dbraw/zinc/43/47/96/647434796.db2.gz XEBUDRZUSRFIDP-UFBFGSQYSA-N 0 3 293.285 2.192 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(F)ccc1[O-] ZINC000866413784 647778489 /nfs/dbraw/zinc/77/84/89/647778489.db2.gz WGIARTMOFULALZ-AAEUAGOBSA-N 0 3 296.386 2.027 20 10 CECDHN CC[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000121095982 647812492 /nfs/dbraw/zinc/81/24/92/647812492.db2.gz XMUGRPADFOTJNX-CQSZACIVSA-N 0 3 297.420 2.258 20 10 CECDHN CCOc1cccc(CN(CCOC)[C@H]2CCOC2)c1O ZINC000787333800 648100593 /nfs/dbraw/zinc/10/05/93/648100593.db2.gz CDMYPLUQQNLIBW-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c([O-])c1 ZINC000789557787 648317298 /nfs/dbraw/zinc/31/72/98/648317298.db2.gz MVOQNKRKIJECQY-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@]2(C)CO)c([O-])c1 ZINC000789557787 648317303 /nfs/dbraw/zinc/31/73/03/648317303.db2.gz MVOQNKRKIJECQY-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CC(=O)Nc1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000789752824 648338026 /nfs/dbraw/zinc/33/80/26/648338026.db2.gz STCAVYCWCJVZCE-UHFFFAOYSA-N 0 3 289.310 2.175 20 10 CECDHN CCOc1ccc(CNCc2cc(C)nn2C)c(O)c1 ZINC000790601283 648433857 /nfs/dbraw/zinc/43/38/57/648433857.db2.gz JDXWXHJNNZXJSH-UHFFFAOYSA-N 0 3 275.352 2.123 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2cc(C)nn2C)c([O-])c1 ZINC000790601283 648433861 /nfs/dbraw/zinc/43/38/61/648433861.db2.gz JDXWXHJNNZXJSH-UHFFFAOYSA-N 0 3 275.352 2.123 20 10 CECDHN CO[C@@]1(C[NH2+][C@H](C)c2ccc(C)cc2[O-])CCOC1 ZINC000123157069 648826243 /nfs/dbraw/zinc/82/62/43/648826243.db2.gz DRQKFDKWMQODBT-IUODEOHRSA-N 0 3 265.353 2.157 20 10 CECDHN CCC1([NH+](C)C)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000870573190 648837531 /nfs/dbraw/zinc/83/75/31/648837531.db2.gz IPLHRIBLNXZWBJ-UHFFFAOYSA-N 0 3 282.409 2.400 20 10 CECDHN CCCOc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1C ZINC000873036610 649538607 /nfs/dbraw/zinc/53/86/07/649538607.db2.gz UUOQNPJXDLALBO-AWEZNQCLSA-N 0 3 276.380 2.104 20 10 CECDHN CCCCNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651300 651335639 /nfs/dbraw/zinc/33/56/39/651335639.db2.gz QOUZMSSUVFMBKL-LBPRGKRZSA-N 0 3 264.369 2.349 20 10 CECDHN CC(C)[C@@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270846 651656397 /nfs/dbraw/zinc/65/63/97/651656397.db2.gz CCMYYJIYWRQRAM-OAHLLOKOSA-N 0 3 273.384 2.048 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000883395180 652454267 /nfs/dbraw/zinc/45/42/67/652454267.db2.gz ORYIRJGJBZOINL-HIFRSBDPSA-N 0 3 288.391 2.444 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724814795 803495512 /nfs/dbraw/zinc/49/55/12/803495512.db2.gz VPLBGMNMGHCRQS-QMTHXVAHSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724814795 803495514 /nfs/dbraw/zinc/49/55/14/803495514.db2.gz VPLBGMNMGHCRQS-QMTHXVAHSA-N 0 3 251.301 2.142 20 10 CECDHN COC[C@@H](CC[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000694314614 803530870 /nfs/dbraw/zinc/53/08/70/803530870.db2.gz YUGPHVOOLIYGMD-CHWSQXEVSA-N 0 3 267.369 2.403 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C(F)F)c1[O-] ZINC000716714575 815143517 /nfs/dbraw/zinc/14/35/17/815143517.db2.gz BZCRRDAACYMYNX-SECBINFHSA-N 0 3 295.713 2.160 20 10 CECDHN COc1cc(CN2CCC[C@@H](OC)C2)c(O)c(OC)c1 ZINC001237674925 808238949 /nfs/dbraw/zinc/23/89/49/808238949.db2.gz NIOLRUJTWFEYGA-GFCCVEGCSA-N 0 3 281.352 2.020 20 10 CECDHN Cc1cc(F)cc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c1[O-] ZINC001238056174 808291143 /nfs/dbraw/zinc/29/11/43/808291143.db2.gz FATOEBGZGVHXPG-VXGBXAGGSA-N 0 3 267.344 2.433 20 10 CECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c1[O-] ZINC001238056174 808291148 /nfs/dbraw/zinc/29/11/48/808291148.db2.gz FATOEBGZGVHXPG-VXGBXAGGSA-N 0 3 267.344 2.433 20 10 CECDHN O=C1CCC2(CC[NH+](Cc3ccccc3[O-])CC2)O1 ZINC001203556725 808700615 /nfs/dbraw/zinc/70/06/15/808700615.db2.gz WJFICCLUSJHZKX-UHFFFAOYSA-N 0 3 261.321 2.064 20 10 CECDHN C[C@@H]([NH2+]CCC1CC(O)C1)c1cc(F)ccc1[O-] ZINC000702450876 809558450 /nfs/dbraw/zinc/55/84/50/809558450.db2.gz MXEITNDFDSWTRP-GRZMOONWSA-N 0 3 253.317 2.343 20 10 CECDHN CC[N@H+](CCCN(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708413861 809930348 /nfs/dbraw/zinc/93/03/48/809930348.db2.gz ONKLTZKSRSPACY-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN CC[N@@H+](CCCN(C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708413861 809930351 /nfs/dbraw/zinc/93/03/51/809930351.db2.gz ONKLTZKSRSPACY-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN CCN(CCC[NH+](C)C)Cc1cc(F)cc(F)c1[O-] ZINC000708413861 809930353 /nfs/dbraw/zinc/93/03/53/809930353.db2.gz ONKLTZKSRSPACY-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN COC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381361344 810367142 /nfs/dbraw/zinc/36/71/42/810367142.db2.gz KIQLOYHAYDGELG-CQSZACIVSA-N 0 3 253.317 2.390 20 10 CECDHN COC[C@]1(C)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000381361344 810367147 /nfs/dbraw/zinc/36/71/47/810367147.db2.gz KIQLOYHAYDGELG-CQSZACIVSA-N 0 3 253.317 2.390 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCn2cncn2)c([O-])c1 ZINC000381677151 810658483 /nfs/dbraw/zinc/65/84/83/810658483.db2.gz IVUCKRVKTQPJHE-LBPRGKRZSA-N 0 3 260.341 2.033 20 10 CECDHN CCC[C@H](C[NH2+]Cc1ccc(OC)cc1[O-])OC ZINC000378710658 810667585 /nfs/dbraw/zinc/66/75/85/810667585.db2.gz SUQLJLYMEWVYRW-CYBMUJFWSA-N 0 3 253.342 2.306 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001169483908 811529836 /nfs/dbraw/zinc/52/98/36/811529836.db2.gz HFXXJBIBWDHNCG-ZDUSSCGKSA-N 0 3 278.396 2.471 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001169483908 811529843 /nfs/dbraw/zinc/52/98/43/811529843.db2.gz HFXXJBIBWDHNCG-ZDUSSCGKSA-N 0 3 278.396 2.471 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957238 811727543 /nfs/dbraw/zinc/72/75/43/811727543.db2.gz DMUNOLWXSSJAAH-CQSZACIVSA-N 0 3 289.375 2.436 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957238 811727551 /nfs/dbraw/zinc/72/75/51/811727551.db2.gz DMUNOLWXSSJAAH-CQSZACIVSA-N 0 3 289.375 2.436 20 10 CECDHN COC(=O)N1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC001172742042 815499388 /nfs/dbraw/zinc/49/93/88/815499388.db2.gz VQWWNSYJFZJSLN-UHFFFAOYSA-N 0 3 278.352 2.055 20 10 CECDHN COC(=O)N1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC001172742042 815499393 /nfs/dbraw/zinc/49/93/93/815499393.db2.gz VQWWNSYJFZJSLN-UHFFFAOYSA-N 0 3 278.352 2.055 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCOC2)c([O-])c1 ZINC000389071617 813247275 /nfs/dbraw/zinc/24/72/75/813247275.db2.gz MINGBMOHPYURNX-AAEUAGOBSA-N 0 3 265.353 2.306 20 10 CECDHN COc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c([O-])c1 ZINC000396522305 813572583 /nfs/dbraw/zinc/57/25/83/813572583.db2.gz GVWBFRUSSPVGPK-LLVKDONJSA-N 0 3 251.326 2.058 20 10 CECDHN CC1(C)CCN(C(=O)c2cccc(O)c2[O-])CC(C)(C)[NH2+]1 ZINC001124023463 815587801 /nfs/dbraw/zinc/58/78/01/815587801.db2.gz PJALWFMPEOKLLN-UHFFFAOYSA-N 0 3 292.379 2.091 20 10 CECDHN CC(C)CNC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC001116569037 814865585 /nfs/dbraw/zinc/86/55/85/814865585.db2.gz YZVDGZXHPRECKY-CMPLNLGQSA-N 0 3 294.370 2.441 20 10 CECDHN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@H]1F ZINC001206197247 815639377 /nfs/dbraw/zinc/63/93/77/815639377.db2.gz HAXGCVLAWVXRIA-MWLCHTKSSA-N 0 3 290.741 2.446 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957537 816425829 /nfs/dbraw/zinc/42/58/29/816425829.db2.gz CYGPMPGBTWUTRP-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957537 816425836 /nfs/dbraw/zinc/42/58/36/816425836.db2.gz CYGPMPGBTWUTRP-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(OC)c1 ZINC001141029582 816450345 /nfs/dbraw/zinc/45/03/45/816450345.db2.gz WQGKODYMWWDVAB-CNDDSTCGSA-N 0 3 281.327 2.057 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(OC)c1 ZINC001141029582 816450349 /nfs/dbraw/zinc/45/03/49/816450349.db2.gz WQGKODYMWWDVAB-CNDDSTCGSA-N 0 3 281.327 2.057 20 10 CECDHN COCC1CC[NH+](Cc2c([O-])cc(OC)cc2OC)CC1 ZINC001141031882 816453009 /nfs/dbraw/zinc/45/30/09/816453009.db2.gz NLZCAQZLJHKASS-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN CN1CCOc2cc(CN3CCC[C@@H]4C[C@@H]43)ccc21 ZINC001141144557 816485609 /nfs/dbraw/zinc/48/56/09/816485609.db2.gz GSJXSECVLCWCAV-HIFRSBDPSA-N 0 3 258.365 2.500 20 10 CECDHN CN(Cc1cc(O)ccc1O)C[C@H]1CCCCO1 ZINC001141159186 816490296 /nfs/dbraw/zinc/49/02/96/816490296.db2.gz BLECUQGEISXXDX-CYBMUJFWSA-N 0 3 251.326 2.099 20 10 CECDHN CC(=O)NCC1CC[NH+](Cc2cc(C)c(C)cc2[O-])CC1 ZINC000054517151 343590994 /nfs/dbraw/zinc/59/09/94/343590994.db2.gz LFDGOFKCEYTKGR-UHFFFAOYSA-N 0 3 290.407 2.357 20 10 CECDHN CC(C)CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000065960956 343704859 /nfs/dbraw/zinc/70/48/59/343704859.db2.gz LUVPTVABGWTNCO-UHFFFAOYSA-N 0 3 291.439 2.299 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626972 344684540 /nfs/dbraw/zinc/68/45/40/344684540.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 0 3 278.396 2.173 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1 ZINC000290626972 344684542 /nfs/dbraw/zinc/68/45/42/344684542.db2.gz XOWGWACDBOMLPG-WFASDCNBSA-N 0 3 278.396 2.173 20 10 CECDHN CN(C)[C@@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237139455 370692917 /nfs/dbraw/zinc/69/29/17/370692917.db2.gz KUVCEPVVTPMWCL-KRWDZBQOSA-N 0 3 297.402 2.230 20 10 CECDHN Cc1cc(O)c(CN2CCN(c3cccnn3)CC2)cc1C ZINC000170638935 367389998 /nfs/dbraw/zinc/38/99/98/367389998.db2.gz LXMHHBKQLUVFRJ-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000169093957 367365270 /nfs/dbraw/zinc/36/52/70/367365270.db2.gz ZLZZQEVMRZOXTN-UHFFFAOYSA-N 0 3 271.744 2.059 20 10 CECDHN Cn1cnnc1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000179940274 368360166 /nfs/dbraw/zinc/36/01/66/368360166.db2.gz UXBKIDFGUIINEV-UHFFFAOYSA-N 0 3 290.342 2.039 20 10 CECDHN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000184569022 368703893 /nfs/dbraw/zinc/70/38/93/368703893.db2.gz LMUCOYQKLYPMFG-ZJUUUORDSA-N 0 3 269.316 2.209 20 10 CECDHN CO[C@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107084 369297314 /nfs/dbraw/zinc/29/73/14/369297314.db2.gz MTIOLXGPGOMBSG-CHWSQXEVSA-N 0 3 296.386 2.348 20 10 CECDHN CC[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000190216823 369605697 /nfs/dbraw/zinc/60/56/97/369605697.db2.gz LBJYJOMRLBCRIX-INIZCTEOSA-N 0 3 293.363 2.105 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000190216823 369605704 /nfs/dbraw/zinc/60/57/04/369605704.db2.gz LBJYJOMRLBCRIX-INIZCTEOSA-N 0 3 293.363 2.105 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000191957330 369756626 /nfs/dbraw/zinc/75/66/26/369756626.db2.gz MVDZJRJYCXVROV-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000191957330 369756631 /nfs/dbraw/zinc/75/66/31/369756631.db2.gz MVDZJRJYCXVROV-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOCCOCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000191570185 369723047 /nfs/dbraw/zinc/72/30/47/369723047.db2.gz UIMAHGZMZHFKPM-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN CCOCCOCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000191570185 369723052 /nfs/dbraw/zinc/72/30/52/369723052.db2.gz UIMAHGZMZHFKPM-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN CN(C)c1ccc(CN2CCC3(CCOC3=O)CC2)cc1 ZINC000359867922 371490882 /nfs/dbraw/zinc/49/08/82/371490882.db2.gz HDBJGRQLQFBXKG-UHFFFAOYSA-N 0 3 288.391 2.282 20 10 CECDHN CC1(O)C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[O-] ZINC000359998166 371498185 /nfs/dbraw/zinc/49/81/85/371498185.db2.gz VUVUZGRXRVHBEB-NNQSOWQGSA-N 0 3 265.328 2.409 20 10 CECDHN CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000359998166 371498190 /nfs/dbraw/zinc/49/81/90/371498190.db2.gz VUVUZGRXRVHBEB-NNQSOWQGSA-N 0 3 265.328 2.409 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CC(=O)N(C)C2)cc1 ZINC000268899178 372278560 /nfs/dbraw/zinc/27/85/60/372278560.db2.gz ZPUMCZSUWPLJEP-GXTWGEPZSA-N 0 3 275.396 2.024 20 10 CECDHN Cc1cccc(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366489494 373067789 /nfs/dbraw/zinc/06/77/89/373067789.db2.gz POGFJUPFLHSUOD-PBHICJAKSA-N 0 3 291.391 2.471 20 10 CECDHN O[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271043252 373086395 /nfs/dbraw/zinc/08/63/95/373086395.db2.gz OPQHTWZDDJWVML-MRXNPFEDSA-N 0 3 260.381 2.244 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000271112968 373125829 /nfs/dbraw/zinc/12/58/29/373125829.db2.gz UWEFHPWJAMGNEA-SNVBAGLBSA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)C2)cc1OC ZINC000271112968 373125835 /nfs/dbraw/zinc/12/58/35/373125835.db2.gz UWEFHPWJAMGNEA-SNVBAGLBSA-N 0 3 251.326 2.251 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000271194166 373174379 /nfs/dbraw/zinc/17/43/79/373174379.db2.gz HICVXOAMHWCAET-OAHLLOKOSA-N 0 3 275.323 2.225 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1OC ZINC000271788298 373199705 /nfs/dbraw/zinc/19/97/05/373199705.db2.gz GENFNCITGGZWHE-AULYBMBSSA-N 0 3 295.379 2.050 20 10 CECDHN C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000273478916 373760167 /nfs/dbraw/zinc/76/01/67/373760167.db2.gz LLYQEOFBYVYROF-CPCISQLKSA-N 0 3 281.249 2.495 20 10 CECDHN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000273478919 373760337 /nfs/dbraw/zinc/76/03/37/373760337.db2.gz LLYQEOFBYVYROF-HQJQHLMTSA-N 0 3 281.249 2.495 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCS(C)(=O)=O)c([O-])c1C ZINC000273601727 373766268 /nfs/dbraw/zinc/76/62/68/373766268.db2.gz SBAKNRRZLAFCTM-GFCCVEGCSA-N 0 3 285.409 2.094 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccccc1[O-] ZINC000371684849 373948670 /nfs/dbraw/zinc/94/86/70/373948670.db2.gz HWDKZKIOBPISDL-JQWIXIFHSA-N 0 3 257.337 2.323 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590890 374163586 /nfs/dbraw/zinc/16/35/86/374163586.db2.gz GTCOYTZCWNGZMW-NWDGAFQWSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CC[C@@H](n3cncn3)C2)c1 ZINC000372590890 374163590 /nfs/dbraw/zinc/16/35/90/374163590.db2.gz GTCOYTZCWNGZMW-NWDGAFQWSA-N 0 3 288.351 2.000 20 10 CECDHN COc1ccc(O)c([C@H](C)N2CC[C@@H](n3cncn3)C2)c1 ZINC000372590890 374163596 /nfs/dbraw/zinc/16/35/96/374163596.db2.gz GTCOYTZCWNGZMW-NWDGAFQWSA-N 0 3 288.351 2.000 20 10 CECDHN CCCCN(CC(=O)NC1CC1)Cc1ccccc1O ZINC000282497292 375498402 /nfs/dbraw/zinc/49/84/02/375498402.db2.gz QNPHYLGJAYGMQN-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC2(O)CCC2)c1 ZINC000284410880 375828149 /nfs/dbraw/zinc/82/81/49/375828149.db2.gz QMMZTVWZUCVIHX-LLVKDONJSA-N 0 3 265.353 2.357 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@@H]1COc3ccccc31)OCO2 ZINC000288434349 376377507 /nfs/dbraw/zinc/37/75/07/376377507.db2.gz BUHSOLFETWJCML-GFCCVEGCSA-N 0 3 299.326 2.387 20 10 CECDHN CN(C)CC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293951950 377845330 /nfs/dbraw/zinc/84/53/30/377845330.db2.gz PDFHSCQOXKWCCN-UHFFFAOYSA-N 0 3 260.740 2.178 20 10 CECDHN CN(C)CC[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293951950 377845338 /nfs/dbraw/zinc/84/53/38/377845338.db2.gz PDFHSCQOXKWCCN-UHFFFAOYSA-N 0 3 260.740 2.178 20 10 CECDHN CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000294704746 378014130 /nfs/dbraw/zinc/01/41/30/378014130.db2.gz DFBUJLIGWAOLKI-CYBMUJFWSA-N 0 3 278.352 2.055 20 10 CECDHN CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294704746 378014133 /nfs/dbraw/zinc/01/41/33/378014133.db2.gz DFBUJLIGWAOLKI-CYBMUJFWSA-N 0 3 278.352 2.055 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC[C@@H](CO)O2)c([O-])c1 ZINC000294450958 377988771 /nfs/dbraw/zinc/98/87/71/377988771.db2.gz VQBGGTMAUSDHGO-MCIONIFRSA-N 0 3 279.380 2.200 20 10 CECDHN C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295576028 378219063 /nfs/dbraw/zinc/21/90/63/378219063.db2.gz BAHLUNSBESVMCM-CYBMUJFWSA-N 0 3 260.381 2.308 20 10 CECDHN C[C@H]1CN(C2CC2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295576028 378219068 /nfs/dbraw/zinc/21/90/68/378219068.db2.gz BAHLUNSBESVMCM-CYBMUJFWSA-N 0 3 260.381 2.308 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC(C)C)c1[O-] ZINC000527800917 379817684 /nfs/dbraw/zinc/81/76/84/379817684.db2.gz QQCYYAYQKQDRSZ-HIFRSBDPSA-N 0 3 265.353 2.446 20 10 CECDHN COc1cccc(CN[C@@H]2C[C@]2(C)OC(C)C)c1O ZINC000527800917 379817690 /nfs/dbraw/zinc/81/76/90/379817690.db2.gz QQCYYAYQKQDRSZ-HIFRSBDPSA-N 0 3 265.353 2.446 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)c([O-])c1 ZINC000185639116 262063502 /nfs/dbraw/zinc/06/35/02/262063502.db2.gz WKHGAAJWXDBJEL-RISCZKNCSA-N 0 3 267.394 2.219 20 10 CECDHN Cc1cc(CN[C@@H](C)Cn2cccn2)ccc1N(C)C ZINC000274353965 291898478 /nfs/dbraw/zinc/89/84/78/291898478.db2.gz IQJBJIRUQPIRJB-AWEZNQCLSA-N 0 3 272.396 2.436 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000311738964 262340319 /nfs/dbraw/zinc/34/03/19/262340319.db2.gz AZEBJCQABNAVEP-HNNXBMFYSA-N 0 3 263.337 2.156 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000311738964 262340320 /nfs/dbraw/zinc/34/03/20/262340320.db2.gz AZEBJCQABNAVEP-HNNXBMFYSA-N 0 3 263.337 2.156 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CN2CCOCC2)c1 ZINC000036933344 260053000 /nfs/dbraw/zinc/05/30/00/260053000.db2.gz DVJPPXAUASXYHM-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN COc1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1C ZINC000270459328 394734626 /nfs/dbraw/zinc/73/46/26/394734626.db2.gz FKYZMERGWQYBOQ-GFCCVEGCSA-N 0 3 277.286 2.407 20 10 CECDHN COCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761938 394735399 /nfs/dbraw/zinc/73/53/99/394735399.db2.gz DZDJCIBAIWPVCK-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN COCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000109761938 394735401 /nfs/dbraw/zinc/73/54/01/394735401.db2.gz DZDJCIBAIWPVCK-CQSZACIVSA-N 0 3 265.353 2.020 20 10 CECDHN CC[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1ccccc1[O-] ZINC000282504008 394920173 /nfs/dbraw/zinc/92/01/73/394920173.db2.gz YIXAUYMSDLWTMN-XIKOKIGWSA-N 0 3 267.394 2.344 20 10 CECDHN CC[N@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000132477200 394931580 /nfs/dbraw/zinc/93/15/80/394931580.db2.gz NDJGYBRCMODVFW-UHFFFAOYSA-N 0 3 288.185 2.277 20 10 CECDHN CC[N@@H+](CCO)Cc1cc(Br)cc(C)c1[O-] ZINC000132477200 394931585 /nfs/dbraw/zinc/93/15/85/394931585.db2.gz NDJGYBRCMODVFW-UHFFFAOYSA-N 0 3 288.185 2.277 20 10 CECDHN [O-]c1c(F)cccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158824046 395054672 /nfs/dbraw/zinc/05/46/72/395054672.db2.gz IFMFNZZBJDLUIJ-QWHCGFSZSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1c(F)cccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158824046 395054674 /nfs/dbraw/zinc/05/46/74/395054674.db2.gz IFMFNZZBJDLUIJ-QWHCGFSZSA-N 0 3 264.344 2.248 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000373152003 395055899 /nfs/dbraw/zinc/05/58/99/395055899.db2.gz IEDFCDHVYTXQLM-GDBMZVCRSA-N 0 3 277.364 2.128 20 10 CECDHN COC(=O)[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC1(C)C ZINC000374255579 395077648 /nfs/dbraw/zinc/07/76/48/395077648.db2.gz KHMVHWOWLVZUNA-HNNXBMFYSA-N 0 3 290.407 2.384 20 10 CECDHN C[C@H](NCC1(C)OCCO1)c1ccc(N(C)C)cc1 ZINC000179571791 395197319 /nfs/dbraw/zinc/19/73/19/395197319.db2.gz HAPPCHDEVCPGGU-LBPRGKRZSA-N 0 3 264.369 2.166 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000183370394 395256320 /nfs/dbraw/zinc/25/63/20/395256320.db2.gz RLMPLBHYYMIRQO-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000183370394 395256327 /nfs/dbraw/zinc/25/63/27/395256327.db2.gz RLMPLBHYYMIRQO-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN CCN1CCN(CCC[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000183416245 395256546 /nfs/dbraw/zinc/25/65/46/395256546.db2.gz UEWZQBPZJUVEJE-HNNXBMFYSA-N 0 3 291.439 2.070 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](O)C13CCCC3)OCO2 ZINC000293983909 395261728 /nfs/dbraw/zinc/26/17/28/395261728.db2.gz RNUBQNIZACHVMZ-OAHLLOKOSA-N 0 3 291.347 2.000 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](O)C13CCCC3)OCO2 ZINC000293983909 395261732 /nfs/dbraw/zinc/26/17/32/395261732.db2.gz RNUBQNIZACHVMZ-OAHLLOKOSA-N 0 3 291.347 2.000 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000193886358 395417989 /nfs/dbraw/zinc/41/79/89/395417989.db2.gz HNBOMDFUJUJMDN-GRYCIOLGSA-N 0 3 263.337 2.385 20 10 CECDHN COCCOCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000020192273 171058326 /nfs/dbraw/zinc/05/83/26/171058326.db2.gz DWAXDNZPTDWLGM-LBPRGKRZSA-N 0 3 283.368 2.105 20 10 CECDHN C[C@H](Cn1cccn1)NCc1ccc(N(C)C)cc1 ZINC000035259086 172092146 /nfs/dbraw/zinc/09/21/46/172092146.db2.gz KKVRTXUUDVVEJH-CYBMUJFWSA-N 0 3 258.369 2.127 20 10 CECDHN COCCOCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296080891 292578119 /nfs/dbraw/zinc/57/81/19/292578119.db2.gz SNLXEEHYUDXIDZ-ZDUSSCGKSA-N 0 3 265.353 2.022 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1cc(F)ccc1[O-] ZINC000367177467 227052797 /nfs/dbraw/zinc/05/27/97/227052797.db2.gz ALOXNNZVIFVWAT-GDLCADMTSA-N 0 3 292.354 2.335 20 10 CECDHN COC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000154099753 261087400 /nfs/dbraw/zinc/08/74/00/261087400.db2.gz PBIJJJZNTZLALX-LLVKDONJSA-N 0 3 278.352 2.274 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC000154157695 261088332 /nfs/dbraw/zinc/08/83/32/261088332.db2.gz IYHUACSWRWDBPK-UHFFFAOYSA-N 0 3 279.380 2.146 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])CC1(O)CCOCC1 ZINC000154157695 261088333 /nfs/dbraw/zinc/08/83/33/261088333.db2.gz IYHUACSWRWDBPK-UHFFFAOYSA-N 0 3 279.380 2.146 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000155575523 261103873 /nfs/dbraw/zinc/10/38/73/261103873.db2.gz BDQHQHNQOLVWLL-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000155575523 261103875 /nfs/dbraw/zinc/10/38/75/261103875.db2.gz BDQHQHNQOLVWLL-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN COc1cc(O)c(CN2CCS[C@H](C)C2)cc1OC ZINC000160145063 261205982 /nfs/dbraw/zinc/20/59/82/261205982.db2.gz JDZQSQLIKGLJFN-SNVBAGLBSA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C2CCC2)cc1OC ZINC000160298223 261210273 /nfs/dbraw/zinc/21/02/73/261210273.db2.gz RHGDLDBHKKYLCV-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C2CCC2)cc1OC ZINC000160298223 261210275 /nfs/dbraw/zinc/21/02/75/261210275.db2.gz RHGDLDBHKKYLCV-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN COc1ccc(N2CCN(CCCCCCO)CC2)cc1 ZINC000175739954 261243513 /nfs/dbraw/zinc/24/35/13/261243513.db2.gz NPRQCFISICMDEQ-UHFFFAOYSA-N 0 3 292.423 2.370 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](n3cncn3)C2)cc1 ZINC000179464075 261788382 /nfs/dbraw/zinc/78/83/82/261788382.db2.gz ZKPKSOLIFBMLOS-MRXNPFEDSA-N 0 3 285.395 2.181 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)c1 ZINC000367437326 262026957 /nfs/dbraw/zinc/02/69/57/262026957.db2.gz INHNPHHGCOZIJU-FABXCBLPSA-N 0 3 288.391 2.408 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)c([O-])c1 ZINC000184889042 262032611 /nfs/dbraw/zinc/03/26/11/262032611.db2.gz PFXVIGNLQFLYJC-CYBMUJFWSA-N 0 3 276.380 2.364 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000185505330 262058160 /nfs/dbraw/zinc/05/81/60/262058160.db2.gz CFFYKTKPCBHKPE-GJZGRUSLSA-N 0 3 292.423 2.320 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186030283 262076275 /nfs/dbraw/zinc/07/62/75/262076275.db2.gz JRNQKXLOSYITFV-VXGBXAGGSA-N 0 3 285.409 2.174 20 10 CECDHN CC[C@@H]([NH2+]CC1(C)OCCO1)c1ccccc1[O-] ZINC000186306945 262088028 /nfs/dbraw/zinc/08/80/28/262088028.db2.gz FTMBTTZBPKGSIL-GFCCVEGCSA-N 0 3 251.326 2.196 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000186354428 262090259 /nfs/dbraw/zinc/09/02/59/262090259.db2.gz JAGYRFXRLKIKFI-SNVBAGLBSA-N 0 3 282.359 2.344 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186354411 262090461 /nfs/dbraw/zinc/09/04/61/262090461.db2.gz JAGYRFXRLKIKFI-JTQLQIEISA-N 0 3 282.359 2.344 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000186531648 262097506 /nfs/dbraw/zinc/09/75/06/262097506.db2.gz XOATZADZMHVLLI-AAOUONPWSA-N 0 3 285.771 2.471 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000368593379 262126844 /nfs/dbraw/zinc/12/68/44/262126844.db2.gz SQVFZUYOPFEVNH-GFCCVEGCSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000368593379 262126846 /nfs/dbraw/zinc/12/68/46/262126846.db2.gz SQVFZUYOPFEVNH-GFCCVEGCSA-N 0 3 263.337 2.023 20 10 CECDHN CCCOc1ccc(C[NH2+]CC2(C)OCCCO2)c([O-])c1 ZINC000192251097 262200891 /nfs/dbraw/zinc/20/08/91/262200891.db2.gz ZCEIMYBZZYLWGR-UHFFFAOYSA-N 0 3 295.379 2.424 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141884 262302996 /nfs/dbraw/zinc/30/29/96/262302996.db2.gz TWXDGJBHYKEHIE-NWDGAFQWSA-N 0 3 264.369 2.146 20 10 CECDHN Cc1c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cnn1C ZINC000186188466 262312174 /nfs/dbraw/zinc/31/21/74/262312174.db2.gz JMGVXVUDFOICGM-VIFPVBQESA-N 0 3 263.316 2.424 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]2COC[C@H]21 ZINC000369216012 267226002 /nfs/dbraw/zinc/22/60/02/267226002.db2.gz RHWMNUFDQSTMOI-GXFFZTMASA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]2COC[C@H]21 ZINC000369216012 267226004 /nfs/dbraw/zinc/22/60/04/267226004.db2.gz RHWMNUFDQSTMOI-GXFFZTMASA-N 0 3 251.301 2.142 20 10 CECDHN Cc1cccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c1[O-] ZINC000369799177 267266272 /nfs/dbraw/zinc/26/62/72/267266272.db2.gz KUVDWEKZVANOAC-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H](O)C(F)F ZINC000296493892 276593272 /nfs/dbraw/zinc/59/32/72/276593272.db2.gz OTRCHNQAGJIQCN-OUJBWJOFSA-N 0 3 271.307 2.374 20 10 CECDHN COC(=O)N1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295962254 277333610 /nfs/dbraw/zinc/33/36/10/277333610.db2.gz MCWOWEPKKXMGEQ-ZDUSSCGKSA-N 0 3 290.363 2.200 20 10 CECDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C1CC1 ZINC000297776129 277589218 /nfs/dbraw/zinc/58/92/18/277589218.db2.gz PLLHELHKQBBQFV-FZMZJTMJSA-N 0 3 260.381 2.452 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000228089692 295168486 /nfs/dbraw/zinc/16/84/86/295168486.db2.gz LQJBFODDOCXRIV-RYUDHWBXSA-N 0 3 292.379 2.062 20 10 CECDHN Cc1nccn1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000273607977 327924264 /nfs/dbraw/zinc/92/42/64/327924264.db2.gz UWVPRAYAADYADH-SNVBAGLBSA-N 0 3 263.316 2.387 20 10 CECDHN C[C@H]1CN(C2CC[NH+](Cc3ccccc3[O-])CC2)CCO1 ZINC000179562870 329209834 /nfs/dbraw/zinc/20/98/34/329209834.db2.gz CNCVLQZUBVBQTF-AWEZNQCLSA-N 0 3 290.407 2.077 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cccc(C)c3O)[C@H]2C1 ZINC000180779195 329223009 /nfs/dbraw/zinc/22/30/09/329223009.db2.gz RUESITPTPINVBL-OWCLPIDISA-N 0 3 291.391 2.469 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000184805653 329262997 /nfs/dbraw/zinc/26/29/97/329262997.db2.gz SLAVYYMGUOASKN-UHFFFAOYSA-N 0 3 283.375 2.500 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCN(c2ccccn2)CC1 ZINC000184805653 329262998 /nfs/dbraw/zinc/26/29/98/329262998.db2.gz SLAVYYMGUOASKN-UHFFFAOYSA-N 0 3 283.375 2.500 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(N(C)C)CCCC2)c1 ZINC000160704641 330873990 /nfs/dbraw/zinc/87/39/90/330873990.db2.gz ULSBYTBSTQJNSP-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000224929983 333227377 /nfs/dbraw/zinc/22/73/77/333227377.db2.gz QOGSODXYHOWUFA-DZGCQCFKSA-N 0 3 263.337 2.058 20 10 CECDHN C[C@H]([NH2+]CCN1CCSCC1)c1cc(F)ccc1[O-] ZINC000230661680 333320128 /nfs/dbraw/zinc/32/01/28/333320128.db2.gz LAVOPLCGNWKEDS-NSHDSACASA-N 0 3 284.400 2.231 20 10 CECDHN CC(=O)Nc1ccc(CNCc2cc(C)ccc2O)cn1 ZINC000278740412 519717527 /nfs/dbraw/zinc/71/75/27/519717527.db2.gz VKKQPSTYBMWGST-UHFFFAOYSA-N 0 3 285.347 2.344 20 10 CECDHN CCCNC(=O)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000279949811 519880021 /nfs/dbraw/zinc/88/00/21/519880021.db2.gz BQHQWRHHNPKDBB-ZDUSSCGKSA-N 0 3 264.369 2.268 20 10 CECDHN CCOCCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000127459852 519920054 /nfs/dbraw/zinc/92/00/54/519920054.db2.gz YBEHDODFKWFSTC-UHFFFAOYSA-N 0 3 298.814 2.200 20 10 CECDHN CCCOc1ccc(C[N@H+](CCO)CCCOC)c([O-])c1 ZINC000276013766 520345994 /nfs/dbraw/zinc/34/59/94/520345994.db2.gz QDGDEWAMKXQLAP-UHFFFAOYSA-N 0 3 297.395 2.012 20 10 CECDHN CCCOc1ccc(C[N@@H+](CCO)CCCOC)c([O-])c1 ZINC000276013766 520346002 /nfs/dbraw/zinc/34/60/02/520346002.db2.gz QDGDEWAMKXQLAP-UHFFFAOYSA-N 0 3 297.395 2.012 20 10 CECDHN CCOc1cccc(CN2CC[C@H](n3cccn3)C2)c1O ZINC000365840123 521345073 /nfs/dbraw/zinc/34/50/73/521345073.db2.gz XCLIBDNFBMAOBG-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000365840123 521345083 /nfs/dbraw/zinc/34/50/83/521345083.db2.gz XCLIBDNFBMAOBG-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000365840123 521345089 /nfs/dbraw/zinc/34/50/89/521345089.db2.gz XCLIBDNFBMAOBG-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](CC)CCO)c1[O-] ZINC000094948291 521365156 /nfs/dbraw/zinc/36/51/56/521365156.db2.gz AVCVRXIZMRJZFH-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CC[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccc(C)cc1[O-] ZINC000280022416 522837270 /nfs/dbraw/zinc/83/72/70/522837270.db2.gz HOKUEAVPTNJLSQ-CQSZACIVSA-N 0 3 276.380 2.268 20 10 CECDHN COCCOCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000044694090 524010295 /nfs/dbraw/zinc/01/02/95/524010295.db2.gz NZBVENKEQZHFFI-LBPRGKRZSA-N 0 3 253.342 2.014 20 10 CECDHN COc1ccc(CN[C@@H](C)Cn2cccn2)cc1C ZINC000035272352 524074308 /nfs/dbraw/zinc/07/43/08/524074308.db2.gz NBQOLPBSRXWFNZ-ZDUSSCGKSA-N 0 3 259.353 2.378 20 10 CECDHN Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290414353 524377991 /nfs/dbraw/zinc/37/79/91/524377991.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290414353 524377994 /nfs/dbraw/zinc/37/79/94/524377994.db2.gz KFYQRUKATXVDGR-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1cc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)cc1C ZINC000291022849 525314397 /nfs/dbraw/zinc/31/43/97/525314397.db2.gz AMZLUFXKZJQYQP-CYBMUJFWSA-N 0 3 285.334 2.459 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCCOC[C@@H]2CCCO2)c1 ZINC000071406649 525350795 /nfs/dbraw/zinc/35/07/95/525350795.db2.gz LTHPTWRPKXXSLK-HNNXBMFYSA-N 0 3 279.380 2.376 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1 ZINC000037782913 525361482 /nfs/dbraw/zinc/36/14/82/525361482.db2.gz XPBWAIIYNGMFKI-QWHCGFSZSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471516 525821122 /nfs/dbraw/zinc/82/11/22/525821122.db2.gz NBTIDOCMEVDNAZ-WCQYABFASA-N 0 3 293.363 2.246 20 10 CECDHN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471516 525821129 /nfs/dbraw/zinc/82/11/29/525821129.db2.gz NBTIDOCMEVDNAZ-WCQYABFASA-N 0 3 293.363 2.246 20 10 CECDHN Cc1ccc([C@H](C)NCC2(S(C)(=O)=O)CC2)c(O)c1C ZINC000280879915 525916222 /nfs/dbraw/zinc/91/62/22/525916222.db2.gz DJKWLXFWXYMQQZ-LBPRGKRZSA-N 0 3 297.420 2.237 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1C ZINC000280879915 525916231 /nfs/dbraw/zinc/91/62/31/525916231.db2.gz DJKWLXFWXYMQQZ-LBPRGKRZSA-N 0 3 297.420 2.237 20 10 CECDHN COc1cccc(CNCc2ccnn2C(C)C)c1O ZINC000289471824 526027689 /nfs/dbraw/zinc/02/76/89/526027689.db2.gz PPHKWCDYXIPCSA-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN COc1cccc(CN[C@@H](CO)c2ccccc2)c1O ZINC000062999391 526032158 /nfs/dbraw/zinc/03/21/58/526032158.db2.gz GIIUBTLZDKDYHE-AWEZNQCLSA-N 0 3 273.332 2.224 20 10 CECDHN O=c1[nH]ccc2c1C[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC000277100933 526349102 /nfs/dbraw/zinc/34/91/02/526349102.db2.gz VIXYEBJYBRBPMN-UHFFFAOYSA-N 0 3 274.295 2.190 20 10 CECDHN O=c1[nH]ccc2c1C[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC000277100933 526349109 /nfs/dbraw/zinc/34/91/09/526349109.db2.gz VIXYEBJYBRBPMN-UHFFFAOYSA-N 0 3 274.295 2.190 20 10 CECDHN CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731872388 574604390 /nfs/dbraw/zinc/60/43/90/574604390.db2.gz HQBKWNLNTYCVBN-NSHDSACASA-N 0 3 282.409 2.304 20 10 CECDHN CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731872388 574604391 /nfs/dbraw/zinc/60/43/91/574604391.db2.gz HQBKWNLNTYCVBN-NSHDSACASA-N 0 3 282.409 2.304 20 10 CECDHN O=C(c1cc([O-])cs1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000732287767 574617969 /nfs/dbraw/zinc/61/79/69/574617969.db2.gz FZDWHBARJNUDSF-NSHDSACASA-N 0 3 280.393 2.154 20 10 CECDHN CCOc1ccc(O)c(CNC[C@H](OC)C(F)(F)F)c1 ZINC000733329618 574664871 /nfs/dbraw/zinc/66/48/71/574664871.db2.gz HXVBPRWMOIGZGV-LBPRGKRZSA-N 0 3 293.285 2.458 20 10 CECDHN CCOC[C@@H](O)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000733610309 574682531 /nfs/dbraw/zinc/68/25/31/574682531.db2.gz IBERZUBZBBQYKO-KRWDZBQOSA-N 0 3 294.439 2.362 20 10 CECDHN CCOCc1cc(CNCCC[S@@](C)=O)ccc1OC ZINC000735084984 574742108 /nfs/dbraw/zinc/74/21/08/574742108.db2.gz GAVVLKOERABWFX-HXUWFJFHSA-N 0 3 299.436 2.090 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccc(C)o1 ZINC000741260620 574979697 /nfs/dbraw/zinc/97/96/97/574979697.db2.gz IJXCXGNIAQKXGL-ZDUSSCGKSA-N 0 3 277.320 2.125 20 10 CECDHN COc1cccc(CNC(C)(C)c2cnn(C)c2)c1O ZINC000742374461 575018133 /nfs/dbraw/zinc/01/81/33/575018133.db2.gz YPRYXVBXHDTFIS-UHFFFAOYSA-N 0 3 275.352 2.159 20 10 CECDHN O=C(c1cc([O-])cs1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000743539924 575106170 /nfs/dbraw/zinc/10/61/70/575106170.db2.gz LOLORSOJUILPPS-UHFFFAOYSA-N 0 3 294.420 2.402 20 10 CECDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@@H+]1C ZINC000743536491 575106182 /nfs/dbraw/zinc/10/61/82/575106182.db2.gz KYBVIOOJAJVIST-NXEZZACHSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@@H]1C[C@H](N(C)C(=O)c2cc([O-])cs2)CC[N@H+]1C ZINC000743536491 575106183 /nfs/dbraw/zinc/10/61/83/575106183.db2.gz KYBVIOOJAJVIST-NXEZZACHSA-N 0 3 268.382 2.008 20 10 CECDHN C[C@@H]1C[C@H](N(C)C(=O)C2=CC(=O)CS2)CCN1C ZINC000743536491 575106184 /nfs/dbraw/zinc/10/61/84/575106184.db2.gz KYBVIOOJAJVIST-NXEZZACHSA-N 0 3 268.382 2.008 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](OC)C(C)C ZINC000744448895 575121299 /nfs/dbraw/zinc/12/12/99/575121299.db2.gz NYTCPWJIMSSWER-AWEZNQCLSA-N 0 3 253.342 2.161 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c1[O-] ZINC000746755677 575163934 /nfs/dbraw/zinc/16/39/34/575163934.db2.gz REMPLMHPTKGMGU-QWHCGFSZSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ncc(CNCc2ccccc2O)s1 ZINC000310303318 625451041 /nfs/dbraw/zinc/45/10/41/625451041.db2.gz UWGWQSZDZIZGBL-UHFFFAOYSA-N 0 3 250.323 2.147 20 10 CECDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])[C@@H](C)C[NH2+]1 ZINC000235680526 625707784 /nfs/dbraw/zinc/70/77/84/625707784.db2.gz UPOAQIGUTSYDOS-UWVGGRQHSA-N 0 3 299.212 2.337 20 10 CECDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cc(F)ccc1[O-] ZINC000902476892 634667370 /nfs/dbraw/zinc/66/73/70/634667370.db2.gz RKVCOPRSLPMYJL-YPWHJJHSSA-N 0 3 250.317 2.075 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1cc(F)ccc1[O-] ZINC000094617977 628929653 /nfs/dbraw/zinc/92/96/53/628929653.db2.gz NDHDVKSIXIUGRN-CMPLNLGQSA-N 0 3 264.344 2.419 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(C)C ZINC000840967051 628935719 /nfs/dbraw/zinc/93/57/19/628935719.db2.gz CSMABXLGPBWROL-OCCSQVGLSA-N 0 3 255.333 2.416 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840976503 628984544 /nfs/dbraw/zinc/98/45/44/628984544.db2.gz WYPGGBJGTOKECW-OAHLLOKOSA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000840976503 628984545 /nfs/dbraw/zinc/98/45/45/628984545.db2.gz WYPGGBJGTOKECW-OAHLLOKOSA-N 0 3 281.327 2.306 20 10 CECDHN COc1ccc(C[NH2+]Cc2cn(C)nc2C2CC2)c([O-])c1 ZINC000894184917 629196677 /nfs/dbraw/zinc/19/66/77/629196677.db2.gz HJEVUUQAFHMDDT-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN CON1CCC([N@H+](C)Cc2c(C)cccc2[O-])CC1 ZINC000877579197 629203146 /nfs/dbraw/zinc/20/31/46/629203146.db2.gz OABDBLPPLXUCHB-UHFFFAOYSA-N 0 3 264.369 2.158 20 10 CECDHN CON1CCC([N@@H+](C)Cc2c(C)cccc2[O-])CC1 ZINC000877579197 629203150 /nfs/dbraw/zinc/20/31/50/629203150.db2.gz OABDBLPPLXUCHB-UHFFFAOYSA-N 0 3 264.369 2.158 20 10 CECDHN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(F)ccc3[O-])O2)CO1 ZINC000895820279 630361926 /nfs/dbraw/zinc/36/19/26/630361926.db2.gz NEAQFVLZAMEJAV-XFJVYGCCSA-N 0 3 295.354 2.348 20 10 CECDHN Cc1ccc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c([O-])c1 ZINC000896667328 630632991 /nfs/dbraw/zinc/63/29/91/630632991.db2.gz JMCQUXZTIOUEKS-MRXNPFEDSA-N 0 3 279.380 2.374 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)c([O-])c1 ZINC000897051410 630910989 /nfs/dbraw/zinc/91/09/89/630910989.db2.gz WAQXSLXKMRCTRI-XMQYKBBCSA-N 0 3 277.364 2.473 20 10 CECDHN COCC1(C[NH2+]Cc2c([O-])cccc2OC)CCC1 ZINC000800279610 631106077 /nfs/dbraw/zinc/10/60/77/631106077.db2.gz JPUOMSQWBRMMMP-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC2(CCO2)CC1 ZINC000800538445 631133953 /nfs/dbraw/zinc/13/39/53/631133953.db2.gz YHQDMGUJMYACAK-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CSC1(C)C ZINC000801736048 631312909 /nfs/dbraw/zinc/31/29/09/631312909.db2.gz SQETZJNCZNRBQC-LBPRGKRZSA-N 0 3 253.367 2.384 20 10 CECDHN Cc1ccc(C[NH2+]CC2(C3(O)CCC3)CC2)c([O-])c1 ZINC000897524843 631641260 /nfs/dbraw/zinc/64/12/60/631641260.db2.gz FOXKEVADIXFDLB-UHFFFAOYSA-N 0 3 261.365 2.485 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808697834 632003043 /nfs/dbraw/zinc/00/30/43/632003043.db2.gz WTCKVEBFYYLOHK-CMPLNLGQSA-N 0 3 287.787 2.402 20 10 CECDHN CC[C@@](C)(C[NH2+]Cc1ccc(OC)cc1[O-])OC ZINC000322509248 632214058 /nfs/dbraw/zinc/21/40/58/632214058.db2.gz ILXVIDZNZONLDV-AWEZNQCLSA-N 0 3 253.342 2.306 20 10 CECDHN CCOCCOCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000927087415 632455498 /nfs/dbraw/zinc/45/54/98/632455498.db2.gz NQHRQQSJKGZBPC-LLVKDONJSA-N 0 3 271.332 2.235 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000812778430 632576505 /nfs/dbraw/zinc/57/65/05/632576505.db2.gz GERMNSXMOSZWPH-LBPRGKRZSA-N 0 3 285.771 2.399 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000812778430 632576510 /nfs/dbraw/zinc/57/65/10/632576510.db2.gz GERMNSXMOSZWPH-LBPRGKRZSA-N 0 3 285.771 2.399 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1c([O-])cccc1OC ZINC000814301479 632821900 /nfs/dbraw/zinc/82/19/00/632821900.db2.gz UPMKYSKACLZTRR-LBPRGKRZSA-N 0 3 294.395 2.043 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)C(C)(C)O)c([O-])c1 ZINC000815154474 632973547 /nfs/dbraw/zinc/97/35/47/632973547.db2.gz CXPQKHWKZFRHES-AWEZNQCLSA-N 0 3 267.369 2.430 20 10 CECDHN CN(C)c1ccc(CN(C(=O)Cc2c[nH]cn2)C2CC2)cc1 ZINC000900125753 633456791 /nfs/dbraw/zinc/45/67/91/633456791.db2.gz XPSDSSSPUYARKU-UHFFFAOYSA-N 0 3 298.390 2.209 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN)CC(C)C)c1 ZINC000817959799 633800518 /nfs/dbraw/zinc/80/05/18/633800518.db2.gz VGBJZVWMZMMJDC-DGCLKSJQSA-N 0 3 294.395 2.203 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817972630 633815431 /nfs/dbraw/zinc/81/54/31/633815431.db2.gz YUPWLFSBZGQKLI-OUJBWJOFSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971902 633815662 /nfs/dbraw/zinc/81/56/62/633815662.db2.gz QZHGFDAELJUULV-SCVCMEIPSA-N 0 3 252.333 2.322 20 10 CECDHN C[C@@H](N)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817973282 633817094 /nfs/dbraw/zinc/81/70/94/633817094.db2.gz SJJDJLWSRVZRRS-SFYZADRCSA-N 0 3 262.275 2.409 20 10 CECDHN C[N@@H+]1C[C@@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC000822520444 634935848 /nfs/dbraw/zinc/93/58/48/634935848.db2.gz BJCPZVQHCIZEBX-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1C[C@@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC000822520444 634935853 /nfs/dbraw/zinc/93/58/53/634935853.db2.gz BJCPZVQHCIZEBX-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000903343202 635071175 /nfs/dbraw/zinc/07/11/75/635071175.db2.gz NMUCIGPNYHIDTD-KGLIPLIRSA-N 0 3 278.396 2.154 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000824815070 635503420 /nfs/dbraw/zinc/50/34/20/635503420.db2.gz IBWSUQSSDGKHEI-SMDDNHRTSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000824815070 635503427 /nfs/dbraw/zinc/50/34/27/635503427.db2.gz IBWSUQSSDGKHEI-SMDDNHRTSA-N 0 3 265.353 2.258 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000824988380 635535797 /nfs/dbraw/zinc/53/57/97/635535797.db2.gz KZVXXWYJMBQZFF-JTQLQIEISA-N 0 3 256.777 2.394 20 10 CECDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)NCCc1ccccc1 ZINC000825035352 635544130 /nfs/dbraw/zinc/54/41/30/635544130.db2.gz HDJRCHRGTPZUFW-AWEZNQCLSA-N 0 3 298.386 2.229 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](O)C2CCC2)c([O-])c1 ZINC000825239988 635597286 /nfs/dbraw/zinc/59/72/86/635597286.db2.gz FGGFFJRABZTLTP-OAHLLOKOSA-N 0 3 265.353 2.042 20 10 CECDHN [NH3+]C1(CNCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000904449731 635640229 /nfs/dbraw/zinc/64/02/29/635640229.db2.gz KQGIVCQPEMWKDM-UHFFFAOYSA-N 0 3 261.152 2.280 20 10 CECDHN Cc1n[nH]c(CC[NH2+]Cc2cc(Cl)c(C)cc2[O-])n1 ZINC000825469026 635643911 /nfs/dbraw/zinc/64/39/11/635643911.db2.gz UAYYWSCFKGLOQI-UHFFFAOYSA-N 0 3 280.759 2.113 20 10 CECDHN COC(=O)N(C)CCN(C)Cc1ccc(N(C)C)cc1C ZINC000827346128 636301096 /nfs/dbraw/zinc/30/10/96/636301096.db2.gz FKSSDOHTWOLDIA-UHFFFAOYSA-N 0 3 293.411 2.191 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834562668 637868393 /nfs/dbraw/zinc/86/83/93/637868393.db2.gz UYGPOJZGWYVXJM-GJZGRUSLSA-N 0 3 290.407 2.080 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000834588336 637883184 /nfs/dbraw/zinc/88/31/84/637883184.db2.gz AXOJEIMKPIMJRZ-ZIAGYGMSSA-N 0 3 277.364 2.165 20 10 CECDHN CN(C)c1nccc(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000834702703 637923265 /nfs/dbraw/zinc/92/32/65/637923265.db2.gz STSXEVJOEPHPFN-CYBMUJFWSA-N 0 3 284.363 2.025 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCn3ccnc3C1)CC2 ZINC000834773551 637946824 /nfs/dbraw/zinc/94/68/24/637946824.db2.gz GUVVNMXSTVWCBF-OLZOCXBDSA-N 0 3 269.348 2.181 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000834880664 637976679 /nfs/dbraw/zinc/97/66/79/637976679.db2.gz ASQCXFWDNHIMPA-YWPYICTPSA-N 0 3 265.353 2.094 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834880470 637976904 /nfs/dbraw/zinc/97/69/04/637976904.db2.gz DGOAWIJTCQFXQU-XJKCOSOUSA-N 0 3 279.380 2.403 20 10 CECDHN CNC(=O)C[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834900547 637981585 /nfs/dbraw/zinc/98/15/85/637981585.db2.gz QRZIYUUBQPGPIZ-ATZCPNFKSA-N 0 3 280.343 2.194 20 10 CECDHN C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834897821 637981746 /nfs/dbraw/zinc/98/17/46/637981746.db2.gz WALZAWALRLJZGL-BXUZGUMPSA-N 0 3 271.364 2.334 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000834914456 637987256 /nfs/dbraw/zinc/98/72/56/637987256.db2.gz MYJZJDUSCFAFFX-OUCADQQQSA-N 0 3 274.364 2.196 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCCCNC2=O)cc1 ZINC000835037808 638033811 /nfs/dbraw/zinc/03/38/11/638033811.db2.gz XRUASKLPXUCXOX-SQRWCISFSA-N 0 3 287.407 2.024 20 10 CECDHN COc1ccc(CN[C@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835072272 638048301 /nfs/dbraw/zinc/04/83/01/638048301.db2.gz DZEUVLCEQDWVMP-CABCVRRESA-N 0 3 288.391 2.247 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCc2nc(C)ncc2C1 ZINC000876926478 650488567 /nfs/dbraw/zinc/48/85/67/650488567.db2.gz WOZMHYODYNSRRS-AWEZNQCLSA-N 0 3 283.375 2.446 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)N1CCCCC1 ZINC000876942813 650498305 /nfs/dbraw/zinc/49/83/05/650498305.db2.gz GEZABTSKEHGBOO-UHFFFAOYSA-N 0 3 276.380 2.193 20 10 CECDHN CC[C@H](C(=O)N(C)c1ccc(N)cc1)N(CC)CC ZINC000877077958 639519374 /nfs/dbraw/zinc/51/93/74/639519374.db2.gz XATLKIAJDNTFNG-CQSZACIVSA-N 0 3 263.385 2.352 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCCCNC1=O ZINC000840912914 639584136 /nfs/dbraw/zinc/58/41/36/639584136.db2.gz PABHPPZDMVUFPK-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840980354 639608306 /nfs/dbraw/zinc/60/83/06/639608306.db2.gz XHJROWMCZUYIHR-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840980354 639608311 /nfs/dbraw/zinc/60/83/11/639608311.db2.gz XHJROWMCZUYIHR-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000840978548 639609104 /nfs/dbraw/zinc/60/91/04/639609104.db2.gz OIMYYEWHCWHKJV-WDEREUQCSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000840978548 639609107 /nfs/dbraw/zinc/60/91/07/639609107.db2.gz OIMYYEWHCWHKJV-WDEREUQCSA-N 0 3 253.317 2.124 20 10 CECDHN N[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049637 639632079 /nfs/dbraw/zinc/63/20/79/639632079.db2.gz MNGPNBYNOWFCNC-NSHDSACASA-N 0 3 258.724 2.012 20 10 CECDHN [NH3+][C@@H](CNCc1cc(Cl)cc(F)c1[O-])C1CC1 ZINC000841049637 639632081 /nfs/dbraw/zinc/63/20/81/639632081.db2.gz MNGPNBYNOWFCNC-NSHDSACASA-N 0 3 258.724 2.012 20 10 CECDHN CCN[C@H](C)C[NH2+]Cc1cccc(Br)c1[O-] ZINC000841066828 639641554 /nfs/dbraw/zinc/64/15/54/639641554.db2.gz WUFZBYKOMXOLLI-SECBINFHSA-N 0 3 287.201 2.242 20 10 CECDHN CC[NH2+][C@H](C)CNCc1cccc(Br)c1[O-] ZINC000841066828 639641560 /nfs/dbraw/zinc/64/15/60/639641560.db2.gz WUFZBYKOMXOLLI-SECBINFHSA-N 0 3 287.201 2.242 20 10 CECDHN CC1(C)[NH2+]CC[C@@H]1NCc1cc(Br)ccc1[O-] ZINC000841085431 639650835 /nfs/dbraw/zinc/65/08/35/639650835.db2.gz CFKFAANQALHRGS-LBPRGKRZSA-N 0 3 299.212 2.385 20 10 CECDHN CCN(CC)C(=O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000228794848 639659450 /nfs/dbraw/zinc/65/94/50/639659450.db2.gz RGSLBUHZMBSYNR-SNVBAGLBSA-N 0 3 268.332 2.050 20 10 CECDHN C[C@H](NCC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000228796292 639659719 /nfs/dbraw/zinc/65/97/19/639659719.db2.gz BJHGUZBANGYKPC-ZDUSSCGKSA-N 0 3 275.396 2.026 20 10 CECDHN Cc1ccc(C[NH2+]CCC(=O)NCc2ccccc2)c([O-])c1 ZINC000876991111 650522517 /nfs/dbraw/zinc/52/25/17/650522517.db2.gz HKOHNEXIVFNWBG-UHFFFAOYSA-N 0 3 298.386 2.497 20 10 CECDHN CC[C@@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC000842153936 639968115 /nfs/dbraw/zinc/96/81/15/639968115.db2.gz XHLZRGLTRBOJCO-AWEZNQCLSA-N 0 3 296.386 2.381 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720375 640158458 /nfs/dbraw/zinc/15/84/58/640158458.db2.gz GRKUPTGQWGEIEM-OAHLLOKOSA-N 0 3 289.423 2.242 20 10 CECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@@]1(O)CCOC1 ZINC000842920950 640221296 /nfs/dbraw/zinc/22/12/96/640221296.db2.gz UKQTUCQXFLRAEZ-CXAGYDPISA-N 0 3 291.391 2.147 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914435591 640406728 /nfs/dbraw/zinc/40/67/28/640406728.db2.gz HSEDXUDQEZWFJI-QWHCGFSZSA-N 0 3 251.301 2.046 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CC[NH3+])c1[O-] ZINC000843384952 640412249 /nfs/dbraw/zinc/41/22/49/640412249.db2.gz LQJFMLCVWIXFAD-AWEZNQCLSA-N 0 3 294.370 2.437 20 10 CECDHN CCc1nn(C)c(OC)c1CNCc1ccc(C)cc1O ZINC000877135211 650589070 /nfs/dbraw/zinc/58/90/70/650589070.db2.gz TXEZWUGGPYMMPP-UHFFFAOYSA-N 0 3 289.379 2.295 20 10 CECDHN COc1ccc(N(C)CCN(C)CCC(C)=O)cc1 ZINC000844398716 640707646 /nfs/dbraw/zinc/70/76/46/640707646.db2.gz ACYLBMOFXCFMDK-UHFFFAOYSA-N 0 3 264.369 2.042 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846009417 641149491 /nfs/dbraw/zinc/14/94/91/641149491.db2.gz ZEQTVVSDMVATNB-UHFFFAOYSA-N 0 3 265.328 2.268 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000846096358 641179393 /nfs/dbraw/zinc/17/93/93/641179393.db2.gz GWODYRQELKZHGG-JSGCOSHPSA-N 0 3 276.380 2.301 20 10 CECDHN CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccccc1[O-] ZINC000846108708 641184307 /nfs/dbraw/zinc/18/43/07/641184307.db2.gz QTYGKMRMFNQUKM-GDBMZVCRSA-N 0 3 279.380 2.365 20 10 CECDHN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(F)ccc1[O-] ZINC000846214133 641225114 /nfs/dbraw/zinc/22/51/14/641225114.db2.gz SKEUTHVDMOFDAV-IAQYHMDHSA-N 0 3 283.343 2.114 20 10 CECDHN CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C ZINC000846474773 641312334 /nfs/dbraw/zinc/31/23/34/641312334.db2.gz BGJKVRBVJKKSIP-ZDUSSCGKSA-N 0 3 284.787 2.248 20 10 CECDHN Cc1ncsc1CNCc1cc2c(cc1O)OCO2 ZINC000071213059 641730609 /nfs/dbraw/zinc/73/06/09/641730609.db2.gz BUHNESQKYWADDF-UHFFFAOYSA-N 0 3 278.333 2.176 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccc(C)cc1O ZINC000877464722 650731642 /nfs/dbraw/zinc/73/16/42/650731642.db2.gz LPANPSLEPIQSPX-BJJXKVORSA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC000877466969 650732872 /nfs/dbraw/zinc/73/28/72/650732872.db2.gz UTBPCVCZWGPUJW-AAEUAGOBSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC000877466969 650732877 /nfs/dbraw/zinc/73/28/77/650732877.db2.gz UTBPCVCZWGPUJW-AAEUAGOBSA-N 0 3 263.337 2.084 20 10 CECDHN COc1ccc(CNC(=[NH2+])N2CCC[C@H](C)C2)c([O-])c1 ZINC000849025152 642238751 /nfs/dbraw/zinc/23/87/51/642238751.db2.gz QBXRPYUKGBDTTC-NSHDSACASA-N 0 3 277.368 2.157 20 10 CECDHN COCCO[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877502314 650753749 /nfs/dbraw/zinc/75/37/49/650753749.db2.gz FOQNWRHQSJMTMP-AWEZNQCLSA-N 0 3 279.380 2.328 20 10 CECDHN COCCO[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877502314 650753750 /nfs/dbraw/zinc/75/37/50/650753750.db2.gz FOQNWRHQSJMTMP-AWEZNQCLSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000877530985 650770963 /nfs/dbraw/zinc/77/09/63/650770963.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000877530985 650770965 /nfs/dbraw/zinc/77/09/65/650770965.db2.gz HFDWRDIIQHJVIZ-ZFWWWQNUSA-N 0 3 262.397 2.473 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000850342005 642673484 /nfs/dbraw/zinc/67/34/84/642673484.db2.gz PDIGATDFVNTWRQ-LBPRGKRZSA-N 0 3 265.353 2.448 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC000877528925 650769326 /nfs/dbraw/zinc/76/93/26/650769326.db2.gz NYAOFSBGDCQIFV-AWEZNQCLSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c([O-])c1 ZINC000877528925 650769329 /nfs/dbraw/zinc/76/93/29/650769329.db2.gz NYAOFSBGDCQIFV-AWEZNQCLSA-N 0 3 271.364 2.424 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](OCC)C2)c([O-])c1 ZINC000850360699 642682549 /nfs/dbraw/zinc/68/25/49/642682549.db2.gz NDJJLWKELZCBBN-MQMHXKEQSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](OC)[C@H]1CCOC1)c1ccccc1[O-] ZINC000850485155 642728682 /nfs/dbraw/zinc/72/86/82/642728682.db2.gz YCDBVEORJZBNSN-DUVNUKRYSA-N 0 3 279.380 2.484 20 10 CECDHN COC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CCOCC1 ZINC000850493879 642731937 /nfs/dbraw/zinc/73/19/37/642731937.db2.gz KWKQGCLWDQAQRZ-HUUCEWRRSA-N 0 3 291.391 2.411 20 10 CECDHN C[C@@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921939611 642797682 /nfs/dbraw/zinc/79/76/82/642797682.db2.gz ULILMYUOLQLJNA-CYBMUJFWSA-N 0 3 289.297 2.415 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000877561294 650790276 /nfs/dbraw/zinc/79/02/76/650790276.db2.gz DRHDOALIHDQKHV-ARFHVFGLSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)c([O-])c1 ZINC000877561294 650790278 /nfs/dbraw/zinc/79/02/78/650790278.db2.gz DRHDOALIHDQKHV-ARFHVFGLSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1(CS(C)(=O)=O)CCC1 ZINC000877591590 650804095 /nfs/dbraw/zinc/80/40/95/650804095.db2.gz GPSGGRJKHQZNAE-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN CO[C@@H]1COC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000839191550 644185280 /nfs/dbraw/zinc/18/52/80/644185280.db2.gz AGFJBNKHYOHORB-DLBZAZTESA-N 0 3 290.407 2.180 20 10 CECDHN C[C@@H]([NH2+][C@H](C)C1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000877755431 650898844 /nfs/dbraw/zinc/89/88/44/650898844.db2.gz AXYFYPUTRJKCJI-VXGBXAGGSA-N 0 3 297.420 2.256 20 10 CECDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758181 650900111 /nfs/dbraw/zinc/90/01/11/650900111.db2.gz LVXKAIMYSOWZSE-JULQROHOSA-N 0 3 263.337 2.240 20 10 CECDHN C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([O-])cs1 ZINC000855899540 644521749 /nfs/dbraw/zinc/52/17/49/644521749.db2.gz OELTYCUGDGOWQO-LLVKDONJSA-N 0 3 282.409 2.304 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(C)CCOC2)c([O-])c1 ZINC000756040697 644597398 /nfs/dbraw/zinc/59/73/98/644597398.db2.gz BAKZXTSWDBFUBQ-AWEZNQCLSA-N 0 3 251.326 2.060 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2[O-] ZINC000756638144 644677020 /nfs/dbraw/zinc/67/70/20/644677020.db2.gz RSXCFCWHAIGNDF-KOLCDFICSA-N 0 3 265.328 2.442 20 10 CECDHN COC(=O)N1CC([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756757802 644689391 /nfs/dbraw/zinc/68/93/91/644689391.db2.gz DPYHNOBYUDUHCY-GZMMTYOYSA-N 0 3 294.326 2.120 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2[O-] ZINC000756769926 644690218 /nfs/dbraw/zinc/69/02/18/644690218.db2.gz RVRHNZKEOVTUJO-PWSUYJOCSA-N 0 3 264.344 2.375 20 10 CECDHN C[C@@H]1C[C@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1F ZINC000843058860 644774311 /nfs/dbraw/zinc/77/43/11/644774311.db2.gz ZPQHOUWNHZZWPV-RKDXNWHRSA-N 0 3 272.751 2.354 20 10 CECDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO ZINC000857061204 644805981 /nfs/dbraw/zinc/80/59/81/644805981.db2.gz LXPZOBDMRFAHNT-OCCSQVGLSA-N 0 3 280.387 2.342 20 10 CECDHN CCOc1ccc(C[NH2+]C2COC(C)(C)OC2)c([O-])c1 ZINC000758010905 644871563 /nfs/dbraw/zinc/87/15/63/644871563.db2.gz WJNBYTDAMOUZEW-UHFFFAOYSA-N 0 3 281.352 2.032 20 10 CECDHN CN(C)c1cc(F)c(CNCCc2ccn(C)n2)cc1F ZINC000858156765 645077344 /nfs/dbraw/zinc/07/73/44/645077344.db2.gz MNOXMGYMXMLCID-UHFFFAOYSA-N 0 3 294.349 2.097 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000858322368 645117917 /nfs/dbraw/zinc/11/79/17/645117917.db2.gz UYSGPDOHWZLTBV-AULYBMBSSA-N 0 3 251.326 2.058 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000858473494 645173551 /nfs/dbraw/zinc/17/35/51/645173551.db2.gz OTSCKBDMEWODIG-JOYOIKCWSA-N 0 3 279.311 2.444 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)[C@@H]1CCSC1 ZINC000768261318 646102266 /nfs/dbraw/zinc/10/22/66/646102266.db2.gz BGDPMJDDWAWHES-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCSC1 ZINC000768261318 646102267 /nfs/dbraw/zinc/10/22/67/646102267.db2.gz BGDPMJDDWAWHES-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN COC[C@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402128 646261020 /nfs/dbraw/zinc/26/10/20/646261020.db2.gz BGVQWBDAAMRXCY-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402128 646261025 /nfs/dbraw/zinc/26/10/25/646261025.db2.gz BGVQWBDAAMRXCY-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000769528742 646282279 /nfs/dbraw/zinc/28/22/79/646282279.db2.gz ZBOFWHLVRKQREF-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c([O-])c1 ZINC000769528742 646282286 /nfs/dbraw/zinc/28/22/86/646282286.db2.gz ZBOFWHLVRKQREF-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000769709733 646305204 /nfs/dbraw/zinc/30/52/04/646305204.db2.gz JKALBZAACSABLZ-WCQYABFASA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(O)c(CN2CCSC[C@@H]2CCO)c1 ZINC000770306621 646378181 /nfs/dbraw/zinc/37/81/81/646378181.db2.gz ZDOMHOLARBXKIL-ZDUSSCGKSA-N 0 3 297.420 2.091 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1[O-] ZINC000862528046 646483841 /nfs/dbraw/zinc/48/38/41/646483841.db2.gz NJYDACBDRLFTGM-WVSHTKLVSA-N 0 3 255.745 2.215 20 10 CECDHN CC[C@@H]1[NH2+]CC[C@H]1NCc1c([O-])cccc1Cl ZINC000863481828 646739428 /nfs/dbraw/zinc/73/94/28/646739428.db2.gz LSVDTYRVZPWNON-NWDGAFQWSA-N 0 3 254.761 2.276 20 10 CECDHN CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[O-] ZINC000863484100 646740408 /nfs/dbraw/zinc/74/04/08/646740408.db2.gz TZGBMLXBAVFAKQ-NWDGAFQWSA-N 0 3 254.761 2.276 20 10 CECDHN CCN(C)c1ccc(CN2CCSC[C@H]2CCO)cc1 ZINC000773767120 646775011 /nfs/dbraw/zinc/77/50/11/646775011.db2.gz WYCLKKWGEQQZKE-MRXNPFEDSA-N 0 3 294.464 2.443 20 10 CECDHN CCN(C)c1ccc(CN2CCc3n[nH]c(=O)cc3C2)cc1 ZINC000773862434 646782229 /nfs/dbraw/zinc/78/22/29/646782229.db2.gz YUXLPYXHZFZYFP-UHFFFAOYSA-N 0 3 298.390 2.197 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H]1OC ZINC000774828508 646900674 /nfs/dbraw/zinc/90/06/74/646900674.db2.gz CQLDPMDJIWFPLN-BXUZGUMPSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@H](NCC(=O)N(C)C1CC1)c1ccc(N(C)C)cc1 ZINC000775832342 646997105 /nfs/dbraw/zinc/99/71/05/646997105.db2.gz ZGSCSSGRLWTPLJ-LBPRGKRZSA-N 0 3 275.396 2.024 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1ccccc1[O-] ZINC000779060674 647284857 /nfs/dbraw/zinc/28/48/57/647284857.db2.gz HXZMTXTWBQHKPI-NEPJUHHUSA-N 0 3 257.337 2.254 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC(CCCO)CC1 ZINC000783599485 647735507 /nfs/dbraw/zinc/73/55/07/647735507.db2.gz PLPIHPKRMSXICX-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cc(F)ccc1[O-] ZINC000866413785 647778975 /nfs/dbraw/zinc/77/89/75/647778975.db2.gz WGIARTMOFULALZ-YPMHNXCESA-N 0 3 296.386 2.027 20 10 CECDHN CCC1([NH+](C)C)CCN(C(=O)c2cccc(O)c2[O-])CC1 ZINC000870572899 648837586 /nfs/dbraw/zinc/83/75/86/648837586.db2.gz FMPWAZBBSSZMDA-UHFFFAOYSA-N 0 3 292.379 2.044 20 10 CECDHN C[C@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000873217340 649593747 /nfs/dbraw/zinc/59/37/47/649593747.db2.gz ZZOYOKPEMYWQHN-GXSJLCMTSA-N 0 3 254.761 2.072 20 10 CECDHN Nc1ccc2c(c1)OCCN(Cc1ccccc1O)C2 ZINC000873219583 649594754 /nfs/dbraw/zinc/59/47/54/649594754.db2.gz LXUKZSBDCYUVHZ-UHFFFAOYSA-N 0 3 270.332 2.369 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879649682 651335372 /nfs/dbraw/zinc/33/53/72/651335372.db2.gz SJVNHSIQWOFTHG-CHWSQXEVSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccccc1[O-] ZINC000879650099 651335615 /nfs/dbraw/zinc/33/56/15/651335615.db2.gz IPOOQPJPKQPNDL-NSHDSACASA-N 0 3 289.383 2.027 20 10 CECDHN COC(=O)CCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650220 651335844 /nfs/dbraw/zinc/33/58/44/651335844.db2.gz QEXGHYLEVNJUQP-LLVKDONJSA-N 0 3 251.326 2.386 20 10 CECDHN CN(CCC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000211512864 651661809 /nfs/dbraw/zinc/66/18/09/651661809.db2.gz SEVYHCYBOXJWBF-UHFFFAOYSA-N 0 3 256.777 2.429 20 10 CECDHN CC[C@@H]([NH2+]CC[S@@](=O)CC)c1ccccc1[O-] ZINC000132529671 652530744 /nfs/dbraw/zinc/53/07/44/652530744.db2.gz VTYKOFMQFDILNV-SJKOYZFVSA-N 0 3 255.383 2.202 20 10 CECDHN COCC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000697542268 806548655 /nfs/dbraw/zinc/54/86/55/806548655.db2.gz GROQCMAZYUUVQN-UHFFFAOYSA-N 0 3 271.744 2.323 20 10 CECDHN C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(Cl)cc1[O-] ZINC001205068555 807324389 /nfs/dbraw/zinc/32/43/89/807324389.db2.gz JWNSQYOEYYCDKF-CABZTGNLSA-N 0 3 254.761 2.357 20 10 CECDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003726 807562985 /nfs/dbraw/zinc/56/29/85/807562985.db2.gz GBTDTSCCOGKYKE-WBMJQRKESA-N 0 3 291.439 2.441 20 10 CECDHN COc1ccc(CN2CCC[C@@H]([NH3+])CC2)c([O-])c1Cl ZINC001205123933 807716198 /nfs/dbraw/zinc/71/61/98/807716198.db2.gz HNQORAFKXUJLEO-LLVKDONJSA-N 0 3 284.787 2.367 20 10 CECDHN COc1ccc(C[NH2+]Cc2cncc(OC)c2)c([O-])c1 ZINC000699777350 807841493 /nfs/dbraw/zinc/84/14/93/807841493.db2.gz BCXSXKDIUFCCRP-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000690321460 809209517 /nfs/dbraw/zinc/20/95/17/809209517.db2.gz GLAOZYCTKOBYBG-CYBMUJFWSA-N 0 3 266.360 2.494 20 10 CECDHN CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC001172027359 815272368 /nfs/dbraw/zinc/27/23/68/815272368.db2.gz VLDNXDVTZVUWNC-NWDGAFQWSA-N 0 3 262.353 2.054 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000704467092 809735607 /nfs/dbraw/zinc/73/56/07/809735607.db2.gz SVCRQBJSKFTNJN-CYBMUJFWSA-N 0 3 264.369 2.114 20 10 CECDHN COC[C@@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000710600975 810001729 /nfs/dbraw/zinc/00/17/29/810001729.db2.gz GJDQVOMEHJCDQS-CHWSQXEVSA-N 0 3 265.353 2.021 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168977156 811306584 /nfs/dbraw/zinc/30/65/84/811306584.db2.gz IKVJRLGUQSKPPG-SDDRHHMPSA-N 0 3 264.325 2.488 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035531 811347027 /nfs/dbraw/zinc/34/70/27/811347027.db2.gz BXXPYKBOIQOBCX-AAEUAGOBSA-N 0 3 264.325 2.269 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169035531 811347038 /nfs/dbraw/zinc/34/70/38/811347038.db2.gz BXXPYKBOIQOBCX-AAEUAGOBSA-N 0 3 264.325 2.269 20 10 CECDHN CC(C)OCC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172450642 815442440 /nfs/dbraw/zinc/44/24/40/815442440.db2.gz YWJZNGAYCNKAPL-NSHDSACASA-N 0 3 253.342 2.391 20 10 CECDHN CO[C@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172924078 815547086 /nfs/dbraw/zinc/54/70/86/815547086.db2.gz REIQKYWBIPHPQS-RYUDHWBXSA-N 0 3 251.326 2.145 20 10 CECDHN CC[C@H]([NH2+]C(COC)COC)c1ccccc1[O-] ZINC000388407203 813236443 /nfs/dbraw/zinc/23/64/43/813236443.db2.gz UNGZXJAFVACBPC-ZDUSSCGKSA-N 0 3 253.342 2.094 20 10 CECDHN Cc1ccc(O)c(CNCc2cccnc2N(C)C)c1 ZINC000113321586 813755661 /nfs/dbraw/zinc/75/56/61/813755661.db2.gz DVUQEJLHMBIHGT-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN O=C1CCN(Cc2c(O)cc(O)cc2O)[C@@H]2CCCC[C@H]12 ZINC001144500072 814089058 /nfs/dbraw/zinc/08/90/58/814089058.db2.gz OHLGQFLFEUXYAB-WCQYABFASA-N 0 3 291.347 2.137 20 10 CECDHN CC[NH+]1CCC(N(C)Cc2c([O-])cccc2F)CC1 ZINC001137837931 815692067 /nfs/dbraw/zinc/69/20/67/815692067.db2.gz ZUTJKJDDTWCHOL-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN Cc1c(CN2CC3(CN(C)C3)C2)c2ccccc2n1C ZINC001138260868 815758265 /nfs/dbraw/zinc/75/82/65/815758265.db2.gz VGFTWUOCTBXSCO-UHFFFAOYSA-N 0 3 269.392 2.234 20 10 CECDHN O=C1CCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)O1 ZINC001140055356 816179646 /nfs/dbraw/zinc/17/96/46/816179646.db2.gz SQMDVWJELJFHCP-UHFFFAOYSA-N 0 3 279.311 2.203 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCCNC3=O)CC2)c([O-])c1 ZINC001140950943 816424212 /nfs/dbraw/zinc/42/42/12/816424212.db2.gz QBXRYAVCXQAJCC-UHFFFAOYSA-N 0 3 288.391 2.193 20 10 CECDHN Cc1ccc(CN2CC(N3CCCCC3)C2)c(O)c1 ZINC001140951127 816424241 /nfs/dbraw/zinc/42/42/41/816424241.db2.gz ZSGPWWJOMHPALQ-UHFFFAOYSA-N 0 3 260.381 2.371 20 10 CECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140957732 816425360 /nfs/dbraw/zinc/42/53/60/816425360.db2.gz MAFJZJBZGLDYLV-CFVMTHIKSA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC001140957732 816425363 /nfs/dbraw/zinc/42/53/63/816425363.db2.gz MAFJZJBZGLDYLV-CFVMTHIKSA-N 0 3 289.375 2.474 20 10 CECDHN COc1cc(O)c(CN2CC3(C2)CCOCC3)c(OC)c1 ZINC001141026833 816449151 /nfs/dbraw/zinc/44/91/51/816449151.db2.gz FKYVCHFIIVSCFK-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN CC[N@H+](Cc1c([O-])cc(OC)cc1OC)CC(C)(C)O ZINC001141029166 816450585 /nfs/dbraw/zinc/45/05/85/816450585.db2.gz LATZFJFPZFKOCZ-UHFFFAOYSA-N 0 3 283.368 2.002 20 10 CECDHN CC[N@@H+](Cc1c([O-])cc(OC)cc1OC)CC(C)(C)O ZINC001141029166 816450586 /nfs/dbraw/zinc/45/05/86/816450586.db2.gz LATZFJFPZFKOCZ-UHFFFAOYSA-N 0 3 283.368 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(OC)c1 ZINC001141029577 816451573 /nfs/dbraw/zinc/45/15/73/816451573.db2.gz WKBUOQHBUBCERE-WDEREUQCSA-N 0 3 263.337 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H]3CC[C@@H]2C3)c(OC)c1 ZINC001141029577 816451578 /nfs/dbraw/zinc/45/15/78/816451578.db2.gz WKBUOQHBUBCERE-WDEREUQCSA-N 0 3 263.337 2.394 20 10 CECDHN COc1cc(O)c(CN(C)[C@@H]2CCCOC2)c(OC)c1 ZINC001141032581 816453088 /nfs/dbraw/zinc/45/30/88/816453088.db2.gz HRYIIAAVWOPPOG-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCCOC2)c(OC)c1 ZINC001141032581 816453091 /nfs/dbraw/zinc/45/30/91/816453091.db2.gz HRYIIAAVWOPPOG-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCCOC2)c(OC)c1 ZINC001141032581 816453093 /nfs/dbraw/zinc/45/30/93/816453093.db2.gz HRYIIAAVWOPPOG-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1ccc(CN[C@H](C)Cn2ccnc2)cc1C ZINC000035275346 361819844 /nfs/dbraw/zinc/81/98/44/361819844.db2.gz FOPXPUCQYRXFDR-CYBMUJFWSA-N 0 3 259.353 2.378 20 10 CECDHN CN(CCn1cccn1)Cc1c([O-])cccc1Cl ZINC000125294363 365671432 /nfs/dbraw/zinc/67/14/32/365671432.db2.gz ONOAESITNUFUBC-UHFFFAOYSA-N 0 3 265.744 2.374 20 10 CECDHN CN(CCn1cccn1)Cc1c(O)cccc1Cl ZINC000125294363 365671436 /nfs/dbraw/zinc/67/14/36/365671436.db2.gz ONOAESITNUFUBC-UHFFFAOYSA-N 0 3 265.744 2.374 20 10 CECDHN C[C@H]([NH2+]CCN1CCSCC1)c1ccccc1[O-] ZINC000223662142 539207070 /nfs/dbraw/zinc/20/70/70/539207070.db2.gz LLLWTTBDIPPFDO-LBPRGKRZSA-N 0 3 266.410 2.092 20 10 CECDHN Cc1cc(O)c(CN2CCC[C@@H]2C(=O)NC2CC2)cc1C ZINC000052086459 362463438 /nfs/dbraw/zinc/46/34/38/362463438.db2.gz GJCNYLFJDXTQSP-OAHLLOKOSA-N 0 3 288.391 2.252 20 10 CECDHN Cc1cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000135760949 366473946 /nfs/dbraw/zinc/47/39/46/366473946.db2.gz SHOXBCLMJNJNEX-NSHDSACASA-N 0 3 264.369 2.093 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000089636717 363986433 /nfs/dbraw/zinc/98/64/33/363986433.db2.gz OSRWJNDJKVYKHV-CHWSQXEVSA-N 0 3 298.452 2.226 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](C)C(=O)OC)c1 ZINC000091987002 364073475 /nfs/dbraw/zinc/07/34/75/364073475.db2.gz DSTQUTFBICWCQH-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)C(=O)OC)c1 ZINC000091987002 364073483 /nfs/dbraw/zinc/07/34/83/364073483.db2.gz DSTQUTFBICWCQH-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN COc1ccc(N2CCCN(Cc3cnc[nH]3)CC2)cc1 ZINC000092380721 364077550 /nfs/dbraw/zinc/07/75/50/364077550.db2.gz ZSVAXGFVSJUCNA-UHFFFAOYSA-N 0 3 286.379 2.131 20 10 CECDHN C[C@H](C[S@@](C)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515951 367355384 /nfs/dbraw/zinc/35/53/84/367355384.db2.gz IRNMNHHTHYJJGL-SOZUMNATSA-N 0 3 268.426 2.170 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccccc1[O-] ZINC000183338889 368623082 /nfs/dbraw/zinc/62/30/82/368623082.db2.gz IXMMHCNEGPJQQW-KGLIPLIRSA-N 0 3 276.380 2.442 20 10 CECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000191958389 369757042 /nfs/dbraw/zinc/75/70/42/369757042.db2.gz PAPSZABDVYYNNC-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000191958389 369757046 /nfs/dbraw/zinc/75/70/46/369757046.db2.gz PAPSZABDVYYNNC-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(F)ccc1[O-] ZINC000359956884 371494673 /nfs/dbraw/zinc/49/46/73/371494673.db2.gz FZFTVIOIWVGDDL-JOYOIKCWSA-N 0 3 275.327 2.463 20 10 CECDHN COc1cccc(C[NH2+]C[C@]2(O)CCc3ccccc32)c1[O-] ZINC000269798555 372568591 /nfs/dbraw/zinc/56/85/91/372568591.db2.gz IUUMETBCWLIXNO-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN CCN(CC)c1ccc(CN(CCO)C2CC2)cc1 ZINC000271067705 373102461 /nfs/dbraw/zinc/10/24/61/373102461.db2.gz JRVAPCIDROZXPI-UHFFFAOYSA-N 0 3 262.397 2.490 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](COC)C2)c1 ZINC000271158774 373151306 /nfs/dbraw/zinc/15/13/06/373151306.db2.gz DXWBQIVQGOHFIL-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](COC)C2)c1 ZINC000271158774 373151314 /nfs/dbraw/zinc/15/13/14/373151314.db2.gz DXWBQIVQGOHFIL-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])C(C)C ZINC000271244051 373184715 /nfs/dbraw/zinc/18/47/15/373184715.db2.gz BQRMHJNACYZQTJ-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])C(C)C ZINC000271244051 373184718 /nfs/dbraw/zinc/18/47/18/373184718.db2.gz BQRMHJNACYZQTJ-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)CCc2cnccn2)cc1C ZINC000271288357 373188052 /nfs/dbraw/zinc/18/80/52/373188052.db2.gz SJWGQDMFAHTYIX-UHFFFAOYSA-N 0 3 271.364 2.474 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)CCc2cnccn2)cc1C ZINC000271288357 373188056 /nfs/dbraw/zinc/18/80/56/373188056.db2.gz SJWGQDMFAHTYIX-UHFFFAOYSA-N 0 3 271.364 2.474 20 10 CECDHN Cc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000271778723 373201711 /nfs/dbraw/zinc/20/17/11/373201711.db2.gz DDNCILACGNWPHC-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN COc1ccc(O)c(CN2CCN(C3CCC3)CC2)c1 ZINC000271823382 373202500 /nfs/dbraw/zinc/20/25/00/373202500.db2.gz NRLCEWKADSQVAM-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000272625512 373587342 /nfs/dbraw/zinc/58/73/42/373587342.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H]3CCN(C)C[C@@H]32)c1[O-] ZINC000272625512 373587348 /nfs/dbraw/zinc/58/73/48/373587348.db2.gz MKGITCYIMNWNSH-HIFRSBDPSA-N 0 3 260.381 2.227 20 10 CECDHN C[C@@H]([NH2+]C[C@]1(N(C)C)CCSC1)c1ccccc1[O-] ZINC000272931964 373719181 /nfs/dbraw/zinc/71/91/81/373719181.db2.gz ZQRYRUNWPUVEKW-IUODEOHRSA-N 0 3 280.437 2.480 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000273175729 373748890 /nfs/dbraw/zinc/74/88/90/373748890.db2.gz NHPSVCBYGHDANU-HZPDHXFCSA-N 0 3 277.364 2.448 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000273414882 373755273 /nfs/dbraw/zinc/75/52/73/373755273.db2.gz QPWVFEVMCXYDGC-VXGBXAGGSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1C ZINC000273431175 373758174 /nfs/dbraw/zinc/75/81/74/373758174.db2.gz VSPOLYJWTXYKER-OAHLLOKOSA-N 0 3 292.423 2.382 20 10 CECDHN Cn1cccc1CNCc1ccc2c(c1)CCN2C ZINC000370951321 373760068 /nfs/dbraw/zinc/76/00/68/373760068.db2.gz WKHTWUVXNYIMDF-UHFFFAOYSA-N 0 3 255.365 2.307 20 10 CECDHN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(F)ccc1[O-] ZINC000273553333 373765539 /nfs/dbraw/zinc/76/55/39/373765539.db2.gz GJCUMRVQNLDEJK-JTQLQIEISA-N 0 3 280.343 2.228 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c([O-])c1 ZINC000273604681 373767161 /nfs/dbraw/zinc/76/71/61/373767161.db2.gz SVNMSCMTQZCGNC-LBPRGKRZSA-N 0 3 276.380 2.397 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911612 /nfs/dbraw/zinc/91/16/12/373911612.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1ccc(F)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371529024 373911619 /nfs/dbraw/zinc/91/16/19/373911619.db2.gz PPKACNFRBXHLQR-FVQBIDKESA-N 0 3 290.382 2.447 20 10 CECDHN Cc1cccc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274456174 373929997 /nfs/dbraw/zinc/92/99/97/373929997.db2.gz VMMBOFYRTQJJTO-UHFFFAOYSA-N 0 3 289.404 2.335 20 10 CECDHN COc1cccc(CN[C@H]2CCCc3nn(C)cc32)c1O ZINC000283061175 375647058 /nfs/dbraw/zinc/64/70/58/375647058.db2.gz TYUVPOQEHTVDCO-ZDUSSCGKSA-N 0 3 287.363 2.302 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC2(O)CCC2)c1 ZINC000284118214 375812710 /nfs/dbraw/zinc/81/27/10/375812710.db2.gz TUOBIXWIZIPBMJ-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(OC)C2CC2)c1 ZINC000291033072 377041686 /nfs/dbraw/zinc/04/16/86/377041686.db2.gz JGWAULHMEMOROQ-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000294715885 378015786 /nfs/dbraw/zinc/01/57/86/378015786.db2.gz FAAUBTYRHBPYSC-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CO)c1 ZINC000294715885 378015793 /nfs/dbraw/zinc/01/57/93/378015793.db2.gz FAAUBTYRHBPYSC-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294650396 378003253 /nfs/dbraw/zinc/00/32/53/378003253.db2.gz GSYYZPOKPBDWCJ-OLZOCXBDSA-N 0 3 267.369 2.057 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)CCCCO)c1 ZINC000294983411 378033032 /nfs/dbraw/zinc/03/30/32/378033032.db2.gz GROMCQBHMSLMDK-GFCCVEGCSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295057300 378037022 /nfs/dbraw/zinc/03/70/22/378037022.db2.gz NZELKLBJIGYBBC-LLVKDONJSA-N 0 3 267.369 2.430 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000295193034 378047205 /nfs/dbraw/zinc/04/72/05/378047205.db2.gz XNUKLRZVPXFQSU-HOCLYGCPSA-N 0 3 292.423 2.280 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294835857 378022374 /nfs/dbraw/zinc/02/23/74/378022374.db2.gz QKZDVXNZBQNEFP-AWEZNQCLSA-N 0 3 265.353 2.448 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1C ZINC000296078413 378411253 /nfs/dbraw/zinc/41/12/53/378411253.db2.gz XDACFCXNTZZSHA-AWEZNQCLSA-N 0 3 292.423 2.116 20 10 CECDHN O=C(CC[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCCCC1 ZINC000296143936 378430502 /nfs/dbraw/zinc/43/05/02/378430502.db2.gz WHMUMQURQOHKDX-CQSZACIVSA-N 0 3 288.391 2.372 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296307942 378485415 /nfs/dbraw/zinc/48/54/15/378485415.db2.gz DXIZCHZQJLHJFG-OLZOCXBDSA-N 0 3 290.363 2.200 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)NC2CC2)cc1 ZINC000296486033 378549197 /nfs/dbraw/zinc/54/91/97/378549197.db2.gz QIJIFNABEPDFLB-CYBMUJFWSA-N 0 3 289.423 2.290 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cc(F)ccc1[O-] ZINC000296500251 378553428 /nfs/dbraw/zinc/55/34/28/378553428.db2.gz PAULLJUNIYTUPK-FOGDFJRCSA-N 0 3 253.317 2.343 20 10 CECDHN CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCCO1 ZINC000296558992 378574752 /nfs/dbraw/zinc/57/47/52/378574752.db2.gz UDNQDOIEJWRWLC-LBPRGKRZSA-N 0 3 263.337 2.122 20 10 CECDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C1CC1 ZINC000297776124 378689932 /nfs/dbraw/zinc/68/99/32/378689932.db2.gz PLLHELHKQBBQFV-BXUZGUMPSA-N 0 3 260.381 2.452 20 10 CECDHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1[O-] ZINC000530216259 328716792 /nfs/dbraw/zinc/71/67/92/328716792.db2.gz PAIANCSNHFWMLZ-HZMBPMFUSA-N 0 3 264.344 2.467 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccccc1[O-] ZINC000037782113 394498108 /nfs/dbraw/zinc/49/81/08/394498108.db2.gz WGCDHYYFCQWVOX-GXTWGEPZSA-N 0 3 276.380 2.444 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CC[S@@](C)=O)c1[O-] ZINC000125566932 394844210 /nfs/dbraw/zinc/84/42/10/394844210.db2.gz BGCMNPWYVLVSIQ-WLRWDXFRSA-N 0 3 285.409 2.038 20 10 CECDHN CCOc1cccc(CN2CCN(C(C)C)CC2)c1O ZINC000132268903 394927358 /nfs/dbraw/zinc/92/73/58/394927358.db2.gz INEGPMPLXJSFNE-UHFFFAOYSA-N 0 3 278.396 2.317 20 10 CECDHN COc1ccc(O)c(CN(C)C[C@@H]2CCCO2)c1 ZINC000132958069 394940896 /nfs/dbraw/zinc/94/08/96/394940896.db2.gz HURCLGZFKOYFIE-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727749 394967899 /nfs/dbraw/zinc/96/78/99/394967899.db2.gz YUPUEWMBZUFQRZ-QWRGUYRKSA-N 0 3 294.395 2.355 20 10 CECDHN Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000373121954 395055408 /nfs/dbraw/zinc/05/54/08/395055408.db2.gz DHFZKASJRQEMFL-CQSZACIVSA-N 0 3 287.338 2.277 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000373152005 395056091 /nfs/dbraw/zinc/05/60/91/395056091.db2.gz IEDFCDHVYTXQLM-HOCLYGCPSA-N 0 3 277.364 2.128 20 10 CECDHN Oc1cc2c(cc1CN1CCOCC3(CCC3)C1)OCO2 ZINC000373392034 395060311 /nfs/dbraw/zinc/06/03/11/395060311.db2.gz KNVVJPPJKRNRPO-UHFFFAOYSA-N 0 3 291.347 2.123 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)cc1C ZINC000374268302 395078635 /nfs/dbraw/zinc/07/86/35/395078635.db2.gz FRTYETOKRYBSBP-WBVHZDCISA-N 0 3 291.391 2.437 20 10 CECDHN CC[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCS1 ZINC000173504122 395114212 /nfs/dbraw/zinc/11/42/12/395114212.db2.gz IFCRBOPDGFGSKJ-NSHDSACASA-N 0 3 281.377 2.448 20 10 CECDHN CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000174137496 395120825 /nfs/dbraw/zinc/12/08/25/395120825.db2.gz ZUGLWJSAXKVUPF-ZBFHGGJFSA-N 0 3 293.363 2.414 20 10 CECDHN CC[C@@H](C(=O)NCc1ccc(N(CC)CC)cc1)N(C)C ZINC000178006948 395159661 /nfs/dbraw/zinc/15/96/61/395159661.db2.gz LHVWFRRBSXEEAZ-INIZCTEOSA-N 0 3 291.439 2.489 20 10 CECDHN CCCOc1ccc(C[NH2+][C@](C)(CCO)COC)c([O-])c1 ZINC000175853446 400288548 /nfs/dbraw/zinc/28/85/48/400288548.db2.gz RPQRCTKOXDJYHD-MRXNPFEDSA-N 0 3 297.395 2.058 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291334934 286338194 /nfs/dbraw/zinc/33/81/94/286338194.db2.gz VCZPZUHOWAAFHV-ZDUSSCGKSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C(C)C)[C@H]2CCOC2)c1 ZINC000291334934 286338195 /nfs/dbraw/zinc/33/81/95/286338195.db2.gz VCZPZUHOWAAFHV-ZDUSSCGKSA-N 0 3 265.353 2.400 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1COc2ccccc2O1 ZINC000020137773 171025248 /nfs/dbraw/zinc/02/52/48/171025248.db2.gz SGKHITMUTPKPFQ-ZDUSSCGKSA-N 0 3 271.316 2.322 20 10 CECDHN COc1cccc(CN[C@H](C)c2cnn(C)c2C)c1O ZINC000020352716 171157089 /nfs/dbraw/zinc/15/70/89/171157089.db2.gz FBVBDZJWKCKQGW-SNVBAGLBSA-N 0 3 275.352 2.294 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000038013797 173984091 /nfs/dbraw/zinc/98/40/91/173984091.db2.gz WBNQLECLHJQAIT-NEPJUHHUSA-N 0 3 264.369 2.348 20 10 CECDHN C[NH2+]C[C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000071141937 176040361 /nfs/dbraw/zinc/04/03/61/176040361.db2.gz XDRHLWNEIBFTOO-SNVBAGLBSA-N 0 3 254.761 2.087 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c1 ZINC000036933341 260053064 /nfs/dbraw/zinc/05/30/64/260053064.db2.gz DVJPPXAUASXYHM-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN CCCN(CC(=O)N(CC)CC)Cc1ccccc1O ZINC000075829204 260292136 /nfs/dbraw/zinc/29/21/36/260292136.db2.gz UGBZYKAXNCARFX-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000156376789 261121413 /nfs/dbraw/zinc/12/14/13/261121413.db2.gz NQZLHCSBDXBHEU-OCCSQVGLSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccccc1[O-] ZINC000156563338 261126328 /nfs/dbraw/zinc/12/63/28/261126328.db2.gz WKDVJAZHISCEDK-DGCLKSJQSA-N 0 3 285.409 2.256 20 10 CECDHN CC[N@@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@@H]1CCCO1 ZINC000159923619 261198244 /nfs/dbraw/zinc/19/82/44/261198244.db2.gz VHVPLBLZZPLSFC-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN CC[N@H+](Cc1cc(OC)c(OC)cc1[O-])C[C@@H]1CCCO1 ZINC000159923619 261198246 /nfs/dbraw/zinc/19/82/46/261198246.db2.gz VHVPLBLZZPLSFC-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN CCN(Cc1cc(OC)c(OC)cc1O)C[C@@H]1CCCO1 ZINC000159923619 261198247 /nfs/dbraw/zinc/19/82/47/261198247.db2.gz VHVPLBLZZPLSFC-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN C[C@@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470670 261390595 /nfs/dbraw/zinc/39/05/95/261390595.db2.gz RERFLIOPZIZFEJ-CYBMUJFWSA-N 0 3 289.423 2.419 20 10 CECDHN COc1cc([O-])c(C[NH2+]C2(C)CCOCC2)cc1OC ZINC000182654228 261946865 /nfs/dbraw/zinc/94/68/65/261946865.db2.gz CSRJMCKYXLXOTB-UHFFFAOYSA-N 0 3 281.352 2.068 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185318317 262050954 /nfs/dbraw/zinc/05/09/54/262050954.db2.gz XUBWENHTKWTETL-BXKDBHETSA-N 0 3 290.342 2.097 20 10 CECDHN C[NH+](C)CC[C@@H](NC(=O)c1cccc(O)c1[O-])C(C)(C)C ZINC000185673182 262065426 /nfs/dbraw/zinc/06/54/26/262065426.db2.gz VLOFCFYXPPMZNM-CYBMUJFWSA-N 0 3 294.395 2.194 20 10 CECDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)c1 ZINC000186047805 262077460 /nfs/dbraw/zinc/07/74/60/262077460.db2.gz UQZWSFFMYJVVNK-OCCSQVGLSA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088350 262078987 /nfs/dbraw/zinc/07/89/87/262078987.db2.gz DJRSHICQWRIMAP-NWDGAFQWSA-N 0 3 274.364 2.115 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000186540060 262098177 /nfs/dbraw/zinc/09/81/77/262098177.db2.gz PTZOGMSTAVEPIP-DINDLPBHSA-N 0 3 255.383 2.118 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141843 262302963 /nfs/dbraw/zinc/30/29/63/262302963.db2.gz TWXDGJBHYKEHIE-RYUDHWBXSA-N 0 3 264.369 2.146 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[C@H](C)O)c1 ZINC000185521210 262305854 /nfs/dbraw/zinc/30/58/54/262305854.db2.gz UREYOKZFOMPGCO-SRVKXCTJSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@H](O)[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543283 263006163 /nfs/dbraw/zinc/00/61/63/263006163.db2.gz PPNXEPSESJJJMF-WCQYABFASA-N 0 3 266.360 2.094 20 10 CECDHN Cc1cc(CN(C)C2(C(N)=O)CCCC2)ccc1N(C)C ZINC000293866398 263151168 /nfs/dbraw/zinc/15/11/68/263151168.db2.gz SHYWDNUTGHEPFD-UHFFFAOYSA-N 0 3 289.423 2.291 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368043501 267141134 /nfs/dbraw/zinc/14/11/34/267141134.db2.gz QBBRMMIKTAWDKT-VXGBXAGGSA-N 0 3 277.364 2.430 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000369925693 267277299 /nfs/dbraw/zinc/27/72/99/267277299.db2.gz XBGSCINSGFVKPA-GXTWGEPZSA-N 0 3 272.352 2.382 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](n2cncn2)C1 ZINC000369925693 267277303 /nfs/dbraw/zinc/27/73/03/267277303.db2.gz XBGSCINSGFVKPA-GXTWGEPZSA-N 0 3 272.352 2.382 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H](OC)CC2)c1[O-] ZINC000377243198 268059131 /nfs/dbraw/zinc/05/91/31/268059131.db2.gz ISCLNEFHDCXKMV-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H](OC)CC2)c1[O-] ZINC000377243198 268059132 /nfs/dbraw/zinc/05/91/32/268059132.db2.gz ISCLNEFHDCXKMV-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295819091 276151773 /nfs/dbraw/zinc/15/17/73/276151773.db2.gz DFJLXMAMRWTLOP-CQSZACIVSA-N 0 3 260.381 2.453 20 10 CECDHN C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037782037 278185170 /nfs/dbraw/zinc/18/51/70/278185170.db2.gz IWVFYIFRMQJMNZ-VXGBXAGGSA-N 0 3 262.353 2.054 20 10 CECDHN Cc1c(C[NH2+][C@H]2CCc3cccc([O-])c32)cnn1C ZINC000296796687 280227913 /nfs/dbraw/zinc/22/79/13/280227913.db2.gz LHDSVNBVDMGRAT-ZDUSSCGKSA-N 0 3 257.337 2.211 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c([O-])c1C ZINC000273470139 301787335 /nfs/dbraw/zinc/78/73/35/301787335.db2.gz RVMIBZZQFYSYDF-RSNWOKGLSA-N 0 3 269.410 2.427 20 10 CECDHN CN(C)c1ccc(CN(C)CCN(C)C2CC2)cc1F ZINC000290585574 328259502 /nfs/dbraw/zinc/25/95/02/328259502.db2.gz UYELDGCYQIUNLF-UHFFFAOYSA-N 0 3 279.403 2.418 20 10 CECDHN CCCCN(CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000091950341 327187833 /nfs/dbraw/zinc/18/78/33/327187833.db2.gz WMPNHFMFGXQZDM-UHFFFAOYSA-N 0 3 264.369 2.096 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C1CC1 ZINC000377688616 329024571 /nfs/dbraw/zinc/02/45/71/329024571.db2.gz CLRZPQQTAWZYAU-KGLIPLIRSA-N 0 3 293.338 2.162 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C1CC1 ZINC000377688616 329024572 /nfs/dbraw/zinc/02/45/72/329024572.db2.gz CLRZPQQTAWZYAU-KGLIPLIRSA-N 0 3 293.338 2.162 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC1(C)C ZINC000378369336 329047812 /nfs/dbraw/zinc/04/78/12/329047812.db2.gz IWKYLHQMHWYHHL-ZDUSSCGKSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC1(C)C ZINC000378369336 329047813 /nfs/dbraw/zinc/04/78/13/329047813.db2.gz IWKYLHQMHWYHHL-ZDUSSCGKSA-N 0 3 277.364 2.332 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000378491843 329052528 /nfs/dbraw/zinc/05/25/28/329052528.db2.gz HFRUVQILEVKVEV-UHFFFAOYSA-N 0 3 298.390 2.310 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000180615925 329221334 /nfs/dbraw/zinc/22/13/34/329221334.db2.gz WUGRSGDGWMQKCO-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000180615925 329221335 /nfs/dbraw/zinc/22/13/35/329221335.db2.gz WUGRSGDGWMQKCO-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN CCC[C@H](CCO)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224876621 333227040 /nfs/dbraw/zinc/22/70/40/333227040.db2.gz RXIRSTYMVCMMLA-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000230934239 333322665 /nfs/dbraw/zinc/32/26/65/333322665.db2.gz WKDWJSJFGWZHDU-GFCCVEGCSA-N 0 3 284.787 2.238 20 10 CECDHN COc1cc(O)c(CNCc2cccnc2C)cc1OC ZINC000529660874 333504254 /nfs/dbraw/zinc/50/42/54/333504254.db2.gz GQZAFAKOUGXZHX-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCn2ccnc2C)c1 ZINC000271810272 334746859 /nfs/dbraw/zinc/74/68/59/334746859.db2.gz LWSHNMHZIGSTLQ-LLVKDONJSA-N 0 3 275.352 2.257 20 10 CECDHN CC(C)N1C[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554016 519697460 /nfs/dbraw/zinc/69/74/60/519697460.db2.gz WLEHMXLDYZPZQK-DZGCQCFKSA-N 0 3 289.423 2.413 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291270811 521147776 /nfs/dbraw/zinc/14/77/76/521147776.db2.gz NUSKCUWDUHSTLV-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)c1 ZINC000291270811 521147784 /nfs/dbraw/zinc/14/77/84/521147784.db2.gz NUSKCUWDUHSTLV-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@H](n3cccn3)C2)c1 ZINC000291270811 521147792 /nfs/dbraw/zinc/14/77/92/521147792.db2.gz NUSKCUWDUHSTLV-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C2(C)CCOCC2)c1 ZINC000131135267 521147925 /nfs/dbraw/zinc/14/79/25/521147925.db2.gz SITINNHYVMIXQD-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCc2nnc(C)s2)c1 ZINC000289985862 521151795 /nfs/dbraw/zinc/15/17/95/521151795.db2.gz XCVABIZNKKATPX-UHFFFAOYSA-N 0 3 293.392 2.283 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CCCO)c1[O-] ZINC000094941579 521368947 /nfs/dbraw/zinc/36/89/47/521368947.db2.gz IDKWQDVCTNWIKN-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN CCCN(CC(=O)N1CCCC1)Cc1ccccc1O ZINC000076074351 521532583 /nfs/dbraw/zinc/53/25/83/521532583.db2.gz GXUGEKCTWCWRRZ-UHFFFAOYSA-N 0 3 276.380 2.227 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280282057 521745584 /nfs/dbraw/zinc/74/55/84/521745584.db2.gz YOIBUOJHZHJGIK-WCQYABFASA-N 0 3 264.369 2.266 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN(C)CC(C)(C)C)cc1 ZINC000263748206 522187207 /nfs/dbraw/zinc/18/72/07/522187207.db2.gz GCTLODSMDBSESR-UHFFFAOYSA-N 0 3 291.439 2.347 20 10 CECDHN COCCCN(CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000126157484 523255092 /nfs/dbraw/zinc/25/50/92/523255092.db2.gz ZILIZFVQJVVZGS-UHFFFAOYSA-N 0 3 298.402 2.377 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+]([C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794275 524011271 /nfs/dbraw/zinc/01/12/71/524011271.db2.gz ASZNHWVCSUBYRE-MEDUHNTESA-N 0 3 293.363 2.347 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+]([C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794275 524011277 /nfs/dbraw/zinc/01/12/77/524011277.db2.gz ASZNHWVCSUBYRE-MEDUHNTESA-N 0 3 293.363 2.347 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000290279681 524080118 /nfs/dbraw/zinc/08/01/18/524080118.db2.gz YXPCJNUOKJQLGW-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000290279681 524080119 /nfs/dbraw/zinc/08/01/19/524080119.db2.gz YXPCJNUOKJQLGW-CQSZACIVSA-N 0 3 292.379 2.411 20 10 CECDHN Cc1cccc(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280380059 524411553 /nfs/dbraw/zinc/41/15/53/524411553.db2.gz WBEBTJVJICXZDN-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280380059 524411561 /nfs/dbraw/zinc/41/15/61/524411561.db2.gz WBEBTJVJICXZDN-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280380059 524411571 /nfs/dbraw/zinc/41/15/71/524411571.db2.gz WBEBTJVJICXZDN-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281071303 524768803 /nfs/dbraw/zinc/76/88/03/524768803.db2.gz OGOCLBCPEJUQGK-YBTHPKLGSA-N 0 3 297.420 2.353 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(O)CCCC2)c1 ZINC000087016670 524769087 /nfs/dbraw/zinc/76/90/87/524769087.db2.gz SUZFPAAJLBTCNT-NSHDSACASA-N 0 3 265.353 2.357 20 10 CECDHN COc1ncccc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000290798141 525046346 /nfs/dbraw/zinc/04/63/46/525046346.db2.gz FBJHMQFVSVJNLY-UHFFFAOYSA-N 0 3 276.311 2.267 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)CCCn2ccnc2)c1 ZINC000290323399 525340625 /nfs/dbraw/zinc/34/06/25/525340625.db2.gz DDBHZQKRKFCGGI-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000290323399 525340632 /nfs/dbraw/zinc/34/06/32/525340632.db2.gz DDBHZQKRKFCGGI-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(F)ccc1[O-] ZINC000297368741 525633439 /nfs/dbraw/zinc/63/34/39/525633439.db2.gz QJWOIDKDPUYRDD-TZMCWYRMSA-N 0 3 296.386 2.029 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)c([O-])c1 ZINC000128122752 525727267 /nfs/dbraw/zinc/72/72/67/525727267.db2.gz LUUCRDLUJQAZLF-GFCCVEGCSA-N 0 3 259.353 2.327 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c([O-])c1C ZINC000280975244 525921615 /nfs/dbraw/zinc/92/16/15/525921615.db2.gz VUFYSOYOOUCCGM-ZNMIVQPWSA-N 0 3 293.407 2.305 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1[O-] ZINC000237213130 526019029 /nfs/dbraw/zinc/01/90/29/526019029.db2.gz LLNVDHNIAQKQJK-OAHLLOKOSA-N 0 3 287.359 2.094 20 10 CECDHN C[C@H](C(=O)NCCc1ccc(N)cc1)[C@H](N)c1ccccc1 ZINC000262583174 526056364 /nfs/dbraw/zinc/05/63/64/526056364.db2.gz RJMFASYWBCUFBX-GUYCJALGSA-N 0 3 297.402 2.264 20 10 CECDHN C[C@@H](C(=O)NCc1ccccc1O)N1CCCCCC1 ZINC000735857103 574769398 /nfs/dbraw/zinc/76/93/98/574769398.db2.gz MVUMUNXJHWREQS-ZDUSSCGKSA-N 0 3 276.380 2.273 20 10 CECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000741139156 574976846 /nfs/dbraw/zinc/97/68/46/574976846.db2.gz DBBUXIZVWUKJQU-KBPBESRZSA-N 0 3 289.423 2.242 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)CC(N)=O)cc1F ZINC000749132698 575206883 /nfs/dbraw/zinc/20/68/83/575206883.db2.gz VCOBQKCCOFHNIW-NSHDSACASA-N 0 3 281.375 2.025 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000031994849 623074097 /nfs/dbraw/zinc/07/40/97/623074097.db2.gz DHKDJUZINNPYCT-CQSZACIVSA-N 0 3 266.772 2.231 20 10 CECDHN CCn1cc(CNCc2cccc(OC)c2O)c(C)n1 ZINC000020352703 627944379 /nfs/dbraw/zinc/94/43/79/627944379.db2.gz AADZCAPGQRLJIC-UHFFFAOYSA-N 0 3 275.352 2.215 20 10 CECDHN C[C@@H]1CN(C)[C@@H](C)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983111 628354163 /nfs/dbraw/zinc/35/41/63/628354163.db2.gz BCEMKENWEYEHSW-QWHCGFSZSA-N 0 3 279.403 2.416 20 10 CECDHN COCCOCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312845242 628545849 /nfs/dbraw/zinc/54/58/49/628545849.db2.gz PPPQSWQLZGOCHS-AWEZNQCLSA-N 0 3 279.380 2.412 20 10 CECDHN C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cc(F)ccc1[O-] ZINC000902449414 634672278 /nfs/dbraw/zinc/67/22/78/634672278.db2.gz OCKSYPBVVWOCHX-ZANVPECISA-N 0 3 252.333 2.180 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccccc1F ZINC000060358335 628917546 /nfs/dbraw/zinc/91/75/46/628917546.db2.gz GETZZGBUQGSYET-HNNXBMFYSA-N 0 3 261.296 2.355 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(C)C ZINC000840967052 628936629 /nfs/dbraw/zinc/93/66/29/628936629.db2.gz CSMABXLGPBWROL-TZMCWYRMSA-N 0 3 255.333 2.416 20 10 CECDHN COc1cc(C)cc(CN[C@H]2c3ccccc3C[C@H]2O)c1O ZINC000894340529 629370698 /nfs/dbraw/zinc/37/06/98/629370698.db2.gz PKOAKGHWNCTJPP-WBVHZDCISA-N 0 3 299.370 2.457 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCOC3(CCOCC3)C2)c1 ZINC000164528695 629855874 /nfs/dbraw/zinc/85/58/74/629855874.db2.gz RULWGQYPGJALAC-UHFFFAOYSA-N 0 3 291.391 2.390 20 10 CECDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000320154114 630001169 /nfs/dbraw/zinc/00/11/69/630001169.db2.gz JTGWYFQWVJHVQL-NSHDSACASA-N 0 3 265.353 2.460 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000895590534 630267789 /nfs/dbraw/zinc/26/77/89/630267789.db2.gz HALUINQOCSCNQK-GFCCVEGCSA-N 0 3 279.311 2.065 20 10 CECDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000895853826 630378155 /nfs/dbraw/zinc/37/81/55/630378155.db2.gz HXHZYVSZJLKWGA-BXUZGUMPSA-N 0 3 283.343 2.063 20 10 CECDHN COC(=O)C[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)C[C@H]1C ZINC000896472632 630569610 /nfs/dbraw/zinc/56/96/10/630569610.db2.gz RWVUNMZCDCQGIK-VXGBXAGGSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)C[C@H]1C ZINC000896472632 630569612 /nfs/dbraw/zinc/56/96/12/630569612.db2.gz RWVUNMZCDCQGIK-VXGBXAGGSA-N 0 3 293.363 2.032 20 10 CECDHN COc1ccc(CN2CCO[C@@H](C)CC2)c(O)c1OC ZINC000896572106 630600803 /nfs/dbraw/zinc/60/08/03/630600803.db2.gz DBKKFWFODXVHRS-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000798089231 630810747 /nfs/dbraw/zinc/81/07/47/630810747.db2.gz NKKXKDXBJKZIGQ-MFKMUULPSA-N 0 3 281.327 2.353 20 10 CECDHN Oc1ccccc1CNCc1cc(C(F)(F)F)n[nH]1 ZINC000799337134 631014562 /nfs/dbraw/zinc/01/45/62/631014562.db2.gz RREDYNQOWHPNHY-UHFFFAOYSA-N 0 3 271.242 2.424 20 10 CECDHN Cc1ccc(CN(C)Cc2cccc(=O)[nH]2)c(O)c1 ZINC000897391245 631275101 /nfs/dbraw/zinc/27/51/01/631275101.db2.gz JYHAPCIRAXOIEU-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1cc(F)ccc1[O-] ZINC000806178033 631724665 /nfs/dbraw/zinc/72/46/65/631724665.db2.gz BNSCQXCMMVPUSO-AAEUAGOBSA-N 0 3 290.338 2.353 20 10 CECDHN C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([O-])cs1 ZINC000807776953 631870954 /nfs/dbraw/zinc/87/09/54/631870954.db2.gz JILBXJLCAOGLTH-JQWIXIFHSA-N 0 3 280.393 2.153 20 10 CECDHN C[C@H]1[C@@H](N2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776953 631870955 /nfs/dbraw/zinc/87/09/55/631870955.db2.gz JILBXJLCAOGLTH-JQWIXIFHSA-N 0 3 280.393 2.153 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000808677837 631999225 /nfs/dbraw/zinc/99/92/25/631999225.db2.gz FJSGHTMVBSNPPA-JQWIXIFHSA-N 0 3 285.771 2.420 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709940 632004309 /nfs/dbraw/zinc/00/43/09/632004309.db2.gz JIMLKGZUGNTZQW-PWSUYJOCSA-N 0 3 287.787 2.402 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1[O-] ZINC000808716095 632005134 /nfs/dbraw/zinc/00/51/34/632005134.db2.gz JBIHUBGZZQGNTN-ZJUUUORDSA-N 0 3 284.787 2.481 20 10 CECDHN CCCn1cc(CNCc2cccc(OC)c2O)cn1 ZINC000809740207 632135595 /nfs/dbraw/zinc/13/55/95/632135595.db2.gz PPAWVKAQTLENKX-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCOc1ccc(O)c(CN(C)[C@H](CO)COC(C)C)c1 ZINC000809768774 632143808 /nfs/dbraw/zinc/14/38/08/632143808.db2.gz WOOWJMOPJZLJAM-CQSZACIVSA-N 0 3 297.395 2.009 20 10 CECDHN C[C@@H]1[NH2+]CCC[C@@H]1NCc1c([O-])cccc1Cl ZINC000841066225 632425276 /nfs/dbraw/zinc/42/52/76/632425276.db2.gz YLTCVRGSBYSKDF-CABZTGNLSA-N 0 3 254.761 2.276 20 10 CECDHN COC(=O)C1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000898611170 632560223 /nfs/dbraw/zinc/56/02/23/632560223.db2.gz KPAKAEWOHCQLEJ-UHFFFAOYSA-N 0 3 281.327 2.353 20 10 CECDHN CN(C)c1ccc(CN[C@H](CC(N)=O)c2ccccc2)cc1 ZINC000815154064 632973422 /nfs/dbraw/zinc/97/34/22/632973422.db2.gz KFYXBUCBWLRYGM-QGZVFWFLSA-N 0 3 297.402 2.459 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c([O-])c1 ZINC000815160114 632974562 /nfs/dbraw/zinc/97/45/62/632974562.db2.gz PYONITMESVRFMB-BLLLJJGKSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817954593 633798837 /nfs/dbraw/zinc/79/88/37/633798837.db2.gz ZMDVMWFKTLKAMD-DGCLKSJQSA-N 0 3 252.333 2.324 20 10 CECDHN CC(C)[C@H](N)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959893 633803127 /nfs/dbraw/zinc/80/31/27/633803127.db2.gz WKGLEXBEOPAZRZ-PRHODGIISA-N 0 3 258.312 2.304 20 10 CECDHN CC(C)[C@H]([NH3+])CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959893 633803131 /nfs/dbraw/zinc/80/31/31/633803131.db2.gz WKGLEXBEOPAZRZ-PRHODGIISA-N 0 3 258.312 2.304 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](SC)C1 ZINC000824683576 635478109 /nfs/dbraw/zinc/47/81/09/635478109.db2.gz QIIHLBVHQKEYQM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](SC)C1 ZINC000824683576 635478111 /nfs/dbraw/zinc/47/81/11/635478111.db2.gz QIIHLBVHQKEYQM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN CN(C)c1ccc(CNC2(CF)CCOCC2)cc1 ZINC000824690402 635478123 /nfs/dbraw/zinc/47/81/23/635478123.db2.gz DDKJRUSAPWFARQ-UHFFFAOYSA-N 0 3 266.360 2.361 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845091 635509925 /nfs/dbraw/zinc/50/99/25/635509925.db2.gz HOMWBWCCNVISTP-GDBMZVCRSA-N 0 3 261.365 2.279 20 10 CECDHN CN(Cc1c([O-])ccc(Cl)c1F)CC1C[NH+](C)C1 ZINC000827124493 636224903 /nfs/dbraw/zinc/22/49/03/636224903.db2.gz CAVPSNKDXDSUSJ-UHFFFAOYSA-N 0 3 272.751 2.178 20 10 CECDHN CN(C)c1ccc(/C=C\CN(C)C[C@H]2COCCO2)cc1 ZINC000827140353 636232749 /nfs/dbraw/zinc/23/27/49/636232749.db2.gz KWLSCFYHBPSQJJ-CHYADLBTSA-N 0 3 290.407 2.113 20 10 CECDHN CC(C)N(CC[S@@](C)=O)Cc1ccc(N(C)C)cc1 ZINC000827441764 636320909 /nfs/dbraw/zinc/32/09/09/636320909.db2.gz CDKDZELBITUNSK-LJQANCHMSA-N 0 3 282.453 2.342 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000827594768 636362004 /nfs/dbraw/zinc/36/20/04/636362004.db2.gz JMAAWGQMYZFOMD-KGLIPLIRSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000827594768 636362011 /nfs/dbraw/zinc/36/20/11/636362011.db2.gz JMAAWGQMYZFOMD-KGLIPLIRSA-N 0 3 277.364 2.259 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(F)ccc1[O-] ZINC000834850763 637970342 /nfs/dbraw/zinc/97/03/42/637970342.db2.gz OYOJBXJYAGGTKU-TZMCWYRMSA-N 0 3 296.386 2.029 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000834906521 637983879 /nfs/dbraw/zinc/98/38/79/637983879.db2.gz FYYCSNMJBMOBDI-GRYCIOLGSA-N 0 3 262.353 2.005 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000835061885 638044131 /nfs/dbraw/zinc/04/41/31/638044131.db2.gz VRFZQQCCVJTFOH-AWEZNQCLSA-N 0 3 282.771 2.112 20 10 CECDHN COCCOC[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876775123 650428207 /nfs/dbraw/zinc/42/82/07/650428207.db2.gz OUGYIXNWJSTLBB-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876775123 650428208 /nfs/dbraw/zinc/42/82/08/650428208.db2.gz OUGYIXNWJSTLBB-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3ccc(C)cc3O)[C@@H]2C1 ZINC000876815457 650443888 /nfs/dbraw/zinc/44/38/88/650443888.db2.gz YELUBYHIFIKIDG-BFYDXBDKSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C(C)C)N1CCOCC1 ZINC000876909320 650482782 /nfs/dbraw/zinc/48/27/82/650482782.db2.gz XJSZWBKSLKMGGD-INIZCTEOSA-N 0 3 292.423 2.147 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2)c([O-])c1 ZINC000876918248 650486058 /nfs/dbraw/zinc/48/60/58/650486058.db2.gz IYTRWKJMNVDXRP-HNNXBMFYSA-N 0 3 287.359 2.230 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000876942116 650498111 /nfs/dbraw/zinc/49/81/11/650498111.db2.gz PWQDMGCXOMPYLE-HNNXBMFYSA-N 0 3 298.390 2.249 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCCn1ccnc1 ZINC000226586049 639554720 /nfs/dbraw/zinc/55/47/20/639554720.db2.gz YLAVBWCCSGMVRG-UHFFFAOYSA-N 0 3 263.316 2.298 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1nccs1 ZINC000226588584 639555054 /nfs/dbraw/zinc/55/50/54/639555054.db2.gz NJPASQDGNMNAHR-UHFFFAOYSA-N 0 3 252.314 2.320 20 10 CECDHN CO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1(C)C ZINC000226613491 639555845 /nfs/dbraw/zinc/55/58/45/639555845.db2.gz GFCYOCWAXQRSML-CHWSQXEVSA-N 0 3 253.317 2.434 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(CC(N)=O)CC(C)C ZINC000840909459 639582117 /nfs/dbraw/zinc/58/21/17/639582117.db2.gz CJUGBSTZDKWCAU-UHFFFAOYSA-N 0 3 277.412 2.004 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CCN(C(C)C)C1=O ZINC000840934218 639590851 /nfs/dbraw/zinc/59/08/51/639590851.db2.gz OHLBJQWVMCJDCS-MRXNPFEDSA-N 0 3 289.423 2.160 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@H](C)C[S@](C)=O ZINC000840940084 639594300 /nfs/dbraw/zinc/59/43/00/639594300.db2.gz VEMLYRNYDOYCSN-YJYMSZOUSA-N 0 3 282.453 2.260 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840958452 639601649 /nfs/dbraw/zinc/60/16/49/639601649.db2.gz RGLUDAVRGYMOIJ-NSHDSACASA-N 0 3 296.798 2.264 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](C(=O)N(C)C)C2)c1[O-] ZINC000840958452 639601654 /nfs/dbraw/zinc/60/16/54/639601654.db2.gz RGLUDAVRGYMOIJ-NSHDSACASA-N 0 3 296.798 2.264 20 10 CECDHN C[C@H]1C[NH2+]CC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000841063238 639638581 /nfs/dbraw/zinc/63/85/81/639638581.db2.gz GUKKFPVJXUEWPP-GZMMTYOYSA-N 0 3 272.751 2.272 20 10 CECDHN CNC(=O)C1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876974906 650513802 /nfs/dbraw/zinc/51/38/02/650513802.db2.gz XFWALSHERYLPNJ-UHFFFAOYSA-N 0 3 276.380 2.095 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841074995 639646251 /nfs/dbraw/zinc/64/62/51/639646251.db2.gz KHDVJNCGCYFIRB-LLVKDONJSA-N 0 3 276.714 2.132 20 10 CECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949557 639667077 /nfs/dbraw/zinc/66/70/77/639667077.db2.gz ODLDMVFUABIEDL-RYUDHWBXSA-N 0 3 275.396 2.070 20 10 CECDHN Cc1ccc(C[NH2+]CC[S@](=O)C(C)(C)C)c([O-])c1 ZINC000877055393 650550859 /nfs/dbraw/zinc/55/08/59/650550859.db2.gz MPZKLRYMHVJMMT-SFHVURJKSA-N 0 3 269.410 2.337 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000877053713 650550949 /nfs/dbraw/zinc/55/09/49/650550949.db2.gz XGOZUBWJJMDYSF-GFCCVEGCSA-N 0 3 257.337 2.071 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCc2ncn(C)n2)c([O-])c1 ZINC000842902150 640216943 /nfs/dbraw/zinc/21/69/43/640216943.db2.gz MBIJBMPAUIEUSH-LBPRGKRZSA-N 0 3 274.368 2.113 20 10 CECDHN COC(=O)CC1([NH2+]Cc2cc(Cl)cc(OC)c2[O-])CC1 ZINC000846027830 641157357 /nfs/dbraw/zinc/15/73/57/641157357.db2.gz WKOMTQDXLUIUHT-UHFFFAOYSA-N 0 3 299.754 2.240 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000846058105 641165535 /nfs/dbraw/zinc/16/55/35/641165535.db2.gz LGSAITWFLMJQSM-LBPRGKRZSA-N 0 3 279.380 2.241 20 10 CECDHN CCc1nc([C@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846157389 641206936 /nfs/dbraw/zinc/20/69/36/641206936.db2.gz MEMZANKEZUTMHL-ZJUUUORDSA-N 0 3 290.367 2.493 20 10 CECDHN CCc1nc([C@@H](C)N[C@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846157386 641207184 /nfs/dbraw/zinc/20/71/84/641207184.db2.gz MEMZANKEZUTMHL-NXEZZACHSA-N 0 3 290.367 2.493 20 10 CECDHN Cc1ccc(O)c(CN2CCCC3(C2)OCCO3)c1 ZINC000184721879 641896882 /nfs/dbraw/zinc/89/68/82/641896882.db2.gz FTPBJOBBDTWECX-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000185791825 642029223 /nfs/dbraw/zinc/02/92/23/642029223.db2.gz AJFVKUYWZVEZAR-VHSXEESVSA-N 0 3 289.372 2.005 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000848575652 642062920 /nfs/dbraw/zinc/06/29/20/642062920.db2.gz URHHWBSKPCTISU-HUUCEWRRSA-N 0 3 260.381 2.499 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000848575650 642063426 /nfs/dbraw/zinc/06/34/26/642063426.db2.gz URHHWBSKPCTISU-CABCVRRESA-N 0 3 260.381 2.499 20 10 CECDHN Cc1ccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487285 650745600 /nfs/dbraw/zinc/74/56/00/650745600.db2.gz SDCYYXWEIKIOIB-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN CON(C)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850477457 642724459 /nfs/dbraw/zinc/72/44/59/642724459.db2.gz GVQMCJWIBLECKB-JTQLQIEISA-N 0 3 272.776 2.498 20 10 CECDHN CCCN1C[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877595109 650806494 /nfs/dbraw/zinc/80/64/94/650806494.db2.gz RRHXVOKDVKZUFU-CYBMUJFWSA-N 0 3 276.380 2.049 20 10 CECDHN CC(C)CNC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000851840846 643186082 /nfs/dbraw/zinc/18/60/82/643186082.db2.gz JPBFHPYBGCILKZ-UHFFFAOYSA-N 0 3 278.396 2.376 20 10 CECDHN CC(C)CNC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000851840846 643186085 /nfs/dbraw/zinc/18/60/85/643186085.db2.gz JPBFHPYBGCILKZ-UHFFFAOYSA-N 0 3 278.396 2.376 20 10 CECDHN COc1ccc(CNC2CSC2)cc1Cn1cccn1 ZINC000877633592 650824723 /nfs/dbraw/zinc/82/47/23/650824723.db2.gz CPMDXXHKWXQABG-UHFFFAOYSA-N 0 3 289.404 2.145 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000877639129 650829119 /nfs/dbraw/zinc/82/91/19/650829119.db2.gz WJHZZPMLLVTNLK-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000877639129 650829121 /nfs/dbraw/zinc/82/91/21/650829121.db2.gz WJHZZPMLLVTNLK-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCc1cccc2c1OCCO2 ZINC000922946146 643472527 /nfs/dbraw/zinc/47/25/27/643472527.db2.gz AVPJAYOGBJUAII-UHFFFAOYSA-N 0 3 285.343 2.496 20 10 CECDHN COCCC1(C)CN(Cc2c(O)cccc2OC)C1 ZINC000839143403 644174085 /nfs/dbraw/zinc/17/40/85/644174085.db2.gz QCJOZCLXPOFWAX-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000877758040 650899927 /nfs/dbraw/zinc/89/99/27/650899927.db2.gz GKEYJPUYBQXPCU-ZOWXZIJZSA-N 0 3 265.353 2.094 20 10 CECDHN CC(C)(O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877836098 650928911 /nfs/dbraw/zinc/92/89/11/650928911.db2.gz MSHXXRNYYASPSG-LLVKDONJSA-N 0 3 253.317 2.124 20 10 CECDHN CC(C)(O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877836098 650928912 /nfs/dbraw/zinc/92/89/12/650928912.db2.gz MSHXXRNYYASPSG-LLVKDONJSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCOC[C@@H]2C)c([O-])c1 ZINC000756533048 644659406 /nfs/dbraw/zinc/65/94/06/644659406.db2.gz HOOHVXKISUMQMM-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000756739755 644688560 /nfs/dbraw/zinc/68/85/60/644688560.db2.gz ZCFMOKQKCSATAM-PWSUYJOCSA-N 0 3 280.343 2.191 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000756738301 644688589 /nfs/dbraw/zinc/68/85/89/644688589.db2.gz NUMAFTSXYBUJDH-LRDDRELGSA-N 0 3 279.380 2.139 20 10 CECDHN CCOc1cncc(CNCc2cccc(OC)c2O)c1 ZINC000857046783 644799765 /nfs/dbraw/zinc/79/97/65/644799765.db2.gz RSZTUOROKLBCBS-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857061971 644806077 /nfs/dbraw/zinc/80/60/77/644806077.db2.gz XESQPEPROHZYGH-JSGCOSHPSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857061971 644806079 /nfs/dbraw/zinc/80/60/79/644806079.db2.gz XESQPEPROHZYGH-JSGCOSHPSA-N 0 3 279.380 2.241 20 10 CECDHN CCCN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000809716504 644940816 /nfs/dbraw/zinc/94/08/16/644940816.db2.gz WCMDQIWYCYUFNU-AWEZNQCLSA-N 0 3 266.360 2.495 20 10 CECDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C(C)(C)O ZINC000858122630 645068205 /nfs/dbraw/zinc/06/82/05/645068205.db2.gz IBXOBCVCCVQFGP-SECBINFHSA-N 0 3 272.339 2.280 20 10 CECDHN Cc1ccc([C@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1C ZINC000858435144 645158833 /nfs/dbraw/zinc/15/88/33/645158833.db2.gz XCFXLWMBDDBVHC-JSGCOSHPSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858495179 645180546 /nfs/dbraw/zinc/18/05/46/645180546.db2.gz WVKJTSCSYNDFCO-QXEWZRGKSA-N 0 3 282.771 2.269 20 10 CECDHN NC(=O)[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768139249 646088635 /nfs/dbraw/zinc/08/86/35/646088635.db2.gz YGQBYJSRNNOMDD-OAHLLOKOSA-N 0 3 296.370 2.366 20 10 CECDHN NC(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000768139249 646088641 /nfs/dbraw/zinc/08/86/41/646088641.db2.gz YGQBYJSRNNOMDD-OAHLLOKOSA-N 0 3 296.370 2.366 20 10 CECDHN CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450985 646125468 /nfs/dbraw/zinc/12/54/68/646125468.db2.gz KYMOPICSBJEAQF-FZMZJTMJSA-N 0 3 263.337 2.192 20 10 CECDHN CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450985 646125472 /nfs/dbraw/zinc/12/54/72/646125472.db2.gz KYMOPICSBJEAQF-FZMZJTMJSA-N 0 3 263.337 2.192 20 10 CECDHN COC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402127 646261736 /nfs/dbraw/zinc/26/17/36/646261736.db2.gz BGVQWBDAAMRXCY-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769402127 646261742 /nfs/dbraw/zinc/26/17/42/646261742.db2.gz BGVQWBDAAMRXCY-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000770279153 646376109 /nfs/dbraw/zinc/37/61/09/646376109.db2.gz FSCQYMXOFAFAMY-DOMZBBRYSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000770279153 646376111 /nfs/dbraw/zinc/37/61/11/646376111.db2.gz FSCQYMXOFAFAMY-DOMZBBRYSA-N 0 3 295.404 2.107 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000770509517 646400791 /nfs/dbraw/zinc/40/07/91/646400791.db2.gz BYTOOMNYNNCWNA-CYBMUJFWSA-N 0 3 263.337 2.120 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1C1OCCO1 ZINC000770509517 646400792 /nfs/dbraw/zinc/40/07/92/646400792.db2.gz BYTOOMNYNNCWNA-CYBMUJFWSA-N 0 3 263.337 2.120 20 10 CECDHN CCn1nncc1C[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000862434012 646459312 /nfs/dbraw/zinc/45/93/12/646459312.db2.gz OVGROIMKXRAYKB-UHFFFAOYSA-N 0 3 280.759 2.255 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccccc1[O-] ZINC000775513884 646961426 /nfs/dbraw/zinc/96/14/26/646961426.db2.gz VXLYLEAONOMSOW-CYBMUJFWSA-N 0 3 285.347 2.127 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@H]2CCN(C)C2)c1[O-] ZINC000776174122 647031746 /nfs/dbraw/zinc/03/17/46/647031746.db2.gz ADOLNMOAFSAPKQ-LBPRGKRZSA-N 0 3 299.212 2.257 20 10 CECDHN CCOC(C)(C)C[NH2+]Cc1c([O-])cccc1OC ZINC000780583327 647448000 /nfs/dbraw/zinc/44/80/00/647448000.db2.gz MMNNLYJWTRNQHU-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)Nc1ccccn1)c1ccccc1[O-] ZINC000783499803 647721781 /nfs/dbraw/zinc/72/17/81/647721781.db2.gz BKOKWBNETYBYQV-GFCCVEGCSA-N 0 3 285.347 2.467 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000866415919 647779542 /nfs/dbraw/zinc/77/95/42/647779542.db2.gz IKSAVTGBIUBVEL-GUDRVLHUSA-N 0 3 265.328 2.440 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccccc1[O-] ZINC000121081858 647808013 /nfs/dbraw/zinc/80/80/13/647808013.db2.gz MWXAUFZKUTZGTH-UKRRQHHQSA-N 0 3 281.396 2.466 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C[NH3+])[C@H](C)C2)c1[O-] ZINC000866676006 647864861 /nfs/dbraw/zinc/86/48/61/647864861.db2.gz VQMPLMXTCTUQSV-BXKDBHETSA-N 0 3 296.798 2.275 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCO[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000788623260 648208831 /nfs/dbraw/zinc/20/88/31/648208831.db2.gz KNKPCVNYBWEDPA-CDGODJOISA-N 0 3 295.354 2.209 20 10 CECDHN CCOc1ccc(C[NH2+]C2(COC)CCC2)c([O-])c1 ZINC000790653079 648438728 /nfs/dbraw/zinc/43/87/28/648438728.db2.gz YMEMTAONQQBOBM-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000872127363 649285391 /nfs/dbraw/zinc/28/53/91/649285391.db2.gz VHCGOZYDJTZSCO-GMOBBJLQSA-N 0 3 265.328 2.440 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CCN(C)CC2)cc1 ZINC000019362636 649307251 /nfs/dbraw/zinc/30/72/51/649307251.db2.gz QBWFDYRGVGRWMZ-PLNGDYQASA-N 0 3 259.397 2.013 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])ccc(Cl)c2F)C[C@H]1C[NH3+] ZINC000873215371 649593079 /nfs/dbraw/zinc/59/30/79/649593079.db2.gz DJBAFCZOIGBYPH-RKDXNWHRSA-N 0 3 272.751 2.211 20 10 CECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NCC(F)(F)F ZINC000879649285 651335243 /nfs/dbraw/zinc/33/52/43/651335243.db2.gz PFPFIZLKWUJDDJ-RKDXNWHRSA-N 0 3 290.285 2.110 20 10 CECDHN C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1[O-] ZINC000879651187 651335613 /nfs/dbraw/zinc/33/56/13/651335613.db2.gz LRBDUODBTUNGSJ-OLZOCXBDSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@H]([NH2+]CCCc1cncn1C)c1ccccc1[O-] ZINC000879650364 651335644 /nfs/dbraw/zinc/33/56/44/651335644.db2.gz XBWNKWZCGWPVLS-LBPRGKRZSA-N 0 3 259.353 2.409 20 10 CECDHN C[C@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1[O-] ZINC000879651259 651335758 /nfs/dbraw/zinc/33/57/58/651335758.db2.gz PAWXIJJDTKIVSM-JTQLQIEISA-N 0 3 291.376 2.162 20 10 CECDHN C[C@H](NCC(=O)N(C)c1nccs1)c1ccccc1O ZINC000879651259 651335760 /nfs/dbraw/zinc/33/57/60/651335760.db2.gz PAWXIJJDTKIVSM-JTQLQIEISA-N 0 3 291.376 2.162 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CCC(C)C ZINC000883187877 652393854 /nfs/dbraw/zinc/39/38/54/652393854.db2.gz YLMBTLITJVRRSH-GFCCVEGCSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883395134 652454037 /nfs/dbraw/zinc/45/40/37/652454037.db2.gz NVLKKRHCSBNYKF-TZMCWYRMSA-N 0 3 288.391 2.362 20 10 CECDHN C[NH+](C)[C@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001140461241 802933401 /nfs/dbraw/zinc/93/34/01/802933401.db2.gz HWBYRWCPUZDQJN-LBPRGKRZSA-N 0 3 254.761 2.182 20 10 CECDHN C[NH+](C)C[C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140464353 802944092 /nfs/dbraw/zinc/94/40/92/802944092.db2.gz MMAJAVIDUGCWOH-IUODEOHRSA-N 0 3 280.799 2.429 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000724604303 803193687 /nfs/dbraw/zinc/19/36/87/803193687.db2.gz OBEDGZXCYNKNIH-FOCJUVANSA-N 0 3 277.364 2.155 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@@]23CCOC3)c1 ZINC001118055568 814981345 /nfs/dbraw/zinc/98/13/45/814981345.db2.gz UOTHJSZJPQKALR-HNNXBMFYSA-N 0 3 263.337 2.156 20 10 CECDHN CCC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000092705086 804703829 /nfs/dbraw/zinc/70/38/29/804703829.db2.gz WOEQDWHRZIFVDR-OAHLLOKOSA-N 0 3 289.423 2.243 20 10 CECDHN C[N@H+](CCO)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001236259391 808032318 /nfs/dbraw/zinc/03/23/18/808032318.db2.gz VYIBIINKFMDANJ-UHFFFAOYSA-N 0 3 263.337 2.001 20 10 CECDHN C[N@@H+](CCO)Cc1ccc2c(c1[O-])C=CC(C)(C)O2 ZINC001236259391 808032326 /nfs/dbraw/zinc/03/23/26/808032326.db2.gz VYIBIINKFMDANJ-UHFFFAOYSA-N 0 3 263.337 2.001 20 10 CECDHN CC(C)(C)OC(=O)N1C[C@H](NCc2ccccc2O)CO1 ZINC000703372790 809646297 /nfs/dbraw/zinc/64/62/97/809646297.db2.gz KYGZQVSYEVTOMB-LBPRGKRZSA-N 0 3 294.351 2.033 20 10 CECDHN CCN1CC[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678821 809933112 /nfs/dbraw/zinc/93/31/12/809933112.db2.gz BOVLLJOATXZOBR-SWLSCSKDSA-N 0 3 275.396 2.024 20 10 CECDHN C[C@@H](CC(=O)NCc1c([O-])cccc1F)[C@@H]1CCC[NH2+]C1 ZINC001122258019 815397377 /nfs/dbraw/zinc/39/73/77/815397377.db2.gz HXLJJWYWAKQJIB-NWDGAFQWSA-N 0 3 294.370 2.173 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724586236 811046649 /nfs/dbraw/zinc/04/66/49/811046649.db2.gz NCWQKSDOBKIQFW-DSPQJCBJSA-N 0 3 277.364 2.237 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168982087 811310227 /nfs/dbraw/zinc/31/02/27/811310227.db2.gz IKVJRLGUQSKPPG-UTUOFQBUSA-N 0 3 264.325 2.488 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957237 811727146 /nfs/dbraw/zinc/72/71/46/811727146.db2.gz DMUNOLWXSSJAAH-AWEZNQCLSA-N 0 3 289.375 2.436 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCCC3(C1)OCCO3)CC2 ZINC001169957237 811727150 /nfs/dbraw/zinc/72/71/50/811727150.db2.gz DMUNOLWXSSJAAH-AWEZNQCLSA-N 0 3 289.375 2.436 20 10 CECDHN CC[C@H]1C[C@H]([NH2+]Cc2cccc(O)c2[O-])CCO1 ZINC001170180835 812327770 /nfs/dbraw/zinc/32/77/70/812327770.db2.gz CLGSLLDRQPMOGT-NEPJUHHUSA-N 0 3 251.326 2.145 20 10 CECDHN CCN(CC)c1ccc(CNC2COCCOC2)cc1 ZINC000383399371 813099443 /nfs/dbraw/zinc/09/94/43/813099443.db2.gz XBMJJQVDENGOSA-UHFFFAOYSA-N 0 3 278.396 2.038 20 10 CECDHN CN(C)c1ccc(CNC(=O)C2(N(C)C)CCCC2)cc1 ZINC001135825417 813533884 /nfs/dbraw/zinc/53/38/84/813533884.db2.gz SKNRWMNFWMXPLU-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CSC[C@@H]2C)c([O-])c1 ZINC000397913094 813645427 /nfs/dbraw/zinc/64/54/27/813645427.db2.gz ZEJUJFLNBOYMCW-JOYOIKCWSA-N 0 3 253.367 2.242 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CS[C@H](C)C2)c([O-])c1 ZINC000397975955 813650171 /nfs/dbraw/zinc/65/01/71/813650171.db2.gz OSLICDPMZHBWNY-KOLCDFICSA-N 0 3 253.367 2.384 20 10 CECDHN CN(Cc1cnc2ccccn12)Cc1c(O)cc(O)cc1O ZINC001144504352 814092783 /nfs/dbraw/zinc/09/27/83/814092783.db2.gz QJJZYGAGRYVTKU-UHFFFAOYSA-N 0 3 299.330 2.083 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714353741 814898080 /nfs/dbraw/zinc/89/80/80/814898080.db2.gz ZRIJVKSYMFAOPL-TZMCWYRMSA-N 0 3 297.420 2.400 20 10 CECDHN COC(=O)Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC001249173002 815712537 /nfs/dbraw/zinc/71/25/37/815712537.db2.gz PKBYEPRXWDKYIO-LBPRGKRZSA-N 0 3 277.364 2.482 20 10 CECDHN COC(=O)Cc1ccc(C[N@H+]2CCCC[C@@H]2C)c([O-])c1 ZINC001249173002 815712544 /nfs/dbraw/zinc/71/25/44/815712544.db2.gz PKBYEPRXWDKYIO-LBPRGKRZSA-N 0 3 277.364 2.482 20 10 CECDHN CN(C1CC1)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129529 815733373 /nfs/dbraw/zinc/73/33/73/815733373.db2.gz JDEILJZYYURBRE-ZDUSSCGKSA-N 0 3 264.344 2.200 20 10 CECDHN CN(C1CC1)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129529 815733377 /nfs/dbraw/zinc/73/33/77/815733377.db2.gz JDEILJZYYURBRE-ZDUSSCGKSA-N 0 3 264.344 2.200 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001140054964 816176983 /nfs/dbraw/zinc/17/69/83/816176983.db2.gz BMXQOGLSENEVRG-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001140054964 816176991 /nfs/dbraw/zinc/17/69/91/816176991.db2.gz BMXQOGLSENEVRG-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN Oc1ccc(F)cc1CN1CC(N2CCCCC2)C1 ZINC001140058827 816180412 /nfs/dbraw/zinc/18/04/12/816180412.db2.gz NIONZKRZKNAXBA-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN COc1ccc(N2CCN(Cc3ccncc3O)CC2)cc1 ZINC001140275063 816222038 /nfs/dbraw/zinc/22/20/38/816222038.db2.gz KJAADQOSJKXYGE-UHFFFAOYSA-N 0 3 299.374 2.118 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001140949902 816421802 /nfs/dbraw/zinc/42/18/02/816421802.db2.gz JNTBGZAHPPVPMF-QGZVFWFLSA-N 0 3 288.391 2.335 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001140949902 816421805 /nfs/dbraw/zinc/42/18/05/816421805.db2.gz JNTBGZAHPPVPMF-QGZVFWFLSA-N 0 3 288.391 2.335 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001140949901 816422645 /nfs/dbraw/zinc/42/26/45/816422645.db2.gz JNTBGZAHPPVPMF-KRWDZBQOSA-N 0 3 288.391 2.335 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCCC(=O)N3)C2)c([O-])c1 ZINC001140949901 816422648 /nfs/dbraw/zinc/42/26/48/816422648.db2.gz JNTBGZAHPPVPMF-KRWDZBQOSA-N 0 3 288.391 2.335 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC001140950733 816424183 /nfs/dbraw/zinc/42/41/83/816424183.db2.gz GAEMKPYIYXFUBJ-OCCSQVGLSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC001140950733 816424184 /nfs/dbraw/zinc/42/41/84/816424184.db2.gz GAEMKPYIYXFUBJ-OCCSQVGLSA-N 0 3 277.364 2.474 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026521 816448486 /nfs/dbraw/zinc/44/84/86/816448486.db2.gz UDDUNDFHLJYSPJ-MRXNPFEDSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c(OC)c1 ZINC001141026521 816448491 /nfs/dbraw/zinc/44/84/91/816448491.db2.gz UDDUNDFHLJYSPJ-MRXNPFEDSA-N 0 3 293.363 2.022 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@]3(C2)CC(F)(F)CO3)c1 ZINC001141160597 816492450 /nfs/dbraw/zinc/49/24/50/816492450.db2.gz FNFKNOMFQMXSEU-CYBMUJFWSA-N 0 3 285.290 2.098 20 10 CECDHN C[C@H]([NH2+]Cc1cc(C(N)=O)cs1)c1ccccc1[O-] ZINC001179493423 816869592 /nfs/dbraw/zinc/86/95/92/816869592.db2.gz ADLFCXQTUBFSSL-VIFPVBQESA-N 0 3 276.361 2.403 20 10 CECDHN C[C@H](NCc1cc(C(N)=O)cs1)c1ccccc1O ZINC001179493423 816869598 /nfs/dbraw/zinc/86/95/98/816869598.db2.gz ADLFCXQTUBFSSL-VIFPVBQESA-N 0 3 276.361 2.403 20 10 CECDHN Cc1ccc(O)c(CN2CCCN(C(=O)C(C)C)CC2)c1 ZINC000123608038 365640032 /nfs/dbraw/zinc/64/00/32/365640032.db2.gz VAPKYJMFRQLFLZ-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c([O-])c1 ZINC000036976449 361877648 /nfs/dbraw/zinc/87/76/48/361877648.db2.gz XMCIWYWKZKFTSP-WCQYABFASA-N 0 3 262.353 2.020 20 10 CECDHN COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]1C ZINC000280901013 344674856 /nfs/dbraw/zinc/67/48/56/344674856.db2.gz OLBXEXJWSOVKNL-SGMGOOAPSA-N 0 3 277.364 2.460 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000284025527 344677993 /nfs/dbraw/zinc/67/79/93/344677993.db2.gz IFRGIFZBKWDIBU-OCCSQVGLSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)OCO2 ZINC000284025527 344677994 /nfs/dbraw/zinc/67/79/94/344677994.db2.gz IFRGIFZBKWDIBU-OCCSQVGLSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COc3ccccc3[C@@H]1O)CC2 ZINC000297217561 344695808 /nfs/dbraw/zinc/69/58/08/344695808.db2.gz HBEICNJLIOQONH-LBTNJELSSA-N 0 3 297.354 2.464 20 10 CECDHN COc1cccc(CN2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000091856408 364073859 /nfs/dbraw/zinc/07/38/59/364073859.db2.gz QCXHNQYGNVSMGD-GXTWGEPZSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091856408 364073861 /nfs/dbraw/zinc/07/38/61/364073861.db2.gz QCXHNQYGNVSMGD-GXTWGEPZSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000091856408 364073862 /nfs/dbraw/zinc/07/38/62/364073862.db2.gz QCXHNQYGNVSMGD-GXTWGEPZSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168599332 367355030 /nfs/dbraw/zinc/35/50/30/367355030.db2.gz NYTHQVRSKGVLDB-QWRGUYRKSA-N 0 3 252.358 2.002 20 10 CECDHN Cc1cccc(C[NH+]2CCC(c3nncn3C)CC2)c1[O-] ZINC000179753254 368349920 /nfs/dbraw/zinc/34/99/20/368349920.db2.gz ADVUKZZDTARPAH-UHFFFAOYSA-N 0 3 286.379 2.209 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)CCCCC1 ZINC000180579714 368388087 /nfs/dbraw/zinc/38/80/87/368388087.db2.gz NQALLKISTDRAMC-UHFFFAOYSA-N 0 3 253.317 2.316 20 10 CECDHN COc1ccc(O)c(CN2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180683418 368392037 /nfs/dbraw/zinc/39/20/37/368392037.db2.gz TVSVXVLZPJXEDT-ZFWWWQNUSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180683418 368392041 /nfs/dbraw/zinc/39/20/41/368392041.db2.gz TVSVXVLZPJXEDT-ZFWWWQNUSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000180683418 368392047 /nfs/dbraw/zinc/39/20/47/368392047.db2.gz TVSVXVLZPJXEDT-ZFWWWQNUSA-N 0 3 295.404 2.107 20 10 CECDHN CCCC[NH+]1CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000187030523 369087956 /nfs/dbraw/zinc/08/79/56/369087956.db2.gz ZDRWCMRWSCZPNQ-UHFFFAOYSA-N 0 3 292.379 2.092 20 10 CECDHN COCCO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000188920735 369429095 /nfs/dbraw/zinc/42/90/95/369429095.db2.gz XCSXBNTUQCTMCJ-HNNXBMFYSA-N 0 3 279.380 2.246 20 10 CECDHN COCCO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000188920735 369429099 /nfs/dbraw/zinc/42/90/99/369429099.db2.gz XCSXBNTUQCTMCJ-HNNXBMFYSA-N 0 3 279.380 2.246 20 10 CECDHN CCN(CC)CCSc1ncc([N+](=O)[O-])s1 ZINC000190331592 369614305 /nfs/dbraw/zinc/61/43/05/369614305.db2.gz HJNIQDBDFKNQBD-UHFFFAOYSA-N 0 3 261.372 2.485 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@H](C)OC)c([O-])c1 ZINC000191138995 369684038 /nfs/dbraw/zinc/68/40/38/369684038.db2.gz PEBWLGQHBHFZGO-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN CN1CCC[N@H+](Cc2c([O-])ccc3ccccc32)CC1=O ZINC000191912780 369753104 /nfs/dbraw/zinc/75/31/04/369753104.db2.gz BKKBHAKLXHNIIR-UHFFFAOYSA-N 0 3 284.359 2.210 20 10 CECDHN CN1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)CC1=O ZINC000191912780 369753107 /nfs/dbraw/zinc/75/31/07/369753107.db2.gz BKKBHAKLXHNIIR-UHFFFAOYSA-N 0 3 284.359 2.210 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000230659279 370462049 /nfs/dbraw/zinc/46/20/49/370462049.db2.gz WCEKCVVKFCVIPT-GZMMTYOYSA-N 0 3 263.259 2.274 20 10 CECDHN CCNC(=O)[C@H](C)N[C@H](CC)c1ccc(N(C)C)cc1 ZINC000268709159 372189287 /nfs/dbraw/zinc/18/92/87/372189287.db2.gz FUEDKQBBZUJGPD-SWLSCSKDSA-N 0 3 277.412 2.318 20 10 CECDHN C[C@@H]1C[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271363215 373190043 /nfs/dbraw/zinc/19/00/43/373190043.db2.gz ISJIDIQYSHVHII-GHMZBOCLSA-N 0 3 279.336 2.026 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)c([O-])c1C ZINC000273470126 373760004 /nfs/dbraw/zinc/76/00/04/373760004.db2.gz RVMIBZZQFYSYDF-GDAOTKPNSA-N 0 3 269.410 2.427 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)OC)c1 ZINC000273568723 373764735 /nfs/dbraw/zinc/76/47/35/373764735.db2.gz KEWCEYQTUXEMRH-MNOVXSKESA-N 0 3 253.342 2.476 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591844 373766965 /nfs/dbraw/zinc/76/69/65/373766965.db2.gz PHWHMQNXXGPYBX-SWLSCSKDSA-N 0 3 293.407 2.319 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC000375286955 374649192 /nfs/dbraw/zinc/64/91/92/374649192.db2.gz LSLAZWUWXMRMKO-OAHLLOKOSA-N 0 3 277.364 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC000375286955 374649200 /nfs/dbraw/zinc/64/92/00/374649200.db2.gz LSLAZWUWXMRMKO-OAHLLOKOSA-N 0 3 277.364 2.138 20 10 CECDHN CC[N@H+](CCOCCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000282654815 375540469 /nfs/dbraw/zinc/54/04/69/375540469.db2.gz GGNVQLXMPNOMJQ-UHFFFAOYSA-N 0 3 287.787 2.185 20 10 CECDHN CC[N@@H+](CCOCCO)Cc1cc(Cl)cc(C)c1[O-] ZINC000282654815 375540477 /nfs/dbraw/zinc/54/04/77/375540477.db2.gz GGNVQLXMPNOMJQ-UHFFFAOYSA-N 0 3 287.787 2.185 20 10 CECDHN CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccccc1[O-] ZINC000282504000 375502433 /nfs/dbraw/zinc/50/24/33/375502433.db2.gz YIXAUYMSDLWTMN-KPZWWZAWSA-N 0 3 267.394 2.344 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CSC2(C)C)c1 ZINC000283126745 375661282 /nfs/dbraw/zinc/66/12/82/375661282.db2.gz VSWYILHWGLKAKR-LBPRGKRZSA-N 0 3 253.367 2.384 20 10 CECDHN Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2[O-])n(C)n1 ZINC000284520730 375829616 /nfs/dbraw/zinc/82/96/16/375829616.db2.gz WQGNCOBNBNDKRZ-SNVBAGLBSA-N 0 3 263.316 2.424 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000294777109 378018497 /nfs/dbraw/zinc/01/84/97/378018497.db2.gz KRZTUVBABOQEQE-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000295114513 378042595 /nfs/dbraw/zinc/04/25/95/378042595.db2.gz VMMFCMSSUUPQCP-YPMHNXCESA-N 0 3 290.329 2.386 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1[O-] ZINC000295114506 378043683 /nfs/dbraw/zinc/04/36/83/378043683.db2.gz VMIRZGOQLDXSBO-ZWNOBZJWSA-N 0 3 289.322 2.285 20 10 CECDHN COC(=O)N1CC(N[C@@H](C)c2c(C)cc(C)cc2O)C1 ZINC000294821634 378022427 /nfs/dbraw/zinc/02/24/27/378022427.db2.gz QKCMVLIXHJYLPT-NSHDSACASA-N 0 3 278.352 2.110 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1[O-] ZINC000105488276 394721843 /nfs/dbraw/zinc/72/18/43/394721843.db2.gz CVTWVAOONLZRKT-GFCCVEGCSA-N 0 3 278.396 2.363 20 10 CECDHN CN(C)c1ccc(CN[C@@]2(C)CCOC2)cc1F ZINC000120245130 394777165 /nfs/dbraw/zinc/77/71/65/394777165.db2.gz UWRIAONFCGRMPR-AWEZNQCLSA-N 0 3 252.333 2.160 20 10 CECDHN Cc1cccc(CN2CCN(c3nccnc3C)CC2)c1O ZINC000374216096 395076917 /nfs/dbraw/zinc/07/69/17/395076917.db2.gz IDDNYJXQVGQMPF-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000376043102 395108090 /nfs/dbraw/zinc/10/80/90/395108090.db2.gz GPGSJEWMPHVYIZ-UHFFFAOYSA-N 0 3 285.347 2.226 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000187985429 395309967 /nfs/dbraw/zinc/30/99/67/395309967.db2.gz KNGNNEMKBUALRY-JOYOIKCWSA-N 0 3 285.771 2.305 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](c2ccco2)N(C)C)c1 ZINC000020122464 171002860 /nfs/dbraw/zinc/00/28/60/171002860.db2.gz DYJMFHWHBLTQMF-CQSZACIVSA-N 0 3 290.363 2.386 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000038095983 174110305 /nfs/dbraw/zinc/11/03/05/174110305.db2.gz PGSZJGLRTIUJEG-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](CO)C2)cc1F ZINC000154584417 261093457 /nfs/dbraw/zinc/09/34/57/261093457.db2.gz SFBOWQJGQLFEEG-CYBMUJFWSA-N 0 3 266.360 2.096 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000155688226 261106005 /nfs/dbraw/zinc/10/60/05/261106005.db2.gz LEBVTBTZWHBWSI-GOEBONIOSA-N 0 3 291.439 2.069 20 10 CECDHN CC[C@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000155936874 261109791 /nfs/dbraw/zinc/10/97/91/261109791.db2.gz PKOXZESLHKKWAD-HOCLYGCPSA-N 0 3 292.423 2.401 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000157419401 261145579 /nfs/dbraw/zinc/14/55/79/261145579.db2.gz KTQJKJLWYCPZAZ-UHFFFAOYSA-N 0 3 265.376 2.029 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361050584 261153237 /nfs/dbraw/zinc/15/32/37/261153237.db2.gz HRSKWOYHYXLUSD-NWDGAFQWSA-N 0 3 265.328 2.390 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361050584 261153239 /nfs/dbraw/zinc/15/32/39/261153239.db2.gz HRSKWOYHYXLUSD-NWDGAFQWSA-N 0 3 265.328 2.390 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185008490 262037498 /nfs/dbraw/zinc/03/74/98/262037498.db2.gz MXMHEESFVCROCF-AWEZNQCLSA-N 0 3 280.412 2.320 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)ccc1[O-] ZINC000185142731 262044085 /nfs/dbraw/zinc/04/40/85/262044085.db2.gz HOVKWAVECDYEBU-ZYHUDNBSSA-N 0 3 252.333 2.276 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185318014 262050800 /nfs/dbraw/zinc/05/08/00/262050800.db2.gz PXPFIGTYLHINSK-AAEUAGOBSA-N 0 3 286.379 2.266 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638513 262063740 /nfs/dbraw/zinc/06/37/40/262063740.db2.gz WDXJKCBEJXTYDL-SMDDNHRTSA-N 0 3 267.394 2.219 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000185788907 262070731 /nfs/dbraw/zinc/07/07/31/262070731.db2.gz PQJVQZARQCIGCA-JQWIXIFHSA-N 0 3 280.343 2.193 20 10 CECDHN Cc1cc(C)c([C@@H](C)NCCS(=O)(=O)C(C)C)c(O)c1 ZINC000294295166 265009888 /nfs/dbraw/zinc/00/98/88/265009888.db2.gz MZPJSJXNCPPPPY-CYBMUJFWSA-N 0 3 299.436 2.483 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000367547145 267098480 /nfs/dbraw/zinc/09/84/80/267098480.db2.gz RDLMCRHBKVBAIQ-DZGCQCFKSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000367547145 267098482 /nfs/dbraw/zinc/09/84/82/267098482.db2.gz RDLMCRHBKVBAIQ-DZGCQCFKSA-N 0 3 288.391 2.191 20 10 CECDHN O=C1NC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000368214832 267152975 /nfs/dbraw/zinc/15/29/75/267152975.db2.gz HIXONSZFGZNYKW-DZGCQCFKSA-N 0 3 296.370 2.113 20 10 CECDHN O=C1NC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@@H]12 ZINC000368214832 267152977 /nfs/dbraw/zinc/15/29/77/267152977.db2.gz HIXONSZFGZNYKW-DZGCQCFKSA-N 0 3 296.370 2.113 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000368331504 267163319 /nfs/dbraw/zinc/16/33/19/267163319.db2.gz KALPXDXSFBDPDC-RMRHIDDWSA-N 0 3 288.391 2.361 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@]12CCCO2 ZINC000368698222 267198763 /nfs/dbraw/zinc/19/87/63/267198763.db2.gz JUSAUTXFDFNCHY-OAGGEKHMSA-N 0 3 295.354 2.348 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000376740881 268013023 /nfs/dbraw/zinc/01/30/23/268013023.db2.gz ZTUQEKKEZCWRST-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCCC[C@H](CO)C2)c1 ZINC000377244549 268058998 /nfs/dbraw/zinc/05/89/98/268058998.db2.gz XPUHFQQVWREPFF-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCCC[C@H](CO)C2)c1 ZINC000377244549 268058999 /nfs/dbraw/zinc/05/89/99/268058999.db2.gz XPUHFQQVWREPFF-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000529663788 297981030 /nfs/dbraw/zinc/98/10/30/297981030.db2.gz RUAXSSPXTUYHST-UHFFFAOYSA-N 0 3 283.755 2.323 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1C ZINC000287413036 301786275 /nfs/dbraw/zinc/78/62/75/301786275.db2.gz RQTHNUNTEZSOIY-ZDUSSCGKSA-N 0 3 281.396 2.447 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000527955030 313220443 /nfs/dbraw/zinc/22/04/43/313220443.db2.gz LRMWPKTXJOIWAA-DGFQIJBJSA-N 0 3 295.354 2.209 20 10 CECDHN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000185705629 327842950 /nfs/dbraw/zinc/84/29/50/327842950.db2.gz QWDDTBJWKLMDEW-YPMHNXCESA-N 0 3 283.343 2.378 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)CCCCO)c1[O-] ZINC000295128563 327608261 /nfs/dbraw/zinc/60/82/61/327608261.db2.gz XQUDDPORYWJYCK-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN Cc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000180302220 329219288 /nfs/dbraw/zinc/21/92/88/329219288.db2.gz GHLXZWIFKSRAHQ-MZBDJJRSSA-N 0 3 261.365 2.293 20 10 CECDHN Cc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000180302220 329219290 /nfs/dbraw/zinc/21/92/90/329219290.db2.gz GHLXZWIFKSRAHQ-MZBDJJRSSA-N 0 3 261.365 2.293 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190344159 329395273 /nfs/dbraw/zinc/39/52/73/329395273.db2.gz AUVCDYRXAOSFBO-IIAWOOMASA-N 0 3 277.364 2.448 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527768000 330281834 /nfs/dbraw/zinc/28/18/34/330281834.db2.gz ZNKQTUQTVFRJDM-WBMJQRKESA-N 0 3 277.364 2.448 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000226584536 333265557 /nfs/dbraw/zinc/26/55/57/333265557.db2.gz XKPKCSLBUWOYIG-NSHDSACASA-N 0 3 264.344 2.105 20 10 CECDHN CCOc1cccc(CN[C@@H](C)c2cn[nH]c2)c1O ZINC000229883644 333310682 /nfs/dbraw/zinc/31/06/82/333310682.db2.gz IACKTVGXMKRTSZ-JTQLQIEISA-N 0 3 261.325 2.365 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCSCC2)c([O-])c1 ZINC000230661667 333320098 /nfs/dbraw/zinc/32/00/98/333320098.db2.gz OHWRKQQGIHETDN-CYBMUJFWSA-N 0 3 280.437 2.400 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cc(F)ccc1[O-] ZINC000530216494 333528560 /nfs/dbraw/zinc/52/85/60/333528560.db2.gz PSJLDLAYCHXTTN-IINYFYTJSA-N 0 3 264.344 2.467 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCn2ccnc2C)c1 ZINC000271810275 334746869 /nfs/dbraw/zinc/74/68/69/334746869.db2.gz LWSHNMHZIGSTLQ-NSHDSACASA-N 0 3 275.352 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)CCCCO)c1[O-] ZINC000276650195 522534969 /nfs/dbraw/zinc/53/49/69/522534969.db2.gz MIJQFUXGLZBEBQ-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276650195 522534980 /nfs/dbraw/zinc/53/49/80/522534980.db2.gz MIJQFUXGLZBEBQ-UHFFFAOYSA-N 0 3 273.760 2.259 20 10 CECDHN C=Cn1cc(CNCc2ccc(N3CCOCC3)cc2)cn1 ZINC000278926307 519324792 /nfs/dbraw/zinc/32/47/92/519324792.db2.gz VNYAQAHXSJDIRZ-UHFFFAOYSA-N 0 3 298.390 2.110 20 10 CECDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000188484064 520200870 /nfs/dbraw/zinc/20/08/70/520200870.db2.gz GGOYIHRRKPOPEL-NWDGAFQWSA-N 0 3 264.369 2.218 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000188484064 520200877 /nfs/dbraw/zinc/20/08/77/520200877.db2.gz GGOYIHRRKPOPEL-NWDGAFQWSA-N 0 3 264.369 2.218 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCC(=O)NCC(F)F)cc1 ZINC000280759212 520288073 /nfs/dbraw/zinc/28/80/73/520288073.db2.gz FICHIBYKWKDWAI-NSHDSACASA-N 0 3 299.365 2.175 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000129474720 521338279 /nfs/dbraw/zinc/33/82/79/521338279.db2.gz KFHUKTOATYUHGZ-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000129474720 521338308 /nfs/dbraw/zinc/33/83/08/521338308.db2.gz KFHUKTOATYUHGZ-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CC)COC)c1[O-] ZINC000079737120 521375323 /nfs/dbraw/zinc/37/53/23/521375323.db2.gz DSTYKXODQMBQIG-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000289673332 521375554 /nfs/dbraw/zinc/37/55/54/521375554.db2.gz RPWIVTFXSYSHSP-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@H](n3cccn3)C2)cc1 ZINC000291363670 522181134 /nfs/dbraw/zinc/18/11/34/522181134.db2.gz YQDUNYWWJAPLCT-MRXNPFEDSA-N 0 3 270.380 2.396 20 10 CECDHN CN(C)c1ccc(CNC(=O)[C@]2(C)CCCCN2)cc1F ZINC000237085586 522202075 /nfs/dbraw/zinc/20/20/75/522202075.db2.gz XUZLYFRRVRPKIH-INIZCTEOSA-N 0 3 293.386 2.040 20 10 CECDHN COC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])[C@@H]1CCCO1 ZINC000278932155 522766183 /nfs/dbraw/zinc/76/61/83/522766183.db2.gz XNPDJNHJWLQORD-WPGHFRTFSA-N 0 3 295.379 2.245 20 10 CECDHN CC[C@H](O)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293275467 522821924 /nfs/dbraw/zinc/82/19/24/522821924.db2.gz CNPXLJGHJUHRLR-OCCSQVGLSA-N 0 3 296.386 2.084 20 10 CECDHN COc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1C ZINC000266178195 524068910 /nfs/dbraw/zinc/06/89/10/524068910.db2.gz UFDGFPNDIGILOA-UHFFFAOYSA-N 0 3 299.436 2.307 20 10 CECDHN COc1ccc(O)c(CN2CC[C@@H](n3cccn3)C2)c1 ZINC000291299484 524748251 /nfs/dbraw/zinc/74/82/51/524748251.db2.gz QMAHMIUNNAVVBK-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291299484 524748257 /nfs/dbraw/zinc/74/82/57/524748257.db2.gz QMAHMIUNNAVVBK-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000291299484 524748268 /nfs/dbraw/zinc/74/82/68/524748268.db2.gz QMAHMIUNNAVVBK-CYBMUJFWSA-N 0 3 273.336 2.044 20 10 CECDHN COc1ccc(O)c(CN[C@H]2CCCc3nn(C)cc32)c1 ZINC000280258196 524754826 /nfs/dbraw/zinc/75/48/26/524754826.db2.gz XBAQMABJAPXIQU-AWEZNQCLSA-N 0 3 287.363 2.302 20 10 CECDHN COc1ccc(O)c(CN[C@@H]2CCCc3nn(C)cc32)c1 ZINC000280258199 524756014 /nfs/dbraw/zinc/75/60/14/524756014.db2.gz XBAQMABJAPXIQU-CQSZACIVSA-N 0 3 287.363 2.302 20 10 CECDHN Cc1cc(O)c(CN(C)[C@@H](C)C[S@](C)=O)cc1C ZINC000131074172 525312623 /nfs/dbraw/zinc/31/26/23/525312623.db2.gz KBHPJRDWIARFGC-KPZWWZAWSA-N 0 3 269.410 2.208 20 10 CECDHN Cc1ccc(O)c(CN2CCN(CC3CC3)CC2)c1 ZINC000130678207 525342864 /nfs/dbraw/zinc/34/28/64/525342864.db2.gz ZQOUABRKTAWCJP-UHFFFAOYSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1 ZINC000275648331 525355492 /nfs/dbraw/zinc/35/54/92/525355492.db2.gz UDWLRQCUJFYPPI-ZFWWWQNUSA-N 0 3 287.363 2.054 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCC(F)F)CC2 ZINC000296425384 526368058 /nfs/dbraw/zinc/36/80/58/526368058.db2.gz LSHDLWBRFOBDRV-JTQLQIEISA-N 0 3 257.280 2.251 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCSCCCO)CC2 ZINC000297719270 527542642 /nfs/dbraw/zinc/54/26/42/527542642.db2.gz NCOJFRLBEXSRTC-GFCCVEGCSA-N 0 3 267.394 2.085 20 10 CECDHN C[N@H+](CCNC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000732287505 574617989 /nfs/dbraw/zinc/61/79/89/574617989.db2.gz CWIVLVKTPOUQSM-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN C[N@@H+](CCNC(=O)c1cc([O-])cs1)C1CCCC1 ZINC000732287505 574617990 /nfs/dbraw/zinc/61/79/90/574617990.db2.gz CWIVLVKTPOUQSM-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN O=C(NC1CC[NH+](CC2CC2)CC1)c1cc([O-])cs1 ZINC000732274533 574617156 /nfs/dbraw/zinc/61/71/56/574617156.db2.gz QKIUCTYACOEREB-UHFFFAOYSA-N 0 3 280.393 2.058 20 10 CECDHN Cc1cc(CNCc2ccc(N(C)C)cc2C)[nH]n1 ZINC000734509544 574717610 /nfs/dbraw/zinc/71/76/10/574717610.db2.gz LMCOBYGUIRDMOD-UHFFFAOYSA-N 0 3 258.369 2.382 20 10 CECDHN Cc1cc(CNCc2ccc(N(C)C)cc2C)n[nH]1 ZINC000734509544 574717611 /nfs/dbraw/zinc/71/76/11/574717611.db2.gz LMCOBYGUIRDMOD-UHFFFAOYSA-N 0 3 258.369 2.382 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1ccc(C(N)=O)cc1 ZINC000734509160 574717642 /nfs/dbraw/zinc/71/76/42/574717642.db2.gz HXMCNEDUEYLELE-UHFFFAOYSA-N 0 3 297.402 2.450 20 10 CECDHN CCN(C)c1ccc(CN2CCC3(CC2)OCCO3)cc1 ZINC000741752971 574996100 /nfs/dbraw/zinc/99/61/00/574996100.db2.gz LNACVDIBXWYJQO-UHFFFAOYSA-N 0 3 290.407 2.482 20 10 CECDHN CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc([O-])cs1 ZINC000743718245 575109248 /nfs/dbraw/zinc/10/92/48/575109248.db2.gz MADJPWZLGCKFSM-NSHDSACASA-N 0 3 282.409 2.400 20 10 CECDHN CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc([O-])cs1 ZINC000743718245 575109249 /nfs/dbraw/zinc/10/92/49/575109249.db2.gz MADJPWZLGCKFSM-NSHDSACASA-N 0 3 282.409 2.400 20 10 CECDHN CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000753024292 575317964 /nfs/dbraw/zinc/31/79/64/575317964.db2.gz RURKMPSKTNVDIO-GFCCVEGCSA-N 0 3 294.395 2.256 20 10 CECDHN CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000753024292 575317965 /nfs/dbraw/zinc/31/79/65/575317965.db2.gz RURKMPSKTNVDIO-GFCCVEGCSA-N 0 3 294.395 2.256 20 10 CECDHN C/C=C\C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247712 623324402 /nfs/dbraw/zinc/32/44/02/623324402.db2.gz UMGMOJLKGICFPP-XHPSBEMXSA-N 0 3 275.396 2.048 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1OC ZINC000892217601 624427480 /nfs/dbraw/zinc/42/74/80/624427480.db2.gz ZEHPWSPRJDTERJ-WCQYABFASA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1OC ZINC000892217601 624427481 /nfs/dbraw/zinc/42/74/81/624427481.db2.gz ZEHPWSPRJDTERJ-WCQYABFASA-N 0 3 295.379 2.002 20 10 CECDHN O=C(NCC[NH2+]Cc1ccccc1[O-])c1ccc(F)cc1 ZINC000725846638 625768088 /nfs/dbraw/zinc/76/80/88/625768088.db2.gz NXWGCIGEPKVVLU-UHFFFAOYSA-N 0 3 288.322 2.051 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000293868075 627860647 /nfs/dbraw/zinc/86/06/47/627860647.db2.gz CJMJTZHRUUPYCS-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](CO)CC2)c1[O-] ZINC000293868075 627860648 /nfs/dbraw/zinc/86/06/48/627860648.db2.gz CJMJTZHRUUPYCS-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COC1(C[NH2+][C@H](C)c2ccccc2[O-])CCOCC1 ZINC000183624804 628186929 /nfs/dbraw/zinc/18/69/29/628186929.db2.gz ZXZNGKVWLRJCTQ-GFCCVEGCSA-N 0 3 265.353 2.238 20 10 CECDHN CC(C)CCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000053364101 628313582 /nfs/dbraw/zinc/31/35/82/628313582.db2.gz GOEMCKADTJDGLW-UHFFFAOYSA-N 0 3 291.439 2.347 20 10 CECDHN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902466788 634683836 /nfs/dbraw/zinc/68/38/36/634683836.db2.gz MNWBXYSCJWLVKL-RUZUBIRVSA-N 0 3 264.344 2.465 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c([O-])c1 ZINC000794828725 629332568 /nfs/dbraw/zinc/33/25/68/629332568.db2.gz NAUYICBHIQUSJE-GFCCVEGCSA-N 0 3 297.420 2.319 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780103 630348298 /nfs/dbraw/zinc/34/82/98/630348298.db2.gz AIGQXKUHNUDLND-PHIMTYICSA-N 0 3 265.378 2.196 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780103 630348301 /nfs/dbraw/zinc/34/83/01/630348301.db2.gz AIGQXKUHNUDLND-PHIMTYICSA-N 0 3 265.378 2.196 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)c([O-])c1 ZINC000896586219 630604950 /nfs/dbraw/zinc/60/49/50/630604950.db2.gz XULWFHBIZYRZHJ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCO[C@@H](C)CC2)c([O-])c1 ZINC000896586219 630604951 /nfs/dbraw/zinc/60/49/51/630604951.db2.gz XULWFHBIZYRZHJ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897539254 631702269 /nfs/dbraw/zinc/70/22/69/631702269.db2.gz VPHHGAURJNRCMN-JSGCOSHPSA-N 0 3 279.380 2.432 20 10 CECDHN COC(=O)N1CCC(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000809710554 632131109 /nfs/dbraw/zinc/13/11/09/632131109.db2.gz RYNISQIJUULTJA-UHFFFAOYSA-N 0 3 296.342 2.099 20 10 CECDHN CC[C@H]([NH2+]C1COCCOC1)c1ccc(C)cc1[O-] ZINC000813880801 632751670 /nfs/dbraw/zinc/75/16/70/632751670.db2.gz PXNNIIQSIFGKOT-AWEZNQCLSA-N 0 3 265.353 2.157 20 10 CECDHN CCCN1C[C@H](C[NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000817590159 633703474 /nfs/dbraw/zinc/70/34/74/633703474.db2.gz UYYSORBSIZSHAG-OLZOCXBDSA-N 0 3 276.380 2.301 20 10 CECDHN CCn1ccnc1[C@H](C)NCCc1ccc(N)cc1 ZINC000817958556 633801304 /nfs/dbraw/zinc/80/13/04/633801304.db2.gz XLOAXQFSIFQJBU-LBPRGKRZSA-N 0 3 258.369 2.379 20 10 CECDHN CC(C)[C@@H](N)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959892 633803513 /nfs/dbraw/zinc/80/35/13/633803513.db2.gz WKGLEXBEOPAZRZ-PELKAZGASA-N 0 3 258.312 2.304 20 10 CECDHN CC(C)[C@@H]([NH3+])CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959892 633803519 /nfs/dbraw/zinc/80/35/19/633803519.db2.gz WKGLEXBEOPAZRZ-PELKAZGASA-N 0 3 258.312 2.304 20 10 CECDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817972628 633816109 /nfs/dbraw/zinc/81/61/09/633816109.db2.gz YUPWLFSBZGQKLI-KWBADKCTSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccc2ccccc2c1[O-] ZINC000817983946 633826673 /nfs/dbraw/zinc/82/66/73/633826673.db2.gz SFDIYOHILYMPNX-GXTWGEPZSA-N 0 3 286.375 2.184 20 10 CECDHN COc1ccc(N2CC[C@@H](CNCc3ncc[nH]3)C2)cc1 ZINC000818221385 633886469 /nfs/dbraw/zinc/88/64/69/633886469.db2.gz RQHADWVFQZWQJM-ZDUSSCGKSA-N 0 3 286.379 2.034 20 10 CECDHN COC(=O)C1(C)CN(Cc2cc(C)c(C)cc2O)C1 ZINC000822534874 634938823 /nfs/dbraw/zinc/93/88/23/634938823.db2.gz ZQNGELDFMHLVNK-UHFFFAOYSA-N 0 3 263.337 2.004 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@@H](C)CCO)c([O-])c1 ZINC000824517427 635441084 /nfs/dbraw/zinc/44/10/84/635441084.db2.gz UVGVFRYJGJAJOP-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](C)CCCO)c([O-])c1 ZINC000824603400 635461665 /nfs/dbraw/zinc/46/16/65/635461665.db2.gz RIIXIVGKWWZXQG-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c([O-])c1 ZINC000824635304 635467266 /nfs/dbraw/zinc/46/72/66/635467266.db2.gz GPYFTJCSQSHIQL-AAEUAGOBSA-N 0 3 289.322 2.285 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H]2CC)c([O-])c1 ZINC000824637174 635468025 /nfs/dbraw/zinc/46/80/25/635468025.db2.gz WKMGHIIEXAMRLA-ZFWWWQNUSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)c([O-])c1 ZINC000824637174 635468034 /nfs/dbraw/zinc/46/80/34/635468034.db2.gz WKMGHIIEXAMRLA-ZFWWWQNUSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000824815066 635503550 /nfs/dbraw/zinc/50/35/50/635503550.db2.gz IBWSUQSSDGKHEI-BXUZGUMPSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000824815066 635503554 /nfs/dbraw/zinc/50/35/54/635503554.db2.gz IBWSUQSSDGKHEI-BXUZGUMPSA-N 0 3 265.353 2.258 20 10 CECDHN COc1ccc(N2CCN(Cc3ccccc3O)CC2)nc1 ZINC000825305444 635609352 /nfs/dbraw/zinc/60/93/52/635609352.db2.gz JFSJJPPLKKCROK-UHFFFAOYSA-N 0 3 299.374 2.118 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]C/C=C\CO)c1[O-] ZINC000826936760 636167237 /nfs/dbraw/zinc/16/72/37/636167237.db2.gz DUPKOZHSTKXJGU-IHWYPQMZSA-N 0 3 286.169 2.101 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC000827594765 636362089 /nfs/dbraw/zinc/36/20/89/636362089.db2.gz JMAAWGQMYZFOMD-KBPBESRZSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC000827594765 636362093 /nfs/dbraw/zinc/36/20/93/636362093.db2.gz JMAAWGQMYZFOMD-KBPBESRZSA-N 0 3 277.364 2.259 20 10 CECDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(OC)c2[O-])C1 ZINC000827812112 636430381 /nfs/dbraw/zinc/43/03/81/636430381.db2.gz COZUMBBPZLWQMZ-JLIMDTESSA-N 0 3 299.754 2.095 20 10 CECDHN O=C1CCCCN1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834571991 637873185 /nfs/dbraw/zinc/87/31/85/637873185.db2.gz ZMWSKAGORDCIKU-CQSZACIVSA-N 0 3 288.391 2.372 20 10 CECDHN COC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000834689295 637920795 /nfs/dbraw/zinc/92/07/95/637920795.db2.gz MHFGOYZYAGIVQS-ZDUSSCGKSA-N 0 3 277.364 2.165 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(F)ccc1[O-] ZINC000834849996 637970954 /nfs/dbraw/zinc/97/09/54/637970954.db2.gz ICRSLOXTMRWXTK-TZMCWYRMSA-N 0 3 296.386 2.029 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000834881024 637976922 /nfs/dbraw/zinc/97/69/22/637976922.db2.gz YFPNTPITQMQABI-JRPNMDOOSA-N 0 3 283.343 2.233 20 10 CECDHN CCN1C[C@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1=O ZINC000834888905 637979053 /nfs/dbraw/zinc/97/90/53/637979053.db2.gz CXPRBYMGZVZZTN-CKYFFXLPSA-N 0 3 292.354 2.290 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(C)cc1[O-] ZINC000834898661 637981271 /nfs/dbraw/zinc/98/12/71/637981271.db2.gz ATVNGDOAAKENNX-WCQYABFASA-N 0 3 264.369 2.266 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000834906845 637983654 /nfs/dbraw/zinc/98/36/54/637983654.db2.gz HUBFCSXDGVRVTF-RWMBFGLXSA-N 0 3 276.380 2.314 20 10 CECDHN Cc1ccc(C[NH2+]CCCNc2ncccn2)c([O-])c1 ZINC000876874561 650467869 /nfs/dbraw/zinc/46/78/69/650467869.db2.gz HQFCCIAVTZZTAL-UHFFFAOYSA-N 0 3 272.352 2.082 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](N)CCC(C)C)c1 ZINC000876878732 650469733 /nfs/dbraw/zinc/46/97/33/650469733.db2.gz JTGSRCXDJOOZKG-BXUZGUMPSA-N 0 3 294.395 2.342 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000156368328 639346820 /nfs/dbraw/zinc/34/68/20/639346820.db2.gz YOOBBVQPEKGPGU-GOEBONIOSA-N 0 3 279.380 2.222 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000226611453 639555903 /nfs/dbraw/zinc/55/59/03/639555903.db2.gz OUUIPSQCGNKDSD-MFKMUULPSA-N 0 3 253.317 2.172 20 10 CECDHN CC[C@H]([NH2+]CCc1ccnn1C)c1ccccc1[O-] ZINC000158119794 639571736 /nfs/dbraw/zinc/57/17/36/639571736.db2.gz RVXSFEZZDSGOJY-AWEZNQCLSA-N 0 3 259.353 2.409 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840980355 639608701 /nfs/dbraw/zinc/60/87/01/639608701.db2.gz XHJROWMCZUYIHR-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840980355 639608705 /nfs/dbraw/zinc/60/87/05/639608705.db2.gz XHJROWMCZUYIHR-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cc(Br)c([O-])c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035700 639627814 /nfs/dbraw/zinc/62/78/14/639627814.db2.gz KDJSMSPZTBQVQX-LLVKDONJSA-N 0 3 299.212 2.305 20 10 CECDHN [NH3+][C@H](CNCc1c([O-])ccc(Cl)c1F)C1CC1 ZINC000841050619 639633521 /nfs/dbraw/zinc/63/35/21/639633521.db2.gz JFROKPSJYNDBDA-SNVBAGLBSA-N 0 3 258.724 2.012 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c([O-])c1 ZINC000876975387 650514490 /nfs/dbraw/zinc/51/44/90/650514490.db2.gz FGHSHXKSOGVNSC-GFCCVEGCSA-N 0 3 257.337 2.211 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+]CCCNC1CC1 ZINC000841092220 639654518 /nfs/dbraw/zinc/65/45/18/639654518.db2.gz LLNJHSNIDMQKTI-UHFFFAOYSA-N 0 3 254.761 2.277 20 10 CECDHN C[C@@H](N[C@@H](C)C(=O)NC1CC1)c1ccc(N(C)C)cc1 ZINC000228949578 639667024 /nfs/dbraw/zinc/66/70/24/639667024.db2.gz ODLDMVFUABIEDL-NEPJUHHUSA-N 0 3 275.396 2.070 20 10 CECDHN NC(=O)C1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000312808652 640152005 /nfs/dbraw/zinc/15/20/05/640152005.db2.gz LINAODUNXCGSOV-BPCQOVAHSA-N 0 3 274.364 2.013 20 10 CECDHN [NH3+]CC1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000843047255 640252075 /nfs/dbraw/zinc/25/20/75/640252075.db2.gz IHORBNAUBGKONV-UHFFFAOYSA-N 0 3 272.751 2.355 20 10 CECDHN CC(=O)c1cc(F)cc(C[NH2+][C@@](C)(CN)C(C)C)c1[O-] ZINC000843355931 640401368 /nfs/dbraw/zinc/40/13/68/640401368.db2.gz NBNNAHNEGAVLMJ-HNNXBMFYSA-N 0 3 282.359 2.197 20 10 CECDHN Cn1c(=O)ccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000846108094 641183670 /nfs/dbraw/zinc/18/36/70/641183670.db2.gz NPHXQRLHHWLFMW-AWEZNQCLSA-N 0 3 284.359 2.258 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC[C@@]2(O)CCCOC2)c1[O-] ZINC000846107355 641184375 /nfs/dbraw/zinc/18/43/75/641184375.db2.gz HVGVYJYGUANYQU-HNNXBMFYSA-N 0 3 299.798 2.375 20 10 CECDHN COc1cccc([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1O ZINC000846152881 641204768 /nfs/dbraw/zinc/20/47/68/641204768.db2.gz VGNNQNRUNDFKQD-WCQYABFASA-N 0 3 292.379 2.061 20 10 CECDHN CCc1nc([C@@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846157388 641207283 /nfs/dbraw/zinc/20/72/83/641207283.db2.gz MEMZANKEZUTMHL-VHSXEESVSA-N 0 3 290.367 2.493 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnn(C)c2C)c1 ZINC000182450943 641660757 /nfs/dbraw/zinc/66/07/57/641660757.db2.gz LILRBSMNZYIARW-JTQLQIEISA-N 0 3 275.352 2.294 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000877395554 650704178 /nfs/dbraw/zinc/70/41/78/650704178.db2.gz ZNMJFEBDBDASEM-UHFFFAOYSA-N 0 3 289.404 2.335 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877401302 650707669 /nfs/dbraw/zinc/70/76/69/650707669.db2.gz BGUZMDPFTVUQKG-LBPRGKRZSA-N 0 3 278.352 2.021 20 10 CECDHN CC[C@@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(C)cc1[O-] ZINC000848556370 642050833 /nfs/dbraw/zinc/05/08/33/642050833.db2.gz WCVNJWGYJJZRGT-HIFRSBDPSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450989 642100443 /nfs/dbraw/zinc/10/04/43/642100443.db2.gz KYMOPICSBJEAQF-SMDDNHRTSA-N 0 3 263.337 2.192 20 10 CECDHN CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768450989 642100446 /nfs/dbraw/zinc/10/04/46/642100446.db2.gz KYMOPICSBJEAQF-SMDDNHRTSA-N 0 3 263.337 2.192 20 10 CECDHN CCc1cccc(CNCC(=O)NC2CCCCC2)c1O ZINC000848894938 642176083 /nfs/dbraw/zinc/17/60/83/642176083.db2.gz IGWFVXHQOCEPPX-UHFFFAOYSA-N 0 3 290.407 2.493 20 10 CECDHN COc1ccc(N2CC[C@@H](N[C@@H](C)c3cnccn3)C2)cc1 ZINC000849322129 642327519 /nfs/dbraw/zinc/32/75/19/642327519.db2.gz OAVDFYRBYYNSGQ-UONOGXRCSA-N 0 3 298.390 2.415 20 10 CECDHN CC[C@@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850529756 642743513 /nfs/dbraw/zinc/74/35/13/642743513.db2.gz SRANUMIRXQFOQA-IQJOONFLSA-N 0 3 253.317 2.440 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC2)OCCCO3)c([O-])c1 ZINC000877553122 650784101 /nfs/dbraw/zinc/78/41/01/650784101.db2.gz ZRARYMQBGROVBA-UHFFFAOYSA-N 0 3 277.364 2.430 20 10 CECDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877564074 650791293 /nfs/dbraw/zinc/79/12/93/650791293.db2.gz XLGRHPSXBJMNIS-OLZOCXBDSA-N 0 3 263.337 2.132 20 10 CECDHN COC(OC)[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922314701 643022251 /nfs/dbraw/zinc/02/22/51/643022251.db2.gz PQUHJDCBYCQLLR-NSHDSACASA-N 0 3 265.353 2.109 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851792780 643163950 /nfs/dbraw/zinc/16/39/50/643163950.db2.gz SRJQOHQBUUMDNQ-ZDUSSCGKSA-N 0 3 263.337 2.310 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000851792780 643163954 /nfs/dbraw/zinc/16/39/54/643163954.db2.gz SRJQOHQBUUMDNQ-ZDUSSCGKSA-N 0 3 263.337 2.310 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000877622720 650818977 /nfs/dbraw/zinc/81/89/77/650818977.db2.gz BLZAJLILMUEGOL-QHRIQVFBSA-N 0 3 281.421 2.480 20 10 CECDHN COc1c([O-])c(C[NH+]2CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000877717610 650868324 /nfs/dbraw/zinc/86/83/24/650868324.db2.gz MJFAMBGUCTXSIA-UHFFFAOYSA-N 0 3 266.297 2.151 20 10 CECDHN C[NH+]1CCC2(CCN(C(=O)c3cc([O-])cs3)C2)CC1 ZINC000854497889 644071351 /nfs/dbraw/zinc/07/13/51/644071351.db2.gz BQTDJSAAADNAMZ-UHFFFAOYSA-N 0 3 280.393 2.012 20 10 CECDHN CC1(C)C[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000220291651 644264583 /nfs/dbraw/zinc/26/45/83/644264583.db2.gz JKJJQTAXMAGQQZ-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c([O-])c1 ZINC000877835172 650928021 /nfs/dbraw/zinc/92/80/21/650928021.db2.gz IYGBPQKKWOZGSM-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c([O-])c1 ZINC000877835172 650928024 /nfs/dbraw/zinc/92/80/24/650928024.db2.gz IYGBPQKKWOZGSM-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(C)CCCO1 ZINC000756134887 644608974 /nfs/dbraw/zinc/60/89/74/644608974.db2.gz SKAIQJXPDZZNMA-AWEZNQCLSA-N 0 3 251.326 2.060 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)COCC2CC2)c([O-])c1 ZINC000756509358 644656762 /nfs/dbraw/zinc/65/67/62/644656762.db2.gz AWSMBKFZKCYSCE-OCCSQVGLSA-N 0 3 279.380 2.139 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000756517982 644657897 /nfs/dbraw/zinc/65/78/97/644657897.db2.gz RTYPBTQUGIEZLX-MWLCHTKSSA-N 0 3 280.343 2.148 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCO[C@@H](C)C2)c([O-])c1 ZINC000756542560 644660971 /nfs/dbraw/zinc/66/09/71/644660971.db2.gz BIRMEUWWDYKFJB-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000756738308 644688405 /nfs/dbraw/zinc/68/84/05/644688405.db2.gz NUMAFTSXYBUJDH-WBMJQRKESA-N 0 3 279.380 2.139 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2[O-] ZINC000757656499 644831583 /nfs/dbraw/zinc/83/15/83/644831583.db2.gz IXCQIBOMCZNEQF-JQWIXIFHSA-N 0 3 290.342 2.351 20 10 CECDHN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(F)ccc1[O-] ZINC000757706519 644838642 /nfs/dbraw/zinc/83/86/42/644838642.db2.gz WCDSGMWUGLXSAI-SECBINFHSA-N 0 3 269.316 2.333 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@](C)(O)C2CC2)cc1F ZINC000858134287 645072072 /nfs/dbraw/zinc/07/20/72/645072072.db2.gz NWNAPIAYOJYPPL-HNNXBMFYSA-N 0 3 284.350 2.281 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@](C)(CO)C2CC2)cc1F ZINC000858149831 645076247 /nfs/dbraw/zinc/07/62/47/645076247.db2.gz XCTHOIYYHUWCSU-HNNXBMFYSA-N 0 3 284.350 2.281 20 10 CECDHN CCN1CCN(C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000022468008 650981450 /nfs/dbraw/zinc/98/14/50/650981450.db2.gz ODMFTOZHMMQCGJ-WAYWQWQTSA-N 0 3 273.424 2.403 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000761216616 645258440 /nfs/dbraw/zinc/25/84/40/645258440.db2.gz UVNIGWBQEXOAPG-GFCCVEGCSA-N 0 3 285.771 2.305 20 10 CECDHN CCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450546 646125486 /nfs/dbraw/zinc/12/54/86/646125486.db2.gz KGKMNPVRMWXIGG-HNNXBMFYSA-N 0 3 295.379 2.067 20 10 CECDHN CCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450546 646125489 /nfs/dbraw/zinc/12/54/89/646125489.db2.gz KGKMNPVRMWXIGG-HNNXBMFYSA-N 0 3 295.379 2.067 20 10 CECDHN CC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464196 646126808 /nfs/dbraw/zinc/12/68/08/646126808.db2.gz ODTCSGVSHMRFQT-IINYFYTJSA-N 0 3 263.337 2.050 20 10 CECDHN CC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464196 646126811 /nfs/dbraw/zinc/12/68/11/646126811.db2.gz ODTCSGVSHMRFQT-IINYFYTJSA-N 0 3 263.337 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@@H](O)CO2 ZINC000768465249 646127913 /nfs/dbraw/zinc/12/79/13/646127913.db2.gz YQQMPBBACLSBMJ-OZVIIMIRSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CCCC[C@@H]3C1)[C@@H](O)CO2 ZINC000768465249 646127926 /nfs/dbraw/zinc/12/79/26/646127926.db2.gz YQQMPBBACLSBMJ-OZVIIMIRSA-N 0 3 289.375 2.440 20 10 CECDHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464967 646128157 /nfs/dbraw/zinc/12/81/57/646128157.db2.gz CYFPAXZRQTYXBI-NVBFEUDRSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464967 646128159 /nfs/dbraw/zinc/12/81/59/646128159.db2.gz CYFPAXZRQTYXBI-NVBFEUDRSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000768465200 646128584 /nfs/dbraw/zinc/12/85/84/646128584.db2.gz YNNSFAYHGUBEGW-ISTVAULSSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000768465200 646128585 /nfs/dbraw/zinc/12/85/85/646128585.db2.gz YNNSFAYHGUBEGW-ISTVAULSSA-N 0 3 263.337 2.048 20 10 CECDHN CCOC(=O)CC[N@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000769121197 646210766 /nfs/dbraw/zinc/21/07/66/646210766.db2.gz DQIPYQCDBAUDKF-UHFFFAOYSA-N 0 3 293.363 2.318 20 10 CECDHN CCOC(=O)CC[N@@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000769121197 646210771 /nfs/dbraw/zinc/21/07/71/646210771.db2.gz DQIPYQCDBAUDKF-UHFFFAOYSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC000769483441 646276075 /nfs/dbraw/zinc/27/60/75/646276075.db2.gz NFVJDWWEMYHYDL-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H]2CC(=O)OC)c([O-])c1 ZINC000769483441 646276079 /nfs/dbraw/zinc/27/60/79/646276079.db2.gz NFVJDWWEMYHYDL-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1 ZINC000770291259 646377160 /nfs/dbraw/zinc/37/71/60/646377160.db2.gz FRMVLVNITDECOV-IUODEOHRSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1 ZINC000770291259 646377163 /nfs/dbraw/zinc/37/71/63/646377163.db2.gz FRMVLVNITDECOV-IUODEOHRSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000770291254 646377240 /nfs/dbraw/zinc/37/72/40/646377240.db2.gz FRMVLVNITDECOV-DOMZBBRYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000770291254 646377244 /nfs/dbraw/zinc/37/72/44/646377244.db2.gz FRMVLVNITDECOV-DOMZBBRYSA-N 0 3 279.380 2.384 20 10 CECDHN CCN(C)c1ccc(CN(CC(N)=O)C2CCCC2)cc1 ZINC000773747916 646772191 /nfs/dbraw/zinc/77/21/91/646772191.db2.gz LAOBQGMRWKOHCD-UHFFFAOYSA-N 0 3 289.423 2.373 20 10 CECDHN CC[C@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000775503362 646960805 /nfs/dbraw/zinc/96/08/05/646960805.db2.gz GHPDAMJJNXIOBG-ZFWWWQNUSA-N 0 3 279.380 2.486 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)COCCOC)c1ccccc1[O-] ZINC000775527219 646963025 /nfs/dbraw/zinc/96/30/25/646963025.db2.gz PCOVTIFEBZXSBY-TZMCWYRMSA-N 0 3 267.369 2.484 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776253287 647042283 /nfs/dbraw/zinc/04/22/83/647042283.db2.gz VBOIREYJAUJRPM-CHWSQXEVSA-N 0 3 296.798 2.358 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)C1CCCC1 ZINC000778988293 647279505 /nfs/dbraw/zinc/27/95/05/647279505.db2.gz GGDLBIUGPAOGHH-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+](CCO)C1CCCC1 ZINC000778988293 647279507 /nfs/dbraw/zinc/27/95/07/647279507.db2.gz GGDLBIUGPAOGHH-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000865690686 647424979 /nfs/dbraw/zinc/42/49/79/647424979.db2.gz LNJFEAYISYEESK-UHIISALHSA-N 0 3 265.353 2.446 20 10 CECDHN C[C@@H]([NH2+]CCCN1CCCCC1=O)c1ccccc1[O-] ZINC000783509799 647723305 /nfs/dbraw/zinc/72/33/05/647723305.db2.gz SZRIUQLXRNZOQB-CYBMUJFWSA-N 0 3 276.380 2.445 20 10 CECDHN COc1ccc(O)c(CN2CCOCC3(CC3)C2)c1 ZINC000783594692 647734634 /nfs/dbraw/zinc/73/46/34/647734634.db2.gz HWCCISGWZCZHST-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN C[C@H](NC1CN(c2ccncn2)C1)c1ccc(N(C)C)cc1 ZINC000866494009 647804493 /nfs/dbraw/zinc/80/44/93/647804493.db2.gz GBUWWMZFOOHNBB-ZDUSSCGKSA-N 0 3 297.406 2.082 20 10 CECDHN CO[C@@H](CC[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000786824608 648048207 /nfs/dbraw/zinc/04/82/07/648048207.db2.gz XFTADAVIQBJMPM-NSHDSACASA-N 0 3 263.259 2.449 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000789557075 648317652 /nfs/dbraw/zinc/31/76/52/648317652.db2.gz FXNHPAQJWZUYOA-CQSZACIVSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000789557075 648317656 /nfs/dbraw/zinc/31/76/56/648317656.db2.gz FXNHPAQJWZUYOA-CQSZACIVSA-N 0 3 285.771 2.401 20 10 CECDHN CCOc1ccc(C[N@H+](C)CCCCCO)c([O-])c1 ZINC000789761271 648336832 /nfs/dbraw/zinc/33/68/32/648336832.db2.gz DTSXGOAKJUJGGA-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CCCCCO)c([O-])c1 ZINC000789761271 648336837 /nfs/dbraw/zinc/33/68/37/648336837.db2.gz DTSXGOAKJUJGGA-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CN1CCN(Cc2ccccc2O)Cc2cccnc21 ZINC000872265335 649333923 /nfs/dbraw/zinc/33/39/23/649333923.db2.gz OQNDGIKBRRWHIH-UHFFFAOYSA-N 0 3 269.348 2.239 20 10 CECDHN CCCOc1ccc(CN[C@H](CC)C(=O)NC)cc1C ZINC000873129672 649565259 /nfs/dbraw/zinc/56/52/59/649565259.db2.gz PSUVXZJOENPHNS-CQSZACIVSA-N 0 3 278.396 2.398 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)Nc1cccnc1)c1ccccc1[O-] ZINC000879648853 651335233 /nfs/dbraw/zinc/33/52/33/651335233.db2.gz CMJGFSKFGAXFFM-GFCCVEGCSA-N 0 3 285.347 2.467 20 10 CECDHN CCC(C)(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879652709 651336004 /nfs/dbraw/zinc/33/60/04/651336004.db2.gz GPPZHYIPEOPTFW-NSHDSACASA-N 0 3 264.369 2.348 20 10 CECDHN CCN(C)c1ccc(CN(C)[C@@H](CC(C)C)C(N)=O)cc1 ZINC000880589856 651466948 /nfs/dbraw/zinc/46/69/48/651466948.db2.gz GDNTYBSDHBUCPM-INIZCTEOSA-N 0 3 291.439 2.475 20 10 CECDHN C[C@@H](O)CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000131145234 652386402 /nfs/dbraw/zinc/38/64/02/652386402.db2.gz MCAAHHGIKMRZHN-VXGBXAGGSA-N 0 3 298.814 2.208 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)c1ccccc1[O-] ZINC000883277007 652421917 /nfs/dbraw/zinc/42/19/17/652421917.db2.gz SODRYWFSHHGBRW-OCCSQVGLSA-N 0 3 275.348 2.487 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690727116 803031437 /nfs/dbraw/zinc/03/14/37/803031437.db2.gz PBIWEXKANGCGRH-LLVKDONJSA-N 0 3 261.243 2.045 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@]13C[C@H]1CCC3)OCO2 ZINC000693633550 803200099 /nfs/dbraw/zinc/20/00/99/803200099.db2.gz WQWCCFSRCBUOLE-ABAIWWIYSA-N 0 3 261.321 2.401 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814796 803301823 /nfs/dbraw/zinc/30/18/23/803301823.db2.gz VPLBGMNMGHCRQS-YGRLFVJLSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724814796 803301828 /nfs/dbraw/zinc/30/18/28/803301828.db2.gz VPLBGMNMGHCRQS-YGRLFVJLSA-N 0 3 251.301 2.142 20 10 CECDHN COC[C@@H](CC[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000694239155 803522195 /nfs/dbraw/zinc/52/21/95/803522195.db2.gz XPANRNQTVGDLIS-NWDGAFQWSA-N 0 3 253.342 2.094 20 10 CECDHN COc1ccc(CN[C@H]2CCCC23OCCO3)cc1C ZINC000715600454 814977334 /nfs/dbraw/zinc/97/73/34/814977334.db2.gz XSOVCCKDUVVFLB-HNNXBMFYSA-N 0 3 277.364 2.389 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000722355831 804352539 /nfs/dbraw/zinc/35/25/39/804352539.db2.gz HFARTLFKRFEZTR-GWCFXTLKSA-N 0 3 280.343 2.193 20 10 CECDHN CCN(CC)c1ccc(CNC(COC)COC)cc1 ZINC000388393682 807933229 /nfs/dbraw/zinc/93/32/29/807933229.db2.gz FMEXRYZRFXWGMW-UHFFFAOYSA-N 0 3 280.412 2.284 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000606445381 810246828 /nfs/dbraw/zinc/24/68/28/810246828.db2.gz COIWCSHGOACOKG-OLZOCXBDSA-N 0 3 297.420 2.146 20 10 CECDHN CC[C@H]([NH2+]CCCn1cncn1)c1ccccc1[O-] ZINC000381662644 810654689 /nfs/dbraw/zinc/65/46/89/810654689.db2.gz FBTSHTGLHFXOKY-ZDUSSCGKSA-N 0 3 260.341 2.115 20 10 CECDHN CC(C)OCC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172442555 815438841 /nfs/dbraw/zinc/43/88/41/815438841.db2.gz LHZREHFBSPHJRL-LLVKDONJSA-N 0 3 253.342 2.391 20 10 CECDHN CCOC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC001169645413 811604236 /nfs/dbraw/zinc/60/42/36/811604236.db2.gz OGCTWRLIPWUWIZ-AWEZNQCLSA-N 0 3 292.379 2.493 20 10 CECDHN CC[C@@H]([NH2+]C(COC)COC)c1ccccc1[O-] ZINC000388407202 813236759 /nfs/dbraw/zinc/23/67/59/813236759.db2.gz UNGZXJAFVACBPC-CYBMUJFWSA-N 0 3 253.342 2.094 20 10 CECDHN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000712541339 814764685 /nfs/dbraw/zinc/76/46/85/814764685.db2.gz DPKFGAYMTDJWEP-CMPLNLGQSA-N 0 3 252.333 2.276 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](O)C[C@H]2C)c(OC)c1 ZINC001138386079 815787009 /nfs/dbraw/zinc/78/70/09/815787009.db2.gz GQDYIHFFDSJQLK-CZUORRHYSA-N 0 3 292.423 2.497 20 10 CECDHN Cc1ccc(C)c(CN2C[C@H](CO)C[C@H](F)C2)c1O ZINC001140178546 816204570 /nfs/dbraw/zinc/20/45/70/816204570.db2.gz OALMPUGQIAVFSH-OLZOCXBDSA-N 0 3 267.344 2.161 20 10 CECDHN CN(C)c1ccc(CN2CCN3CC[C@@H]3C2)c(Cl)c1 ZINC001140926619 816412180 /nfs/dbraw/zinc/41/21/80/816412180.db2.gz PBTFNXKERPVNKJ-CQSZACIVSA-N 0 3 279.815 2.296 20 10 CECDHN CN(C)c1ccc(CN(C)CC2COC2)c(Cl)c1 ZINC001140924101 816413095 /nfs/dbraw/zinc/41/30/95/816413095.db2.gz DHXGKMVCDOBDSU-UHFFFAOYSA-N 0 3 268.788 2.484 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC2CC2)c(OC)c1 ZINC001141031252 816450957 /nfs/dbraw/zinc/45/09/57/816450957.db2.gz AFIVZNZVFHLKNX-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC2CC2)c(OC)c1 ZINC001141031252 816450963 /nfs/dbraw/zinc/45/09/63/816450963.db2.gz AFIVZNZVFHLKNX-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN Oc1ccc(O)c(CN2CCC3(CC(F)(F)CO3)CC2)c1 ZINC001141156233 816489697 /nfs/dbraw/zinc/48/96/97/816489697.db2.gz HWXSHVUYYILGKM-UHFFFAOYSA-N 0 3 299.317 2.488 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@H](Oc3ccccn3)C2)c1 ZINC001141161313 816491500 /nfs/dbraw/zinc/49/15/00/816491500.db2.gz DJQPJJSMPIVYGV-AWEZNQCLSA-N 0 3 286.331 2.146 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000124608442 365655415 /nfs/dbraw/zinc/65/54/15/365655415.db2.gz YXYJEXHUUGDMNQ-CABCVRRESA-N 0 3 260.381 2.369 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000124608442 365655419 /nfs/dbraw/zinc/65/54/19/365655419.db2.gz YXYJEXHUUGDMNQ-CABCVRRESA-N 0 3 260.381 2.369 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H]2CCCCO2)c1[O-] ZINC000042812106 362120938 /nfs/dbraw/zinc/12/09/38/362120938.db2.gz MATQKMXIWKZHQB-CYBMUJFWSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000229053750 539300581 /nfs/dbraw/zinc/30/05/81/539300581.db2.gz RCUKWZZOTULOOM-VIFPVBQESA-N 0 3 272.776 2.094 20 10 CECDHN CN(C)CCN(C(=O)/C=C/c1cnccn1)c1ccccc1 ZINC000058297229 343642879 /nfs/dbraw/zinc/64/28/79/343642879.db2.gz ZAPXRWICWRNHMY-CMDGGOBGSA-N 0 3 296.374 2.085 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCCSC1)OCO2 ZINC000135702311 366470580 /nfs/dbraw/zinc/47/05/80/366470580.db2.gz UUQZAMRGMOAHIM-SNVBAGLBSA-N 0 3 267.350 2.106 20 10 CECDHN C[C@@H](NCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550959 361583567 /nfs/dbraw/zinc/58/35/67/361583567.db2.gz CSNUVCYQFLZUMO-GFCCVEGCSA-N 0 3 266.360 2.459 20 10 CECDHN CN(C)c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1 ZINC000092615949 364088070 /nfs/dbraw/zinc/08/80/70/364088070.db2.gz AMDJYFHGBNSMJP-QGZVFWFLSA-N 0 3 273.424 2.423 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150811 364146076 /nfs/dbraw/zinc/14/60/76/364146076.db2.gz HDVKRDNTIMDOTM-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCCN(c3cccnn3)CC2)c1 ZINC000093150811 364146083 /nfs/dbraw/zinc/14/60/83/364146083.db2.gz HDVKRDNTIMDOTM-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000093820513 364232599 /nfs/dbraw/zinc/23/25/99/364232599.db2.gz WVFWGPAFTMDEFY-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000093820513 364232604 /nfs/dbraw/zinc/23/26/04/364232604.db2.gz WVFWGPAFTMDEFY-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN CC[C@H](N)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000167861129 367343511 /nfs/dbraw/zinc/34/35/11/367343511.db2.gz IMAOZKZQMDTPFO-INIZCTEOSA-N 0 3 289.423 2.276 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CCO)c1[O-] ZINC000169088040 367365335 /nfs/dbraw/zinc/36/53/35/367365335.db2.gz NDLIXSXDZQIJOQ-UHFFFAOYSA-N 0 3 273.760 2.305 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000179895044 368356588 /nfs/dbraw/zinc/35/65/88/368356588.db2.gz FSNIBCPGMJWVGS-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000179895044 368356598 /nfs/dbraw/zinc/35/65/98/368356598.db2.gz FSNIBCPGMJWVGS-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC(n3ccnc3)CC2)c1 ZINC000179902855 368357385 /nfs/dbraw/zinc/35/73/85/368357385.db2.gz DONCTAQMBMJWEJ-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN CC(C)[NH2+]C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000180030018 368363204 /nfs/dbraw/zinc/36/32/04/368363204.db2.gz DLHZNJTVGBGCSK-UHFFFAOYSA-N 0 3 266.360 2.494 20 10 CECDHN Cc1cccc(CN2CCOC3(CCOCC3)C2)c1O ZINC000180698996 368393816 /nfs/dbraw/zinc/39/38/16/368393816.db2.gz GSHJJBMGGWSVCI-UHFFFAOYSA-N 0 3 277.364 2.082 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000183325981 368623398 /nfs/dbraw/zinc/62/33/98/368623398.db2.gz ZVAYQLGGTJESNY-SNVBAGLBSA-N 0 3 290.285 2.111 20 10 CECDHN CCCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000189346662 369503630 /nfs/dbraw/zinc/50/36/30/369503630.db2.gz YXXVVGSRVMLFET-LSDHHAIUSA-N 0 3 279.380 2.430 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000190217188 369605591 /nfs/dbraw/zinc/60/55/91/369605591.db2.gz WXWXYZWBWQMLIO-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000190217188 369605595 /nfs/dbraw/zinc/60/55/95/369605595.db2.gz WXWXYZWBWQMLIO-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000190216844 369605982 /nfs/dbraw/zinc/60/59/82/369605982.db2.gz LBJYJOMRLBCRIX-MRXNPFEDSA-N 0 3 293.363 2.105 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000190216844 369605987 /nfs/dbraw/zinc/60/59/87/369605987.db2.gz LBJYJOMRLBCRIX-MRXNPFEDSA-N 0 3 293.363 2.105 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000191727919 369737518 /nfs/dbraw/zinc/73/75/18/369737518.db2.gz PHBSTBNHGZSIKC-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000191727919 369737521 /nfs/dbraw/zinc/73/75/21/369737521.db2.gz PHBSTBNHGZSIKC-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN CC(C)N1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226583613 370347547 /nfs/dbraw/zinc/34/75/47/370347547.db2.gz PAQWYQYNXZLKKS-UHFFFAOYSA-N 0 3 266.360 2.494 20 10 CECDHN CCN(CC[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226589260 370347710 /nfs/dbraw/zinc/34/77/10/370347710.db2.gz BPSGUPVLZYQNCL-UHFFFAOYSA-N 0 3 252.333 2.105 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000252804596 371480806 /nfs/dbraw/zinc/48/08/06/371480806.db2.gz DJEMVQXTELVNAJ-MHNGPXOMSA-N 0 3 273.373 2.339 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)C ZINC000266594507 372049480 /nfs/dbraw/zinc/04/94/80/372049480.db2.gz VHPKNWOBXRIPDL-HNNXBMFYSA-N 0 3 281.396 2.390 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC(C)C ZINC000266594507 372049482 /nfs/dbraw/zinc/04/94/82/372049482.db2.gz VHPKNWOBXRIPDL-HNNXBMFYSA-N 0 3 281.396 2.390 20 10 CECDHN CC[C@@H](C(=O)NCCc1ccc(N)cc1)N(CC)CC ZINC000269154468 372359797 /nfs/dbraw/zinc/35/97/97/372359797.db2.gz ZWJJLWWAJRASJW-HNNXBMFYSA-N 0 3 277.412 2.048 20 10 CECDHN CCCN(CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000270675874 372895995 /nfs/dbraw/zinc/89/59/95/372895995.db2.gz BIJQFXLHBQLMQB-UHFFFAOYSA-N 0 3 277.412 2.101 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000271017658 373069161 /nfs/dbraw/zinc/06/91/61/373069161.db2.gz RTVGCUNTPKMNOT-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000271017658 373069168 /nfs/dbraw/zinc/06/91/68/373069168.db2.gz RTVGCUNTPKMNOT-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+](CCO)C2CC2)c([O-])c1 ZINC000271093103 373114284 /nfs/dbraw/zinc/11/42/84/373114284.db2.gz XGJACEIUCSSEGN-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@@H+](CCO)C2CC2)c([O-])c1 ZINC000271093103 373114291 /nfs/dbraw/zinc/11/42/91/373114291.db2.gz XGJACEIUCSSEGN-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1[O-] ZINC000367683867 373181076 /nfs/dbraw/zinc/18/10/76/373181076.db2.gz GEISHJLMIPHQHR-CNDDSTCGSA-N 0 3 283.755 2.036 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000271700146 373198639 /nfs/dbraw/zinc/19/86/39/373198639.db2.gz CLTLXMONZAMGKQ-GFCCVEGCSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000271700146 373198642 /nfs/dbraw/zinc/19/86/42/373198642.db2.gz CLTLXMONZAMGKQ-GFCCVEGCSA-N 0 3 255.745 2.311 20 10 CECDHN COc1cccc(C[N@@H+]2CCCSCC2)c1[O-] ZINC000273434247 373757267 /nfs/dbraw/zinc/75/72/67/373757267.db2.gz UZKAWXTUSLDPKY-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN COc1cccc(C[N@H+]2CCCSCC2)c1[O-] ZINC000273434247 373757271 /nfs/dbraw/zinc/75/72/71/373757271.db2.gz UZKAWXTUSLDPKY-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c([O-])c1 ZINC000273529602 373762883 /nfs/dbraw/zinc/76/28/83/373762883.db2.gz WANXKJKSXCRVFW-STQMWFEESA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273603127 373766721 /nfs/dbraw/zinc/76/67/21/373766721.db2.gz SJOAVRSLWDPHGQ-GFCCVEGCSA-N 0 3 276.380 2.397 20 10 CECDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(F)ccc1[O-] ZINC000282191889 375424743 /nfs/dbraw/zinc/42/47/43/375424743.db2.gz GGPDPOONOBVHNC-DYBLOJMWSA-N 0 3 271.357 2.093 20 10 CECDHN CCCCN(CC(=O)NCC)Cc1ccccc1O ZINC000282490538 375497646 /nfs/dbraw/zinc/49/76/46/375497646.db2.gz PVOLVZLJRYTHJY-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN Cc1ccc([C@H](C)N[C@@H](C)C(=O)NCCF)c(O)c1C ZINC000282773574 375571290 /nfs/dbraw/zinc/57/12/90/375571290.db2.gz PAUWIEZEIWBBKN-RYUDHWBXSA-N 0 3 282.359 2.134 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282984403 375629803 /nfs/dbraw/zinc/62/98/03/375629803.db2.gz ZVWRJXZTACDRNA-HOCLYGCPSA-N 0 3 291.391 2.050 20 10 CECDHN COc1cc(Cl)cc(CNCc2cc(C)nn2C)c1O ZINC000284430535 375828028 /nfs/dbraw/zinc/82/80/28/375828028.db2.gz RXPYQXQIQRYMDY-UHFFFAOYSA-N 0 3 295.770 2.386 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c1 ZINC000287166535 376164282 /nfs/dbraw/zinc/16/42/82/376164282.db2.gz UHBWVHZTIOZGKJ-STQMWFEESA-N 0 3 297.420 2.176 20 10 CECDHN COCC(C)(C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000292862650 377320011 /nfs/dbraw/zinc/32/00/11/377320011.db2.gz VMSMKTQKWOWBAM-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN COCC(C)(C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000292862650 377320027 /nfs/dbraw/zinc/32/00/27/377320027.db2.gz VMSMKTQKWOWBAM-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1 ZINC000293785047 377755952 /nfs/dbraw/zinc/75/59/52/377755952.db2.gz QISVKCUDXDOWKX-GFCCVEGCSA-N 0 3 264.369 2.138 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294657403 378002465 /nfs/dbraw/zinc/00/24/65/378002465.db2.gz HDTMNAWOOVPSDG-QWHCGFSZSA-N 0 3 299.436 2.483 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1c(C)cc(C)cc1O ZINC000294657403 378002468 /nfs/dbraw/zinc/00/24/68/378002468.db2.gz HDTMNAWOOVPSDG-QWHCGFSZSA-N 0 3 299.436 2.483 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)cc1OC ZINC000294923287 378030086 /nfs/dbraw/zinc/03/00/86/378030086.db2.gz BBJDPFWFMVWRQH-JTQLQIEISA-N 0 3 283.368 2.049 20 10 CECDHN CC[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H](O)C(F)F ZINC000295114510 378042952 /nfs/dbraw/zinc/04/29/52/378042952.db2.gz VMMFCMSSUUPQCP-AAEUAGOBSA-N 0 3 290.329 2.386 20 10 CECDHN C[C@H](NC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295186485 378047454 /nfs/dbraw/zinc/04/74/54/378047454.db2.gz NLPOFOUWRXRDLL-NSHDSACASA-N 0 3 288.391 2.028 20 10 CECDHN CCC[C@@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297976251 378691361 /nfs/dbraw/zinc/69/13/61/378691361.db2.gz VTNIBQKXTKWWPM-CQSZACIVSA-N 0 3 291.439 2.489 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@H](CC)N(C)C ZINC000298569226 378769608 /nfs/dbraw/zinc/76/96/08/378769608.db2.gz KHGCSICNVGPMBS-AWEZNQCLSA-N 0 3 278.396 2.471 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC[C@H]2CCCOC2)cc1OC ZINC000529636450 380181138 /nfs/dbraw/zinc/18/11/38/380181138.db2.gz BVRMJLCQYJAOSX-GFCCVEGCSA-N 0 3 295.379 2.316 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185511762 262057686 /nfs/dbraw/zinc/05/76/86/262057686.db2.gz PLIVAYKIDZMTGZ-UHIISALHSA-N 0 3 269.410 2.464 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185510862 262057799 /nfs/dbraw/zinc/05/77/99/262057799.db2.gz ASDMJINHUITFHY-MISXGVKJSA-N 0 3 269.410 2.464 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000036932890 260052295 /nfs/dbraw/zinc/05/22/95/260052295.db2.gz RSRDIOIWMBTULR-DZGCQCFKSA-N 0 3 278.396 2.154 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000226381173 394470677 /nfs/dbraw/zinc/47/06/77/394470677.db2.gz PTBOTJBJMXVLCJ-JTQLQIEISA-N 0 3 253.367 2.244 20 10 CECDHN CCC1(CO)CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000093592405 394667247 /nfs/dbraw/zinc/66/72/47/394667247.db2.gz CJOWXTWJTRXLLA-UHFFFAOYSA-N 0 3 293.363 2.105 20 10 CECDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000268573874 394696764 /nfs/dbraw/zinc/69/67/64/394696764.db2.gz RQSUQNCUCJUYMU-HUUCEWRRSA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000268573874 394696765 /nfs/dbraw/zinc/69/67/65/394696765.db2.gz RQSUQNCUCJUYMU-HUUCEWRRSA-N 0 3 279.380 2.144 20 10 CECDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H](C)C1 ZINC000282367582 394918050 /nfs/dbraw/zinc/91/80/50/394918050.db2.gz QCINKKGMFFALDE-JQWIXIFHSA-N 0 3 279.336 2.120 20 10 CECDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H](C)C1 ZINC000282367582 394918054 /nfs/dbraw/zinc/91/80/54/394918054.db2.gz QCINKKGMFFALDE-JQWIXIFHSA-N 0 3 279.336 2.120 20 10 CECDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375857752 395101320 /nfs/dbraw/zinc/10/13/20/395101320.db2.gz DLMCWRSPLQSNSM-CVEARBPZSA-N 0 3 288.391 2.368 20 10 CECDHN CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375857752 395101324 /nfs/dbraw/zinc/10/13/24/395101324.db2.gz DLMCWRSPLQSNSM-CVEARBPZSA-N 0 3 288.391 2.368 20 10 CECDHN C[NH+](C)[C@@H]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000375943546 395104804 /nfs/dbraw/zinc/10/48/04/395104804.db2.gz VSQNDTMWWZIMMZ-CQSZACIVSA-N 0 3 266.360 2.447 20 10 CECDHN COCCCOCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000181522654 395219677 /nfs/dbraw/zinc/21/96/77/395219677.db2.gz SSMXEVCFAGPFOD-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN COCCCOCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000181522654 395219682 /nfs/dbraw/zinc/21/96/82/395219682.db2.gz SSMXEVCFAGPFOD-UHFFFAOYSA-N 0 3 271.332 2.016 20 10 CECDHN CCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000183701873 395261436 /nfs/dbraw/zinc/26/14/36/395261436.db2.gz CGACNSAWZHDIKG-UHFFFAOYSA-N 0 3 294.395 2.244 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1SC ZINC000298198591 260147733 /nfs/dbraw/zinc/14/77/33/260147733.db2.gz XQTMMHFBWKJNCI-KYOSRNDESA-N 0 3 297.420 2.399 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)NC2CC2)c1 ZINC000092987192 260272599 /nfs/dbraw/zinc/27/25/99/260272599.db2.gz CHZRGOFQBHMZIV-LLVKDONJSA-N 0 3 292.379 2.110 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128219788 260373588 /nfs/dbraw/zinc/37/35/88/260373588.db2.gz PLNOHVBZBSVPQD-NWDGAFQWSA-N 0 3 285.771 2.303 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050583 261152905 /nfs/dbraw/zinc/15/29/05/261152905.db2.gz HRSKWOYHYXLUSD-NEPJUHHUSA-N 0 3 265.328 2.390 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050583 261152907 /nfs/dbraw/zinc/15/29/07/261152907.db2.gz HRSKWOYHYXLUSD-NEPJUHHUSA-N 0 3 265.328 2.390 20 10 CECDHN CC[C@@H](C)NC(=O)[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000182343862 261934674 /nfs/dbraw/zinc/93/46/74/261934674.db2.gz AUGLUFIVAZOBOG-GRYCIOLGSA-N 0 3 294.395 2.355 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000184072442 262007246 /nfs/dbraw/zinc/00/72/46/262007246.db2.gz YOCDDJPEAMBCIY-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCOCC2)c([O-])c1 ZINC000185450034 262055525 /nfs/dbraw/zinc/05/55/25/262055525.db2.gz ZSGJQMWLYODEHG-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc2c(cc1[O-])CCCC2 ZINC000186178189 262083617 /nfs/dbraw/zinc/08/36/17/262083617.db2.gz HLFHLRHZPOLXED-PXAZEXFGSA-N 0 3 291.391 2.073 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000186443179 262093198 /nfs/dbraw/zinc/09/31/98/262093198.db2.gz IIUHGQFNEBRJST-VXGBXAGGSA-N 0 3 278.352 2.274 20 10 CECDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171620 262247575 /nfs/dbraw/zinc/24/75/75/262247575.db2.gz IZYLWUQWHLELGN-BBRMVZONSA-N 0 3 289.423 2.276 20 10 CECDHN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCCN1 ZINC000195171562 262247704 /nfs/dbraw/zinc/24/77/04/262247704.db2.gz JTIAQAQFWZPCEJ-INIZCTEOSA-N 0 3 287.407 2.045 20 10 CECDHN CC1CCN(CC[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226584757 263199598 /nfs/dbraw/zinc/19/95/98/263199598.db2.gz WJXARTCZHOXMLI-UHFFFAOYSA-N 0 3 266.360 2.353 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368022061 267136389 /nfs/dbraw/zinc/13/63/89/267136389.db2.gz MPZOSYBBUWJYFH-ZIAGYGMSSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000368022061 267136393 /nfs/dbraw/zinc/13/63/93/267136393.db2.gz MPZOSYBBUWJYFH-ZIAGYGMSSA-N 0 3 276.380 2.444 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COC ZINC000282573085 276233760 /nfs/dbraw/zinc/23/37/60/276233760.db2.gz ZTAWPSKWIPIREZ-CQSZACIVSA-N 0 3 267.369 2.002 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)COC ZINC000282573085 276233762 /nfs/dbraw/zinc/23/37/62/276233762.db2.gz ZTAWPSKWIPIREZ-CQSZACIVSA-N 0 3 267.369 2.002 20 10 CECDHN CC[C@H](c1ccccc1O)N1CCO[C@@H](COC)C1 ZINC000366696211 288167583 /nfs/dbraw/zinc/16/75/83/288167583.db2.gz YJXGHVMRJBNQOZ-TZMCWYRMSA-N 0 3 265.353 2.191 20 10 CECDHN CN(C)c1ccc(CNCC2(C)OCCCO2)cc1F ZINC000277529788 289408681 /nfs/dbraw/zinc/40/86/81/289408681.db2.gz YCFXVZZYOBQHEF-UHFFFAOYSA-N 0 3 282.359 2.134 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000527959927 313221039 /nfs/dbraw/zinc/22/10/39/313221039.db2.gz ZUBKGTSUPATPFG-IMJJTQAJSA-N 0 3 279.380 2.281 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000185361170 327838693 /nfs/dbraw/zinc/83/86/93/327838693.db2.gz JPRDOMFKOVMFRJ-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c([O-])c1 ZINC000185179542 327915095 /nfs/dbraw/zinc/91/50/95/327915095.db2.gz UKKIMWYERLKQOO-SECBINFHSA-N 0 3 290.285 2.030 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[O-] ZINC000367067891 328587137 /nfs/dbraw/zinc/58/71/37/328587137.db2.gz OWGQMUDJNLGYLR-OWRWGESLSA-N 0 3 274.364 2.100 20 10 CECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000529668485 328593000 /nfs/dbraw/zinc/59/30/00/328593000.db2.gz GHOABQDYDPCGAD-RZGXBDKHSA-N 0 3 253.317 2.433 20 10 CECDHN C[S@](=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296240953 327091149 /nfs/dbraw/zinc/09/11/49/327091149.db2.gz AUUXTQBWMRWVEP-BUXKBTBVSA-N 0 3 279.405 2.270 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000278555461 327175980 /nfs/dbraw/zinc/17/59/80/327175980.db2.gz OVWIJGXDULEESA-SUNKGSAMSA-N 0 3 265.353 2.476 20 10 CECDHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1[O-] ZINC000530216262 328716814 /nfs/dbraw/zinc/71/68/14/328716814.db2.gz PAIANCSNHFWMLZ-YGRLFVJLSA-N 0 3 264.344 2.467 20 10 CECDHN COC[C@@H]1CCCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000375096253 329000391 /nfs/dbraw/zinc/00/03/91/329000391.db2.gz DNALPYBSYKZPEB-GFCCVEGCSA-N 0 3 293.363 2.369 20 10 CECDHN COC[C@@H]1CCCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000375096253 329000393 /nfs/dbraw/zinc/00/03/93/329000393.db2.gz DNALPYBSYKZPEB-GFCCVEGCSA-N 0 3 293.363 2.369 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1 ZINC000377648548 329023117 /nfs/dbraw/zinc/02/31/17/329023117.db2.gz ORJJGRBXNWWPAG-OAHLLOKOSA-N 0 3 298.390 2.249 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccccc1[O-] ZINC000360001947 329069729 /nfs/dbraw/zinc/06/97/29/329069729.db2.gz WYRRLWHWEANGCZ-CHWSQXEVSA-N 0 3 286.379 2.055 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3O)[C@@H]2C1 ZINC000179587328 329210275 /nfs/dbraw/zinc/21/02/75/329210275.db2.gz UQUXZCHFSJBNDS-IIAWOOMASA-N 0 3 277.364 2.161 20 10 CECDHN C[C@@H]([NH2+]Cc1cccnc1-n1cncn1)c1ccccc1[O-] ZINC000183419452 329247595 /nfs/dbraw/zinc/24/75/95/329247595.db2.gz MTRRNFAJRYXCJB-GFCCVEGCSA-N 0 3 295.346 2.219 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](CCO)COC)cc1 ZINC000219132015 333142604 /nfs/dbraw/zinc/14/26/04/333142604.db2.gz KNVPDXBVQAWVBC-HNNXBMFYSA-N 0 3 280.412 2.020 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000219906469 333158923 /nfs/dbraw/zinc/15/89/23/333158923.db2.gz BZXDEKKCUYKNKM-YPMHNXCESA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)CC(C)(C)C)c1 ZINC000224823439 333226373 /nfs/dbraw/zinc/22/63/73/333226373.db2.gz YKXSGTSCEZJMOY-LBPRGKRZSA-N 0 3 267.369 2.288 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1cccc(OCC)c1[O-] ZINC000226249770 333255064 /nfs/dbraw/zinc/25/50/64/333255064.db2.gz LZIWZSINSFGMOI-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000230690040 333321013 /nfs/dbraw/zinc/32/10/13/333321013.db2.gz GSLXKRGLANRWEV-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC1CCSCC1)OCO2 ZINC000134610104 334097274 /nfs/dbraw/zinc/09/72/74/334097274.db2.gz GWOYOTNOXFYECZ-UHFFFAOYSA-N 0 3 281.377 2.354 20 10 CECDHN CC(C)C(=O)NCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037219945 519501632 /nfs/dbraw/zinc/50/16/32/519501632.db2.gz KBQVROUZEYRXHZ-CYBMUJFWSA-N 0 3 277.412 2.175 20 10 CECDHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC1 ZINC000291194978 519653681 /nfs/dbraw/zinc/65/36/81/519653681.db2.gz UHKUAHWOLFEOIN-GFCCVEGCSA-N 0 3 279.336 2.120 20 10 CECDHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCOC1 ZINC000291194978 519653683 /nfs/dbraw/zinc/65/36/83/519653683.db2.gz UHKUAHWOLFEOIN-GFCCVEGCSA-N 0 3 279.336 2.120 20 10 CECDHN CCCNC(=O)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000279949807 519880824 /nfs/dbraw/zinc/88/08/24/519880824.db2.gz BQHQWRHHNPKDBB-CYBMUJFWSA-N 0 3 264.369 2.268 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000280568732 520352289 /nfs/dbraw/zinc/35/22/89/520352289.db2.gz VPZBNBPMFBVCJH-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000280568732 520352293 /nfs/dbraw/zinc/35/22/93/520352293.db2.gz VPZBNBPMFBVCJH-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[NH2+][C@H](C)C(=O)N(C)CC)c([O-])c1 ZINC000188894631 520370982 /nfs/dbraw/zinc/37/09/82/520370982.db2.gz WIKCEYNBKYJJIF-GFCCVEGCSA-N 0 3 294.395 2.137 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000126137464 521143430 /nfs/dbraw/zinc/14/34/30/521143430.db2.gz FSPFFPOFBFMAKJ-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CCOc1ccc(O)c(CN2CCC3(CC2)OCCO3)c1 ZINC000126137464 521143438 /nfs/dbraw/zinc/14/34/38/521143438.db2.gz FSPFFPOFBFMAKJ-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CCOc1cccc(C[NH2+]C2CCN(CC)CC2)c1[O-] ZINC000038097914 521360002 /nfs/dbraw/zinc/36/00/02/521360002.db2.gz OILMHODEFVWEID-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280272603 522584826 /nfs/dbraw/zinc/58/48/26/522584826.db2.gz YAMOBBPEIGBZOE-INIZCTEOSA-N 0 3 292.423 2.464 20 10 CECDHN CC[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccccc1[O-] ZINC000280782321 522627544 /nfs/dbraw/zinc/62/75/44/522627544.db2.gz GYJRYSCZWOUNOD-GUTXKFCHSA-N 0 3 279.380 2.078 20 10 CECDHN CC[C@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccccc1[O-] ZINC000274896958 522750817 /nfs/dbraw/zinc/75/08/17/522750817.db2.gz KKEIOEODQYCGTR-JSGCOSHPSA-N 0 3 276.380 2.442 20 10 CECDHN COc1cc(O)c(CN2CC[C@H](O)C(C)(C)C2)cc1OC ZINC000276093298 522778195 /nfs/dbraw/zinc/77/81/95/522778195.db2.gz YEDYDTKFJRIWDW-HNNXBMFYSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCSC2)cc1OC ZINC000280536170 522781420 /nfs/dbraw/zinc/78/14/20/522781420.db2.gz SGCNSEVAJYGILG-SNVBAGLBSA-N 0 3 283.393 2.252 20 10 CECDHN COC[C@H](O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000265447129 522801440 /nfs/dbraw/zinc/80/14/40/522801440.db2.gz VYIBMNSXAMCBMK-MRXNPFEDSA-N 0 3 287.359 2.156 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC(CO)CC1 ZINC000290583767 523184041 /nfs/dbraw/zinc/18/40/41/523184041.db2.gz UTDQCXPHPHOXDL-UHFFFAOYSA-N 0 3 293.363 2.104 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC(CO)CC1 ZINC000290583767 523184046 /nfs/dbraw/zinc/18/40/46/523184046.db2.gz UTDQCXPHPHOXDL-UHFFFAOYSA-N 0 3 293.363 2.104 20 10 CECDHN CO[C@@H](CNCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000292901019 523538067 /nfs/dbraw/zinc/53/80/67/523538067.db2.gz DRPYNHRSDVSKEC-HNNXBMFYSA-N 0 3 266.360 2.406 20 10 CECDHN COCCN(CC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000289420785 523698946 /nfs/dbraw/zinc/69/89/46/523698946.db2.gz JCAVTWKBPOMYAI-UHFFFAOYSA-N 0 3 286.803 2.056 20 10 CECDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000290224469 524010358 /nfs/dbraw/zinc/01/03/58/524010358.db2.gz RDOSLZQSGANYEM-KCTSRDHCSA-N 0 3 291.391 2.335 20 10 CECDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000290224469 524010362 /nfs/dbraw/zinc/01/03/62/524010362.db2.gz RDOSLZQSGANYEM-KCTSRDHCSA-N 0 3 291.391 2.335 20 10 CECDHN C[C@H](CN1CCCC1=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037782526 524325317 /nfs/dbraw/zinc/32/53/17/524325317.db2.gz ZMYGQYWRJQJOJR-ZIAGYGMSSA-N 0 3 289.423 2.414 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H](C)N1C ZINC000141910174 525003144 /nfs/dbraw/zinc/00/31/44/525003144.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H](C)N1C ZINC000141910174 525003152 /nfs/dbraw/zinc/00/31/52/525003152.db2.gz RGEIBELARWGBKE-PHIMTYICSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@H]([NH2+]C1CCN(C)CC1)c1cc(F)ccc1[O-] ZINC000094617081 525291956 /nfs/dbraw/zinc/29/19/56/525291956.db2.gz AQLHZAYEIVNBNK-JTQLQIEISA-N 0 3 252.333 2.276 20 10 CECDHN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(F)ccc1[O-] ZINC000282191894 525318191 /nfs/dbraw/zinc/31/81/91/525318191.db2.gz GGPDPOONOBVHNC-NIVTXAMTSA-N 0 3 271.357 2.093 20 10 CECDHN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(F)ccc1[O-] ZINC000281024389 525322494 /nfs/dbraw/zinc/32/24/94/525322494.db2.gz MNUVIQSEAHVYII-OVWNDWIMSA-N 0 3 285.384 2.483 20 10 CECDHN Cc1ccc(O)c([C@H](C)N[C@@H](C)C(=O)N2CCCC2)c1 ZINC000228093727 525364696 /nfs/dbraw/zinc/36/46/96/525364696.db2.gz MCXGQESLBHNQGV-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c1 ZINC000228093727 525364701 /nfs/dbraw/zinc/36/47/01/525364701.db2.gz MCXGQESLBHNQGV-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN COc1cccc(C[NH2+]C[C@](C)(O)c2ccccc2)c1[O-] ZINC000265182771 526023345 /nfs/dbraw/zinc/02/33/45/526023345.db2.gz WXUFQLWQQBAYCJ-KRWDZBQOSA-N 0 3 287.359 2.398 20 10 CECDHN O=C1C[C@@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CN1 ZINC000278845035 527025739 /nfs/dbraw/zinc/02/57/39/527025739.db2.gz SZBAXDLSEXOGBA-SFHVURJKSA-N 0 3 296.370 2.257 20 10 CECDHN O=C1C[C@@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CN1 ZINC000278845035 527025743 /nfs/dbraw/zinc/02/57/43/527025743.db2.gz SZBAXDLSEXOGBA-SFHVURJKSA-N 0 3 296.370 2.257 20 10 CECDHN CCOc1cccc(C[NH2+]CCOCC(F)F)c1[O-] ZINC000190898735 528653993 /nfs/dbraw/zinc/65/39/93/528653993.db2.gz FZHMKTHLCHJMDZ-UHFFFAOYSA-N 0 3 275.295 2.162 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@](C)(O)C2CC2)c([O-])c1 ZINC000732668939 574625636 /nfs/dbraw/zinc/62/56/36/574625636.db2.gz LTJGSBUQALDLIY-HNNXBMFYSA-N 0 3 265.353 2.042 20 10 CECDHN CCOCc1cc(CNCCC[S@](C)=O)ccc1OC ZINC000735084983 574742273 /nfs/dbraw/zinc/74/22/73/574742273.db2.gz GAVVLKOERABWFX-FQEVSTJZSA-N 0 3 299.436 2.090 20 10 CECDHN CCN(C)c1ccc(CN2CCCN(C(C)=O)CC2)cc1 ZINC000741752952 574996403 /nfs/dbraw/zinc/99/64/03/574996403.db2.gz KIUCWOLTHOLOAR-UHFFFAOYSA-N 0 3 289.423 2.197 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCOC2CCC2)c1 ZINC000742385510 575019333 /nfs/dbraw/zinc/01/93/33/575019333.db2.gz IWHPGRIKXGVYLM-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN CC1(C[N@@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)COC1 ZINC000744402321 575120599 /nfs/dbraw/zinc/12/05/99/575120599.db2.gz MUZHMUZGWUDHFH-HNNXBMFYSA-N 0 3 291.391 2.410 20 10 CECDHN CC1(C[N@H+](Cc2ccccc2[O-])C[C@@H]2CCCO2)COC1 ZINC000744402321 575120600 /nfs/dbraw/zinc/12/06/00/575120600.db2.gz MUZHMUZGWUDHFH-HNNXBMFYSA-N 0 3 291.391 2.410 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000725841457 625611672 /nfs/dbraw/zinc/61/16/72/625611672.db2.gz JIDDVWQPLLMANO-CYBMUJFWSA-N 0 3 251.326 2.060 20 10 CECDHN C/C=C(/C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253351 623328438 /nfs/dbraw/zinc/32/84/38/623328438.db2.gz RKASMKXZTJJYEQ-VXXVJXPCSA-N 0 3 289.423 2.438 20 10 CECDHN CC(C)=CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256904 623330944 /nfs/dbraw/zinc/33/09/44/623330944.db2.gz BLWFMWBZBMXFAZ-INIZCTEOSA-N 0 3 289.423 2.438 20 10 CECDHN CN(C)c1ccc(CN(C)Cc2cccc(C(N)=O)c2)cc1 ZINC000051588401 624452864 /nfs/dbraw/zinc/45/28/64/624452864.db2.gz ZHAZKCOANSLRED-UHFFFAOYSA-N 0 3 297.402 2.484 20 10 CECDHN COc1ccc(CNCc2cccc(O)c2)c(O)c1OC ZINC000892783753 627772907 /nfs/dbraw/zinc/77/29/07/627772907.db2.gz DAAXPABQGOXADF-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN CCCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097655 628774727 /nfs/dbraw/zinc/77/47/27/628774727.db2.gz AEHXIKBGFHZVJS-OAHLLOKOSA-N 0 3 277.412 2.272 20 10 CECDHN COC[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228669685 628922965 /nfs/dbraw/zinc/92/29/65/628922965.db2.gz WUAMIYRBQPJICL-MRVPVSSYSA-N 0 3 259.733 2.179 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](C)N1CCOCC1 ZINC000248384381 629141898 /nfs/dbraw/zinc/14/18/98/629141898.db2.gz DRWMFKZCMWEPPH-RDBSUJKOSA-N 0 3 278.396 2.152 20 10 CECDHN COc1cc(C)cc(CN2CCC[C@H]2C2OCCO2)c1O ZINC000902623622 634737928 /nfs/dbraw/zinc/73/79/28/634737928.db2.gz ZZFJCNVRXTWJLG-ZDUSSCGKSA-N 0 3 293.363 2.047 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797069550 630123307 /nfs/dbraw/zinc/12/33/07/630123307.db2.gz GDJFSHNIVSOAGX-MNOVXSKESA-N 0 3 283.393 2.009 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000797070863 630124415 /nfs/dbraw/zinc/12/44/15/630124415.db2.gz NFVGBHOYDRCUAN-VXGBXAGGSA-N 0 3 297.420 2.317 20 10 CECDHN CCOc1ccc(C[NH2+]C2(CF)CCOCC2)c([O-])c1 ZINC000824691153 635478574 /nfs/dbraw/zinc/47/85/74/635478574.db2.gz VMLDYKRAZRYAIU-UHFFFAOYSA-N 0 3 283.343 2.399 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000897020465 630887194 /nfs/dbraw/zinc/88/71/94/630887194.db2.gz GKRABMUBARKBNZ-AWEZNQCLSA-N 0 3 290.363 2.021 20 10 CECDHN COCC(COC)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824922265 635526237 /nfs/dbraw/zinc/52/62/37/635526237.db2.gz ZGLIUSASRFDHCP-UHFFFAOYSA-N 0 3 273.760 2.105 20 10 CECDHN CC[C@@H](NCCS(=O)(=O)CC)c1ccc(N(C)C)cc1 ZINC000163507278 631823641 /nfs/dbraw/zinc/82/36/41/631823641.db2.gz GQLMVEFYWYPJDJ-OAHLLOKOSA-N 0 3 298.452 2.228 20 10 CECDHN CO[C@@H]1CCOC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000897890558 631963599 /nfs/dbraw/zinc/96/35/99/631963599.db2.gz SHSJYEUYHWKPSZ-OSNZYPHYSA-N 0 3 290.407 2.159 20 10 CECDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718543 632004956 /nfs/dbraw/zinc/00/49/56/632004956.db2.gz NRIMWCRNCKAJRQ-KOLCDFICSA-N 0 3 273.760 2.012 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065126 632039415 /nfs/dbraw/zinc/03/94/15/632039415.db2.gz DJOAEWCDISZNJO-BLLLJJGKSA-N 0 3 289.375 2.450 20 10 CECDHN COc1ccc(O)c(CNCc2cnc([C@H](C)O)s2)c1 ZINC000809620775 632112982 /nfs/dbraw/zinc/11/29/82/632112982.db2.gz VIGCKKMOLNTYRK-VIFPVBQESA-N 0 3 294.376 2.200 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c([O-])c1 ZINC000898387954 632478048 /nfs/dbraw/zinc/47/80/48/632478048.db2.gz SHIGXXSXLHTEMI-NVXWUHKLSA-N 0 3 269.344 2.449 20 10 CECDHN OC1CCN(c2ccc(CNC/C=C/Cl)cc2)CC1 ZINC000898427644 632487468 /nfs/dbraw/zinc/48/74/68/632487468.db2.gz DJBGNNKGQUUOGU-UNXLUWIOSA-N 0 3 280.799 2.490 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000812780321 632577372 /nfs/dbraw/zinc/57/73/72/632577372.db2.gz ACRCPZNIYQPBDY-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000812780321 632577375 /nfs/dbraw/zinc/57/73/75/632577375.db2.gz ACRCPZNIYQPBDY-AWEZNQCLSA-N 0 3 287.363 2.434 20 10 CECDHN CCN(CC)c1ccc(CNC2COCCOC2)cc1F ZINC000813788996 632735244 /nfs/dbraw/zinc/73/52/44/632735244.db2.gz FXKAEAZZEVXRHC-UHFFFAOYSA-N 0 3 296.386 2.177 20 10 CECDHN CCNC(=O)[C@@H](NCc1ccc(N(C)C)cc1)C(C)C ZINC000815131818 632967645 /nfs/dbraw/zinc/96/76/45/632967645.db2.gz MYGJHXMWYVICRI-HNNXBMFYSA-N 0 3 277.412 2.003 20 10 CECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)CCO1 ZINC000817415370 633653759 /nfs/dbraw/zinc/65/37/59/633653759.db2.gz RZPSGRJTMFGDDQ-NWDGAFQWSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccc(C)cc1[O-] ZINC000817584973 633701889 /nfs/dbraw/zinc/70/18/89/633701889.db2.gz BSTNKXQHABSDQR-ZDUSSCGKSA-N 0 3 276.380 2.397 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865100 633747004 /nfs/dbraw/zinc/74/70/04/633747004.db2.gz GWNBFVKLKMIYLM-UHFFFAOYSA-N 0 3 266.772 2.374 20 10 CECDHN C[NH2+]CCN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817952756 633797211 /nfs/dbraw/zinc/79/72/11/633797211.db2.gz MBOOJIPGOZLFPO-ZETCQYMHSA-N 0 3 291.164 2.164 20 10 CECDHN CNCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817952756 633797217 /nfs/dbraw/zinc/79/72/17/633797217.db2.gz MBOOJIPGOZLFPO-ZETCQYMHSA-N 0 3 291.164 2.164 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000903299189 635046134 /nfs/dbraw/zinc/04/61/34/635046134.db2.gz HIGAPYSIQGGLOT-PQFRYHKHSA-N 0 3 295.354 2.473 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000903343181 635071136 /nfs/dbraw/zinc/07/11/36/635071136.db2.gz NJCZFRCMHLGPMO-GXTWGEPZSA-N 0 3 296.386 2.293 20 10 CECDHN CCN1CCC[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391976 635088805 /nfs/dbraw/zinc/08/88/05/635088805.db2.gz KDVIAXXSSDKXAP-CZUORRHYSA-N 0 3 289.423 2.414 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000824564304 635452600 /nfs/dbraw/zinc/45/26/00/635452600.db2.gz IKGCEUZATPBFRM-ZBFHGGJFSA-N 0 3 292.423 2.280 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@@H](O)[C@H]2C)c1O ZINC000825104486 635570288 /nfs/dbraw/zinc/57/02/88/635570288.db2.gz YAIXXJGCVAEGSG-LDYMZIIASA-N 0 3 271.744 2.009 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130376 635576076 /nfs/dbraw/zinc/57/60/76/635576076.db2.gz WZTCQOIJUHSAMZ-SMDDNHRTSA-N 0 3 299.798 2.326 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@@H]2CCO[C@H]2C)c1[O-] ZINC000825130376 635576079 /nfs/dbraw/zinc/57/60/79/635576079.db2.gz WZTCQOIJUHSAMZ-SMDDNHRTSA-N 0 3 299.798 2.326 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c([O-])c1 ZINC000825338666 635620601 /nfs/dbraw/zinc/62/06/01/635620601.db2.gz SWDSQVAALZTBQJ-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c([O-])c1 ZINC000825338666 635620605 /nfs/dbraw/zinc/62/06/05/635620605.db2.gz SWDSQVAALZTBQJ-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000827284300 636279326 /nfs/dbraw/zinc/27/93/26/636279326.db2.gz UPENTPDTLGREIL-BBRMVZONSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000827284300 636279330 /nfs/dbraw/zinc/27/93/30/636279330.db2.gz UPENTPDTLGREIL-BBRMVZONSA-N 0 3 277.364 2.259 20 10 CECDHN CC(C)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000828327814 636571583 /nfs/dbraw/zinc/57/15/83/636571583.db2.gz SPSREEGVJDNQMU-CQSZACIVSA-N 0 3 274.364 2.107 20 10 CECDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000828491264 636609430 /nfs/dbraw/zinc/60/94/30/636609430.db2.gz XWYWDELAZHTDRN-QWRGUYRKSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000828491264 636609435 /nfs/dbraw/zinc/60/94/35/636609435.db2.gz XWYWDELAZHTDRN-QWRGUYRKSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000828595024 636637330 /nfs/dbraw/zinc/63/73/30/636637330.db2.gz FRGAFUWCNLUVGI-PWSUYJOCSA-N 0 3 282.409 2.256 20 10 CECDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)[C@H](C)C1 ZINC000828595024 636637333 /nfs/dbraw/zinc/63/73/33/636637333.db2.gz FRGAFUWCNLUVGI-PWSUYJOCSA-N 0 3 282.409 2.256 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(c2nncn2C)CC1 ZINC000876608200 650357387 /nfs/dbraw/zinc/35/73/87/650357387.db2.gz BSYDTPOGDJOATJ-UHFFFAOYSA-N 0 3 286.379 2.209 20 10 CECDHN C[N@@H+]1CCC[C@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832870503 637697160 /nfs/dbraw/zinc/69/71/60/637697160.db2.gz LZGCXRPZIPLMKF-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN C[N@H+]1CCC[C@]2(CCN(C(=O)c3cc([O-])cs3)C2)C1 ZINC000832870503 637697163 /nfs/dbraw/zinc/69/71/63/637697163.db2.gz LZGCXRPZIPLMKF-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN CN1CCC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000832870503 637697166 /nfs/dbraw/zinc/69/71/66/637697166.db2.gz LZGCXRPZIPLMKF-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN COC1CCN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834616753 637891396 /nfs/dbraw/zinc/89/13/96/637891396.db2.gz QPEAZFXAEGUZHH-OAHLLOKOSA-N 0 3 290.407 2.080 20 10 CECDHN CC[C@H]([NH2+]C(COC)COC)c1ccc(C)cc1[O-] ZINC000834890548 637978896 /nfs/dbraw/zinc/97/88/96/637978896.db2.gz LAAJTQMAKRFLKY-AWEZNQCLSA-N 0 3 267.369 2.403 20 10 CECDHN COCC(COC)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834894085 637980587 /nfs/dbraw/zinc/98/05/87/637980587.db2.gz YYJMFGCWXPDMHJ-JOYOIKCWSA-N 0 3 283.343 2.331 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(C)cc1[O-] ZINC000834903662 637983055 /nfs/dbraw/zinc/98/30/55/637983055.db2.gz KUYYWFFBYDSSNQ-MRXNPFEDSA-N 0 3 292.423 2.198 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834908865 637985120 /nfs/dbraw/zinc/98/51/20/637985120.db2.gz MJHMPXJNDGTMFB-WFASDCNBSA-N 0 3 262.353 2.102 20 10 CECDHN CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000834907813 637985152 /nfs/dbraw/zinc/98/51/52/637985152.db2.gz CVBYVDLLCXIJSM-CZUORRHYSA-N 0 3 276.380 2.410 20 10 CECDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H]2CCCCN12 ZINC000834911870 637986211 /nfs/dbraw/zinc/98/62/11/637986211.db2.gz BGJONJJSLUWRLF-MGPQQGTHSA-N 0 3 286.375 2.123 20 10 CECDHN CN(C)c1ccc(/C=C\CN(C)[C@@H]2CCOC2)cc1 ZINC000835029603 638030355 /nfs/dbraw/zinc/03/03/55/638030355.db2.gz XYSWOILLOKSPQD-YIEVGGLXSA-N 0 3 260.381 2.487 20 10 CECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876739623 650415193 /nfs/dbraw/zinc/41/51/93/650415193.db2.gz DQLMPTPWKIEOOR-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN Cn1ccnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000840887204 639573925 /nfs/dbraw/zinc/57/39/25/639573925.db2.gz HUPRXZLGUZRCDA-UHFFFAOYSA-N 0 3 290.342 2.008 20 10 CECDHN Cc1n[nH]c(CC[NH2+]Cc2c([O-])cc(C)cc2Cl)n1 ZINC000840908253 639580559 /nfs/dbraw/zinc/58/05/59/639580559.db2.gz QWVCMCLKCCKHHE-UHFFFAOYSA-N 0 3 280.759 2.113 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000840957849 639601063 /nfs/dbraw/zinc/60/10/63/639601063.db2.gz GKJPUTWIOZGMQQ-VHSXEESVSA-N 0 3 253.367 2.384 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000840977536 639607001 /nfs/dbraw/zinc/60/70/01/639607001.db2.gz ITGMYBZXFRAUDA-RYUDHWBXSA-N 0 3 265.353 2.042 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000840975161 639607102 /nfs/dbraw/zinc/60/71/02/639607102.db2.gz MBXBGVJKWMCUTR-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000840975161 639607103 /nfs/dbraw/zinc/60/71/03/639607103.db2.gz MBXBGVJKWMCUTR-INIZCTEOSA-N 0 3 293.363 2.176 20 10 CECDHN C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000841064424 639639299 /nfs/dbraw/zinc/63/92/99/639639299.db2.gz QGXHUGDSUQVUQS-SKDRFNHKSA-N 0 3 299.212 2.242 20 10 CECDHN CC1([NH2+]Cc2cccc(Cl)c2[O-])CCNCC1 ZINC000841063981 639639857 /nfs/dbraw/zinc/63/98/57/639639857.db2.gz DDVCDKIVUOMTFT-UHFFFAOYSA-N 0 3 254.761 2.277 20 10 CECDHN [NH3+]CC[C@H](NCc1c([O-])cccc1Cl)C(F)F ZINC000841074162 639645093 /nfs/dbraw/zinc/64/50/93/639645093.db2.gz MQIPKVYYMUMPKN-VIFPVBQESA-N 0 3 264.703 2.118 20 10 CECDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@]1(C)C[NH3+] ZINC000841090572 639652899 /nfs/dbraw/zinc/65/28/99/639652899.db2.gz LBWDTDYKRLAMSR-QMTHXVAHSA-N 0 3 268.788 2.462 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)c([O-])c1 ZINC000877046780 650546045 /nfs/dbraw/zinc/54/60/45/650546045.db2.gz SYDTXHWIUMBQKJ-INIZCTEOSA-N 0 3 290.407 2.437 20 10 CECDHN C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000843045890 640250937 /nfs/dbraw/zinc/25/09/37/640250937.db2.gz LMRPJZBWUYTYPX-GXFFZTMASA-N 0 3 252.333 2.233 20 10 CECDHN [O-]c1c(Cl)cccc1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000843120541 640289612 /nfs/dbraw/zinc/28/96/12/640289612.db2.gz PBAYYRJCZIBYTP-CQSZACIVSA-N 0 3 266.772 2.231 20 10 CECDHN CN(Cc1cccc(Br)c1[O-])C1(C[NH3+])CCC1 ZINC000843124842 640290150 /nfs/dbraw/zinc/29/01/50/640290150.db2.gz IYDPWHKVGHRZJX-UHFFFAOYSA-N 0 3 299.212 2.468 20 10 CECDHN C[N@H+](Cc1cccc(Br)c1[O-])C1(CN)CCC1 ZINC000843124842 640290161 /nfs/dbraw/zinc/29/01/61/640290161.db2.gz IYDPWHKVGHRZJX-UHFFFAOYSA-N 0 3 299.212 2.468 20 10 CECDHN C[N@@H+](Cc1cccc(Br)c1[O-])C1(CN)CCC1 ZINC000843124842 640290165 /nfs/dbraw/zinc/29/01/65/640290165.db2.gz IYDPWHKVGHRZJX-UHFFFAOYSA-N 0 3 299.212 2.468 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)c([O-])c1 ZINC000877095208 650569824 /nfs/dbraw/zinc/56/98/24/650569824.db2.gz PPRXNXLFSDBKMB-IUODEOHRSA-N 0 3 260.381 2.273 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1[O-] ZINC000843352903 640400251 /nfs/dbraw/zinc/40/02/51/640400251.db2.gz ZDHMVLPISRHTFY-KGLIPLIRSA-N 0 3 292.354 2.060 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914435590 640407087 /nfs/dbraw/zinc/40/70/87/640407087.db2.gz HSEDXUDQEZWFJI-OLZOCXBDSA-N 0 3 251.301 2.046 20 10 CECDHN CCC[N@H+](Cc1cccc(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000843423071 640424626 /nfs/dbraw/zinc/42/46/26/640424626.db2.gz VGTYMSCCMLGVKU-CQSZACIVSA-N 0 3 278.396 2.317 20 10 CECDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H]1CCN(C)C1 ZINC000843423071 640424628 /nfs/dbraw/zinc/42/46/28/640424628.db2.gz VGTYMSCCMLGVKU-CQSZACIVSA-N 0 3 278.396 2.317 20 10 CECDHN COCC[NH2+]C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000844901009 640860603 /nfs/dbraw/zinc/86/06/03/640860603.db2.gz TXEQXMIUCAVFHF-UHFFFAOYSA-N 0 3 298.814 2.246 20 10 CECDHN COc1cccc([C@H](C)NCc2n[nH]c(C(C)C)n2)c1O ZINC000846170272 641211716 /nfs/dbraw/zinc/21/17/16/641211716.db2.gz NFPANZZHBQDHFW-JTQLQIEISA-N 0 3 290.367 2.493 20 10 CECDHN C[NH+]1CCC2(CCCN(C(=O)c3cc([O-])cs3)C2)CC1 ZINC000847099684 641568707 /nfs/dbraw/zinc/56/87/07/641568707.db2.gz ZSDBPXMMVJKAGN-UHFFFAOYSA-N 0 3 294.420 2.402 20 10 CECDHN C[C@H]([NH2+]CCC1(C)OCCO1)c1cc(F)ccc1[O-] ZINC000183904760 641812629 /nfs/dbraw/zinc/81/26/29/641812629.db2.gz PNWHOXFZADLMOY-JTQLQIEISA-N 0 3 269.316 2.335 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185330140 641966252 /nfs/dbraw/zinc/96/62/52/641966252.db2.gz PZZLYERLCPPSJP-HUUCEWRRSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c([O-])c1 ZINC000185777986 642028683 /nfs/dbraw/zinc/02/86/83/642028683.db2.gz VTLQAJOYQAJSDL-CZUORRHYSA-N 0 3 279.380 2.140 20 10 CECDHN CCc1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000848888237 642173782 /nfs/dbraw/zinc/17/37/82/642173782.db2.gz PMBRBWBQUVWEGL-ZDUSSCGKSA-N 0 3 289.297 2.454 20 10 CECDHN CCc1cccc(CN2CC[C@@H](C)C[C@@H]2C(N)=O)c1O ZINC000848904261 642181128 /nfs/dbraw/zinc/18/11/28/642181128.db2.gz OSBXTBHFYIUPQA-BXUZGUMPSA-N 0 3 276.380 2.040 20 10 CECDHN C[C@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000848919391 642191832 /nfs/dbraw/zinc/19/18/32/642191832.db2.gz KHFYGQDKJAMMIR-ZFWWWQNUSA-N 0 3 290.407 2.296 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877515722 650760859 /nfs/dbraw/zinc/76/08/59/650760859.db2.gz NPNWFPUACIITJH-UHFFFAOYSA-N 0 3 265.353 2.380 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000850409072 642703866 /nfs/dbraw/zinc/70/38/66/642703866.db2.gz JPCFJLSGEFTJJG-NSHDSACASA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](O)C(F)F ZINC000877561175 650789399 /nfs/dbraw/zinc/78/93/99/650789399.db2.gz IICOKYDCMGLCEL-CMPLNLGQSA-N 0 3 259.296 2.195 20 10 CECDHN Cc1ccc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c([O-])c1 ZINC000877553605 650784042 /nfs/dbraw/zinc/78/40/42/650784042.db2.gz AUHBTSYNTCHHAL-SJORKVTESA-N 0 3 291.391 2.110 20 10 CECDHN C[N@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1[O-] ZINC000851841886 643187361 /nfs/dbraw/zinc/18/73/61/643187361.db2.gz ZBPZSPBRXKOPSQ-CYBMUJFWSA-N 0 3 265.353 2.366 20 10 CECDHN C[N@@H+](CC[C@@H]1COC(C)(C)O1)Cc1ccccc1[O-] ZINC000851841886 643187366 /nfs/dbraw/zinc/18/73/66/643187366.db2.gz ZBPZSPBRXKOPSQ-CYBMUJFWSA-N 0 3 265.353 2.366 20 10 CECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000877666942 650841729 /nfs/dbraw/zinc/84/17/29/650841729.db2.gz QEHSBIXPSPITAZ-BONVTDFDSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000877666942 650841732 /nfs/dbraw/zinc/84/17/32/650841732.db2.gz QEHSBIXPSPITAZ-BONVTDFDSA-N 0 3 281.327 2.162 20 10 CECDHN COc1cc(O)c(CNCc2ccnc(F)c2)cc1OC ZINC000877698715 650856330 /nfs/dbraw/zinc/85/63/30/650856330.db2.gz WPQIEZDVPXRVHW-UHFFFAOYSA-N 0 3 292.310 2.233 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000877700897 650858499 /nfs/dbraw/zinc/85/84/99/650858499.db2.gz GXROEVQMUBNUGT-RYUDHWBXSA-N 0 3 255.745 2.357 20 10 CECDHN C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[N@@H+](C2CCC2)C1 ZINC000854602797 644105898 /nfs/dbraw/zinc/10/58/98/644105898.db2.gz MFQMTWMJAOWRCW-LLVKDONJSA-N 0 3 294.420 2.400 20 10 CECDHN C[C@H]1CN(C(=O)c2cc([O-])cs2)CC[N@H+](C2CCC2)C1 ZINC000854602797 644105902 /nfs/dbraw/zinc/10/59/02/644105902.db2.gz MFQMTWMJAOWRCW-LLVKDONJSA-N 0 3 294.420 2.400 20 10 CECDHN COc1ccc(O)c(CN2CC3(CC(F)C3)C2)c1 ZINC000839139033 644171171 /nfs/dbraw/zinc/17/11/71/644171171.db2.gz BHUATMWMJLNYIS-UHFFFAOYSA-N 0 3 251.301 2.335 20 10 CECDHN COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])n1C ZINC000877755425 650898886 /nfs/dbraw/zinc/89/88/86/650898886.db2.gz AWNHIFNYQXOMNE-LLVKDONJSA-N 0 3 288.347 2.368 20 10 CECDHN COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccccc2[O-])n1C ZINC000877757962 650900210 /nfs/dbraw/zinc/90/02/10/650900210.db2.gz AWNHIFNYQXOMNE-NSHDSACASA-N 0 3 288.347 2.368 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000756372211 644637376 /nfs/dbraw/zinc/63/73/76/644637376.db2.gz PJHWJMILHSPFJP-SKDRFNHKSA-N 0 3 292.354 2.195 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOC[C@@H]2C)c([O-])c1 ZINC000756533050 644659873 /nfs/dbraw/zinc/65/98/73/644659873.db2.gz HOOHVXKISUMQMM-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756733920 644687449 /nfs/dbraw/zinc/68/74/49/644687449.db2.gz RSQNCZFZQCQEGT-QWHCGFSZSA-N 0 3 267.369 2.403 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccc(C)cc1[O-] ZINC000857084526 644813206 /nfs/dbraw/zinc/81/32/06/644813206.db2.gz UQAJKLREQJJUKF-HIFRSBDPSA-N 0 3 276.380 2.362 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2CCCOC2)cc1F ZINC000858128114 645069960 /nfs/dbraw/zinc/06/99/60/645069960.db2.gz BGOUCZDCBGTNKK-LLVKDONJSA-N 0 3 270.323 2.299 20 10 CECDHN CC[C@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858131353 645070076 /nfs/dbraw/zinc/07/00/76/645070076.db2.gz SDHFBMUXQXDAES-AWEZNQCLSA-N 0 3 272.339 2.281 20 10 CECDHN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](C)O ZINC000858172405 645080658 /nfs/dbraw/zinc/08/06/58/645080658.db2.gz SYYYNJAFVHJIQW-NOZJJQNGSA-N 0 3 272.339 2.280 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCN(C)C2=O)cc1 ZINC000766437531 645886417 /nfs/dbraw/zinc/88/64/17/645886417.db2.gz PAZXPFKBNLCGHK-BBRMVZONSA-N 0 3 289.423 2.414 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(OC)CC2)c([O-])c1 ZINC000768215298 646098181 /nfs/dbraw/zinc/09/81/81/646098181.db2.gz CGBLYVBWGZDSKY-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC000768244421 646101084 /nfs/dbraw/zinc/10/10/84/646101084.db2.gz KUHGHXPYQXVFDQ-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000768249267 646101297 /nfs/dbraw/zinc/10/12/97/646101297.db2.gz PIZISMGKHIRMPH-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000768249267 646101299 /nfs/dbraw/zinc/10/12/99/646101299.db2.gz PIZISMGKHIRMPH-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441716 646122708 /nfs/dbraw/zinc/12/27/08/646122708.db2.gz GPDILEMOADUJQJ-ZFWWWQNUSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441716 646122713 /nfs/dbraw/zinc/12/27/13/646122713.db2.gz GPDILEMOADUJQJ-ZFWWWQNUSA-N 0 3 277.364 2.438 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768442046 646122723 /nfs/dbraw/zinc/12/27/23/646122723.db2.gz NZQYPLIFIQUPPN-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCCC1 ZINC000768442046 646122726 /nfs/dbraw/zinc/12/27/26/646122726.db2.gz NZQYPLIFIQUPPN-CQSZACIVSA-N 0 3 263.337 2.192 20 10 CECDHN C[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462157 646126677 /nfs/dbraw/zinc/12/66/77/646126677.db2.gz KFPMGVCROBLNJH-CQSZACIVSA-N 0 3 263.337 2.050 20 10 CECDHN C[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768462157 646126678 /nfs/dbraw/zinc/12/66/78/646126678.db2.gz KFPMGVCROBLNJH-CQSZACIVSA-N 0 3 263.337 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1C[C@@H]3CCCC[C@H]3C1)[C@H](O)CO2 ZINC000768465247 646127638 /nfs/dbraw/zinc/12/76/38/646127638.db2.gz YQQMPBBACLSBMJ-MQIPJXDCSA-N 0 3 289.375 2.440 20 10 CECDHN CC1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465628 646127814 /nfs/dbraw/zinc/12/78/14/646127814.db2.gz JNUHLGVUQQMBGD-ZDUSSCGKSA-N 0 3 263.337 2.050 20 10 CECDHN CC1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768465628 646127816 /nfs/dbraw/zinc/12/78/16/646127816.db2.gz JNUHLGVUQQMBGD-ZDUSSCGKSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](OC)C1 ZINC000768755169 646159061 /nfs/dbraw/zinc/15/90/61/646159061.db2.gz VXQBCIQCPUVDPV-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OC)C1 ZINC000768755169 646159063 /nfs/dbraw/zinc/15/90/63/646159063.db2.gz VXQBCIQCPUVDPV-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+](CCO)[C@H](C)CC)c([O-])c1 ZINC000862388033 646431265 /nfs/dbraw/zinc/43/12/65/646431265.db2.gz UVXYNTQOKDNNAL-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](CCO)[C@H](C)CC)c([O-])c1 ZINC000862388033 646431270 /nfs/dbraw/zinc/43/12/70/646431270.db2.gz UVXYNTQOKDNNAL-GFCCVEGCSA-N 0 3 267.369 2.384 20 10 CECDHN CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)ccc1[O-] ZINC000863483859 646739771 /nfs/dbraw/zinc/73/97/71/646739771.db2.gz QJZGMYPCDHKJAR-NWDGAFQWSA-N 0 3 299.212 2.385 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775501297 646960639 /nfs/dbraw/zinc/96/06/39/646960639.db2.gz GCMIVIQYMFUXGC-AAEUAGOBSA-N 0 3 286.803 2.009 20 10 CECDHN CC[C@@H]([NH2+]CCNc1cnccn1)c1ccccc1[O-] ZINC000775512686 646961411 /nfs/dbraw/zinc/96/14/11/646961411.db2.gz AGPKWECVUBTMNZ-CYBMUJFWSA-N 0 3 272.352 2.335 20 10 CECDHN CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000775551293 646965117 /nfs/dbraw/zinc/96/51/17/646965117.db2.gz LZNMFBUBJPAWQW-GJZGRUSLSA-N 0 3 279.380 2.220 20 10 CECDHN CN(C)c1ccc(CN(C)Cc2ccccc2O)cn1 ZINC000120070092 647018822 /nfs/dbraw/zinc/01/88/22/647018822.db2.gz XTCFTZIYXBJAFA-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN C[C@@H](NC(=O)N(C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776245946 647040947 /nfs/dbraw/zinc/04/09/47/647040947.db2.gz IPNRRSBUYFAFQQ-CYBMUJFWSA-N 0 3 292.427 2.017 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000778216194 647211849 /nfs/dbraw/zinc/21/18/49/647211849.db2.gz KDVLONQKLHPRFG-SWLSCSKDSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc(O)c1CN[C@@H]1C[C@H]1C(F)(F)F ZINC000865754199 647452423 /nfs/dbraw/zinc/45/24/23/647452423.db2.gz UHUSGZKBMQXOKU-RKDXNWHRSA-N 0 3 261.243 2.441 20 10 CECDHN CN1CCN(c2ccc(CN3CCC=C(F)C3)cc2)CC1 ZINC000780895518 647478205 /nfs/dbraw/zinc/47/82/05/647478205.db2.gz WUNOJCDVBKVMOP-UHFFFAOYSA-N 0 3 289.398 2.498 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](C)c2ccnn2C)c1 ZINC000865838996 647485954 /nfs/dbraw/zinc/48/59/54/647485954.db2.gz GAZMAONVWFUCGM-NSHDSACASA-N 0 3 275.352 2.375 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)C[C@H](C)O)c([O-])c1 ZINC000782977134 647667706 /nfs/dbraw/zinc/66/77/06/647667706.db2.gz BYRIHBZSDVLKOB-MNOVXSKESA-N 0 3 253.342 2.040 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000783507884 647723283 /nfs/dbraw/zinc/72/32/83/647723283.db2.gz CAIDFDZUUADXNL-CHWSQXEVSA-N 0 3 265.353 2.096 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)c1[O-] ZINC000866721379 647882008 /nfs/dbraw/zinc/88/20/08/647882008.db2.gz VRLWDTSXWVHHDY-GJZGRUSLSA-N 0 3 292.354 2.060 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCO[C@@H]2C)c2c1c(F)ccc2[O-] ZINC000788623265 648209032 /nfs/dbraw/zinc/20/90/32/648209032.db2.gz KNKPCVNYBWEDPA-ZEQKQHQNSA-N 0 3 295.354 2.209 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([O-])c1 ZINC000788971053 648239728 /nfs/dbraw/zinc/23/97/28/648239728.db2.gz ANOFTWQARCLTTG-AAEUAGOBSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2(CC(N)=O)CCC2)c1[O-] ZINC000789555118 648316459 /nfs/dbraw/zinc/31/64/59/648316459.db2.gz SEWNIFQRGITWJZ-UHFFFAOYSA-N 0 3 282.771 2.242 20 10 CECDHN C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000790477315 648420998 /nfs/dbraw/zinc/42/09/98/648420998.db2.gz JILOWLYIWHWMBC-HZMBPMFUSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000790477315 648421000 /nfs/dbraw/zinc/42/10/00/648421000.db2.gz JILOWLYIWHWMBC-HZMBPMFUSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000790743702 648443642 /nfs/dbraw/zinc/44/36/42/648443642.db2.gz YHBUYEVPZBZECC-WCABBAIRSA-N 0 3 280.343 2.146 20 10 CECDHN CN(Cc1ccc(N2CCOCC2)cc1)CC1(F)CC1 ZINC000792773810 648673695 /nfs/dbraw/zinc/67/36/95/648673695.db2.gz KYORVLWEIIWFHZ-UHFFFAOYSA-N 0 3 278.371 2.457 20 10 CECDHN COC(=O)C(C)(C)CC[N@H+](C)Cc1ccccc1[O-] ZINC000792787855 648674988 /nfs/dbraw/zinc/67/49/88/648674988.db2.gz ITGAUOBOWCQWJH-UHFFFAOYSA-N 0 3 265.353 2.413 20 10 CECDHN COC(=O)C(C)(C)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000792787855 648674990 /nfs/dbraw/zinc/67/49/90/648674990.db2.gz ITGAUOBOWCQWJH-UHFFFAOYSA-N 0 3 265.353 2.413 20 10 CECDHN CN(C)c1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1 ZINC000793397502 648750365 /nfs/dbraw/zinc/75/03/65/648750365.db2.gz YPIIWSRZGJSKFV-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN O=C1OCC[C@H]1CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000872111729 649281241 /nfs/dbraw/zinc/28/12/41/649281241.db2.gz GDWXRHZJCYWRCJ-OLZOCXBDSA-N 0 3 275.348 2.312 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c(Cl)c1 ZINC000873217119 649594134 /nfs/dbraw/zinc/59/41/34/649594134.db2.gz WVZMYPBNIQJXHI-PHIMTYICSA-N 0 3 266.772 2.290 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000020120800 649727793 /nfs/dbraw/zinc/72/77/93/649727793.db2.gz RNOVYQLXOLFWBM-UHFFFAOYSA-N 0 3 271.316 2.453 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccccc1[O-] ZINC000879650355 651335583 /nfs/dbraw/zinc/33/55/83/651335583.db2.gz WOKPIVNGZWZQCT-QWHCGFSZSA-N 0 3 279.380 2.099 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccccc1[O-] ZINC000879650135 651335610 /nfs/dbraw/zinc/33/56/10/651335610.db2.gz KNPRPHJNICEIRE-LLVKDONJSA-N 0 3 264.369 2.205 20 10 CECDHN CC[C@@H]([NH2+]CC[S@](=O)CC)c1ccccc1[O-] ZINC000132530110 652530445 /nfs/dbraw/zinc/53/04/45/652530445.db2.gz VTYKOFMQFDILNV-PXAZEXFGSA-N 0 3 255.383 2.202 20 10 CECDHN COCCCN1CCN(c2ccc(OC)cc2C)CC1 ZINC001209055330 802464891 /nfs/dbraw/zinc/46/48/91/802464891.db2.gz VWWZLGBQYOZRHN-UHFFFAOYSA-N 0 3 278.396 2.162 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@@H]3CCCO[C@H]3C2)c1 ZINC001141156082 803758432 /nfs/dbraw/zinc/75/84/32/803758432.db2.gz DTYRSXAKUVHVPP-NHYWBVRUSA-N 0 3 263.337 2.099 20 10 CECDHN CC[C@H]([NH2+]CCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000692842332 804136180 /nfs/dbraw/zinc/13/61/80/804136180.db2.gz NNLSBBDMBVDXCF-ZDUSSCGKSA-N 0 3 285.409 2.258 20 10 CECDHN C[C@H](O)CCCNCc1cc(F)c(N(C)C)cc1F ZINC001118804513 815046126 /nfs/dbraw/zinc/04/61/26/815046126.db2.gz MJBFTGNCMNFQSC-JTQLQIEISA-N 0 3 272.339 2.281 20 10 CECDHN [O-]c1cc(O)c(CN2CCC([NH+]3CCC3)CC2)cc1Cl ZINC001232263630 807237855 /nfs/dbraw/zinc/23/78/55/807237855.db2.gz BYJXHJDEICTZLE-UHFFFAOYSA-N 0 3 296.798 2.421 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2COC[C@@H]2C)c1[O-] ZINC000699846507 807877335 /nfs/dbraw/zinc/87/73/35/807877335.db2.gz IQEGEMYVMBSZSY-KWQFWETISA-N 0 3 271.744 2.179 20 10 CECDHN CCCC[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC001236137387 807993809 /nfs/dbraw/zinc/99/38/09/807993809.db2.gz AZTTZNHGKIKXSE-CQSZACIVSA-N 0 3 266.360 2.495 20 10 CECDHN CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203555913 808697260 /nfs/dbraw/zinc/69/72/60/808697260.db2.gz JYJXXBSJPWCXRB-KRWDZBQOSA-N 0 3 288.391 2.369 20 10 CECDHN CC(=O)N1CCCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203555913 808697263 /nfs/dbraw/zinc/69/72/63/808697263.db2.gz JYJXXBSJPWCXRB-KRWDZBQOSA-N 0 3 288.391 2.369 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1[O-] ZINC001172164513 815326444 /nfs/dbraw/zinc/32/64/44/815326444.db2.gz BIDDXRQBMDGASI-YNEHKIRRSA-N 0 3 274.364 2.196 20 10 CECDHN C[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1[O-])N(C)C ZINC000708514886 809943815 /nfs/dbraw/zinc/94/38/15/809943815.db2.gz MTBGHKZOJSMKRV-VIFPVBQESA-N 0 3 258.312 2.100 20 10 CECDHN [NH3+][C@H](CC1CCCCC1)C(=O)NCc1c([O-])cccc1F ZINC001122258117 815396814 /nfs/dbraw/zinc/39/68/14/815396814.db2.gz LMTJJQNZQOJFPQ-CQSZACIVSA-N 0 3 294.370 2.445 20 10 CECDHN C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC001122258412 815397436 /nfs/dbraw/zinc/39/74/36/815397436.db2.gz UXSDNVBNRRQUDP-LBPRGKRZSA-N 0 3 282.359 2.172 20 10 CECDHN CCOC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])CC1 ZINC001169645414 811603188 /nfs/dbraw/zinc/60/31/88/811603188.db2.gz OGCTWRLIPWUWIZ-CQSZACIVSA-N 0 3 292.379 2.493 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389172946 813248519 /nfs/dbraw/zinc/24/85/19/813248519.db2.gz LOCLEEBPWONXNI-STQMWFEESA-N 0 3 265.353 2.021 20 10 CECDHN CCCN1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000389205086 813249448 /nfs/dbraw/zinc/24/94/48/813249448.db2.gz ATUONIACFVAWCX-KGLIPLIRSA-N 0 3 260.381 2.453 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CSC[C@@H]2C)c([O-])c1 ZINC000397913091 813645511 /nfs/dbraw/zinc/64/55/11/813645511.db2.gz ZEJUJFLNBOYMCW-CABZTGNLSA-N 0 3 253.367 2.242 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000397975952 813650248 /nfs/dbraw/zinc/65/02/48/813650248.db2.gz OSLICDPMZHBWNY-GXSJLCMTSA-N 0 3 253.367 2.384 20 10 CECDHN [NH3+][C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC001206117792 814022997 /nfs/dbraw/zinc/02/29/97/814022997.db2.gz WQNKOCDRYWGOBF-JTQLQIEISA-N 0 3 276.714 2.214 20 10 CECDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173142726 815601449 /nfs/dbraw/zinc/60/14/49/815601449.db2.gz WCNDDGNLENSQFX-JTQLQIEISA-N 0 3 276.361 2.201 20 10 CECDHN CCC[NH+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@@H]2C1 ZINC001137840403 815695728 /nfs/dbraw/zinc/69/57/28/815695728.db2.gz ZJJXQPNARCSLPU-STQMWFEESA-N 0 3 278.371 2.305 20 10 CECDHN CC[NH+](CC)C[C@@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140055942 816179881 /nfs/dbraw/zinc/17/98/81/816179881.db2.gz BEDPIVARYQATHS-OAHLLOKOSA-N 0 3 296.386 2.074 20 10 CECDHN CCO[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140062712 816183232 /nfs/dbraw/zinc/18/32/32/816183232.db2.gz DZFQHNCUKHIMFA-BMFZPTHFSA-N 0 3 295.354 2.300 20 10 CECDHN CCO[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140062712 816183238 /nfs/dbraw/zinc/18/32/38/816183238.db2.gz DZFQHNCUKHIMFA-BMFZPTHFSA-N 0 3 295.354 2.300 20 10 CECDHN Cc1ccc(C)c(CN2C[C@H](F)C[C@@H](CO)C2)c1O ZINC001140178545 816204117 /nfs/dbraw/zinc/20/41/17/816204117.db2.gz OALMPUGQIAVFSH-CHWSQXEVSA-N 0 3 267.344 2.161 20 10 CECDHN CN(C)c1ccc(CN2CC[C@@](C)(O)C2)c(Cl)c1 ZINC001140922300 816411279 /nfs/dbraw/zinc/41/12/79/816411279.db2.gz NILLNYUDFUUETJ-CQSZACIVSA-N 0 3 268.788 2.363 20 10 CECDHN CC[N@H+](CCCC(=O)OC)Cc1ccc(C)cc1[O-] ZINC001140947985 816422677 /nfs/dbraw/zinc/42/26/77/816422677.db2.gz OJLUEJFJSGWADF-UHFFFAOYSA-N 0 3 265.353 2.476 20 10 CECDHN CC[N@@H+](CCCC(=O)OC)Cc1ccc(C)cc1[O-] ZINC001140947985 816422678 /nfs/dbraw/zinc/42/26/78/816422678.db2.gz OJLUEJFJSGWADF-UHFFFAOYSA-N 0 3 265.353 2.476 20 10 CECDHN CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001140954518 816424066 /nfs/dbraw/zinc/42/40/66/816424066.db2.gz VKQKVVNGFUMNFY-OAHLLOKOSA-N 0 3 276.380 2.143 20 10 CECDHN CC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC001140954518 816424070 /nfs/dbraw/zinc/42/40/70/816424070.db2.gz VKQKVVNGFUMNFY-OAHLLOKOSA-N 0 3 276.380 2.143 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(OC)c1 ZINC001141031142 816450438 /nfs/dbraw/zinc/45/04/38/816450438.db2.gz YDAJPPCQOAQIAH-GXFFZTMASA-N 0 3 263.337 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]3C[C@H]32)c(OC)c1 ZINC001141031142 816450439 /nfs/dbraw/zinc/45/04/39/816450439.db2.gz YDAJPPCQOAQIAH-GXFFZTMASA-N 0 3 263.337 2.394 20 10 CECDHN CN1CCN(Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074710 816469695 /nfs/dbraw/zinc/46/96/95/816469695.db2.gz RRWNUUCEBASVCQ-UHFFFAOYSA-N 0 3 285.435 2.133 20 10 CECDHN C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)C[C@H](C)N1C ZINC001141144276 816485856 /nfs/dbraw/zinc/48/58/56/816485856.db2.gz YFUDSAWSKKKSDU-OKILXGFUSA-N 0 3 289.423 2.040 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCOC2)c1 ZINC000037738141 361925501 /nfs/dbraw/zinc/92/55/01/361925501.db2.gz FYEHUCFLVKLYDN-WDEREUQCSA-N 0 3 251.326 2.088 20 10 CECDHN O=C1CC[N@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCN1 ZINC000093101613 344214239 /nfs/dbraw/zinc/21/42/39/344214239.db2.gz XIXDUEAMSHOBGC-UHFFFAOYSA-N 0 3 296.370 2.381 20 10 CECDHN O=C1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2[O-])CCN1 ZINC000093101613 344214241 /nfs/dbraw/zinc/21/42/41/344214241.db2.gz XIXDUEAMSHOBGC-UHFFFAOYSA-N 0 3 296.370 2.381 20 10 CECDHN COc1cccc(CN2CCc3ccccc3[C@H]2CO)c1O ZINC000093455543 344223621 /nfs/dbraw/zinc/22/36/21/344223621.db2.gz FHAHNBNRNVYECZ-MRXNPFEDSA-N 0 3 299.370 2.493 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCCN(C)C)c1[O-] ZINC000076274275 363533037 /nfs/dbraw/zinc/53/30/37/363533037.db2.gz GMRWYLKIPYDRMZ-UHFFFAOYSA-N 0 3 272.776 2.096 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000089636719 363986455 /nfs/dbraw/zinc/98/64/55/363986455.db2.gz OSRWJNDJKVYKHV-QWHCGFSZSA-N 0 3 298.452 2.226 20 10 CECDHN CN(C)c1ccc(CN2CCC(n3cncn3)CC2)cc1 ZINC000092647526 364093089 /nfs/dbraw/zinc/09/30/89/364093089.db2.gz QLMVWPISZPFQIT-UHFFFAOYSA-N 0 3 285.395 2.181 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCCCNC1=O ZINC000120201452 365389178 /nfs/dbraw/zinc/38/91/78/365389178.db2.gz AZMYBAAWOVZAKN-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCCNC1=O ZINC000120201452 365389181 /nfs/dbraw/zinc/38/91/81/365389181.db2.gz AZMYBAAWOVZAKN-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CCOC(=O)N[C@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000179691924 368348789 /nfs/dbraw/zinc/34/87/89/368348789.db2.gz GUFJJHAILZHUBJ-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN Cc1cc(O)c(CN(C)[C@@H](C)C[S@](C)=O)cc1C ZINC000187834537 369233979 /nfs/dbraw/zinc/23/39/79/369233979.db2.gz KBHPJRDWIARFGC-SGTLLEGYSA-N 0 3 269.410 2.208 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H](C)C(=O)N(C)CC)c([O-])c1 ZINC000188894612 369424981 /nfs/dbraw/zinc/42/49/81/369424981.db2.gz WIKCEYNBKYJJIF-LBPRGKRZSA-N 0 3 294.395 2.137 20 10 CECDHN C[C@H]([NH2+]CC1(C)OCCCO1)c1ccccc1[O-] ZINC000190668288 369643336 /nfs/dbraw/zinc/64/33/36/369643336.db2.gz DRKWZBAHRUZKIP-NSHDSACASA-N 0 3 251.326 2.196 20 10 CECDHN CC(C)[NH+](CCCNC(=O)c1cccc(O)c1[O-])C(C)C ZINC000193118117 369895623 /nfs/dbraw/zinc/89/56/23/369895623.db2.gz LOMUHKXGBMEMMR-UHFFFAOYSA-N 0 3 294.395 2.337 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000228091064 370397383 /nfs/dbraw/zinc/39/73/83/370397383.db2.gz JMVFAHZRTRRWIM-SECBINFHSA-N 0 3 273.760 2.305 20 10 CECDHN CCNC(=O)[C@H](C)N[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000268709160 372188292 /nfs/dbraw/zinc/18/82/92/372188292.db2.gz FUEDKQBBZUJGPD-WFASDCNBSA-N 0 3 277.412 2.318 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H](CCO)COC)cc1 ZINC000268995709 372308765 /nfs/dbraw/zinc/30/87/65/372308765.db2.gz IHPWXTVHGRSLDK-DZGCQCFKSA-N 0 3 280.412 2.191 20 10 CECDHN CCOc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1[O-] ZINC000365559358 372892478 /nfs/dbraw/zinc/89/24/78/372892478.db2.gz HZZPZXVOAAATSP-ZDUSSCGKSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1[O-] ZINC000365559357 372892568 /nfs/dbraw/zinc/89/25/68/372892568.db2.gz HZZPZXVOAAATSP-CYBMUJFWSA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2nc(C)no2)c1 ZINC000271854018 373204109 /nfs/dbraw/zinc/20/41/09/373204109.db2.gz RYVTVDMWHDDTNG-JTQLQIEISA-N 0 3 291.351 2.376 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CC2(C)C)cc1OC ZINC000272082939 373296862 /nfs/dbraw/zinc/29/68/62/373296862.db2.gz LSVDJUOHERAICG-CYBMUJFWSA-N 0 3 251.326 2.298 20 10 CECDHN CCC[C@](C)(N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000272463739 373497811 /nfs/dbraw/zinc/49/78/11/373497811.db2.gz OXHJJRUFILMHRH-KRWDZBQOSA-N 0 3 290.407 2.405 20 10 CECDHN Cc1cnn(C)c1CNCc1ccc2c(c1)CCN2C ZINC000370579645 373687826 /nfs/dbraw/zinc/68/78/26/373687826.db2.gz MDVJVVQXYKPDNP-UHFFFAOYSA-N 0 3 270.380 2.011 20 10 CECDHN COC(=O)[C@@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273807513 373772678 /nfs/dbraw/zinc/77/26/78/373772678.db2.gz YIAJQHFCXHABOJ-SECBINFHSA-N 0 3 299.754 2.049 20 10 CECDHN CCNC(=O)[C@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000273414873 373755718 /nfs/dbraw/zinc/75/57/18/373755718.db2.gz QPWVFEVMCXYDGC-NEPJUHHUSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273484350 373759327 /nfs/dbraw/zinc/75/93/27/373759327.db2.gz MXTAEFJRLUWPNH-WBMJQRKESA-N 0 3 279.380 2.139 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1C ZINC000273477856 373760720 /nfs/dbraw/zinc/76/07/20/373760720.db2.gz LHJGMRGMVQXSCB-LLVKDONJSA-N 0 3 264.369 2.171 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000273591845 373767286 /nfs/dbraw/zinc/76/72/86/373767286.db2.gz PHWHMQNXXGPYBX-WFASDCNBSA-N 0 3 293.407 2.319 20 10 CECDHN C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccccc1[O-] ZINC000281125102 375356508 /nfs/dbraw/zinc/35/65/08/375356508.db2.gz SOPYOABRXSYZAR-ZMZPIMSZSA-N 0 3 267.394 2.344 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)C(=O)NCCF)cc1 ZINC000282639897 375536354 /nfs/dbraw/zinc/53/63/54/375536354.db2.gz KHMFTCNLIDWCIZ-ZDUSSCGKSA-N 0 3 295.402 2.097 20 10 CECDHN CCCC[N@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000282547330 375514515 /nfs/dbraw/zinc/51/45/15/375514515.db2.gz WRHBQOSBPBOSTO-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCCC[N@@H+](CCC(=O)N(C)C)Cc1ccccc1[O-] ZINC000282547330 375514522 /nfs/dbraw/zinc/51/45/22/375514522.db2.gz WRHBQOSBPBOSTO-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCC(CC)(CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000283082624 375650744 /nfs/dbraw/zinc/65/07/44/375650744.db2.gz VTGNEOTXWBNAQJ-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000284142252 375817093 /nfs/dbraw/zinc/81/70/93/375817093.db2.gz OUXQRIKYEVZOCE-CHWSQXEVSA-N 0 3 276.380 2.280 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCO[C@@H]1c1cccnc1 ZINC000285265657 375838277 /nfs/dbraw/zinc/83/82/77/375838277.db2.gz ZXBURIVPUVMEAK-GOEBONIOSA-N 0 3 270.332 2.407 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCS(=O)(=O)C2)c([O-])c1 ZINC000285264141 375838286 /nfs/dbraw/zinc/83/82/86/375838286.db2.gz QNKXFPNULKXHIP-CHWSQXEVSA-N 0 3 297.420 2.094 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](CC)OC)c1[O-] ZINC000289885354 376545735 /nfs/dbraw/zinc/54/57/35/376545735.db2.gz SETJISXAFHOWGL-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H](CO)C2)c1[O-] ZINC000295112453 378041437 /nfs/dbraw/zinc/04/14/37/378041437.db2.gz VGSOGLDBISVCGD-SKDRFNHKSA-N 0 3 285.771 2.305 20 10 CECDHN CCN1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000295928554 378358429 /nfs/dbraw/zinc/35/84/29/378358429.db2.gz KBDRDXVWLSPIBH-GXTWGEPZSA-N 0 3 260.381 2.311 20 10 CECDHN Cc1ccc(O)c(CN2CC[C@@](O)(C(F)(F)F)C2)c1 ZINC000093612118 394668494 /nfs/dbraw/zinc/66/84/94/394668494.db2.gz LYLKOBVKXLAHRB-LBPRGKRZSA-N 0 3 275.270 2.200 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000093813971 394668596 /nfs/dbraw/zinc/66/85/96/394668596.db2.gz JWGYHKALADFLAM-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c1 ZINC000093813971 394668598 /nfs/dbraw/zinc/66/85/98/394668598.db2.gz JWGYHKALADFLAM-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CCN(CCCO)Cc1ccc(N(C)C)c(F)c1 ZINC000271190654 394750079 /nfs/dbraw/zinc/75/00/79/394750079.db2.gz LNUHNYNONOYYFI-UHFFFAOYSA-N 0 3 254.349 2.096 20 10 CECDHN CCCC[N@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000282573348 394921163 /nfs/dbraw/zinc/92/11/63/394921163.db2.gz ZWBOFYZWNAEYQX-UHFFFAOYSA-N 0 3 274.368 2.286 20 10 CECDHN CCCC[N@@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000282573348 394921165 /nfs/dbraw/zinc/92/11/65/394921165.db2.gz ZWBOFYZWNAEYQX-UHFFFAOYSA-N 0 3 274.368 2.286 20 10 CECDHN CCCOc1ccc(C[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000288492841 395061296 /nfs/dbraw/zinc/06/12/96/395061296.db2.gz RAXLFEJZNXUFFD-UHFFFAOYSA-N 0 3 297.395 2.058 20 10 CECDHN CN(C)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1 ZINC000376020727 395106964 /nfs/dbraw/zinc/10/69/64/395106964.db2.gz HMUYWBIECODUMY-CQSZACIVSA-N 0 3 260.381 2.221 20 10 CECDHN CCOCc1cc(CNC2(CO)CCC2)ccc1OC ZINC000178637277 395171100 /nfs/dbraw/zinc/17/11/00/395171100.db2.gz CISJDVRYTOMQSF-UHFFFAOYSA-N 0 3 279.380 2.236 20 10 CECDHN CCOc1cccc(CN2CC[C@H]2COC)c1O ZINC000293542045 395239504 /nfs/dbraw/zinc/23/95/04/395239504.db2.gz CYYSYFSPFBYEJM-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN COC(=O)C1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000183486557 395258144 /nfs/dbraw/zinc/25/81/44/395258144.db2.gz NWRPOWDDMPRRPL-UHFFFAOYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)C1CCN(Cc2cccc(C)c2O)CC1 ZINC000183486557 395258145 /nfs/dbraw/zinc/25/81/45/395258145.db2.gz NWRPOWDDMPRRPL-UHFFFAOYSA-N 0 3 263.337 2.086 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000183613937 395261294 /nfs/dbraw/zinc/26/12/94/395261294.db2.gz HFQRZEQSBQQIEK-RYUDHWBXSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180170853 261844838 /nfs/dbraw/zinc/84/48/38/261844838.db2.gz MZHHCRRAQOXSQF-GWCFXTLKSA-N 0 3 253.317 2.267 20 10 CECDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180170853 261844840 /nfs/dbraw/zinc/84/48/40/261844840.db2.gz MZHHCRRAQOXSQF-GWCFXTLKSA-N 0 3 253.317 2.267 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@@]3(CCOC3)C2)cc1C ZINC000184292005 262015734 /nfs/dbraw/zinc/01/57/34/262015734.db2.gz GWJBZHJRLQRGHX-INIZCTEOSA-N 0 3 277.364 2.000 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000185787757 262070464 /nfs/dbraw/zinc/07/04/64/262070464.db2.gz OUNCJKXXZXSYOU-CHWSQXEVSA-N 0 3 276.380 2.362 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185788591 262070781 /nfs/dbraw/zinc/07/07/81/262070781.db2.gz UHGFOBPWLBJWAZ-CHWSQXEVSA-N 0 3 276.380 2.362 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000186354044 262090117 /nfs/dbraw/zinc/09/01/17/262090117.db2.gz KBMVIXZCCCVLQO-LLVKDONJSA-N 0 3 294.395 2.214 20 10 CECDHN CCO[C@H]1C[C@](CO)([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000186597739 262101330 /nfs/dbraw/zinc/10/13/30/262101330.db2.gz JFUAXCZFDKHORA-GOEBONIOSA-N 0 3 279.380 2.048 20 10 CECDHN CCOc1cccc(CN2CCN(CC)C[C@H]2C)c1O ZINC000289747132 263111761 /nfs/dbraw/zinc/11/17/61/263111761.db2.gz QLOJIVKIGBKBJM-CYBMUJFWSA-N 0 3 278.396 2.317 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1[O-] ZINC000368133454 267146354 /nfs/dbraw/zinc/14/63/54/267146354.db2.gz URJYARALXSUHDQ-PBHICJAKSA-N 0 3 285.343 2.285 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368352692 267164777 /nfs/dbraw/zinc/16/47/77/267164777.db2.gz VQLFKYLKRILWJC-FOLVSLTJSA-N 0 3 269.344 2.216 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000368352692 267164779 /nfs/dbraw/zinc/16/47/79/267164779.db2.gz VQLFKYLKRILWJC-FOLVSLTJSA-N 0 3 269.344 2.216 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(C)C(=O)C1 ZINC000377713999 280219088 /nfs/dbraw/zinc/21/90/88/280219088.db2.gz CWXMMYOCWXHIBK-ZDUSSCGKSA-N 0 3 262.353 2.007 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(C)C(=O)C1 ZINC000377713999 280219089 /nfs/dbraw/zinc/21/90/89/280219089.db2.gz CWXMMYOCWXHIBK-ZDUSSCGKSA-N 0 3 262.353 2.007 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097440109 295168553 /nfs/dbraw/zinc/16/85/53/295168553.db2.gz NXGAXIUNOODUCV-MNOVXSKESA-N 0 3 253.342 2.070 20 10 CECDHN CC1(C2CC[NH+](Cc3ccccc3[O-])CC2)OCCO1 ZINC000272282843 328199547 /nfs/dbraw/zinc/19/95/47/328199547.db2.gz MYHYYTQAIYHXPL-UHFFFAOYSA-N 0 3 277.364 2.367 20 10 CECDHN CCC(O)(CC)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000276476221 328218745 /nfs/dbraw/zinc/21/87/45/328218745.db2.gz ZMTKSTOYOMPQBW-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN COc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000289514145 327408691 /nfs/dbraw/zinc/40/86/91/327408691.db2.gz IGROEFQNQZZVPN-ZDUSSCGKSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1[O-] ZINC000378459980 329051620 /nfs/dbraw/zinc/05/16/20/329051620.db2.gz UZWFNWGBVYKCEK-HOCLYGCPSA-N 0 3 277.364 2.128 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](OC)CC2)c1 ZINC000378629534 329057315 /nfs/dbraw/zinc/05/73/15/329057315.db2.gz DTORVONDRJNJRP-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OC)CC2)c1 ZINC000378629534 329057316 /nfs/dbraw/zinc/05/73/16/329057316.db2.gz DTORVONDRJNJRP-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000228671123 329059114 /nfs/dbraw/zinc/05/91/14/329059114.db2.gz DSTBXGCVRJVSCV-SNVBAGLBSA-N 0 3 295.770 2.429 20 10 CECDHN C[C@H]1CN(Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000179397106 329205297 /nfs/dbraw/zinc/20/52/97/329205297.db2.gz DUEHJDLVQJNNFC-HNNXBMFYSA-N 0 3 290.407 2.134 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005046 333292275 /nfs/dbraw/zinc/29/22/75/333292275.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 0 3 278.371 2.447 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@H]21 ZINC000228005046 333292276 /nfs/dbraw/zinc/29/22/76/333292276.db2.gz FGUROKCVMWRJSY-IUODEOHRSA-N 0 3 278.371 2.447 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@H](C)O[C@H]2C)c1 ZINC000529667924 333504738 /nfs/dbraw/zinc/50/47/38/333504738.db2.gz BNZVELHFXPTMAE-VEABSNGSSA-N 0 3 265.353 2.302 20 10 CECDHN O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000134230617 334085163 /nfs/dbraw/zinc/08/51/63/334085163.db2.gz PCZCMSNAILIZFJ-CYBMUJFWSA-N 0 3 270.332 2.248 20 10 CECDHN CC[C@@H](C[NH2+][C@H](C)c1cc(OC)ccc1[O-])OC ZINC000290036187 522551520 /nfs/dbraw/zinc/55/15/20/522551520.db2.gz DFJISMDBSDWOHG-MNOVXSKESA-N 0 3 253.342 2.476 20 10 CECDHN CCC[C@@H](C)C(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000292803992 520609558 /nfs/dbraw/zinc/60/95/58/520609558.db2.gz VVEFWUNOAPUNQK-CYBMUJFWSA-N 0 3 290.407 2.264 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@H](C)O)cc1F ZINC000130710915 520891375 /nfs/dbraw/zinc/89/13/75/520891375.db2.gz HXXMAWMANFQUKX-LBPRGKRZSA-N 0 3 268.376 2.485 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279767314 521156025 /nfs/dbraw/zinc/15/60/25/521156025.db2.gz JWPLWPHRRHWBKR-CQSZACIVSA-N 0 3 279.380 2.432 20 10 CECDHN CC[C@@H](C[NH2+][C@@H](C)c1cc(OC)ccc1[O-])OC ZINC000290036189 522550496 /nfs/dbraw/zinc/55/04/96/522550496.db2.gz DFJISMDBSDWOHG-QWRGUYRKSA-N 0 3 253.342 2.476 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036976945 522712902 /nfs/dbraw/zinc/71/29/02/522712902.db2.gz RSUDVEGYJVJYAW-QWHCGFSZSA-N 0 3 262.353 2.102 20 10 CECDHN CC[C@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000290117169 522758350 /nfs/dbraw/zinc/75/83/50/522758350.db2.gz JACBOJSUWBZUGS-YDHLFZDLSA-N 0 3 265.353 2.155 20 10 CECDHN CC[C@@H]([NH2+]CCCOCCO)c1ccc(C)cc1[O-] ZINC000280095476 522828635 /nfs/dbraw/zinc/82/86/35/522828635.db2.gz MSKZNLOHLRRPMB-CQSZACIVSA-N 0 3 267.369 2.140 20 10 CECDHN CCn1cc(CC[N@H+](C)Cc2ccccc2[O-])cn1 ZINC000276363451 523364021 /nfs/dbraw/zinc/36/40/21/523364021.db2.gz ZFEHJRZIUKYQAP-UHFFFAOYSA-N 0 3 259.353 2.283 20 10 CECDHN CCn1cc(CC[N@@H+](C)Cc2ccccc2[O-])cn1 ZINC000276363451 523364032 /nfs/dbraw/zinc/36/40/32/523364032.db2.gz ZFEHJRZIUKYQAP-UHFFFAOYSA-N 0 3 259.353 2.283 20 10 CECDHN CN1CCC[C@@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000293518950 523836090 /nfs/dbraw/zinc/83/60/90/523836090.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 0 3 278.371 2.449 20 10 CECDHN CN1CCC[C@@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000293518950 523836096 /nfs/dbraw/zinc/83/60/96/523836096.db2.gz AXINUHWDWIRQOJ-MRXNPFEDSA-N 0 3 278.371 2.449 20 10 CECDHN C[C@H](CN1CCCCC1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880076 524333956 /nfs/dbraw/zinc/33/39/56/524333956.db2.gz YGRGRTSPTQABIE-GFCCVEGCSA-N 0 3 292.379 2.085 20 10 CECDHN C[C@@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000263678957 524498953 /nfs/dbraw/zinc/49/89/53/524498953.db2.gz HUVSDNYHEUCGRZ-CQSZACIVSA-N 0 3 289.423 2.053 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2ccc(O)cc2)c1 ZINC000040735725 524751177 /nfs/dbraw/zinc/75/11/77/524751177.db2.gz IQZXABUABUTNLR-UHFFFAOYSA-N 0 3 273.332 2.439 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H](C)O)c1 ZINC000228044699 524762355 /nfs/dbraw/zinc/76/23/55/524762355.db2.gz WMACOPKNVDSJBC-WDEREUQCSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C ZINC000276857014 525317962 /nfs/dbraw/zinc/31/79/62/525317962.db2.gz JVRUHWVIAIQQKP-OAHLLOKOSA-N 0 3 288.391 2.206 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1C ZINC000276857014 525317969 /nfs/dbraw/zinc/31/79/69/525317969.db2.gz JVRUHWVIAIQQKP-OAHLLOKOSA-N 0 3 288.391 2.206 20 10 CECDHN Cc1ccc(O)c(CN2CCCN(CC(F)F)CC2)c1 ZINC000290486924 525343688 /nfs/dbraw/zinc/34/36/88/525343688.db2.gz OKGRNODVFQXNRI-UHFFFAOYSA-N 0 3 284.350 2.473 20 10 CECDHN Cc1ccc(O)c(CNCc2ccc(N(C)C)cc2)n1 ZINC000103341113 525351331 /nfs/dbraw/zinc/35/13/31/525351331.db2.gz NZNAHIDIHCMGRR-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN C[C@H](C(=O)NCCc1ccc(N)cc1)[C@@H](N)c1ccccc1 ZINC000262583177 526056488 /nfs/dbraw/zinc/05/64/88/526056488.db2.gz RJMFASYWBCUFBX-SUMWQHHRSA-N 0 3 297.402 2.264 20 10 CECDHN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000037087264 527580921 /nfs/dbraw/zinc/58/09/21/527580921.db2.gz WASPSMPNILFIPT-CYBMUJFWSA-N 0 3 257.337 2.293 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCC[C@H](C)C1 ZINC000731869557 574604485 /nfs/dbraw/zinc/60/44/85/574604485.db2.gz LMTLJUPCRFSHMZ-QWRGUYRKSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCC[C@H](C)C1 ZINC000731869557 574604486 /nfs/dbraw/zinc/60/44/86/574604486.db2.gz LMTLJUPCRFSHMZ-QWRGUYRKSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cc([O-])cs1 ZINC000732289523 574618332 /nfs/dbraw/zinc/61/83/32/574618332.db2.gz HXPQTVPIMIRIQX-QWRGUYRKSA-N 0 3 282.409 2.446 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732821219 574632381 /nfs/dbraw/zinc/63/23/81/574632381.db2.gz YCNVXPOWOMAIEL-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732820584 574632535 /nfs/dbraw/zinc/63/25/35/574632535.db2.gz LVPQROYIDYPNMT-ABAIWWIYSA-N 0 3 267.369 2.288 20 10 CECDHN COC[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613500 574682925 /nfs/dbraw/zinc/68/29/25/574682925.db2.gz YZQZTTFXDXPHIA-OAHLLOKOSA-N 0 3 279.380 2.144 20 10 CECDHN COC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613500 574682927 /nfs/dbraw/zinc/68/29/27/574682927.db2.gz YZQZTTFXDXPHIA-OAHLLOKOSA-N 0 3 279.380 2.144 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000734005140 574697077 /nfs/dbraw/zinc/69/70/77/574697077.db2.gz XMQTUSKADZAKMP-KRWDZBQOSA-N 0 3 287.359 2.398 20 10 CECDHN C[C@H](C(=O)NCc1ccccc1O)N1CCCCCC1 ZINC000735857101 574769359 /nfs/dbraw/zinc/76/93/59/574769359.db2.gz MVUMUNXJHWREQS-CYBMUJFWSA-N 0 3 276.380 2.273 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000738440223 574863252 /nfs/dbraw/zinc/86/32/52/574863252.db2.gz POOIDBFKLPUILF-UHFFFAOYSA-N 0 3 299.370 2.020 20 10 CECDHN CCN(CC)c1ccc(CNC[C@@H]2COCCO2)cc1F ZINC000740004728 574938693 /nfs/dbraw/zinc/93/86/93/574938693.db2.gz UIJXSGRZEULUOW-CQSZACIVSA-N 0 3 296.386 2.177 20 10 CECDHN CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743758415 575109313 /nfs/dbraw/zinc/10/93/13/575109313.db2.gz DHHDURDLUHPSIA-NSHDSACASA-N 0 3 282.409 2.258 20 10 CECDHN CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743783014 575109446 /nfs/dbraw/zinc/10/94/46/575109446.db2.gz MNAZSJLNSICIKC-NSHDSACASA-N 0 3 282.409 2.258 20 10 CECDHN CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743783014 575109447 /nfs/dbraw/zinc/10/94/47/575109447.db2.gz MNAZSJLNSICIKC-NSHDSACASA-N 0 3 282.409 2.258 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000746756646 575163967 /nfs/dbraw/zinc/16/39/67/575163967.db2.gz VPULBTSBUXGATC-CHWSQXEVSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H](C[NH+]1CCCC1)NC(=O)c1cc([O-])cs1 ZINC000751392380 575287963 /nfs/dbraw/zinc/28/79/63/575287963.db2.gz XFWWQVSRIWFFSF-SNVBAGLBSA-N 0 3 268.382 2.058 20 10 CECDHN C/C=C(/C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891253186 623328618 /nfs/dbraw/zinc/32/86/18/623328618.db2.gz RKASMKXZTJJYEQ-DJXGBFBFSA-N 0 3 289.423 2.438 20 10 CECDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000743499720 624788524 /nfs/dbraw/zinc/78/85/24/624788524.db2.gz PVTZIAQXPLAPAF-PWSUYJOCSA-N 0 3 281.352 2.008 20 10 CECDHN CCOc1ccc(C[NH2+]CC(O)(CC)CC)c([O-])c1 ZINC000725850336 625945098 /nfs/dbraw/zinc/94/50/98/625945098.db2.gz ZKLZKAQQXGRKFO-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN COc1ccc(CNCc2ccc(C)nc2)c(O)c1OC ZINC000892605433 627303991 /nfs/dbraw/zinc/30/39/91/627303991.db2.gz RVAXWGJGMNRDMF-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892790533 627774684 /nfs/dbraw/zinc/77/46/84/627774684.db2.gz DSTNVBURLKUAAC-OLZOCXBDSA-N 0 3 281.327 2.116 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000293868067 627860116 /nfs/dbraw/zinc/86/01/16/627860116.db2.gz CJMJTZHRUUPYCS-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CO)CC2)c1[O-] ZINC000293868067 627860119 /nfs/dbraw/zinc/86/01/19/627860119.db2.gz CJMJTZHRUUPYCS-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000219798892 628817160 /nfs/dbraw/zinc/81/71/60/628817160.db2.gz PRKRPGQKKLJBNS-GXFFZTMASA-N 0 3 266.772 2.229 20 10 CECDHN COCCOCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094616980 628929390 /nfs/dbraw/zinc/92/93/90/628929390.db2.gz HRSTZAINQGUQRK-LLVKDONJSA-N 0 3 271.332 2.235 20 10 CECDHN COc1cc(CNCc2cc(C)cc(OC)c2O)ccn1 ZINC000894236638 629244497 /nfs/dbraw/zinc/24/44/97/629244497.db2.gz UYZLYJPGCRAAJS-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN CC[C@H]([NH2+]CCCn1cncn1)c1ccc(C)cc1[O-] ZINC000794816147 629328489 /nfs/dbraw/zinc/32/84/89/629328489.db2.gz XCBKVYYPQKKCLE-AWEZNQCLSA-N 0 3 274.368 2.423 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000796497695 629920516 /nfs/dbraw/zinc/92/05/16/629920516.db2.gz ODAOFKPHYRACIQ-RYUDHWBXSA-N 0 3 265.353 2.163 20 10 CECDHN COc1ccc(CNCc2ccnc(F)c2)c(O)c1OC ZINC000895769982 630338553 /nfs/dbraw/zinc/33/85/53/630338553.db2.gz XXARDMFZORPISS-UHFFFAOYSA-N 0 3 292.310 2.233 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785420 630344077 /nfs/dbraw/zinc/34/40/77/630344077.db2.gz QJMZHMLGYULMBX-KBPBESRZSA-N 0 3 293.338 2.342 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785420 630344079 /nfs/dbraw/zinc/34/40/79/630344079.db2.gz QJMZHMLGYULMBX-KBPBESRZSA-N 0 3 293.338 2.342 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845121 630368741 /nfs/dbraw/zinc/36/87/41/630368741.db2.gz NFOVRPMKYOBSAB-SWLSCSKDSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895845121 630368744 /nfs/dbraw/zinc/36/87/44/630368744.db2.gz NFOVRPMKYOBSAB-SWLSCSKDSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCN2C)c1[O-] ZINC000896595656 630609004 /nfs/dbraw/zinc/60/90/04/630609004.db2.gz WPODQGNWOFPAPS-LBPRGKRZSA-N 0 3 299.212 2.257 20 10 CECDHN CCCN1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896636509 630620556 /nfs/dbraw/zinc/62/05/56/630620556.db2.gz DPTGHTQMDAOGJC-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1[O-] ZINC000802312899 631423872 /nfs/dbraw/zinc/42/38/72/631423872.db2.gz DTXYONVFOSDFSA-GXTWGEPZSA-N 0 3 276.380 2.490 20 10 CECDHN CCOc1cccc(CNCc2cnn(CCF)c2)c1O ZINC000897736848 631907261 /nfs/dbraw/zinc/90/72/61/631907261.db2.gz FIPIBKXXQHNJEC-UHFFFAOYSA-N 0 3 293.342 2.247 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230838 631938495 /nfs/dbraw/zinc/93/84/95/631938495.db2.gz RBAQYQOZOGFQKZ-WBMJQRKESA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC3)C1)[C@@H](O)CO2 ZINC000808230838 631938497 /nfs/dbraw/zinc/93/84/97/631938497.db2.gz RBAQYQOZOGFQKZ-WBMJQRKESA-N 0 3 289.375 2.440 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C)c1[O-] ZINC000808706392 632003169 /nfs/dbraw/zinc/00/31/69/632003169.db2.gz JBIHUBGZZQGNTN-NXEZZACHSA-N 0 3 284.787 2.481 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000808715816 632005329 /nfs/dbraw/zinc/00/53/29/632005329.db2.gz XNQXPRRAQAQMLA-IAQYHMDHSA-N 0 3 298.814 2.071 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC000809692621 632127856 /nfs/dbraw/zinc/12/78/56/632127856.db2.gz BRCDVDSFAKHVAU-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC000809692621 632127857 /nfs/dbraw/zinc/12/78/57/632127857.db2.gz BRCDVDSFAKHVAU-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000927080445 632448655 /nfs/dbraw/zinc/44/86/55/632448655.db2.gz KVJZACDLWWFPJK-OCCSQVGLSA-N 0 3 265.353 2.238 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000813879485 632751503 /nfs/dbraw/zinc/75/15/03/632751503.db2.gz MOAALSXHMFXQLJ-JTQLQIEISA-N 0 3 285.771 2.420 20 10 CECDHN CC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813885322 632751968 /nfs/dbraw/zinc/75/19/68/632751968.db2.gz SRANUMIRXQFOQA-WCABBAIRSA-N 0 3 253.317 2.440 20 10 CECDHN Cc1cc(CN(CC(N)=O)C(C)(C)C)ccc1N(C)C ZINC000815062905 632953031 /nfs/dbraw/zinc/95/30/31/632953031.db2.gz DCOFBEMSHIXAGH-UHFFFAOYSA-N 0 3 277.412 2.147 20 10 CECDHN CCOc1ccc(CN2CC3(C2)CCOC3)c(O)c1 ZINC000816669063 633460724 /nfs/dbraw/zinc/46/07/24/633460724.db2.gz FZFOZDLIQWKAEB-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CCOc1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC000816669063 633460728 /nfs/dbraw/zinc/46/07/28/633460728.db2.gz FZFOZDLIQWKAEB-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000817412580 633650455 /nfs/dbraw/zinc/65/04/55/633650455.db2.gz MVWFCQXTLISADQ-STQMWFEESA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000817412580 633650459 /nfs/dbraw/zinc/65/04/59/633650459.db2.gz MVWFCQXTLISADQ-STQMWFEESA-N 0 3 279.380 2.241 20 10 CECDHN C[C@H]([NH2+]C1CCNCC1)c1cc(F)cc(F)c1[O-] ZINC000817937572 633787790 /nfs/dbraw/zinc/78/77/90/633787790.db2.gz XUVORNXIDFCMJQ-QMMMGPOBSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817942490 633791102 /nfs/dbraw/zinc/79/11/02/633791102.db2.gz ZZWDYNHNNAVDCA-PSASIEDQSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817942490 633791107 /nfs/dbraw/zinc/79/11/07/633791107.db2.gz ZZWDYNHNNAVDCA-PSASIEDQSA-N 0 3 256.296 2.073 20 10 CECDHN CNCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817952543 633797522 /nfs/dbraw/zinc/79/75/22/633797522.db2.gz RPXAAVHWOBEGBG-MRVPVSSYSA-N 0 3 262.275 2.281 20 10 CECDHN C[NH2+]CCN[C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817952543 633797524 /nfs/dbraw/zinc/79/75/24/633797524.db2.gz RPXAAVHWOBEGBG-MRVPVSSYSA-N 0 3 262.275 2.281 20 10 CECDHN C[C@@H]1C[C@H](NCCc2ccc(N)cc2)c2nccn21 ZINC000817957799 633799574 /nfs/dbraw/zinc/79/95/74/633799574.db2.gz PGFAYDPOPIXJAG-RISCZKNCSA-N 0 3 256.353 2.303 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000822504037 634932571 /nfs/dbraw/zinc/93/25/71/634932571.db2.gz OTPBIILLXANORT-GHMZBOCLSA-N 0 3 286.169 2.076 20 10 CECDHN C[C@@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccccc1[O-] ZINC000903349136 635076101 /nfs/dbraw/zinc/07/61/01/635076101.db2.gz CWHMZOODUNRMRT-CYBMUJFWSA-N 0 3 291.391 2.365 20 10 CECDHN CCC[NH+]1CCC(N(C)C(=O)c2cc([O-])cs2)CC1 ZINC000823182478 635089123 /nfs/dbraw/zinc/08/91/23/635089123.db2.gz VQVNMYQPPPECKK-UHFFFAOYSA-N 0 3 282.409 2.400 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000824006405 635320902 /nfs/dbraw/zinc/32/09/02/635320902.db2.gz BKSGQLROWWKDSK-TXEJJXNPSA-N 0 3 265.353 2.042 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1[O-] ZINC000824584263 635457692 /nfs/dbraw/zinc/45/76/92/635457692.db2.gz ZROUTIIPSNWWEM-GDBMZVCRSA-N 0 3 292.423 2.280 20 10 CECDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824636264 635467239 /nfs/dbraw/zinc/46/72/39/635467239.db2.gz NNMIDFDFTSCGLF-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824636264 635467242 /nfs/dbraw/zinc/46/72/42/635467242.db2.gz NNMIDFDFTSCGLF-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)c([O-])c1 ZINC000824903619 635520996 /nfs/dbraw/zinc/52/09/96/635520996.db2.gz ICPOSLXFNPDHRL-UKRRQHHQSA-N 0 3 265.353 2.448 20 10 CECDHN FC1(F)CCNC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904354640 635586671 /nfs/dbraw/zinc/58/66/71/635586671.db2.gz IBNBLJSAYLQPQD-CQSZACIVSA-N 0 3 282.334 2.098 20 10 CECDHN CC1(C)C[NH2+]C[C@@H]1NCc1cc(Cl)ccc1[O-] ZINC000904463235 635635196 /nfs/dbraw/zinc/63/51/96/635635196.db2.gz OJQXRAQWNUCGCP-LBPRGKRZSA-N 0 3 254.761 2.133 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876510415 650296535 /nfs/dbraw/zinc/29/65/35/650296535.db2.gz VBZWHWFDHFVGND-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876510415 650296537 /nfs/dbraw/zinc/29/65/37/650296537.db2.gz VBZWHWFDHFVGND-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN CN(C)c1ccc([C@@H](CNC(=O)OCCF)N(C)C)cc1 ZINC000908460698 637351772 /nfs/dbraw/zinc/35/17/72/637351772.db2.gz XVFMZXBNIFPHAQ-CQSZACIVSA-N 0 3 297.374 2.051 20 10 CECDHN CC(=O)NCC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876636438 650369713 /nfs/dbraw/zinc/36/97/13/650369713.db2.gz YGXHXYGALDQXBE-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834531208 637856544 /nfs/dbraw/zinc/85/65/44/637856544.db2.gz SDLRSQUFPAHPMZ-ZIAGYGMSSA-N 0 3 279.380 2.003 20 10 CECDHN C[C@H](Cc1cnccn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834544580 637860284 /nfs/dbraw/zinc/86/02/84/637860284.db2.gz NWKGLKLCVFEBCF-RISCZKNCSA-N 0 3 269.348 2.390 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834880485 637977010 /nfs/dbraw/zinc/97/70/10/637977010.db2.gz FWTIHGWCBOWIKO-UMVBOHGHSA-N 0 3 277.364 2.021 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000834880468 637977193 /nfs/dbraw/zinc/97/71/93/637977193.db2.gz DGOAWIJTCQFXQU-HEHGZKQESA-N 0 3 279.380 2.403 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834881022 637977251 /nfs/dbraw/zinc/97/72/51/637977251.db2.gz YFPNTPITQMQABI-FIXISWKDSA-N 0 3 283.343 2.233 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876783087 650430540 /nfs/dbraw/zinc/43/05/40/650430540.db2.gz ZNRNIKZDJSMMDP-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876783087 650430541 /nfs/dbraw/zinc/43/05/41/650430541.db2.gz ZNRNIKZDJSMMDP-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c([O-])c1 ZINC000876925851 650488468 /nfs/dbraw/zinc/48/84/68/650488468.db2.gz FFMWOXKEJNCRLC-OAHLLOKOSA-N 0 3 283.375 2.446 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000226611458 639556089 /nfs/dbraw/zinc/55/60/89/639556089.db2.gz OUUIPSQCGNKDSD-GWCFXTLKSA-N 0 3 253.317 2.172 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H]1CC(=O)N(C(C)C)C1 ZINC000840934161 639591065 /nfs/dbraw/zinc/59/10/65/639591065.db2.gz MXRCVXYPQFVLKO-OAHLLOKOSA-N 0 3 289.423 2.160 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+]CC(C)(C)N)c1 ZINC000841030398 639622503 /nfs/dbraw/zinc/62/25/03/639622503.db2.gz HKMKIBBUKSQKLB-UHFFFAOYSA-N 0 3 287.201 2.290 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000841059568 639636994 /nfs/dbraw/zinc/63/69/94/639636994.db2.gz UNOHLODDPGBTLI-PRHODGIISA-N 0 3 272.751 2.272 20 10 CECDHN C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1 ZINC000841062835 639638342 /nfs/dbraw/zinc/63/83/42/639638342.db2.gz YHLORBPXJAURFS-GZMMTYOYSA-N 0 3 272.751 2.415 20 10 CECDHN C[C@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062835 639638344 /nfs/dbraw/zinc/63/83/44/639638344.db2.gz YHLORBPXJAURFS-GZMMTYOYSA-N 0 3 272.751 2.415 20 10 CECDHN CCN[C@H](C)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841067030 639642717 /nfs/dbraw/zinc/64/27/17/639642717.db2.gz ZKFDYWBXVHTZSN-MRVPVSSYSA-N 0 3 260.740 2.272 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)C[C@@H](C)O)c1[O-] ZINC000228677796 639652761 /nfs/dbraw/zinc/65/27/61/639652761.db2.gz KFOFEGHTMZISMZ-RKDXNWHRSA-N 0 3 273.760 2.303 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000842913310 640220298 /nfs/dbraw/zinc/22/02/98/640220298.db2.gz ZHLNGEOQCZQKJO-MVVXRAEJSA-N 0 3 281.327 2.083 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046346 640250883 /nfs/dbraw/zinc/25/08/83/640250883.db2.gz XCUASCRFQZALRG-IUODEOHRSA-N 0 3 278.371 2.495 20 10 CECDHN C[C@H]([NH3+])[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057672 640259848 /nfs/dbraw/zinc/25/98/48/640259848.db2.gz QNWRQSALDOKRMO-DTWKUNHWSA-N 0 3 272.751 2.354 20 10 CECDHN CC[C@@H]([NH2+]C[C@](C)(CO)OC)c1ccc(C)cc1[O-] ZINC000848556371 642051417 /nfs/dbraw/zinc/05/14/17/642051417.db2.gz WCVNJWGYJJZRGT-UKRRQHHQSA-N 0 3 267.369 2.139 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000848556433 642052154 /nfs/dbraw/zinc/05/21/54/642052154.db2.gz XQOUSSMAVCHTFO-HZMBPMFUSA-N 0 3 287.787 2.402 20 10 CECDHN CCc1cccc(CN2CCCC3(C2)OCCO3)c1O ZINC000848901037 642178712 /nfs/dbraw/zinc/17/87/12/642178712.db2.gz NLCQEOYINIYCPU-UHFFFAOYSA-N 0 3 277.364 2.294 20 10 CECDHN CC(C)N(C)CC[NH2+]Cc1c([O-])cccc1Cl ZINC000083552354 642204913 /nfs/dbraw/zinc/20/49/13/642204913.db2.gz YSWIHEMWYVODAI-UHFFFAOYSA-N 0 3 256.777 2.475 20 10 CECDHN CCC(O)(CC)CC[NH2+]Cc1c([O-])cccc1OC ZINC000788078526 642233216 /nfs/dbraw/zinc/23/32/16/642233216.db2.gz WQFJWBRORQHAOD-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000877530982 650770944 /nfs/dbraw/zinc/77/09/44/650770944.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c([O-])c1 ZINC000877530982 650770947 /nfs/dbraw/zinc/77/09/47/650770947.db2.gz HFDWRDIIQHJVIZ-DZGCQCFKSA-N 0 3 262.397 2.473 20 10 CECDHN CCN(CC)c1ccc(CNC/C=C/CO)cc1F ZINC000850357296 642681247 /nfs/dbraw/zinc/68/12/47/642681247.db2.gz DZSPVKZGCYINHR-AATRIKPKSA-N 0 3 266.360 2.310 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C)Cc2cnn(C)c2)c([O-])c1 ZINC000877570397 650794361 /nfs/dbraw/zinc/79/43/61/650794361.db2.gz HNQZGTNZHGKQQW-LBPRGKRZSA-N 0 3 259.353 2.155 20 10 CECDHN COC(=O)[C@H]1CSCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591891 650804076 /nfs/dbraw/zinc/80/40/76/650804076.db2.gz AOKDFVUPAUUMIY-CYBMUJFWSA-N 0 3 295.404 2.039 20 10 CECDHN COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591891 650804080 /nfs/dbraw/zinc/80/40/80/650804080.db2.gz AOKDFVUPAUUMIY-CYBMUJFWSA-N 0 3 295.404 2.039 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c([O-])c1 ZINC000877623015 650818628 /nfs/dbraw/zinc/81/86/28/650818628.db2.gz GVLJGIJCHPXWLG-TYILLQQXSA-N 0 3 281.421 2.480 20 10 CECDHN CCOc1ccc(C[NH2+]CCOC2CCOCC2)c([O-])c1 ZINC000922934851 643463789 /nfs/dbraw/zinc/46/37/89/643463789.db2.gz XIHXUKPKDSRGHW-UHFFFAOYSA-N 0 3 295.379 2.076 20 10 CECDHN CCOc1ccc(CNCc2ccnn2CC)c(O)c1 ZINC000853093497 643650021 /nfs/dbraw/zinc/65/00/21/643650021.db2.gz LTFOWLFZVAZDBT-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2ccnn2CC)c([O-])c1 ZINC000853093497 643650023 /nfs/dbraw/zinc/65/00/23/643650023.db2.gz LTFOWLFZVAZDBT-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CO[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)C1CCOCC1 ZINC000877703094 650859699 /nfs/dbraw/zinc/85/96/99/650859699.db2.gz RFYHVHTYYNKUJA-INIZCTEOSA-N 0 3 277.364 2.149 20 10 CECDHN CO[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)C1CCOCC1 ZINC000877703094 650859701 /nfs/dbraw/zinc/85/97/01/650859701.db2.gz RFYHVHTYYNKUJA-INIZCTEOSA-N 0 3 277.364 2.149 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC000877729260 650875167 /nfs/dbraw/zinc/87/51/67/650875167.db2.gz YWGBKFDTNDUIOT-OAHLLOKOSA-N 0 3 291.391 2.376 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c([O-])c1 ZINC000877729259 650875324 /nfs/dbraw/zinc/87/53/24/650875324.db2.gz YWGBKFDTNDUIOT-HNNXBMFYSA-N 0 3 291.391 2.376 20 10 CECDHN C[C@H](NCC12CC(C1)C[NH2+]2)c1cc(Cl)ccc1[O-] ZINC000854225950 644016741 /nfs/dbraw/zinc/01/67/41/644016741.db2.gz CAJZZGVFMYAQGU-IPWFMCSPSA-N 0 3 266.772 2.448 20 10 CECDHN C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([O-])cs1)C2 ZINC000854735512 644147690 /nfs/dbraw/zinc/14/76/90/644147690.db2.gz RDCRQOBALKWYKK-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN C[N@H+]1CC[C@]2(C1)CCCN(C(=O)c1cc([O-])cs1)C2 ZINC000854735512 644147696 /nfs/dbraw/zinc/14/76/96/644147696.db2.gz RDCRQOBALKWYKK-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN CN1CC[C@]2(C1)CCCN(C(=O)C1=CC(=O)CS1)C2 ZINC000854735512 644147700 /nfs/dbraw/zinc/14/77/00/644147700.db2.gz RDCRQOBALKWYKK-AWEZNQCLSA-N 0 3 280.393 2.012 20 10 CECDHN CN(C)c1ccc(CN2C[C@@H](O)CC(C)(C)C2)cc1F ZINC000877752661 650895585 /nfs/dbraw/zinc/89/55/85/650895585.db2.gz HAPHFPTUGZKVOZ-ZDUSSCGKSA-N 0 3 280.387 2.485 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000877755948 650899380 /nfs/dbraw/zinc/89/93/80/650899380.db2.gz URGYJYUCXKWVKR-AGIUHOORSA-N 0 3 297.420 2.399 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000756526106 644658915 /nfs/dbraw/zinc/65/89/15/644658915.db2.gz FMDMJGYQXFWVBZ-ZYHUDNBSSA-N 0 3 296.342 2.413 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000857084284 644812220 /nfs/dbraw/zinc/81/22/20/644812220.db2.gz LNHZRPQLJXKUBG-NDMJEZRESA-N 0 3 292.354 2.290 20 10 CECDHN C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000757659327 644832461 /nfs/dbraw/zinc/83/24/61/644832461.db2.gz YGBHBSZZFXGGMU-XQZNDVAUSA-N 0 3 285.384 2.436 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000758560557 644940321 /nfs/dbraw/zinc/94/03/21/644940321.db2.gz MRPGFZHGPXUWLX-ZDUSSCGKSA-N 0 3 255.317 2.355 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)CN(C)C(C)C ZINC000115490655 644959534 /nfs/dbraw/zinc/95/95/34/644959534.db2.gz LBIBTOOUEKJLSQ-UHFFFAOYSA-N 0 3 277.412 2.017 20 10 CECDHN COc1cccc(O)c1CN(C)C[C@@H]1CCCO1 ZINC000768247594 646101120 /nfs/dbraw/zinc/10/11/20/646101120.db2.gz CAHNUCRJZMSZBU-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CC(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464764 646127725 /nfs/dbraw/zinc/12/77/25/646127725.db2.gz UXQWNPPSCRWJPK-IAQYHMDHSA-N 0 3 277.364 2.296 20 10 CECDHN CC(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464764 646127728 /nfs/dbraw/zinc/12/77/28/646127728.db2.gz UXQWNPPSCRWJPK-IAQYHMDHSA-N 0 3 277.364 2.296 20 10 CECDHN CCOc1ccc(C[N@H+](C)CCn2cccn2)c([O-])c1 ZINC000769404823 646261411 /nfs/dbraw/zinc/26/14/11/646261411.db2.gz SAKFWHFNAJXJOC-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CCn2cccn2)c([O-])c1 ZINC000769404823 646261413 /nfs/dbraw/zinc/26/14/13/646261413.db2.gz SAKFWHFNAJXJOC-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000770510102 646400153 /nfs/dbraw/zinc/40/01/53/646400153.db2.gz JEPUVWIIYZFGMI-CQSZACIVSA-N 0 3 276.380 2.129 20 10 CECDHN CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000770510102 646400156 /nfs/dbraw/zinc/40/01/56/646400156.db2.gz JEPUVWIIYZFGMI-CQSZACIVSA-N 0 3 276.380 2.129 20 10 CECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000862487687 646478917 /nfs/dbraw/zinc/47/89/17/646478917.db2.gz UMSVMODSGGNUJR-LBPRGKRZSA-N 0 3 291.347 2.142 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)CN(C)C)c1cc(Cl)ccc1[O-] ZINC000775501300 646960520 /nfs/dbraw/zinc/96/05/20/646960520.db2.gz GCMIVIQYMFUXGC-YPMHNXCESA-N 0 3 286.803 2.009 20 10 CECDHN CC[C@@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775555134 646964662 /nfs/dbraw/zinc/96/46/62/646964662.db2.gz JSIPDESVBVVJEE-HIFRSBDPSA-N 0 3 298.814 2.153 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](OCC)[C@H]2OC)c([O-])c1 ZINC000775979195 647012080 /nfs/dbraw/zinc/01/20/80/647012080.db2.gz RQKSQTJWRXBGJA-KBMXLJTQSA-N 0 3 295.379 2.073 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)ccc1[O-] ZINC000779067756 647285500 /nfs/dbraw/zinc/28/55/00/647285500.db2.gz ZOEQBHSIFMLRNV-ZYHUDNBSSA-N 0 3 275.327 2.393 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c([O-])c1 ZINC000788533860 648200262 /nfs/dbraw/zinc/20/02/62/648200262.db2.gz DDLIKVBBGZAOIA-GOEBONIOSA-N 0 3 295.379 2.075 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000793245915 648728924 /nfs/dbraw/zinc/72/89/24/648728924.db2.gz DAWRMCQTXGWQQM-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000793245915 648728926 /nfs/dbraw/zinc/72/89/26/648728926.db2.gz DAWRMCQTXGWQQM-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@H](NC(=O)[C@H]1CNCc2ccccc21)c1ccccc1O ZINC000870988277 648971038 /nfs/dbraw/zinc/97/10/38/648971038.db2.gz LEGXVUSLORCYRP-LRDDRELGSA-N 0 3 296.370 2.456 20 10 CECDHN CC(C)OCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649325 651335436 /nfs/dbraw/zinc/33/54/36/651335436.db2.gz NESDVBVVCLJNJQ-OLZOCXBDSA-N 0 3 267.369 2.219 20 10 CECDHN C[C@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000879652365 651335966 /nfs/dbraw/zinc/33/59/66/651335966.db2.gz ZHFQKXCSKQITMN-LBPRGKRZSA-N 0 3 276.380 2.492 20 10 CECDHN COc1ccc(O)c(CN[C@](C)(CO)c2ccccc2)c1 ZINC000128583252 651490551 /nfs/dbraw/zinc/49/05/51/651490551.db2.gz RMILOLXSBZAKJY-QGZVFWFLSA-N 0 3 287.359 2.398 20 10 CECDHN CCC[C@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272151 651657360 /nfs/dbraw/zinc/65/73/60/651657360.db2.gz ODQYKKCBXBFJHH-AWEZNQCLSA-N 0 3 273.384 2.192 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883395133 652454137 /nfs/dbraw/zinc/45/41/37/652454137.db2.gz NVLKKRHCSBNYKF-OCCSQVGLSA-N 0 3 288.391 2.362 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056256 802548811 /nfs/dbraw/zinc/54/88/11/802548811.db2.gz OHVATKINRACXSV-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056256 802548815 /nfs/dbraw/zinc/54/88/15/802548815.db2.gz OHVATKINRACXSV-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN CC[N@H+](CCCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC001140057834 802549942 /nfs/dbraw/zinc/54/99/42/802549942.db2.gz PKBLZNGUZASHDP-UHFFFAOYSA-N 0 3 269.316 2.306 20 10 CECDHN CC[N@@H+](CCCC(=O)OC)Cc1cc(F)ccc1[O-] ZINC001140057834 802549945 /nfs/dbraw/zinc/54/99/45/802549945.db2.gz PKBLZNGUZASHDP-UHFFFAOYSA-N 0 3 269.316 2.306 20 10 CECDHN COC(CN(C)Cc1c(C)ccc(C)c1O)OC ZINC001140182365 802670476 /nfs/dbraw/zinc/67/04/76/802670476.db2.gz QRYCUFGZFNBELD-UHFFFAOYSA-N 0 3 253.342 2.060 20 10 CECDHN C[N@@H+]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000707153814 802897668 /nfs/dbraw/zinc/89/76/68/802897668.db2.gz ADDLQCSTBKPMIX-UHFFFAOYSA-N 0 3 299.212 2.292 20 10 CECDHN C[N@H+]1CCCN(Cc2c([O-])cccc2Br)CC1 ZINC000707153814 802897671 /nfs/dbraw/zinc/89/76/71/802897671.db2.gz ADDLQCSTBKPMIX-UHFFFAOYSA-N 0 3 299.212 2.292 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1COCC[C@H]1OC)c1ccccc1[O-] ZINC000724906990 803344178 /nfs/dbraw/zinc/34/41/78/803344178.db2.gz VSUWSLYTUGFRPD-UMVBOHGHSA-N 0 3 265.353 2.237 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CC23CC(O)C3)c1[O-] ZINC000724975606 803377435 /nfs/dbraw/zinc/37/74/35/803377435.db2.gz OGDOGWFAMOBEBQ-KHJSKFAYSA-N 0 3 283.755 2.057 20 10 CECDHN CCCNC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037280105 815134681 /nfs/dbraw/zinc/13/46/81/815134681.db2.gz MHRTTXYDYOHOHE-QWHCGFSZSA-N 0 3 277.412 2.318 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCOC2=O)CC1 ZINC001237489698 808221076 /nfs/dbraw/zinc/22/10/76/808221076.db2.gz DDWNMUSIJGIJPL-UHFFFAOYSA-N 0 3 275.348 2.230 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cccnc2N)c1 ZINC001168712069 809066910 /nfs/dbraw/zinc/06/69/10/809066910.db2.gz HYAHPPGFAKAJCP-SNVBAGLBSA-N 0 3 273.336 2.229 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cccnc2N)c1 ZINC001168712068 809067785 /nfs/dbraw/zinc/06/77/85/809067785.db2.gz HYAHPPGFAKAJCP-JTQLQIEISA-N 0 3 273.336 2.229 20 10 CECDHN CCN1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703308112 809641639 /nfs/dbraw/zinc/64/16/39/809641639.db2.gz MTQAIBNSUHSCDC-JTQLQIEISA-N 0 3 270.323 2.102 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000704340974 809730368 /nfs/dbraw/zinc/73/03/68/809730368.db2.gz OBJGAYDPIOWPRV-CHWSQXEVSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1[O-] ZINC001172158004 815323677 /nfs/dbraw/zinc/32/36/77/815323677.db2.gz BIDDXRQBMDGASI-JHJVBQTASA-N 0 3 274.364 2.196 20 10 CECDHN CN1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000706852109 809857378 /nfs/dbraw/zinc/85/73/78/809857378.db2.gz PUNWVTTWKIQUEP-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)=O)C1 ZINC001169623918 811594904 /nfs/dbraw/zinc/59/49/04/811594904.db2.gz IMADGWMHYNBDDM-OAHLLOKOSA-N 0 3 276.380 2.225 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C(C)=O)C1 ZINC001169623918 811594905 /nfs/dbraw/zinc/59/49/05/811594905.db2.gz IMADGWMHYNBDDM-OAHLLOKOSA-N 0 3 276.380 2.225 20 10 CECDHN COC(=O)[C@@H]1CCC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624564 815486129 /nfs/dbraw/zinc/48/61/29/815486129.db2.gz SFWICYQNUZFTLY-ZIAGYGMSSA-N 0 3 289.375 2.482 20 10 CECDHN COC(=O)[C@@H]1CCC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624564 815486133 /nfs/dbraw/zinc/48/61/33/815486133.db2.gz SFWICYQNUZFTLY-ZIAGYGMSSA-N 0 3 289.375 2.482 20 10 CECDHN CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172917389 815544662 /nfs/dbraw/zinc/54/46/62/815544662.db2.gz FZVLUVMTZQSHOB-YPMHNXCESA-N 0 3 251.326 2.145 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CSC[C@H]2C)c([O-])c1 ZINC000397913096 813644911 /nfs/dbraw/zinc/64/49/11/813644911.db2.gz ZEJUJFLNBOYMCW-SKDRFNHKSA-N 0 3 253.367 2.242 20 10 CECDHN [O-]c1c(F)cccc1C[NH+]1CCC(N2CCC2)CC1 ZINC001138131277 815736532 /nfs/dbraw/zinc/73/65/32/815736532.db2.gz UYFSQQGQWUYQCO-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC([NH+]2CCC2)CC1 ZINC001138131277 815736538 /nfs/dbraw/zinc/73/65/38/815736538.db2.gz UYFSQQGQWUYQCO-UHFFFAOYSA-N 0 3 264.344 2.201 20 10 CECDHN CCOC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173635470 815774018 /nfs/dbraw/zinc/77/40/18/815774018.db2.gz DLYRWUXEPRRFGE-YPMHNXCESA-N 0 3 293.363 2.309 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@@H]1O ZINC001140057419 816179810 /nfs/dbraw/zinc/17/98/10/816179810.db2.gz GXOKWZWMUQSGNP-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@@H]1O ZINC001140057419 816179814 /nfs/dbraw/zinc/17/98/14/816179814.db2.gz GXOKWZWMUQSGNP-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1cc(Cl)ccc1CN1CC([NH+]2CCCC2)C1 ZINC001140467559 816262376 /nfs/dbraw/zinc/26/23/76/816262376.db2.gz XONCKZXDYBEROX-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001140957606 816426498 /nfs/dbraw/zinc/42/64/98/816426498.db2.gz DUTRDASOYFYXFS-INIZCTEOSA-N 0 3 275.348 2.372 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001140957606 816426501 /nfs/dbraw/zinc/42/65/01/816426501.db2.gz DUTRDASOYFYXFS-INIZCTEOSA-N 0 3 275.348 2.372 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]23CCOC3)c(OC)c1 ZINC001141029345 816450429 /nfs/dbraw/zinc/45/04/29/816450429.db2.gz QQPMQEORQPLDRM-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]23CCOC3)c(OC)c1 ZINC001141029345 816450430 /nfs/dbraw/zinc/45/04/30/816450430.db2.gz QQPMQEORQPLDRM-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001141028963 816450746 /nfs/dbraw/zinc/45/07/46/816450746.db2.gz FNTXNVMYXFMCKA-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001141028963 816450750 /nfs/dbraw/zinc/45/07/50/816450750.db2.gz FNTXNVMYXFMCKA-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@]3(CCO3)C2)c(OC)c1 ZINC001141028963 816450756 /nfs/dbraw/zinc/45/07/56/816450756.db2.gz FNTXNVMYXFMCKA-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN CN(C)C1CN(Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074588 816470091 /nfs/dbraw/zinc/47/00/91/816470091.db2.gz NEJYQFHONRWMKL-UHFFFAOYSA-N 0 3 285.435 2.131 20 10 CECDHN [O-]c1cccc2c1C[N@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161496 816492488 /nfs/dbraw/zinc/49/24/88/816492488.db2.gz SBCHAFLRLKAAHF-UHFFFAOYSA-N 0 3 271.316 2.362 20 10 CECDHN [O-]c1cccc2c1C[N@@H+](Cc1cc(O)ccc1O)CC2 ZINC001141161496 816492490 /nfs/dbraw/zinc/49/24/90/816492490.db2.gz SBCHAFLRLKAAHF-UHFFFAOYSA-N 0 3 271.316 2.362 20 10 CECDHN Cn1nc(Br)cc1CNCc1ccccc1O ZINC000691592976 816652922 /nfs/dbraw/zinc/65/29/22/816652922.db2.gz QBWJCUGDQXPCIV-UHFFFAOYSA-N 0 3 296.168 2.178 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C(C1CC1)C1CC1)OCO2 ZINC000042879470 362127584 /nfs/dbraw/zinc/12/75/84/362127584.db2.gz XVYJUVVHJXLMJN-UHFFFAOYSA-N 0 3 261.321 2.399 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@@H](C)O)CC2)c1 ZINC000092970726 344209052 /nfs/dbraw/zinc/20/90/52/344209052.db2.gz BVTPPLOHSJYWIY-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000093837349 344230811 /nfs/dbraw/zinc/23/08/11/344230811.db2.gz LWZOBIXVANCSPE-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1[O-] ZINC000093837349 344230812 /nfs/dbraw/zinc/23/08/12/344230812.db2.gz LWZOBIXVANCSPE-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN CN(C)c1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1 ZINC000237082751 370689003 /nfs/dbraw/zinc/68/90/03/370689003.db2.gz MLVBSJCFGWPAEK-QGZVFWFLSA-N 0 3 297.402 2.459 20 10 CECDHN Cc1cc(O)c(CN(C)CCNC(=O)C(C)C)cc1C ZINC000092103966 364075293 /nfs/dbraw/zinc/07/52/93/364075293.db2.gz NFILRFRSRTWXRU-UHFFFAOYSA-N 0 3 278.396 2.213 20 10 CECDHN CCOc1cccc(CN2CCC[C@H](C(=O)OC)C2)c1O ZINC000092643772 364091866 /nfs/dbraw/zinc/09/18/66/364091866.db2.gz INDOBGCWFYEGBS-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1[O-] ZINC000092643772 364091870 /nfs/dbraw/zinc/09/18/70/364091870.db2.gz INDOBGCWFYEGBS-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](C(=O)OC)C2)c1[O-] ZINC000092643772 364091871 /nfs/dbraw/zinc/09/18/71/364091871.db2.gz INDOBGCWFYEGBS-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN Cc1cccc(CN2CCN(CC3CC3)CC2)c1O ZINC000179753919 368350737 /nfs/dbraw/zinc/35/07/37/368350737.db2.gz SCWFSZVFGULRGA-UHFFFAOYSA-N 0 3 260.381 2.228 20 10 CECDHN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000179888264 368356194 /nfs/dbraw/zinc/35/61/94/368356194.db2.gz UQXQFSRBVAZHAM-STQMWFEESA-N 0 3 265.353 2.238 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375747 368800001 /nfs/dbraw/zinc/80/00/01/368800001.db2.gz XOCRHWQWKABQPJ-RRFJBIMHSA-N 0 3 292.423 2.460 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCOCC1CC1 ZINC000226583325 370347266 /nfs/dbraw/zinc/34/72/66/370347266.db2.gz YWJPUKWWTGGKQT-UHFFFAOYSA-N 0 3 253.317 2.438 20 10 CECDHN CCOc1cccc(CNC[C@](C)(O)C(F)(F)F)c1O ZINC000270547470 372837201 /nfs/dbraw/zinc/83/72/01/372837201.db2.gz LFTWNYQDCWDPLK-LBPRGKRZSA-N 0 3 293.285 2.194 20 10 CECDHN CCN(CCOC)Cc1ccc(N(C)C)c(F)c1 ZINC000271058501 373096184 /nfs/dbraw/zinc/09/61/84/373096184.db2.gz VNQCICSBUIUPNL-UHFFFAOYSA-N 0 3 254.349 2.360 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](COC)C2)c1 ZINC000271158770 373151613 /nfs/dbraw/zinc/15/16/13/373151613.db2.gz DXWBQIVQGOHFIL-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](COC)C2)c1 ZINC000271158770 373151623 /nfs/dbraw/zinc/15/16/23/373151623.db2.gz DXWBQIVQGOHFIL-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1[O-] ZINC000367048344 373134108 /nfs/dbraw/zinc/13/41/08/373134108.db2.gz UDFIUZFAPCPMAT-OAHLLOKOSA-N 0 3 263.337 2.156 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@]23CCOC3)c1[O-] ZINC000367048344 373134112 /nfs/dbraw/zinc/13/41/12/373134112.db2.gz UDFIUZFAPCPMAT-OAHLLOKOSA-N 0 3 263.337 2.156 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309337 373147604 /nfs/dbraw/zinc/14/76/04/373147604.db2.gz VNAGVJYWWAQIGP-KWCYVHTRSA-N 0 3 290.363 2.274 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309337 373147605 /nfs/dbraw/zinc/14/76/05/373147605.db2.gz VNAGVJYWWAQIGP-KWCYVHTRSA-N 0 3 290.363 2.274 20 10 CECDHN COc1cccc(CN2CCOCC3(CCC3)C2)c1O ZINC000368100977 373219758 /nfs/dbraw/zinc/21/97/58/373219758.db2.gz XBYLFCAJCCNMSJ-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CC[C@@H](NCc1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000271876159 373204376 /nfs/dbraw/zinc/20/43/76/373204376.db2.gz ZLKYJIRESIGLRT-ZYHUDNBSSA-N 0 3 293.285 2.192 20 10 CECDHN CCC[C@](C)(N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000272482511 373508929 /nfs/dbraw/zinc/50/89/29/373508929.db2.gz RXHQHFQQUCTTET-HNNXBMFYSA-N 0 3 281.375 2.025 20 10 CECDHN COc1cccc(C[NH+]2CCC(CCCO)CC2)c1[O-] ZINC000272822965 373669835 /nfs/dbraw/zinc/66/98/35/373669835.db2.gz CQIHUNDCTXWOOU-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN C[C@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccccc1[O-] ZINC000272931971 373719934 /nfs/dbraw/zinc/71/99/34/373719934.db2.gz ZQRYRUNWPUVEKW-WFASDCNBSA-N 0 3 280.437 2.480 20 10 CECDHN C[C@@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000273076498 373746107 /nfs/dbraw/zinc/74/61/07/373746107.db2.gz PPSPDNFXPXACHD-NEPJUHHUSA-N 0 3 293.363 2.416 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1C ZINC000273447786 373758090 /nfs/dbraw/zinc/75/80/90/373758090.db2.gz FLNIGMDDPVCETR-AWEZNQCLSA-N 0 3 293.407 2.449 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(N)=O)c([O-])c1C ZINC000273477858 373759780 /nfs/dbraw/zinc/75/97/80/373759780.db2.gz LHJGMRGMVQXSCB-NSHDSACASA-N 0 3 264.369 2.171 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(OC)c2[O-])CC1(C)C ZINC000371458594 373888707 /nfs/dbraw/zinc/88/87/07/373888707.db2.gz LGFLJOZOKJWHEL-LBPRGKRZSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(OC)c2[O-])CC1(C)C ZINC000371458594 373888710 /nfs/dbraw/zinc/88/87/10/373888710.db2.gz LGFLJOZOKJWHEL-LBPRGKRZSA-N 0 3 293.363 2.032 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274417200 373915800 /nfs/dbraw/zinc/91/58/00/373915800.db2.gz NMEJLFWKUWVPAO-UHFFFAOYSA-N 0 3 293.367 2.166 20 10 CECDHN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(F)ccc1[O-] ZINC000282191897 375425201 /nfs/dbraw/zinc/42/52/01/375425201.db2.gz GGPDPOONOBVHNC-YYSFKGJASA-N 0 3 271.357 2.093 20 10 CECDHN Cc1ccc(O)c(CN[C@@]2(CO)CCOc3ccccc32)c1 ZINC000282212434 375429648 /nfs/dbraw/zinc/42/96/48/375429648.db2.gz DKSDBHDODHECIM-GOSISDBHSA-N 0 3 299.370 2.461 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1 ZINC000285065108 375834843 /nfs/dbraw/zinc/83/48/43/375834843.db2.gz JAKZGVQRAMKWPX-ZDUSSCGKSA-N 0 3 278.396 2.432 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)NCCF)c([O-])c1 ZINC000285366503 375838301 /nfs/dbraw/zinc/83/83/01/375838301.db2.gz VUMKVGLTAOAZOP-RYUDHWBXSA-N 0 3 282.359 2.134 20 10 CECDHN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1[O-] ZINC000285859261 375844352 /nfs/dbraw/zinc/84/43/52/375844352.db2.gz ZNQMWWXGZGIOPA-LBPRGKRZSA-N 0 3 297.420 2.400 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287605281 376273751 /nfs/dbraw/zinc/27/37/51/376273751.db2.gz SEUWFJVSDZIKDP-ZDUSSCGKSA-N 0 3 279.380 2.283 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000289195512 376389139 /nfs/dbraw/zinc/38/91/39/376389139.db2.gz AZXKMAQSBZEMEN-RYUDHWBXSA-N 0 3 265.353 2.163 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C1(CCO)CCCC1 ZINC000289329721 376391350 /nfs/dbraw/zinc/39/13/50/376391350.db2.gz GOIJCRLAXOJIEL-UHFFFAOYSA-N 0 3 253.317 2.316 20 10 CECDHN CN1CC[C@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331296 /nfs/dbraw/zinc/33/12/96/377331296.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 0 3 264.344 2.059 20 10 CECDHN CN1CC[C@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331302 /nfs/dbraw/zinc/33/13/02/377331302.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 0 3 264.344 2.059 20 10 CECDHN C[N@@H+]1CC[C@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331307 /nfs/dbraw/zinc/33/13/07/377331307.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 0 3 264.344 2.059 20 10 CECDHN C[N@H+]1CC[C@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC000292883685 377331313 /nfs/dbraw/zinc/33/13/13/377331313.db2.gz YADHWHFQKAXLAA-HNNXBMFYSA-N 0 3 264.344 2.059 20 10 CECDHN COCCO[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000294633340 378001736 /nfs/dbraw/zinc/00/17/36/378001736.db2.gz PJXFEJQXUTWLPT-INIZCTEOSA-N 0 3 292.423 2.298 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294943689 378030853 /nfs/dbraw/zinc/03/08/53/378030853.db2.gz YCCAOWNEHBUSRQ-CYBMUJFWSA-N 0 3 251.326 2.058 20 10 CECDHN CN(C)C(=O)C1([NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000294976374 378033137 /nfs/dbraw/zinc/03/31/37/378033137.db2.gz JLBATEXHJFRJFO-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN CC[C@H](NCc1ccc(OC)c(C)c1)[C@H](O)C(F)F ZINC000295071647 378038193 /nfs/dbraw/zinc/03/81/93/378038193.db2.gz PIEZKJMGJPLFAW-AAEUAGOBSA-N 0 3 273.323 2.498 20 10 CECDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@H](O)C(F)F ZINC000295128604 378043716 /nfs/dbraw/zinc/04/37/16/378043716.db2.gz XROMJWSRHATHKA-PWSUYJOCSA-N 0 3 259.296 2.195 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295138054 378044925 /nfs/dbraw/zinc/04/49/25/378044925.db2.gz ZBSIGHAPTSRBBK-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000295185392 378047952 /nfs/dbraw/zinc/04/79/52/378047952.db2.gz WNSMGBIZHQOXMW-HNNXBMFYSA-N 0 3 293.313 2.364 20 10 CECDHN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000295874219 378339101 /nfs/dbraw/zinc/33/91/01/378339101.db2.gz GMBYVQRSUZESHF-HONMWMINSA-N 0 3 261.365 2.445 20 10 CECDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296964111 378660527 /nfs/dbraw/zinc/66/05/27/378660527.db2.gz RFYNVYBQGPFQQR-CABZTGNLSA-N 0 3 275.270 2.282 20 10 CECDHN [O-]c1cccc(Cl)c1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530179322 380195955 /nfs/dbraw/zinc/19/59/55/380195955.db2.gz SURKQHMVYHOVJO-CYBMUJFWSA-N 0 3 266.772 2.420 20 10 CECDHN CCOc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)c([O-])c1 ZINC000530176608 380196197 /nfs/dbraw/zinc/19/61/97/380196197.db2.gz CPXTYNYPOFVBRU-OAHLLOKOSA-N 0 3 276.380 2.165 20 10 CECDHN CC(C)(C)OC(=O)NCCC[NH2+]Cc1ccccc1[O-] ZINC000105433516 394721872 /nfs/dbraw/zinc/72/18/72/394721872.db2.gz JZUHSYNGNMXXGQ-UHFFFAOYSA-N 0 3 280.368 2.397 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC000282395560 394918767 /nfs/dbraw/zinc/91/87/67/394918767.db2.gz RJHXGEFLWXVUKS-AAEUAGOBSA-N 0 3 265.353 2.400 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1[O-] ZINC000282395560 394918770 /nfs/dbraw/zinc/91/87/70/394918770.db2.gz RJHXGEFLWXVUKS-AAEUAGOBSA-N 0 3 265.353 2.400 20 10 CECDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C[C@H]1CCCO1 ZINC000132663052 394935514 /nfs/dbraw/zinc/93/55/14/394935514.db2.gz CAIIBJQIZMDLKO-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C[C@H]1CCCO1 ZINC000132663052 394935520 /nfs/dbraw/zinc/93/55/20/394935520.db2.gz CAIIBJQIZMDLKO-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(CN[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493438 394957993 /nfs/dbraw/zinc/95/79/93/394957993.db2.gz BDDOORPNGVQSJL-NSHDSACASA-N 0 3 294.395 2.184 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@H]2Cn2ccnn2)cc1 ZINC000373918966 395067904 /nfs/dbraw/zinc/06/79/04/395067904.db2.gz TYMAUFYXMFLILW-KRWDZBQOSA-N 0 3 299.422 2.399 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000182894751 395250256 /nfs/dbraw/zinc/25/02/56/395250256.db2.gz ASTVTKHCPVVKPY-SECBINFHSA-N 0 3 288.351 2.247 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000035628755 172308074 /nfs/dbraw/zinc/30/80/74/172308074.db2.gz AAZGADVOPWPRPZ-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC(C)C ZINC000153753410 261082912 /nfs/dbraw/zinc/08/29/12/261082912.db2.gz LXJYDZRTLVRSLN-UHFFFAOYSA-N 0 3 291.439 2.347 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1[O-] ZINC000155587157 261103910 /nfs/dbraw/zinc/10/39/10/261103910.db2.gz VHMMPXHOLIFALG-TZMCWYRMSA-N 0 3 286.379 2.348 20 10 CECDHN CC[C@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000156319386 261119855 /nfs/dbraw/zinc/11/98/55/261119855.db2.gz NBKRAXSNDQMRMY-OAHLLOKOSA-N 0 3 290.407 2.227 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C[C@H]2CCCOC2)cc1OC ZINC000160162932 261206508 /nfs/dbraw/zinc/20/65/08/261206508.db2.gz QEMLRAJTALPQJB-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CCCOC2)cc1OC ZINC000160162932 261206509 /nfs/dbraw/zinc/20/65/09/261206509.db2.gz QEMLRAJTALPQJB-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN CN(C)C(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000179684713 261809411 /nfs/dbraw/zinc/80/94/11/261809411.db2.gz MVAMUYYXTLKMQF-UHFFFAOYSA-N 0 3 289.423 2.053 20 10 CECDHN CC(=O)NCCC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184921877 262034024 /nfs/dbraw/zinc/03/40/24/262034024.db2.gz XIFBZKUPOIOYHM-GFCCVEGCSA-N 0 3 290.407 2.448 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185008852 262038195 /nfs/dbraw/zinc/03/81/95/262038195.db2.gz XKJGCELCPGDFKY-CQSZACIVSA-N 0 3 280.412 2.320 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCN1C)c1cc(F)ccc1[O-] ZINC000185142713 262043460 /nfs/dbraw/zinc/04/34/60/262043460.db2.gz HOVKWAVECDYEBU-CMPLNLGQSA-N 0 3 252.333 2.276 20 10 CECDHN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185438691 262053812 /nfs/dbraw/zinc/05/38/12/262053812.db2.gz ZKOGZCWKLILRRZ-ZIBATOQPSA-N 0 3 267.369 2.458 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185511782 262058189 /nfs/dbraw/zinc/05/81/89/262058189.db2.gz PLIVAYKIDZMTGZ-COPLHBTASA-N 0 3 269.410 2.464 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000186088992 262078964 /nfs/dbraw/zinc/07/89/64/262078964.db2.gz UEPULYAPHJGNFC-VXGBXAGGSA-N 0 3 274.364 2.115 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1 ZINC000186211932 262084691 /nfs/dbraw/zinc/08/46/91/262084691.db2.gz ZIHMCLUNAXZFAA-LLVKDONJSA-N 0 3 251.326 2.114 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000186902197 262328264 /nfs/dbraw/zinc/32/82/64/262328264.db2.gz BNXUBZPGRKLIAA-IUCAKERBSA-N 0 3 288.185 2.495 20 10 CECDHN COC(=O)[C@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271191267 262994464 /nfs/dbraw/zinc/99/44/64/262994464.db2.gz QGRXHTGBSAACTI-MRXNPFEDSA-N 0 3 294.370 2.277 20 10 CECDHN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584444 263199288 /nfs/dbraw/zinc/19/92/88/263199288.db2.gz NAPLMFIRRMCRLE-GFCCVEGCSA-N 0 3 266.360 2.495 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NC(C)(C)C ZINC000295787437 279520746 /nfs/dbraw/zinc/52/07/46/279520746.db2.gz ABDOCUYZBCMXCF-CMPLNLGQSA-N 0 3 276.380 2.272 20 10 CECDHN CN(C)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1F ZINC000270452013 328193425 /nfs/dbraw/zinc/19/34/25/328193425.db2.gz CMURTLLMWWUWRH-GFCCVEGCSA-N 0 3 294.292 2.295 20 10 CECDHN C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181696 327177602 /nfs/dbraw/zinc/17/76/02/327177602.db2.gz COCMTYZNVRRTET-JSGCOSHPSA-N 0 3 287.407 2.167 20 10 CECDHN CC(C)(C)C(=O)N1CCCN(Cc2ccccc2O)CC1 ZINC000378379698 329048116 /nfs/dbraw/zinc/04/81/16/329048116.db2.gz SZDOJCUFSGKIPQ-UHFFFAOYSA-N 0 3 290.407 2.473 20 10 CECDHN O=C(NC1CC1)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000378495472 329052739 /nfs/dbraw/zinc/05/27/39/329052739.db2.gz MHJFFBRPSLKQLV-UHFFFAOYSA-N 0 3 292.354 2.022 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCN(c3cccnn3)CC2)c1[O-] ZINC000180077731 329215025 /nfs/dbraw/zinc/21/50/25/329215025.db2.gz RTZSERJCYVGASQ-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1cccc(C[N@H+]2CCCN(c3cccnn3)CC2)c1[O-] ZINC000180077731 329215027 /nfs/dbraw/zinc/21/50/27/329215027.db2.gz RTZSERJCYVGASQ-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@H]1CCCOC1)OCO2 ZINC000527741089 330282695 /nfs/dbraw/zinc/28/26/95/330282695.db2.gz XXVBSTIJOKOBNL-LLVKDONJSA-N 0 3 279.336 2.027 20 10 CECDHN CO[C@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000230299911 333316043 /nfs/dbraw/zinc/31/60/43/333316043.db2.gz AZSGMJQTWINAAZ-OAHLLOKOSA-N 0 3 279.336 2.122 20 10 CECDHN CO[C@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000230299911 333316044 /nfs/dbraw/zinc/31/60/44/333316044.db2.gz AZSGMJQTWINAAZ-OAHLLOKOSA-N 0 3 279.336 2.122 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC[C@@H]2CCCOC2)cc1OC ZINC000529636451 333502422 /nfs/dbraw/zinc/50/24/22/333502422.db2.gz BVRMJLCQYJAOSX-LBPRGKRZSA-N 0 3 295.379 2.316 20 10 CECDHN COc1ccc(CC[NH2+]Cc2cccc(C)c2[O-])cn1 ZINC000529662586 333504564 /nfs/dbraw/zinc/50/45/64/333504564.db2.gz SGXZMKBBUHTTHQ-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN CCN(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000054109854 520238015 /nfs/dbraw/zinc/23/80/15/520238015.db2.gz OHCHOCFBTHFSLC-NSHDSACASA-N 0 3 252.358 2.003 20 10 CECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000280248341 520484581 /nfs/dbraw/zinc/48/45/81/520484581.db2.gz KYLBLBUOTHDSMK-INIZCTEOSA-N 0 3 277.364 2.162 20 10 CECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000280248341 520484592 /nfs/dbraw/zinc/48/45/92/520484592.db2.gz KYLBLBUOTHDSMK-INIZCTEOSA-N 0 3 277.364 2.162 20 10 CECDHN CCN(CC)c1ccc(CN[C@]2(CCO)CCOC2)cc1 ZINC000278500625 520910208 /nfs/dbraw/zinc/91/02/08/520910208.db2.gz NVAGTUBFNUOXCP-QGZVFWFLSA-N 0 3 292.423 2.164 20 10 CECDHN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000278797427 520957767 /nfs/dbraw/zinc/95/77/67/520957767.db2.gz XGJSYFLQOUQKRR-INIZCTEOSA-N 0 3 293.363 2.248 20 10 CECDHN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000278797427 520957775 /nfs/dbraw/zinc/95/77/75/520957775.db2.gz XGJSYFLQOUQKRR-INIZCTEOSA-N 0 3 293.363 2.248 20 10 CECDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000126447251 521153132 /nfs/dbraw/zinc/15/31/32/521153132.db2.gz ZJTGLHMHZCSTSR-ZFWWWQNUSA-N 0 3 289.423 2.414 20 10 CECDHN CCC[C@]1([NH2+]Cc2cc(OC)ccc2[O-])CCOC1 ZINC000289828428 521322025 /nfs/dbraw/zinc/32/20/25/521322025.db2.gz UFEXZOAMHRYZJW-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](COC)C2)c1[O-] ZINC000211515690 521345623 /nfs/dbraw/zinc/34/56/23/521345623.db2.gz PMOJKHRWFWKKGD-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](COC)C2)c1[O-] ZINC000211515690 521345633 /nfs/dbraw/zinc/34/56/33/521345633.db2.gz PMOJKHRWFWKKGD-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[NH2+]CCCn2ccnc2)c1[O-] ZINC000020506275 521361793 /nfs/dbraw/zinc/36/17/93/521361793.db2.gz QQHGLXLYTKLDNY-UHFFFAOYSA-N 0 3 275.352 2.167 20 10 CECDHN CCOc1cccc(CNCc2ccnc(OC)c2)c1O ZINC000060942040 521367333 /nfs/dbraw/zinc/36/73/33/521367333.db2.gz MTKADFPKYZUPJQ-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN CN(C)c1ccc(C2=CCN(Cc3ccnc(N)c3)C2)cc1 ZINC000365852536 522157172 /nfs/dbraw/zinc/15/71/72/522157172.db2.gz KNTUNXALSWVZME-UHFFFAOYSA-N 0 3 294.402 2.459 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1ccc(C)cc1[O-] ZINC000280277972 522624917 /nfs/dbraw/zinc/62/49/17/522624917.db2.gz YGPSQPAXCNQPHK-NOLJZWGESA-N 0 3 279.380 2.281 20 10 CECDHN COC[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000278928499 522749817 /nfs/dbraw/zinc/74/98/17/522749817.db2.gz USMWMBXFYMTMCR-GOEBONIOSA-N 0 3 296.386 2.175 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000279685607 522772948 /nfs/dbraw/zinc/77/29/48/522772948.db2.gz PFYXHYNKQKMYMU-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)cc1OC ZINC000279685607 522772956 /nfs/dbraw/zinc/77/29/56/522772956.db2.gz PFYXHYNKQKMYMU-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN CC[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000280054231 522830638 /nfs/dbraw/zinc/83/06/38/522830638.db2.gz JTEVOWCZMXFXQS-CYBMUJFWSA-N 0 3 285.409 2.176 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H](O)COC)c1ccc(C)cc1[O-] ZINC000280151586 522840301 /nfs/dbraw/zinc/84/03/01/522840301.db2.gz QGAKUUUVVMTLBK-TZMCWYRMSA-N 0 3 267.369 2.139 20 10 CECDHN COC(=O)CCCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000289804483 522992553 /nfs/dbraw/zinc/99/25/53/522992553.db2.gz NBSQTZNFKCVNQP-UHFFFAOYSA-N 0 3 281.352 2.224 20 10 CECDHN CN(C)CCN(C(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237113785 524058784 /nfs/dbraw/zinc/05/87/84/524058784.db2.gz YENRXNQTAREGAI-UHFFFAOYSA-N 0 3 297.402 2.406 20 10 CECDHN COc1ccc(CNCCOCC(F)F)cc1C ZINC000231677556 524071160 /nfs/dbraw/zinc/07/11/60/524071160.db2.gz YVMJGTIOQNLITA-UHFFFAOYSA-N 0 3 259.296 2.375 20 10 CECDHN COc1ccc(CN[C@@H](C)CN2CCCC2=O)cc1C ZINC000037782649 524074256 /nfs/dbraw/zinc/07/42/56/524074256.db2.gz PFPGUEZYMXSILR-ZDUSSCGKSA-N 0 3 276.380 2.104 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1 ZINC000293785049 524333020 /nfs/dbraw/zinc/33/30/20/524333020.db2.gz QISVKCUDXDOWKX-LBPRGKRZSA-N 0 3 264.369 2.138 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1[O-] ZINC000292739418 524408805 /nfs/dbraw/zinc/40/88/05/524408805.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1[O-] ZINC000292739418 524408806 /nfs/dbraw/zinc/40/88/06/524408806.db2.gz HDKIHFZTGGKGNZ-MRXNPFEDSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000291462559 524868564 /nfs/dbraw/zinc/86/85/64/524868564.db2.gz DETOUEOTIUCXLB-UHFFFAOYSA-N 0 3 265.744 2.409 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275581 525345850 /nfs/dbraw/zinc/34/58/50/525345850.db2.gz MXXNTZKWDPFLHK-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275581 525345856 /nfs/dbraw/zinc/34/58/56/525345856.db2.gz MXXNTZKWDPFLHK-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc(O)c(CN2C[C@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275581 525345863 /nfs/dbraw/zinc/34/58/63/525345863.db2.gz MXXNTZKWDPFLHK-KRWDZBQOSA-N 0 3 291.391 2.471 20 10 CECDHN C[C@@H](NCc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000041159271 525554910 /nfs/dbraw/zinc/55/49/10/525554910.db2.gz SBVKDNDLBSFNCU-GFCCVEGCSA-N 0 3 258.369 2.337 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(O)CCO[C@H]2C)c([O-])c1C ZINC000278866545 525924201 /nfs/dbraw/zinc/92/42/01/525924201.db2.gz RODYTVFOEVUZMX-XEZPLFJOSA-N 0 3 279.380 2.200 20 10 CECDHN CCC[NH+]1CCC(CNC(=O)c2cc([O-])cs2)CC1 ZINC000732281440 574618128 /nfs/dbraw/zinc/61/81/28/574618128.db2.gz IINROGSRKIPSHQ-UHFFFAOYSA-N 0 3 282.409 2.306 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)Cc2cnccn2)c1 ZINC000733326019 574664336 /nfs/dbraw/zinc/66/43/36/574664336.db2.gz DGDKMKCWISLPJE-GFCCVEGCSA-N 0 3 257.337 2.211 20 10 CECDHN CN(C)C[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738227717 574855229 /nfs/dbraw/zinc/85/52/29/574855229.db2.gz OMPATSILXQTHCA-ZDUSSCGKSA-N 0 3 285.391 2.324 20 10 CECDHN CN(C)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738227717 574855231 /nfs/dbraw/zinc/85/52/31/574855231.db2.gz OMPATSILXQTHCA-ZDUSSCGKSA-N 0 3 285.391 2.324 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000742374629 575018209 /nfs/dbraw/zinc/01/82/09/575018209.db2.gz AQWZPBLGNVLUPS-OCCSQVGLSA-N 0 3 278.396 2.363 20 10 CECDHN CCOCc1cc(CN[C@@H](C)COC)ccc1OC ZINC000747855100 575175900 /nfs/dbraw/zinc/17/59/00/575175900.db2.gz ZXZONKLWQZBYCQ-LBPRGKRZSA-N 0 3 267.369 2.356 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2ccn(C)c2)c([O-])c1 ZINC000748098750 575178337 /nfs/dbraw/zinc/17/83/37/575178337.db2.gz MPJBLTDXGIRRMF-UHFFFAOYSA-N 0 3 260.337 2.419 20 10 CECDHN O=C(C[NH2+][C@@H]1CCc2cccc([O-])c21)NCc1ccccc1 ZINC000309720419 625294548 /nfs/dbraw/zinc/29/45/48/625294548.db2.gz NNPJHBQZCZHSFL-OAHLLOKOSA-N 0 3 296.370 2.286 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1[O-] ZINC000806178831 622935490 /nfs/dbraw/zinc/93/54/90/622935490.db2.gz JOIYHIZSTRVELO-OCCSQVGLSA-N 0 3 272.348 2.214 20 10 CECDHN COc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846111296 623349777 /nfs/dbraw/zinc/34/97/77/623349777.db2.gz LEIYLQMNHAAACJ-AOOOYVTPSA-N 0 3 255.264 2.098 20 10 CECDHN C[C@H](CC[NH2+][C@@H](C)c1ccccc1[O-])[S@](C)=O ZINC000167468177 627664491 /nfs/dbraw/zinc/66/44/91/627664491.db2.gz XWMUIRKUVDQASR-VGTOOOLASA-N 0 3 255.383 2.200 20 10 CECDHN CC[C@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178735878 629144811 /nfs/dbraw/zinc/14/48/11/629144811.db2.gz KQNQESFJVWZPKV-AWEZNQCLSA-N 0 3 291.439 2.441 20 10 CECDHN COc1cc(C)cc(CNC(C)(C)c2cnn(C)c2)c1O ZINC000894268130 629285966 /nfs/dbraw/zinc/28/59/66/629285966.db2.gz ATCRPMQUZYBHQH-UHFFFAOYSA-N 0 3 289.379 2.468 20 10 CECDHN COc1cc(C)cc(CNCc2n[nH]c(C(C)C)n2)c1O ZINC000894875780 629709999 /nfs/dbraw/zinc/70/99/99/629709999.db2.gz AJXANPZFLDGBDQ-UHFFFAOYSA-N 0 3 290.367 2.241 20 10 CECDHN CCn1nccc1CNCc1cc(C)cc(OC)c1O ZINC000895361021 630138772 /nfs/dbraw/zinc/13/87/72/630138772.db2.gz WGWLCQKKHUEDKQ-UHFFFAOYSA-N 0 3 275.352 2.215 20 10 CECDHN COCC1CN(C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000895969510 630422760 /nfs/dbraw/zinc/42/27/60/630422760.db2.gz DXXPDRSBCYPOQQ-PLNGDYQASA-N 0 3 260.381 2.344 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2F)CCN1C ZINC000896637390 630620873 /nfs/dbraw/zinc/62/08/73/630620873.db2.gz JPWRPQLMFIETTO-QWRGUYRKSA-N 0 3 252.333 2.104 20 10 CECDHN COc1cc(C)cc(CNCc2cncc(O)c2)c1O ZINC000897305634 631067174 /nfs/dbraw/zinc/06/71/74/631067174.db2.gz ZKWKLJCKBAMVQX-UHFFFAOYSA-N 0 3 274.320 2.100 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800862916 631150018 /nfs/dbraw/zinc/15/00/18/631150018.db2.gz BEVSOXKHAUGUSL-OKILXGFUSA-N 0 3 285.343 2.145 20 10 CECDHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000800862916 631150019 /nfs/dbraw/zinc/15/00/19/631150019.db2.gz BEVSOXKHAUGUSL-OKILXGFUSA-N 0 3 285.343 2.145 20 10 CECDHN Oc1ccc2ccccc2c1CN1C[C@@H]2COC[C@H](C1)O2 ZINC000800862916 631150021 /nfs/dbraw/zinc/15/00/21/631150021.db2.gz BEVSOXKHAUGUSL-OKILXGFUSA-N 0 3 285.343 2.145 20 10 CECDHN CCCN(Cc1ccccc1O)C[C@@H](C)CS(C)(=O)=O ZINC000163378747 631343651 /nfs/dbraw/zinc/34/36/51/631343651.db2.gz MILMJWOJTGHMSR-CYBMUJFWSA-N 0 3 299.436 2.285 20 10 CECDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000863484807 631561395 /nfs/dbraw/zinc/56/13/95/631561395.db2.gz NAFICXXQGSXQIV-MWLCHTKSSA-N 0 3 299.212 2.385 20 10 CECDHN C[C@@H]1CC[C@@H](NCc2cccc(Br)c2[O-])C[NH2+]1 ZINC000863484807 631561424 /nfs/dbraw/zinc/56/14/24/631561424.db2.gz NAFICXXQGSXQIV-MWLCHTKSSA-N 0 3 299.212 2.385 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCOCCO)c1[O-] ZINC000808672129 631998634 /nfs/dbraw/zinc/99/86/34/631998634.db2.gz DNXNADWOGXKZTK-JTQLQIEISA-N 0 3 273.760 2.014 20 10 CECDHN COC(=O)N1CC([NH2+][C@@H](C)c2cc(Cl)cc(C)c2[O-])C1 ZINC000808706745 632002963 /nfs/dbraw/zinc/00/29/63/632002963.db2.gz SPZGDKQMFLFXPN-VIFPVBQESA-N 0 3 298.770 2.455 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CCCn1ccnc1 ZINC000809752877 632140546 /nfs/dbraw/zinc/14/05/46/632140546.db2.gz JZOCHWFWZPYBMY-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CCCn1ccnc1 ZINC000809752877 632140551 /nfs/dbraw/zinc/14/05/51/632140551.db2.gz JZOCHWFWZPYBMY-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@@H](CO)COC(C)C)c([O-])c1 ZINC000809768448 632143935 /nfs/dbraw/zinc/14/39/35/632143935.db2.gz LGUDDADGIPKZMQ-AWEZNQCLSA-N 0 3 297.395 2.009 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@@H](CO)COC(C)C)c([O-])c1 ZINC000809768448 632143938 /nfs/dbraw/zinc/14/39/38/632143938.db2.gz LGUDDADGIPKZMQ-AWEZNQCLSA-N 0 3 297.395 2.009 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809779104 632144655 /nfs/dbraw/zinc/14/46/55/632144655.db2.gz DJDPQLIZZYWPSN-CYBMUJFWSA-N 0 3 278.352 2.103 20 10 CECDHN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809779104 632144656 /nfs/dbraw/zinc/14/46/56/632144656.db2.gz DJDPQLIZZYWPSN-CYBMUJFWSA-N 0 3 278.352 2.103 20 10 CECDHN CCC[C@@]1(CO)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000809790149 632146540 /nfs/dbraw/zinc/14/65/40/632146540.db2.gz AONCKRGXWHUQSM-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000809790149 632146545 /nfs/dbraw/zinc/14/65/45/632146545.db2.gz AONCKRGXWHUQSM-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCOC1CCSCC1 ZINC000898442243 632501173 /nfs/dbraw/zinc/50/11/73/632501173.db2.gz JQDZBLDZEWXKMC-UHFFFAOYSA-N 0 3 297.420 2.403 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780852 632577190 /nfs/dbraw/zinc/57/71/90/632577190.db2.gz VPYJZXVBZHFQLQ-GFCCVEGCSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000812780852 632577194 /nfs/dbraw/zinc/57/71/94/632577194.db2.gz VPYJZXVBZHFQLQ-GFCCVEGCSA-N 0 3 273.336 2.044 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H](C)OC ZINC000812807701 632587009 /nfs/dbraw/zinc/58/70/09/632587009.db2.gz ICRBTQCTTOEZFR-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@@H](C)OC ZINC000812807701 632587011 /nfs/dbraw/zinc/58/70/11/632587011.db2.gz ICRBTQCTTOEZFR-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H]2COC)c([O-])c1 ZINC000816637288 633453538 /nfs/dbraw/zinc/45/35/38/633453538.db2.gz YXEOFIWWKAXDGJ-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H]2COC)c([O-])c1 ZINC000816637288 633453544 /nfs/dbraw/zinc/45/35/44/633453544.db2.gz YXEOFIWWKAXDGJ-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(CN2CC[C@H]2COC)c(O)c1 ZINC000816637288 633453550 /nfs/dbraw/zinc/45/35/50/633453550.db2.gz YXEOFIWWKAXDGJ-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CN1CCC[C@@H]1C[N@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000817372161 633643261 /nfs/dbraw/zinc/64/32/61/633643261.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN CN1CCC[C@@H]1C[N@@H+](C)Cc1c([O-])ccc2ccncc21 ZINC000817372161 633643266 /nfs/dbraw/zinc/64/32/66/633643266.db2.gz HGQMNKZJHJWPNK-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000817585190 633702050 /nfs/dbraw/zinc/70/20/50/633702050.db2.gz CCEIJCUDHNQXCE-LLVKDONJSA-N 0 3 262.353 2.007 20 10 CECDHN C[C@H](N[C@H]1CC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817945028 633792681 /nfs/dbraw/zinc/79/26/81/633792681.db2.gz RPVJAUBGMIGLKJ-WPRPVWTQSA-N 0 3 285.185 2.167 20 10 CECDHN CCN1CCC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000903391975 635088706 /nfs/dbraw/zinc/08/87/06/635088706.db2.gz KDVIAXXSSDKXAP-CJNGLKHVSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1cc([O-])c(CN2CCO[C@@H](C[NH+](C)C)C2)cc1Cl ZINC000824478689 635435101 /nfs/dbraw/zinc/43/51/01/635435101.db2.gz NZPLAEUKEYNTGO-ZDUSSCGKSA-N 0 3 298.814 2.116 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1OC)c1ccccc1[O-] ZINC000824710227 635482808 /nfs/dbraw/zinc/48/28/08/635482808.db2.gz VZSZYXYHEUFOTF-IVMMDQJWSA-N 0 3 279.380 2.484 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824846452 635510788 /nfs/dbraw/zinc/51/07/88/635510788.db2.gz SHFFLVDDQXTLDH-PBHICJAKSA-N 0 3 291.391 2.288 20 10 CECDHN Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(C)C)c1 ZINC000827167263 636244409 /nfs/dbraw/zinc/24/44/09/636244409.db2.gz OXOQGQOUPUXTGX-CQSZACIVSA-N 0 3 276.380 2.190 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876509529 650296071 /nfs/dbraw/zinc/29/60/71/650296071.db2.gz IIIBZNGZHCYIER-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876509529 650296077 /nfs/dbraw/zinc/29/60/77/650296077.db2.gz IIIBZNGZHCYIER-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876556407 650325070 /nfs/dbraw/zinc/32/50/70/650325070.db2.gz QLUPRNLYWAQEQI-CYBMUJFWSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876556407 650325071 /nfs/dbraw/zinc/32/50/71/650325071.db2.gz QLUPRNLYWAQEQI-CYBMUJFWSA-N 0 3 263.337 2.086 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)c1ccco1)CC2 ZINC000834502161 637849204 /nfs/dbraw/zinc/84/92/04/637849204.db2.gz NFZGTMGAVHOWCU-AAEUAGOBSA-N 0 3 259.305 2.296 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834559116 637866190 /nfs/dbraw/zinc/86/61/90/637866190.db2.gz ZPJYWGFEJRMOBR-STQMWFEESA-N 0 3 290.363 2.200 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834562670 637868082 /nfs/dbraw/zinc/86/80/82/637868082.db2.gz UYGPOJZGWYVXJM-LSDHHAIUSA-N 0 3 290.407 2.080 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)CC2 ZINC000834598996 637886242 /nfs/dbraw/zinc/88/62/42/637886242.db2.gz URDUCYUQKGKFAV-ZFWWWQNUSA-N 0 3 291.391 2.412 20 10 CECDHN C[C@@H]1CCCN1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834607292 637888630 /nfs/dbraw/zinc/88/86/30/637888630.db2.gz SOAICJUTTUJCBC-OCCSQVGLSA-N 0 3 260.381 2.453 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834765507 637944047 /nfs/dbraw/zinc/94/40/47/637944047.db2.gz NBSPOJUAWHELPH-GZBFAFLISA-N 0 3 277.364 2.163 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCn3ccnc3C1)CC2 ZINC000834773552 637947071 /nfs/dbraw/zinc/94/70/71/637947071.db2.gz GUVVNMXSTVWCBF-QWHCGFSZSA-N 0 3 269.348 2.181 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1cc(F)ccc1[O-] ZINC000834849993 637970734 /nfs/dbraw/zinc/97/07/34/637970734.db2.gz ICRSLOXTMRWXTK-GXTWGEPZSA-N 0 3 296.386 2.029 20 10 CECDHN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834880486 637977202 /nfs/dbraw/zinc/97/72/02/637977202.db2.gz FWTIHGWCBOWIKO-VNHYZAJKSA-N 0 3 277.364 2.021 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000834907814 637985306 /nfs/dbraw/zinc/98/53/06/637985306.db2.gz CVBYVDLLCXIJSM-XJKSGUPXSA-N 0 3 276.380 2.410 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c([O-])c1 ZINC000834910387 637986092 /nfs/dbraw/zinc/98/60/92/637986092.db2.gz WTMYTROICJGWRQ-ABAIWWIYSA-N 0 3 262.353 2.020 20 10 CECDHN CC[C@H](N[C@@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913060 637987349 /nfs/dbraw/zinc/98/73/49/637987349.db2.gz OESIEUYTTBTVGD-WFASDCNBSA-N 0 3 277.412 2.318 20 10 CECDHN COC(=O)[C@@H]1CCN(C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835026668 638030419 /nfs/dbraw/zinc/03/04/19/638030419.db2.gz ZNQYMTYFASCBQE-MBVDDHJVSA-N 0 3 288.391 2.261 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044563 638036762 /nfs/dbraw/zinc/03/67/62/638036762.db2.gz MCTZHOGYEZIRFW-BWPKMQGJSA-N 0 3 299.418 2.119 20 10 CECDHN CC(=O)OC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876738760 650414439 /nfs/dbraw/zinc/41/44/39/650414439.db2.gz ACNDLFWNZWLKIT-UHFFFAOYSA-N 0 3 263.337 2.228 20 10 CECDHN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000876815240 650443745 /nfs/dbraw/zinc/44/37/45/650443745.db2.gz OPMWTMXSIUCCPD-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000876815240 650443746 /nfs/dbraw/zinc/44/37/46/650443746.db2.gz OPMWTMXSIUCCPD-CQSZACIVSA-N 0 3 276.380 2.001 20 10 CECDHN CCC[C@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612321 639555487 /nfs/dbraw/zinc/55/54/87/639555487.db2.gz UKCCKZYSQLQKRX-LLVKDONJSA-N 0 3 255.333 2.420 20 10 CECDHN CC(C)NC(=O)[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000840974263 639605845 /nfs/dbraw/zinc/60/58/45/639605845.db2.gz DAMJFILECDFOGU-LMVHVUTASA-N 0 3 289.423 2.269 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+]C[C@H]1CCCCN1 ZINC000841032955 639625172 /nfs/dbraw/zinc/62/51/72/639625172.db2.gz KRBCJSJXVNNPNO-LLVKDONJSA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(Cl)cccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032955 639625177 /nfs/dbraw/zinc/62/51/77/639625177.db2.gz KRBCJSJXVNNPNO-LLVKDONJSA-N 0 3 254.761 2.277 20 10 CECDHN Cc1cc([O-])c(CNC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000841037078 639627516 /nfs/dbraw/zinc/62/75/16/639627516.db2.gz YKCOBFUEQXQJTF-JTQLQIEISA-N 0 3 254.761 2.196 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000228671149 639651817 /nfs/dbraw/zinc/65/18/17/639651817.db2.gz YMQJTOCHLFPKII-VIFPVBQESA-N 0 3 271.744 2.180 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@H](C[NH3+])C2)c1[O-] ZINC000842478597 640077663 /nfs/dbraw/zinc/07/76/63/640077663.db2.gz LDCOACARPABGLJ-GXFFZTMASA-N 0 3 294.370 2.151 20 10 CECDHN Cc1ccc([C@H](O)C[NH2+]Cc2ccc(C)cc2[O-])o1 ZINC000877060233 650553755 /nfs/dbraw/zinc/55/37/55/650553755.db2.gz VQPUUWLPWXOIGV-CQSZACIVSA-N 0 3 261.321 2.425 20 10 CECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CO)cc1 ZINC000842732124 640162482 /nfs/dbraw/zinc/16/24/82/640162482.db2.gz IKUIOTGXTICAKQ-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(N(C)C)CCSC1 ZINC000877074420 650560410 /nfs/dbraw/zinc/56/04/10/650560410.db2.gz JKTCMFNEGHIBJN-OAHLLOKOSA-N 0 3 280.437 2.228 20 10 CECDHN C[C@H](C(=O)N(C)c1ccc(N)cc1)N1CCCCCC1 ZINC000877077620 650561957 /nfs/dbraw/zinc/56/19/57/650561957.db2.gz OXPPPHSWDHJBKF-CYBMUJFWSA-N 0 3 275.396 2.496 20 10 CECDHN C[C@@]1(F)C[NH2+]CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000843125086 640292478 /nfs/dbraw/zinc/29/24/78/640292478.db2.gz NJMDXMNIVIQIRW-CYBMUJFWSA-N 0 3 272.751 2.179 20 10 CECDHN COc1cccc([C@H](C)N[C@@H](C)C(=O)NC(C)(C)C)c1O ZINC000846141266 641198917 /nfs/dbraw/zinc/19/89/17/641198917.db2.gz HEQXJJMHCBHBDA-QWRGUYRKSA-N 0 3 294.395 2.355 20 10 CECDHN CCN1C[C@H](C[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000846207826 641222167 /nfs/dbraw/zinc/22/21/67/641222167.db2.gz GHOOPGDEBHWPOF-OLZOCXBDSA-N 0 3 276.380 2.220 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183527090 641762026 /nfs/dbraw/zinc/76/20/26/641762026.db2.gz JJOAUJUPCYVZDI-MNOVXSKESA-N 0 3 255.383 2.157 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000848558279 642052439 /nfs/dbraw/zinc/05/24/39/642052439.db2.gz LCMZCQMGUZXLQE-OSQNNJELSA-N 0 3 283.343 2.067 20 10 CECDHN COc1ccc(CNC[C@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848578301 642064091 /nfs/dbraw/zinc/06/40/91/642064091.db2.gz QGLYMPZVDPHPJP-AWEZNQCLSA-N 0 3 290.363 2.076 20 10 CECDHN CCc1cccc(CN2CCN(C(C)=O)CC2(C)C)c1O ZINC000848900178 642178896 /nfs/dbraw/zinc/17/88/96/642178896.db2.gz CIYVEIVZERPCSR-UHFFFAOYSA-N 0 3 290.407 2.397 20 10 CECDHN COc1ccc(CNCc2cnc(Cl)n2C)c(O)c1 ZINC000848908602 642185090 /nfs/dbraw/zinc/18/50/90/642185090.db2.gz YTCYBRQGPQAURM-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnc(Cl)n2C)c([O-])c1 ZINC000848908602 642185092 /nfs/dbraw/zinc/18/50/92/642185092.db2.gz YTCYBRQGPQAURM-UHFFFAOYSA-N 0 3 281.743 2.078 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000186185455 642310155 /nfs/dbraw/zinc/31/01/55/642310155.db2.gz JCJYWDJYYXNYGW-LBPRGKRZSA-N 0 3 297.420 2.176 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000850379383 642690999 /nfs/dbraw/zinc/69/09/99/642690999.db2.gz NGDWCYLAYXDALV-VXGBXAGGSA-N 0 3 265.353 2.448 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000877544416 650779273 /nfs/dbraw/zinc/77/92/73/650779273.db2.gz PJBZGTJFOXUHTF-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c([O-])c1 ZINC000877544416 650779275 /nfs/dbraw/zinc/77/92/75/650779275.db2.gz PJBZGTJFOXUHTF-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000850485101 642729138 /nfs/dbraw/zinc/72/91/38/642729138.db2.gz XESFUPZXZCFOKE-UEKVPHQBSA-N 0 3 283.343 2.233 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000850577580 642756146 /nfs/dbraw/zinc/75/61/46/642756146.db2.gz ANMUZPOEPFPZJQ-TURQNECASA-N 0 3 251.301 2.193 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c([O-])c1 ZINC000877553588 650784241 /nfs/dbraw/zinc/78/42/41/650784241.db2.gz AUHBTSYNTCHHAL-DLBZAZTESA-N 0 3 291.391 2.110 20 10 CECDHN Cc1ccc(C[NH2+]CCc2cnc(C)cn2)c([O-])c1 ZINC000877577774 650797553 /nfs/dbraw/zinc/79/75/53/650797553.db2.gz JHORUBANXTUQFS-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(CC)C1=O ZINC000851792411 643164563 /nfs/dbraw/zinc/16/45/63/643164563.db2.gz OGEPNHIDFLPZJM-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(CC)C1=O ZINC000851792411 643164566 /nfs/dbraw/zinc/16/45/66/643164566.db2.gz OGEPNHIDFLPZJM-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c([O-])c1 ZINC000877623014 650819044 /nfs/dbraw/zinc/81/90/44/650819044.db2.gz GVLJGIJCHPXWLG-PJIJBLCYSA-N 0 3 281.421 2.480 20 10 CECDHN CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000877674604 650845546 /nfs/dbraw/zinc/84/55/46/650845546.db2.gz NBPCREXTLZBXNW-AWEZNQCLSA-N 0 3 280.343 2.022 20 10 CECDHN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000877674604 650845550 /nfs/dbraw/zinc/84/55/50/650845550.db2.gz NBPCREXTLZBXNW-AWEZNQCLSA-N 0 3 280.343 2.022 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)c([O-])c1 ZINC000877681032 650846395 /nfs/dbraw/zinc/84/63/95/650846395.db2.gz COSAGMUZOMSIGN-XNHWPECASA-N 0 3 259.349 2.214 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)C[C@H]2C[NH3+])c1[O-] ZINC000852758910 643540846 /nfs/dbraw/zinc/54/08/46/643540846.db2.gz HBEJUBGINOOHFJ-YGRLFVJLSA-N 0 3 294.370 2.293 20 10 CECDHN CCOC(=O)CC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000838921403 644069769 /nfs/dbraw/zinc/06/97/69/644069769.db2.gz AOLOYCYGLDZPOF-UHFFFAOYSA-N 0 3 265.353 2.461 20 10 CECDHN C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758114 650900330 /nfs/dbraw/zinc/90/03/30/650900330.db2.gz JNEJWZZLYUNATF-AGIUHOORSA-N 0 3 276.380 2.490 20 10 CECDHN CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000855162523 644261579 /nfs/dbraw/zinc/26/15/79/644261579.db2.gz XVZHZJGLCGAHLS-SNVBAGLBSA-N 0 3 282.409 2.304 20 10 CECDHN CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000855162523 644261580 /nfs/dbraw/zinc/26/15/80/644261580.db2.gz XVZHZJGLCGAHLS-SNVBAGLBSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000756372201 644637206 /nfs/dbraw/zinc/63/72/06/644637206.db2.gz PJHWJMILHSPFJP-CABZTGNLSA-N 0 3 292.354 2.195 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2[O-] ZINC000756638140 644676995 /nfs/dbraw/zinc/67/69/95/644676995.db2.gz RSXCFCWHAIGNDF-GXSJLCMTSA-N 0 3 265.328 2.442 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756768099 644690254 /nfs/dbraw/zinc/69/02/54/644690254.db2.gz JKRBQEIVVNALIN-FXPVBKGRSA-N 0 3 251.301 2.458 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756780237 644691699 /nfs/dbraw/zinc/69/16/99/644691699.db2.gz XSJQCOYRFFDSGM-UMNHJUIQSA-N 0 3 283.343 2.067 20 10 CECDHN CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000757440876 644782205 /nfs/dbraw/zinc/78/22/05/644782205.db2.gz ZYRLZIHBOTVWDQ-NSHDSACASA-N 0 3 282.409 2.161 20 10 CECDHN CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000757440876 644782214 /nfs/dbraw/zinc/78/22/14/644782214.db2.gz ZYRLZIHBOTVWDQ-NSHDSACASA-N 0 3 282.409 2.161 20 10 CECDHN CC[C@](C)(CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858122906 645068785 /nfs/dbraw/zinc/06/87/85/645068785.db2.gz UCAQIGIUJPJBRS-CQSZACIVSA-N 0 3 272.339 2.281 20 10 CECDHN CC(C)[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858139349 645073284 /nfs/dbraw/zinc/07/32/84/645073284.db2.gz RTWAZISSUVLHDJ-CQSZACIVSA-N 0 3 272.339 2.137 20 10 CECDHN OCc1cc(NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000858361667 645131747 /nfs/dbraw/zinc/13/17/47/645131747.db2.gz YELWIZRMOTXMIM-UHFFFAOYSA-N 0 3 299.374 2.023 20 10 CECDHN CN(C)c1ccc(CNc2ccnc(CO)c2)cc1F ZINC000858374137 645135757 /nfs/dbraw/zinc/13/57/57/645135757.db2.gz VVOCAWKOVOSLBJ-UHFFFAOYSA-N 0 3 275.327 2.391 20 10 CECDHN CC[C@@H](N[C@@H](CO)c1ccnn1C)c1ccc(C)cc1O ZINC000858435138 645158193 /nfs/dbraw/zinc/15/81/93/645158193.db2.gz WZJSMKNUUHLJHB-KGLIPLIRSA-N 0 3 289.379 2.208 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878151874 651014941 /nfs/dbraw/zinc/01/49/41/651014941.db2.gz REICNIFAZHSCGJ-CQSZACIVSA-N 0 3 286.379 2.383 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCc2ncnn21 ZINC000878151874 651014942 /nfs/dbraw/zinc/01/49/42/651014942.db2.gz REICNIFAZHSCGJ-CQSZACIVSA-N 0 3 286.379 2.383 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768444582 646123467 /nfs/dbraw/zinc/12/34/67/646123467.db2.gz MNJANGOANKXSCW-ABAIWWIYSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768444582 646123471 /nfs/dbraw/zinc/12/34/71/646123471.db2.gz MNJANGOANKXSCW-ABAIWWIYSA-N 0 3 277.364 2.440 20 10 CECDHN CC(C)OCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768449504 646124837 /nfs/dbraw/zinc/12/48/37/646124837.db2.gz ZWJZDNIZUXQDBP-HNNXBMFYSA-N 0 3 295.379 2.065 20 10 CECDHN CC(C)OCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768449504 646124841 /nfs/dbraw/zinc/12/48/41/646124841.db2.gz ZWJZDNIZUXQDBP-HNNXBMFYSA-N 0 3 295.379 2.065 20 10 CECDHN CC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464197 646126308 /nfs/dbraw/zinc/12/63/08/646126308.db2.gz ODTCSGVSHMRFQT-QMTHXVAHSA-N 0 3 263.337 2.050 20 10 CECDHN CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464197 646126312 /nfs/dbraw/zinc/12/63/12/646126312.db2.gz ODTCSGVSHMRFQT-QMTHXVAHSA-N 0 3 263.337 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(CCC3)C1)[C@@H](O)CO2 ZINC000768463330 646126884 /nfs/dbraw/zinc/12/68/84/646126884.db2.gz HAZWBFNNGRJTBO-AWEZNQCLSA-N 0 3 275.348 2.194 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(CCC3)C1)[C@@H](O)CO2 ZINC000768463330 646126885 /nfs/dbraw/zinc/12/68/85/646126885.db2.gz HAZWBFNNGRJTBO-AWEZNQCLSA-N 0 3 275.348 2.194 20 10 CECDHN CCOc1ccc(C[N@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC000769247454 646229846 /nfs/dbraw/zinc/22/98/46/646229846.db2.gz ZGNTYFOUXGSWAV-UHFFFAOYSA-N 0 3 291.351 2.157 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CCc2noc(C)n2)c([O-])c1 ZINC000769247454 646229847 /nfs/dbraw/zinc/22/98/47/646229847.db2.gz ZGNTYFOUXGSWAV-UHFFFAOYSA-N 0 3 291.351 2.157 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769517202 646281305 /nfs/dbraw/zinc/28/13/05/646281305.db2.gz ZXLJKGMAUNJUFW-QWHCGFSZSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000769517202 646281312 /nfs/dbraw/zinc/28/13/12/646281312.db2.gz ZXLJKGMAUNJUFW-QWHCGFSZSA-N 0 3 277.364 2.259 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000769937165 646336861 /nfs/dbraw/zinc/33/68/61/646336861.db2.gz NJBJYWJGKHXANV-LQPUYASZSA-N 0 3 265.353 2.208 20 10 CECDHN Cc1ccc(C(=O)OCCN2CCCCC2)c(O)c1O ZINC000770360313 646382721 /nfs/dbraw/zinc/38/27/21/646382721.db2.gz SFVMFDYDIXLELS-UHFFFAOYSA-N 0 3 279.336 2.049 20 10 CECDHN CCN(C)c1ccc(CN(C)C2(C(N)=O)CCCC2)cc1 ZINC000773808125 646776637 /nfs/dbraw/zinc/77/66/37/646776637.db2.gz ZYXHJOKILZWMGT-UHFFFAOYSA-N 0 3 289.423 2.373 20 10 CECDHN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000775136650 646926091 /nfs/dbraw/zinc/92/60/91/646926091.db2.gz NFSDTXZQOZPRAP-STQMWFEESA-N 0 3 265.353 2.238 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000779100381 647288234 /nfs/dbraw/zinc/28/82/34/647288234.db2.gz PKSVZLMCFCPGEL-OAHLLOKOSA-N 0 3 293.313 2.364 20 10 CECDHN CN(C)c1ccc(CNCc2ccc(=O)[nH]c2)cc1F ZINC000865437189 647292132 /nfs/dbraw/zinc/29/21/32/647292132.db2.gz CFVAMSYITRFORU-UHFFFAOYSA-N 0 3 275.327 2.282 20 10 CECDHN COc1ccc(O)c(CNCc2cncc(OC)c2C)c1 ZINC000865464058 647306515 /nfs/dbraw/zinc/30/65/15/647306515.db2.gz RGIISUVGBDQEEU-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN CCOc1cccc(CN[C@H](C)c2ccnn2C)c1O ZINC000865838953 647485861 /nfs/dbraw/zinc/48/58/61/647485861.db2.gz DXGNRLLCCFZSIO-LLVKDONJSA-N 0 3 275.352 2.375 20 10 CECDHN CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000783317501 647708243 /nfs/dbraw/zinc/70/82/43/647708243.db2.gz SXLLIYFCAQYRFV-ATZCPNFKSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000840826178 647716983 /nfs/dbraw/zinc/71/69/83/647716983.db2.gz RYEILTMQNIMCPC-CKYFFXLPSA-N 0 3 292.354 2.195 20 10 CECDHN CC[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000121095812 647812186 /nfs/dbraw/zinc/81/21/86/647812186.db2.gz XMUGRPADFOTJNX-AWEZNQCLSA-N 0 3 297.420 2.258 20 10 CECDHN C[NH+](C)C1(C)CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000871360330 649071300 /nfs/dbraw/zinc/07/13/00/649071300.db2.gz AEIQYVDKLFGSNZ-UHFFFAOYSA-N 0 3 282.409 2.446 20 10 CECDHN CCCN(Cc1cnc(N)cn1)Cc1ccccc1O ZINC000873205238 649587780 /nfs/dbraw/zinc/58/77/80/649587780.db2.gz LWUDHIMYZMRKDU-UHFFFAOYSA-N 0 3 272.352 2.177 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)c1ccccc1[O-] ZINC000879648965 651335199 /nfs/dbraw/zinc/33/51/99/651335199.db2.gz HQTIRXZHCYGWGO-NEPJUHHUSA-N 0 3 276.380 2.490 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccccc1[O-] ZINC000879649760 651335212 /nfs/dbraw/zinc/33/52/12/651335212.db2.gz UIEAFOHSQYRUNF-CYBMUJFWSA-N 0 3 276.380 2.301 20 10 CECDHN CC(C)N(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648592 651335391 /nfs/dbraw/zinc/33/53/91/651335391.db2.gz VHFIKXJMSCHBCZ-NEPJUHHUSA-N 0 3 264.369 2.298 20 10 CECDHN Cc1cc(CN(C)[C@@H](CC(C)C)C(N)=O)ccc1N(C)C ZINC000880591181 651466830 /nfs/dbraw/zinc/46/68/30/651466830.db2.gz APMRXTFZGGKDLB-INIZCTEOSA-N 0 3 291.439 2.393 20 10 CECDHN CN(C)c1ccc(CNCc2ccncc2N)cc1 ZINC000882881104 652246978 /nfs/dbraw/zinc/24/69/78/652246978.db2.gz XZIANAOFOPZNPW-UHFFFAOYSA-N 0 3 256.353 2.020 20 10 CECDHN COc1cccc2c1CC[C@]2(CO)[NH2+]Cc1ccccc1[O-] ZINC000883324483 652432838 /nfs/dbraw/zinc/43/28/38/652432838.db2.gz UOMWATSGIOHNGE-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN C[NH2+]C[C@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000883448791 652473218 /nfs/dbraw/zinc/47/32/18/652473218.db2.gz QZYJYCBMJWWGEE-CQSZACIVSA-N 0 3 294.370 2.308 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@H](C)C(=O)NCC(C)C)c1 ZINC000135727311 652983840 /nfs/dbraw/zinc/98/38/40/652983840.db2.gz SPCHUVYPIXIMSN-NWDGAFQWSA-N 0 3 294.395 2.212 20 10 CECDHN COCCCCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140056114 802547784 /nfs/dbraw/zinc/54/77/84/802547784.db2.gz IMIAFCNVVMIWJU-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN CN(Cc1c([O-])cccc1Br)C[C@@H]1CCC[NH2+]1 ZINC000706867278 802846710 /nfs/dbraw/zinc/84/67/10/802846710.db2.gz YYGSDNWXLSSUBO-JTQLQIEISA-N 0 3 299.212 2.339 20 10 CECDHN CN(Cc1ccccc1O)C(=O)C1(N)CC2(CCC2)C1 ZINC000694660954 803577951 /nfs/dbraw/zinc/57/79/51/803577951.db2.gz JHFVIVQMZSDISX-UHFFFAOYSA-N 0 3 274.364 2.012 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235986764 807906877 /nfs/dbraw/zinc/90/68/77/807906877.db2.gz CXTXWMIRRGIPQA-FZMZJTMJSA-N 0 3 266.772 2.277 20 10 CECDHN CCC1([NH3+])CN(Cc2cc(Br)ccc2[O-])C1 ZINC001236185191 808008810 /nfs/dbraw/zinc/00/88/10/808008810.db2.gz ABRYPMFSXCBLLF-UHFFFAOYSA-N 0 3 285.185 2.078 20 10 CECDHN O=C1N(c2ccccc2)CC12CN(Cc1ccccc1O)C2 ZINC001203557147 808700393 /nfs/dbraw/zinc/70/03/93/808700393.db2.gz ZWMUZHCQNQUPGI-UHFFFAOYSA-N 0 3 294.354 2.241 20 10 CECDHN CC(C)N1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000700782529 809348772 /nfs/dbraw/zinc/34/87/72/809348772.db2.gz OMDQMQTVRZIUPL-NSHDSACASA-N 0 3 284.350 2.490 20 10 CECDHN CC(C)[N@@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000700782529 809348779 /nfs/dbraw/zinc/34/87/79/809348779.db2.gz OMDQMQTVRZIUPL-NSHDSACASA-N 0 3 284.350 2.490 20 10 CECDHN CC(C)[N@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2[O-])C1 ZINC000700782529 809348786 /nfs/dbraw/zinc/34/87/86/809348786.db2.gz OMDQMQTVRZIUPL-NSHDSACASA-N 0 3 284.350 2.490 20 10 CECDHN CN(C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504196 809652282 /nfs/dbraw/zinc/65/22/82/809652282.db2.gz XGJUIYQAFJCIGP-JTQLQIEISA-N 0 3 270.323 2.054 20 10 CECDHN CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504196 809652284 /nfs/dbraw/zinc/65/22/84/809652284.db2.gz XGJUIYQAFJCIGP-JTQLQIEISA-N 0 3 270.323 2.054 20 10 CECDHN CN(CCC[NH+](C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703616955 809670741 /nfs/dbraw/zinc/67/07/41/809670741.db2.gz LBLBDNMHFREYMW-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN [O-]c1cccc2c1C[N@@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172242848 815356360 /nfs/dbraw/zinc/35/63/60/815356360.db2.gz DGAHTELYMBBYIA-AGUYFDCRSA-N 0 3 257.333 2.236 20 10 CECDHN [O-]c1cccc2c1C[N@H+](C1C[C@@H]3C=C[C@H](C1)O3)CC2 ZINC001172242848 815356367 /nfs/dbraw/zinc/35/63/67/815356367.db2.gz DGAHTELYMBBYIA-AGUYFDCRSA-N 0 3 257.333 2.236 20 10 CECDHN CC1(C)C[C@H](N2CCCc3cc(O)c(O)cc3C2)CO1 ZINC001172293864 815385740 /nfs/dbraw/zinc/38/57/40/815385740.db2.gz SXGIBIOMRAQCDW-ZDUSSCGKSA-N 0 3 277.364 2.414 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168982084 811310416 /nfs/dbraw/zinc/31/04/16/811310416.db2.gz IKVJRLGUQSKPPG-IJLUTSLNSA-N 0 3 264.325 2.488 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC001169483906 811529133 /nfs/dbraw/zinc/52/91/33/811529133.db2.gz HFXXJBIBWDHNCG-CYBMUJFWSA-N 0 3 278.396 2.471 20 10 CECDHN CCN(CC)C(=O)C[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC001169483906 811529134 /nfs/dbraw/zinc/52/91/34/811529134.db2.gz HFXXJBIBWDHNCG-CYBMUJFWSA-N 0 3 278.396 2.471 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001170559625 812667979 /nfs/dbraw/zinc/66/79/79/812667979.db2.gz CJGMKNLEZMCNFC-YPMHNXCESA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001170559625 812667984 /nfs/dbraw/zinc/66/79/84/812667984.db2.gz CJGMKNLEZMCNFC-YPMHNXCESA-N 0 3 263.337 2.166 20 10 CECDHN CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001172924076 815546112 /nfs/dbraw/zinc/54/61/12/815546112.db2.gz REIQKYWBIPHPQS-NEPJUHHUSA-N 0 3 251.326 2.145 20 10 CECDHN COCC(COC)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000388509846 813240154 /nfs/dbraw/zinc/24/01/54/813240154.db2.gz QKLHJSDKAYPKBC-LBPRGKRZSA-N 0 3 266.385 2.065 20 10 CECDHN C[C@H](N[C@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673900 814874337 /nfs/dbraw/zinc/87/43/37/814874337.db2.gz QICMWGHIJBCKBL-LRDDRELGSA-N 0 3 287.407 2.167 20 10 CECDHN CN1C[C@@H]2CCC[N@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137838900 815695798 /nfs/dbraw/zinc/69/57/98/815695798.db2.gz MEERLONKGVDFAF-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CN1C[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3F)[C@@H]2C1 ZINC001137838900 815695804 /nfs/dbraw/zinc/69/58/04/815695804.db2.gz MEERLONKGVDFAF-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN Cc1c(CN2CC[C@H]3CNC(=O)[C@H]3C2)c2ccccc2n1C ZINC001138258050 815755938 /nfs/dbraw/zinc/75/59/38/815755938.db2.gz JMDCHHKAVMSMKY-BBRMVZONSA-N 0 3 297.402 2.055 20 10 CECDHN CCN(CC)c1ccc(CN2CCC(O)CC2)c(OC)c1 ZINC001138387786 815786935 /nfs/dbraw/zinc/78/69/35/815786935.db2.gz LFGZUOMUAMPGQC-UHFFFAOYSA-N 0 3 292.423 2.498 20 10 CECDHN C[N@H+](Cc1ccc(OCCO)cc1)Cc1ccccc1[O-] ZINC001138797093 815903922 /nfs/dbraw/zinc/90/39/22/815903922.db2.gz ZMIKSAHFVURSOL-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN C[N@@H+](Cc1ccc(OCCO)cc1)Cc1ccccc1[O-] ZINC001138797093 815903929 /nfs/dbraw/zinc/90/39/29/815903929.db2.gz ZMIKSAHFVURSOL-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN CN1CC2(C1)CC[NH+](Cc1c([O-])cc(F)cc1F)CC2 ZINC001140584144 816293142 /nfs/dbraw/zinc/29/31/42/816293142.db2.gz GCIHXCBAIAWYSX-UHFFFAOYSA-N 0 3 282.334 2.198 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@@H]1O ZINC001140921456 816411253 /nfs/dbraw/zinc/41/12/53/816411253.db2.gz DMVDHQTUXVFKIU-HZMBPMFUSA-N 0 3 268.788 2.219 20 10 CECDHN COC(=O)CC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140951123 816423490 /nfs/dbraw/zinc/42/34/90/816423490.db2.gz ZRRHXCDGFHLDBN-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)CC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140951123 816423500 /nfs/dbraw/zinc/42/35/00/816423500.db2.gz ZRRHXCDGFHLDBN-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC001141030610 816450402 /nfs/dbraw/zinc/45/04/02/816450402.db2.gz DKIDWPVTVDAVEH-SNVBAGLBSA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)C2)c(OC)c1 ZINC001141030610 816450403 /nfs/dbraw/zinc/45/04/03/816450403.db2.gz DKIDWPVTVDAVEH-SNVBAGLBSA-N 0 3 251.326 2.251 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@H](Oc3cccnc3)C2)c1 ZINC001141158564 816490882 /nfs/dbraw/zinc/49/08/82/816490882.db2.gz FACZJQJXIRNZAP-HNNXBMFYSA-N 0 3 286.331 2.146 20 10 CECDHN CCOc1cccc(C[NH2+]C2CCOCC2)c1[O-] ZINC000036319437 361841294 /nfs/dbraw/zinc/84/12/94/361841294.db2.gz DPROLRRFHDIWFC-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN CC[C@H](C)NC(=O)CCNCc1ccc2c(c1)CCO2 ZINC000038014258 361981461 /nfs/dbraw/zinc/98/14/61/361981461.db2.gz ZAKCBQDWCCDLGR-LBPRGKRZSA-N 0 3 276.380 2.016 20 10 CECDHN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1[O-] ZINC000179885056 368356117 /nfs/dbraw/zinc/35/61/17/368356117.db2.gz VPTBCHOUTHXVDG-GFCCVEGCSA-N 0 3 259.353 2.409 20 10 CECDHN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000179895950 368356884 /nfs/dbraw/zinc/35/68/84/368356884.db2.gz SEODMLLVZASLGJ-WCQYABFASA-N 0 3 262.353 2.052 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]2CC(=O)OC)c1[O-] ZINC000179891241 368357380 /nfs/dbraw/zinc/35/73/80/368357380.db2.gz SMQGFBAAOGQFCL-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H]2CC(=O)OC)c1[O-] ZINC000179891241 368357381 /nfs/dbraw/zinc/35/73/81/368357381.db2.gz SMQGFBAAOGQFCL-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CN1CCC[C@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000179938717 368360431 /nfs/dbraw/zinc/36/04/31/368360431.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 0 3 266.360 2.305 20 10 CECDHN CN1CCC[C@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000179938717 368360434 /nfs/dbraw/zinc/36/04/34/368360434.db2.gz QBDLKILEQXGTSS-LBPRGKRZSA-N 0 3 266.360 2.305 20 10 CECDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180220024 368373320 /nfs/dbraw/zinc/37/33/20/368373320.db2.gz KCPFOICPFMELGA-LLVKDONJSA-N 0 3 296.798 2.312 20 10 CECDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180220024 368373324 /nfs/dbraw/zinc/37/33/24/368373324.db2.gz KCPFOICPFMELGA-LLVKDONJSA-N 0 3 296.798 2.312 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@]1(O)CCc2ccccc21 ZINC000180849404 368399120 /nfs/dbraw/zinc/39/91/20/368399120.db2.gz PILDVKYLVYQOGD-KRWDZBQOSA-N 0 3 287.334 2.455 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000180700923 368393592 /nfs/dbraw/zinc/39/35/92/368393592.db2.gz FRMZVGRFCXCLKT-YPMHNXCESA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)cc1OC ZINC000180700923 368393595 /nfs/dbraw/zinc/39/35/95/368393595.db2.gz FRMZVGRFCXCLKT-YPMHNXCESA-N 0 3 295.379 2.002 20 10 CECDHN COCCCN(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183531186 368630921 /nfs/dbraw/zinc/63/09/21/368630921.db2.gz DXVHRBXYOAEKHA-CYBMUJFWSA-N 0 3 266.385 2.011 20 10 CECDHN CO[C@@H](C)CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000188107062 369297338 /nfs/dbraw/zinc/29/73/38/369297338.db2.gz MTIOLXGPGOMBSG-QWHCGFSZSA-N 0 3 296.386 2.348 20 10 CECDHN Cc1cccc(C[C@H](CO)[NH2+]Cc2ccccc2[O-])c1 ZINC000189017261 369443740 /nfs/dbraw/zinc/44/37/40/369443740.db2.gz CALVMWRCGSQHGB-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCOCC(F)F)cc1C ZINC000190897222 369659185 /nfs/dbraw/zinc/65/91/85/369659185.db2.gz BTPNPPDUPYCULP-UHFFFAOYSA-N 0 3 259.296 2.380 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000191674013 369732292 /nfs/dbraw/zinc/73/22/92/369732292.db2.gz OLLPWFIICXHRQE-ZLDLUXBVSA-N 0 3 275.348 2.166 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000249194522 371304712 /nfs/dbraw/zinc/30/47/12/371304712.db2.gz AUVCDYRXAOSFBO-LZWOXQAQSA-N 0 3 277.364 2.448 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1[O-] ZINC000364354471 372736653 /nfs/dbraw/zinc/73/66/53/372736653.db2.gz OXZZLEKXNAPWTO-MYZSUADSSA-N 0 3 288.391 2.442 20 10 CECDHN Cc1cc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)cc1C ZINC000366245217 373013938 /nfs/dbraw/zinc/01/39/38/373013938.db2.gz BCOYYRKMBZQISC-CYBMUJFWSA-N 0 3 261.365 2.477 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366489496 373067678 /nfs/dbraw/zinc/06/76/78/373067678.db2.gz POGFJUPFLHSUOD-WMLDXEAASA-N 0 3 291.391 2.471 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271261152 373185400 /nfs/dbraw/zinc/18/54/00/373185400.db2.gz IPYIJNQLLIDNJM-CMPLNLGQSA-N 0 3 275.270 2.280 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000271261152 373185401 /nfs/dbraw/zinc/18/54/01/373185401.db2.gz IPYIJNQLLIDNJM-CMPLNLGQSA-N 0 3 275.270 2.280 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000271315510 373186193 /nfs/dbraw/zinc/18/61/93/373186193.db2.gz XLSMQLXVARTJOZ-WCQYABFASA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@@H]([NH2+]CCS(=O)(=O)C(C)C)c1ccccc1[O-] ZINC000271664723 373198536 /nfs/dbraw/zinc/19/85/36/373198536.db2.gz FANJOSMXZSPXSE-CYBMUJFWSA-N 0 3 285.409 2.256 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000272065737 373289573 /nfs/dbraw/zinc/28/95/73/373289573.db2.gz IRSYNCMFXMCIKL-UHFFFAOYSA-N 0 3 279.771 2.420 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000272632783 373592971 /nfs/dbraw/zinc/59/29/71/373592971.db2.gz NILHDQHRPQYXIJ-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000272632783 373592980 /nfs/dbraw/zinc/59/29/80/373592980.db2.gz NILHDQHRPQYXIJ-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1C ZINC000273447787 373757459 /nfs/dbraw/zinc/75/74/59/373757459.db2.gz FLNIGMDDPVCETR-CQSZACIVSA-N 0 3 293.407 2.449 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911882 /nfs/dbraw/zinc/91/18/82/373911882.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371526824 373911886 /nfs/dbraw/zinc/91/18/86/373911886.db2.gz FXFOSJVIYPCMQN-IJEWVQPXSA-N 0 3 290.382 2.447 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)cc1C ZINC000374544133 374595176 /nfs/dbraw/zinc/59/51/76/374595176.db2.gz DNFQJQMGFIWXMB-CQSZACIVSA-N 0 3 271.364 2.379 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[O-] ZINC000375301877 374651637 /nfs/dbraw/zinc/65/16/37/374651637.db2.gz HZDQZXIKTGVOCL-VBQJREDUSA-N 0 3 288.391 2.490 20 10 CECDHN COCC[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000281719267 375394090 /nfs/dbraw/zinc/39/40/90/375394090.db2.gz UMIBUXRSBGOTPD-IUODEOHRSA-N 0 3 293.407 2.319 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282984409 375630336 /nfs/dbraw/zinc/63/03/36/375630336.db2.gz ZVWRJXZTACDRNA-ZBFHGGJFSA-N 0 3 291.391 2.050 20 10 CECDHN CCOc1ccc(O)c(CNCc2cc(C)nn2C)c1 ZINC000283870942 375775335 /nfs/dbraw/zinc/77/53/35/375775335.db2.gz IRZAVYPMGONVEB-UHFFFAOYSA-N 0 3 275.352 2.123 20 10 CECDHN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000285451890 375838168 /nfs/dbraw/zinc/83/81/68/375838168.db2.gz JBCBZYUOXCZDBR-IUODEOHRSA-N 0 3 276.380 2.175 20 10 CECDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccccc1[O-] ZINC000285859256 375843430 /nfs/dbraw/zinc/84/34/30/375843430.db2.gz ZNQMWWXGZGIOPA-GFCCVEGCSA-N 0 3 297.420 2.400 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CCCSC1)OCO2 ZINC000288402378 376377195 /nfs/dbraw/zinc/37/71/95/376377195.db2.gz IAKIAJITWRCUHH-SNVBAGLBSA-N 0 3 281.377 2.354 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1 ZINC000289195509 376389494 /nfs/dbraw/zinc/38/94/94/376389494.db2.gz AZXKMAQSBZEMEN-NWDGAFQWSA-N 0 3 265.353 2.163 20 10 CECDHN Cc1cccc(C[NH2+]CCc2nccnc2C)c1[O-] ZINC000293547324 377621446 /nfs/dbraw/zinc/62/14/46/377621446.db2.gz DOIWXVAKUABMRZ-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](CO)C2)c([O-])c1 ZINC000294931785 378029694 /nfs/dbraw/zinc/02/96/94/378029694.db2.gz BQVCXWJFMMQSFX-OCCSQVGLSA-N 0 3 279.380 2.432 20 10 CECDHN CCN(C)C(=O)[C@@H](NCc1ccc2c(c1)CCO2)C(C)C ZINC000295001844 378034385 /nfs/dbraw/zinc/03/43/85/378034385.db2.gz IMNHYYIVGZLFJR-INIZCTEOSA-N 0 3 290.407 2.214 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000295119839 378042970 /nfs/dbraw/zinc/04/29/70/378042970.db2.gz NAWKDJDTTPYIEM-OAHLLOKOSA-N 0 3 275.323 2.225 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000294841730 378023782 /nfs/dbraw/zinc/02/37/82/378023782.db2.gz RXRYWQUENNHJCK-IUODEOHRSA-N 0 3 289.379 2.127 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC2CC2)cc1 ZINC000296486036 378549099 /nfs/dbraw/zinc/54/90/99/378549099.db2.gz QIJIFNABEPDFLB-ZDUSSCGKSA-N 0 3 289.423 2.290 20 10 CECDHN Cc1c(C[NH2+][C@@H]2CCc3cccc([O-])c32)cnn1C ZINC000296796682 378652738 /nfs/dbraw/zinc/65/27/38/378652738.db2.gz LHDSVNBVDMGRAT-CYBMUJFWSA-N 0 3 257.337 2.211 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000305190201 379679859 /nfs/dbraw/zinc/67/98/59/379679859.db2.gz UYYWZCVGZZUSCW-KRWDZBQOSA-N 0 3 269.344 2.316 20 10 CECDHN COc1ccc([O-])c(C[NH2+]Cc2cccc(CO)c2)c1 ZINC000224794563 394467705 /nfs/dbraw/zinc/46/77/05/394467705.db2.gz PUQQXJATIXCOOF-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN COc1ccc(O)c(CNCc2cccc(CO)c2)c1 ZINC000224794563 394467708 /nfs/dbraw/zinc/46/77/08/394467708.db2.gz PUQQXJATIXCOOF-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccccc1[O-] ZINC000229574309 394478219 /nfs/dbraw/zinc/47/82/19/394478219.db2.gz LNBYNHKAYCFFPL-WCQYABFASA-N 0 3 253.342 2.094 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000270478167 394735719 /nfs/dbraw/zinc/73/57/19/394735719.db2.gz IZAIDTUWBOXUBI-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN Cc1ccc(O)c(CNC[C@](C)(O)C(F)(F)F)c1 ZINC000270478167 394735722 /nfs/dbraw/zinc/73/57/22/394735722.db2.gz IZAIDTUWBOXUBI-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2cnccn2)CC1 ZINC000364415781 394899880 /nfs/dbraw/zinc/89/98/80/394899880.db2.gz MPTREODSEURFNQ-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2cnccn2)CC1 ZINC000364415781 394899883 /nfs/dbraw/zinc/89/98/83/394899883.db2.gz MPTREODSEURFNQ-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1cc(C)ccc1O ZINC000133657770 394954665 /nfs/dbraw/zinc/95/46/65/394954665.db2.gz BQRVFXZEBURRGT-UHFFFAOYSA-N 0 3 264.369 2.001 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000365680053 394931517 /nfs/dbraw/zinc/93/15/17/394931517.db2.gz RHDWTKMWMFSJOL-JKSUJKDBSA-N 0 3 291.391 2.192 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000373152006 395056239 /nfs/dbraw/zinc/05/62/39/395056239.db2.gz IEDFCDHVYTXQLM-ZBFHGGJFSA-N 0 3 277.364 2.128 20 10 CECDHN CO[C@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000174137482 395120572 /nfs/dbraw/zinc/12/05/72/395120572.db2.gz ZUGLWJSAXKVUPF-GOEBONIOSA-N 0 3 293.363 2.414 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)C2)c1[O-] ZINC000183469566 395258109 /nfs/dbraw/zinc/25/81/09/395258109.db2.gz ZNMXFBQRXIAXBD-LBPRGKRZSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)C2)c1[O-] ZINC000183469566 395258110 /nfs/dbraw/zinc/25/81/10/395258110.db2.gz ZNMXFBQRXIAXBD-LBPRGKRZSA-N 0 3 255.745 2.311 20 10 CECDHN COCCC1(C)CN(Cc2cc(OC)ccc2O)C1 ZINC000297501801 395344009 /nfs/dbraw/zinc/34/40/09/395344009.db2.gz WGNHPZCPWVMSKA-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000019965224 170946565 /nfs/dbraw/zinc/94/65/65/170946565.db2.gz JIMBPLAYVNUFCA-UHFFFAOYSA-N 0 3 278.352 2.103 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1 ZINC000020125458 171008018 /nfs/dbraw/zinc/00/80/18/171008018.db2.gz QQHRQUHIPXSMOT-GFCCVEGCSA-N 0 3 264.369 2.123 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000020137770 171025484 /nfs/dbraw/zinc/02/54/84/171025484.db2.gz SGKHITMUTPKPFQ-CYBMUJFWSA-N 0 3 271.316 2.322 20 10 CECDHN CCOC1CC([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000218986941 419463359 /nfs/dbraw/zinc/46/33/59/419463359.db2.gz LPDRIOATIRDNSW-UHFFFAOYSA-N 0 3 251.326 2.058 20 10 CECDHN C[C@@H]([NH2+]CCCn1cccn1)c1cc(F)ccc1[O-] ZINC000126309900 260349125 /nfs/dbraw/zinc/34/91/25/260349125.db2.gz XXGRSVARVKDPAV-LLVKDONJSA-N 0 3 263.316 2.469 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000156377126 261121668 /nfs/dbraw/zinc/12/16/68/261121668.db2.gz NQZLHCSBDXBHEU-GXTWGEPZSA-N 0 3 276.380 2.444 20 10 CECDHN CCOC(C)(C)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000159209724 261180860 /nfs/dbraw/zinc/18/08/60/261180860.db2.gz FXVITODDFDQWTD-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN CC(C)[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)N(C)C ZINC000160002454 261201745 /nfs/dbraw/zinc/20/17/45/261201745.db2.gz YKSYHIODDPQBHB-MRXNPFEDSA-N 0 3 291.439 2.297 20 10 CECDHN CCOC[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160349700 261211568 /nfs/dbraw/zinc/21/15/68/261211568.db2.gz MDNLEJLOZXNYSD-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160349700 261211570 /nfs/dbraw/zinc/21/15/70/261211570.db2.gz MDNLEJLOZXNYSD-GFCCVEGCSA-N 0 3 295.379 2.268 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185008470 262038171 /nfs/dbraw/zinc/03/81/71/262038171.db2.gz MXMHEESFVCROCF-CQSZACIVSA-N 0 3 280.412 2.320 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000219886637 262351085 /nfs/dbraw/zinc/35/10/85/262351085.db2.gz SMISRQXKBQMJBK-CMPLNLGQSA-N 0 3 251.326 2.058 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1[O-] ZINC000059240909 262387727 /nfs/dbraw/zinc/38/77/27/262387727.db2.gz DPJOCVMDISYAFP-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN COC(=O)[C@@]1(C)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271191266 262994539 /nfs/dbraw/zinc/99/45/39/262994539.db2.gz QGRXHTGBSAACTI-INIZCTEOSA-N 0 3 294.370 2.277 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000188494608 264012715 /nfs/dbraw/zinc/01/27/15/264012715.db2.gz VNCAPQCYUJVBIB-ZJUUUORDSA-N 0 3 268.332 2.049 20 10 CECDHN CCOC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000188858685 264254312 /nfs/dbraw/zinc/25/43/12/264254312.db2.gz AXHAEENENKLKKJ-LBPRGKRZSA-N 0 3 281.352 2.272 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368443160 267172808 /nfs/dbraw/zinc/17/28/08/267172808.db2.gz SFENKAXIXBOBJV-GFCCVEGCSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(O)c(CN2CCOC[C@H](C)C2)c1 ZINC000370054484 267287139 /nfs/dbraw/zinc/28/71/39/267287139.db2.gz WIMCPDAECSJCEE-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000370054484 267287142 /nfs/dbraw/zinc/28/71/42/267287142.db2.gz WIMCPDAECSJCEE-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000370054484 267287144 /nfs/dbraw/zinc/28/71/44/267287144.db2.gz WIMCPDAECSJCEE-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](C)OC)c1 ZINC000289623755 276374977 /nfs/dbraw/zinc/37/49/77/276374977.db2.gz LRJKHHWRWUKXRU-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000289623755 276374978 /nfs/dbraw/zinc/37/49/78/276374978.db2.gz LRJKHHWRWUKXRU-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN COc1cc([O-])c(C[N@H+](CC(C)(C)O)C2CC2)cc1OC ZINC000189941649 295003714 /nfs/dbraw/zinc/00/37/14/295003714.db2.gz ZAMDXPOKIZHIGU-UHFFFAOYSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@@H+](CC(C)(C)O)C2CC2)cc1OC ZINC000189941649 295003717 /nfs/dbraw/zinc/00/37/17/295003717.db2.gz ZAMDXPOKIZHIGU-UHFFFAOYSA-N 0 3 295.379 2.145 20 10 CECDHN COC[C@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983276 328237790 /nfs/dbraw/zinc/23/77/90/328237790.db2.gz MFIWOEIPVSJMJC-ZBFHGGJFSA-N 0 3 292.423 2.335 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(OC)ccc2[O-])CC1(C)C ZINC000378440543 329050329 /nfs/dbraw/zinc/05/03/29/329050329.db2.gz BVHZPQKQZCUWSP-ZDUSSCGKSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(OC)ccc2[O-])CC1(C)C ZINC000378440543 329050330 /nfs/dbraw/zinc/05/03/30/329050330.db2.gz BVHZPQKQZCUWSP-ZDUSSCGKSA-N 0 3 293.363 2.032 20 10 CECDHN C[N@@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000378493532 329052991 /nfs/dbraw/zinc/05/29/91/329052991.db2.gz IKTORLKYUDAGKQ-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@H]2CCN(Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000378493532 329052992 /nfs/dbraw/zinc/05/29/92/329052992.db2.gz IKTORLKYUDAGKQ-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C1CC1 ZINC000226607797 329262048 /nfs/dbraw/zinc/26/20/48/329262048.db2.gz XYWKXBZZPMCWSE-SNVBAGLBSA-N 0 3 252.333 2.104 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCCO)c1[O-] ZINC000228676359 329344406 /nfs/dbraw/zinc/34/44/06/329344406.db2.gz HJSZBRUPYQVGKN-VIFPVBQESA-N 0 3 273.760 2.305 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000226585184 333265575 /nfs/dbraw/zinc/26/55/75/333265575.db2.gz DNUTZQRRQBOVKY-UONOGXRCSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000226585184 333265577 /nfs/dbraw/zinc/26/55/77/333265577.db2.gz DNUTZQRRQBOVKY-UONOGXRCSA-N 0 3 264.344 2.248 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000264863388 521295990 /nfs/dbraw/zinc/29/59/90/521295990.db2.gz PMZQVTJUUPLQBC-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+]CCCCCO)c1[O-] ZINC000075436116 521362421 /nfs/dbraw/zinc/36/24/21/521362421.db2.gz SRQMDZINHICPCE-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000279934292 519537655 /nfs/dbraw/zinc/53/76/55/519537655.db2.gz YJDANEUXBLSQDM-HNNXBMFYSA-N 0 3 290.407 2.357 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000295114537 520202694 /nfs/dbraw/zinc/20/26/94/520202694.db2.gz VNQPNWJUPLDWPM-AWEZNQCLSA-N 0 3 278.396 2.293 20 10 CECDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000275814852 520476302 /nfs/dbraw/zinc/47/63/02/520476302.db2.gz DSDKIPCXOIIQKG-CYBMUJFWSA-N 0 3 253.317 2.124 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000275814852 520476310 /nfs/dbraw/zinc/47/63/10/520476310.db2.gz DSDKIPCXOIIQKG-CYBMUJFWSA-N 0 3 253.317 2.124 20 10 CECDHN CCC[C@@H](N)C(=O)N(CCC)Cc1ccccc1O ZINC000236900012 520715233 /nfs/dbraw/zinc/71/52/33/520715233.db2.gz QVZYPJQGSKAXKI-CYBMUJFWSA-N 0 3 264.369 2.258 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)/C=C/CN(C)C)cc1 ZINC000265653908 520894086 /nfs/dbraw/zinc/89/40/86/520894086.db2.gz OZXCRFVGVUZWTD-BQYQJAHWSA-N 0 3 289.423 2.267 20 10 CECDHN CCN(CC)c1ccc(CNCCC(=O)N(C)C)cc1 ZINC000037751724 520905273 /nfs/dbraw/zinc/90/52/73/520905273.db2.gz HRLGCNADZLPOOC-UHFFFAOYSA-N 0 3 277.412 2.101 20 10 CECDHN CN(C)c1ccc(CNCC2([S@](C)=O)CCC2)cc1F ZINC000280521590 522206111 /nfs/dbraw/zinc/20/61/11/522206111.db2.gz BBKWCVUCOXBBHC-FQEVSTJZSA-N 0 3 298.427 2.283 20 10 CECDHN CC[C@H]([NH2+]CCC(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000280089965 522575832 /nfs/dbraw/zinc/57/58/32/522575832.db2.gz MIKTZQKBDTVYRH-ZDUSSCGKSA-N 0 3 264.369 2.220 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000290259539 522779042 /nfs/dbraw/zinc/77/90/42/522779042.db2.gz WPACNBZYIDMYNS-RYUDHWBXSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000290259539 522779047 /nfs/dbraw/zinc/77/90/47/522779047.db2.gz WPACNBZYIDMYNS-RYUDHWBXSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc(O)c(CN2CC[C@H](CO)C[C@@H]2C)cc1OC ZINC000290259539 522779054 /nfs/dbraw/zinc/77/90/54/522779054.db2.gz WPACNBZYIDMYNS-RYUDHWBXSA-N 0 3 295.379 2.002 20 10 CECDHN CN1CCCc2cc(CNC(=O)[C@@H](N)C(C)(C)C)ccc21 ZINC000237093117 523862078 /nfs/dbraw/zinc/86/20/78/523862078.db2.gz RFKMQWZLHICTGA-OAHLLOKOSA-N 0 3 289.423 2.059 20 10 CECDHN COCCOCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000044693901 524011251 /nfs/dbraw/zinc/01/12/51/524011251.db2.gz KHAMMFMCMIBZDF-GFCCVEGCSA-N 0 3 253.342 2.014 20 10 CECDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@@H]1CO ZINC000276748440 524295031 /nfs/dbraw/zinc/29/50/31/524295031.db2.gz LIUHBYCGGRJQAB-XHDPSFHLSA-N 0 3 266.360 2.094 20 10 CECDHN Cc1cccc(C[N@H+](C)CCCn2ccnc2)c1[O-] ZINC000290363288 524377342 /nfs/dbraw/zinc/37/73/42/524377342.db2.gz GWYGOQOYKKBZCO-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1cccc(C[N@@H+](C)CCCn2ccnc2)c1[O-] ZINC000290363288 524377349 /nfs/dbraw/zinc/37/73/49/524377349.db2.gz GWYGOQOYKKBZCO-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372635482 524407389 /nfs/dbraw/zinc/40/73/89/524407389.db2.gz BXXHANDARQYCEI-KRWDZBQOSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1[O-] ZINC000372635482 524407397 /nfs/dbraw/zinc/40/73/97/524407397.db2.gz BXXHANDARQYCEI-KRWDZBQOSA-N 0 3 288.391 2.145 20 10 CECDHN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880073 524608055 /nfs/dbraw/zinc/60/80/55/524608055.db2.gz YGRGRTSPTQABIE-LBPRGKRZSA-N 0 3 292.379 2.085 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000272368020 524751775 /nfs/dbraw/zinc/75/17/75/524751775.db2.gz GDRSWZMBSMGAFZ-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000085962936 524752786 /nfs/dbraw/zinc/75/27/86/524752786.db2.gz HDMYAPKIMRKFPA-SMDDNHRTSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc(O)c(CNCc2ccnc(OC)c2)c1 ZINC000062057938 524754062 /nfs/dbraw/zinc/75/40/62/524754062.db2.gz QYIWQFAHNVCQIN-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(F)ccc1[O-] ZINC000281024386 525423748 /nfs/dbraw/zinc/42/37/48/525423748.db2.gz MNUVIQSEAHVYII-GIGQVBGESA-N 0 3 285.384 2.483 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(F)ccc1[O-] ZINC000094617559 525602399 /nfs/dbraw/zinc/60/23/99/525602399.db2.gz GNYIBNMUYZJYDL-WDEREUQCSA-N 0 3 263.316 2.467 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCn2cncn2)cc1 ZINC000727221688 574449323 /nfs/dbraw/zinc/44/93/23/574449323.db2.gz HBFNDMLKAZVUFT-UHFFFAOYSA-N 0 3 287.411 2.256 20 10 CECDHN COc1ccc(CNCc2ccc(CC(N)=O)cc2)cc1C ZINC000727470400 574452161 /nfs/dbraw/zinc/45/21/61/574452161.db2.gz AIHIRZIITNEVNW-UHFFFAOYSA-N 0 3 298.386 2.321 20 10 CECDHN C[C@@H](Cn1cncn1)NCc1ccc(N2CCCC2)cc1 ZINC000731451393 574596449 /nfs/dbraw/zinc/59/64/49/574596449.db2.gz YIMQTXFKOXRXHU-AWEZNQCLSA-N 0 3 285.395 2.057 20 10 CECDHN C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cc([O-])cs1 ZINC000748374364 575185073 /nfs/dbraw/zinc/18/50/73/575185073.db2.gz YRDGZGKNLXMYSR-JTQLQIEISA-N 0 3 268.382 2.010 20 10 CECDHN CN(C)C[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1 ZINC000748374364 575185074 /nfs/dbraw/zinc/18/50/74/575185074.db2.gz YRDGZGKNLXMYSR-JTQLQIEISA-N 0 3 268.382 2.010 20 10 CECDHN C[C@H]1CN(Cc2cc(Cl)ccc2[O-])[C@@H](C)C[NH2+]1 ZINC000083407790 623856415 /nfs/dbraw/zinc/85/64/15/623856415.db2.gz VJFTZCWYIRDLBS-UWVGGRQHSA-N 0 3 254.761 2.228 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CCC[C@H](O)C2)cc1 ZINC000103859774 634670343 /nfs/dbraw/zinc/67/03/43/634670343.db2.gz PMTNCRHDKNOHNZ-IMMZDGJCSA-N 0 3 260.381 2.223 20 10 CECDHN COCC[C@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000311741982 628773136 /nfs/dbraw/zinc/77/31/36/628773136.db2.gz BKIAIBGGXITVES-CMPLNLGQSA-N 0 3 271.332 2.233 20 10 CECDHN COc1cc(C)cc(CNCc2cccnc2)c1O ZINC000894145278 629168390 /nfs/dbraw/zinc/16/83/90/629168390.db2.gz KBSNCVQGWXGTBD-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1cc(C)cc(CN[C@@H](C)c2cnn(C)c2)c1O ZINC000894295468 629314849 /nfs/dbraw/zinc/31/48/49/629314849.db2.gz ZNEDTJPYPOYNOC-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN CC[C@@H]([NH2+]C[C@](C)(O)COC)c1ccc(C)cc1[O-] ZINC000794811357 629326541 /nfs/dbraw/zinc/32/65/41/629326541.db2.gz WZQHTSCGJKKEGB-HIFRSBDPSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000794813268 629328018 /nfs/dbraw/zinc/32/80/18/629328018.db2.gz IEJGZMWQCUNDBO-CQSZACIVSA-N 0 3 297.420 2.176 20 10 CECDHN COc1cc(C)cc(CN[C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000894340528 629370812 /nfs/dbraw/zinc/37/08/12/629370812.db2.gz PKOAKGHWNCTJPP-RDJZCZTQSA-N 0 3 299.370 2.457 20 10 CECDHN CCOc1ccc(C[NH2+]CCC(C)(C)C(=O)OC)c([O-])c1 ZINC000796453482 629907052 /nfs/dbraw/zinc/90/70/52/629907052.db2.gz IIHMFKKLINUDEE-UHFFFAOYSA-N 0 3 295.379 2.470 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c([O-])c1 ZINC000895677328 630296880 /nfs/dbraw/zinc/29/68/80/630296880.db2.gz LKTKDLCFWHJXFH-JTQLQIEISA-N 0 3 299.239 2.349 20 10 CECDHN COc1ccc(CN[C@@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000796488077 630807660 /nfs/dbraw/zinc/80/76/60/630807660.db2.gz BSDCURABXNNONO-LBPRGKRZSA-N 0 3 297.420 2.059 20 10 CECDHN COCC[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000798940876 630954523 /nfs/dbraw/zinc/95/45/23/630954523.db2.gz OJLCNYZNCMQNON-FOGDFJRCSA-N 0 3 283.343 2.067 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2c([O-])cccc2OC)CCCO1 ZINC000798965301 630958536 /nfs/dbraw/zinc/95/85/36/630958536.db2.gz WCBJGZNUJQZQAS-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2c([O-])cccc2OC)CCCO1 ZINC000798965301 630958539 /nfs/dbraw/zinc/95/85/39/630958539.db2.gz WCBJGZNUJQZQAS-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN O=C(OCCC[NH+]1CCCC1)c1cc([O-])cs1 ZINC000800165142 631098840 /nfs/dbraw/zinc/09/88/40/631098840.db2.gz GNQKAMNHFBWDMC-UHFFFAOYSA-N 0 3 255.339 2.096 20 10 CECDHN C[C@H]1CC[C@H](C)N1CC(=O)NCc1c(O)cccc1F ZINC000928705620 631127588 /nfs/dbraw/zinc/12/75/88/631127588.db2.gz MHEFBJAJANIXRT-QWRGUYRKSA-N 0 3 280.343 2.020 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530625 631675590 /nfs/dbraw/zinc/67/55/90/631675590.db2.gz NFBONDBPSCKGMG-UHFFFAOYSA-N 0 3 277.364 2.186 20 10 CECDHN C[C@]1(NCc2ccc(N3CCCCC3)cc2)CCNC1=O ZINC000897874619 631956297 /nfs/dbraw/zinc/95/62/97/631956297.db2.gz XWXSILZQIHAYSL-KRWDZBQOSA-N 0 3 287.407 2.045 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@@H](CCO)C1CCCC1)OCO2 ZINC000897886070 631961981 /nfs/dbraw/zinc/96/19/81/631961981.db2.gz UQBCGJJBNCTLRS-ZDUSSCGKSA-N 0 3 293.363 2.152 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000808677838 631999412 /nfs/dbraw/zinc/99/94/12/631999412.db2.gz FJSGHTMVBSNPPA-PWSUYJOCSA-N 0 3 285.771 2.420 20 10 CECDHN COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808695141 632002109 /nfs/dbraw/zinc/00/21/09/632002109.db2.gz KHFCEKWXMUNOJD-HZMBPMFUSA-N 0 3 287.787 2.402 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717600 632005266 /nfs/dbraw/zinc/00/52/66/632005266.db2.gz FVRMRDNFTKJKKK-PWSUYJOCSA-N 0 3 287.787 2.402 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC(C)(C)C1 ZINC000840162950 632066899 /nfs/dbraw/zinc/06/68/99/632066899.db2.gz BJRAWOYQSLBZKJ-CQSZACIVSA-N 0 3 277.364 2.438 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC(C)(C)C1 ZINC000840162950 632066904 /nfs/dbraw/zinc/06/69/04/632066904.db2.gz BJRAWOYQSLBZKJ-CQSZACIVSA-N 0 3 277.364 2.438 20 10 CECDHN Cc1cc(N(C)C)ccc1C[NH2+]Cc1ncccc1[O-] ZINC000809619087 632113374 /nfs/dbraw/zinc/11/33/74/632113374.db2.gz PBJLXQSUIACLCD-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000809692620 632128463 /nfs/dbraw/zinc/12/84/63/632128463.db2.gz BRCDVDSFAKHVAU-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000809692620 632128466 /nfs/dbraw/zinc/12/84/66/632128466.db2.gz BRCDVDSFAKHVAU-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CCCC[N@H+](CCCO)Cc1c([O-])cccc1OC ZINC000809751724 632140729 /nfs/dbraw/zinc/14/07/29/632140729.db2.gz JEUSDUBTYMMDLY-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCC[N@@H+](CCCO)Cc1c([O-])cccc1OC ZINC000809751724 632140733 /nfs/dbraw/zinc/14/07/33/632140733.db2.gz JEUSDUBTYMMDLY-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN C[N@@H+]1CCCC[C@@H]1CCOC(=O)c1cc([O-])cs1 ZINC000840228777 632358984 /nfs/dbraw/zinc/35/89/84/632358984.db2.gz SQXUFQQOYPXTRJ-SNVBAGLBSA-N 0 3 269.366 2.485 20 10 CECDHN C[N@H+]1CCCC[C@@H]1CCOC(=O)c1cc([O-])cs1 ZINC000840228777 632358989 /nfs/dbraw/zinc/35/89/89/632358989.db2.gz SQXUFQQOYPXTRJ-SNVBAGLBSA-N 0 3 269.366 2.485 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCO[C@H]2CCOC2)c([O-])c1 ZINC000927079116 632447694 /nfs/dbraw/zinc/44/76/94/632447694.db2.gz DMCMBUJNOGEORA-STQMWFEESA-N 0 3 265.353 2.157 20 10 CECDHN [O-]c1c(C[N@H+]2CC[C@@](F)(CO)C2)ccc2ccccc12 ZINC000816600857 633420456 /nfs/dbraw/zinc/42/04/56/633420456.db2.gz JOOCDFFSOCCQJK-INIZCTEOSA-N 0 3 275.323 2.452 20 10 CECDHN [O-]c1c(C[N@@H+]2CC[C@@](F)(CO)C2)ccc2ccccc12 ZINC000816600857 633420462 /nfs/dbraw/zinc/42/04/62/633420462.db2.gz JOOCDFFSOCCQJK-INIZCTEOSA-N 0 3 275.323 2.452 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCCC1(O)CCC1 ZINC000817415220 633653309 /nfs/dbraw/zinc/65/33/09/633653309.db2.gz VCLHNOSHWPDXRA-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817944901 633792264 /nfs/dbraw/zinc/79/22/64/633792264.db2.gz OSXWHUNMVTXRJR-SCZZXKLOSA-N 0 3 285.185 2.167 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCCN1)c1ccc(F)cc1[O-] ZINC000817949366 633794363 /nfs/dbraw/zinc/79/43/63/633794363.db2.gz JWHPXMIDSRLWTH-CMPLNLGQSA-N 0 3 252.333 2.324 20 10 CECDHN COCCNCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817965505 633806723 /nfs/dbraw/zinc/80/67/23/633806723.db2.gz WEFILLARHKKTLX-ZDUSSCGKSA-N 0 3 288.391 2.432 20 10 CECDHN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccc(F)cc1[O-] ZINC000817969038 633811332 /nfs/dbraw/zinc/81/13/32/633811332.db2.gz QGVQPWKLNJIEFD-KWBADKCTSA-N 0 3 252.333 2.180 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CNCCCO1)c1cccc(Cl)c1[O-] ZINC000817982977 633827414 /nfs/dbraw/zinc/82/74/14/633827414.db2.gz XEXHYKCQMOBKFN-FZMZJTMJSA-N 0 3 298.814 2.465 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)ccc1[O-] ZINC000903286277 635050476 /nfs/dbraw/zinc/05/04/76/635050476.db2.gz FZOIICQSUNXYSV-LQEIOPRQSA-N 0 3 263.312 2.358 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845092 635509655 /nfs/dbraw/zinc/50/96/55/635509655.db2.gz HOMWBWCCNVISTP-GOEBONIOSA-N 0 3 261.365 2.279 20 10 CECDHN CCCn1nccc1CNCc1cccc(OC)c1O ZINC000825915984 635731809 /nfs/dbraw/zinc/73/18/09/635731809.db2.gz GKRNBWDRJJIDHH-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCOC1 ZINC000826822256 635854575 /nfs/dbraw/zinc/85/45/75/635854575.db2.gz OKXMCBWLTSOWJQ-FZMZJTMJSA-N 0 3 299.798 2.495 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000827699583 636398373 /nfs/dbraw/zinc/39/83/73/636398373.db2.gz JITRWYPCKSVLPW-LRDDRELGSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000827699583 636398379 /nfs/dbraw/zinc/39/83/79/636398379.db2.gz JITRWYPCKSVLPW-LRDDRELGSA-N 0 3 279.380 2.241 20 10 CECDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000828491265 636609622 /nfs/dbraw/zinc/60/96/22/636609622.db2.gz XWYWDELAZHTDRN-WDEREUQCSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C[C@@H]1C ZINC000828491265 636609625 /nfs/dbraw/zinc/60/96/25/636609625.db2.gz XWYWDELAZHTDRN-WDEREUQCSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1ccc(C)cc1[O-] ZINC000876631151 650367496 /nfs/dbraw/zinc/36/74/96/650367496.db2.gz QDTLZHXTQQDUBX-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1ccc(C)cc1[O-] ZINC000876631151 650367501 /nfs/dbraw/zinc/36/75/01/650367501.db2.gz QDTLZHXTQQDUBX-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CN(C)[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834518682 637851867 /nfs/dbraw/zinc/85/18/67/637851867.db2.gz MGNUFBIWZVKZNR-KGLIPLIRSA-N 0 3 260.381 2.309 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834597490 637886540 /nfs/dbraw/zinc/88/65/40/637886540.db2.gz GGLLTAGXFZHHQO-NWDGAFQWSA-N 0 3 267.394 2.083 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680702 637917287 /nfs/dbraw/zinc/91/72/87/637917287.db2.gz GFKZBGWIPRITTR-OCCSQVGLSA-N 0 3 269.348 2.250 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834844830 637968669 /nfs/dbraw/zinc/96/86/69/637968669.db2.gz VFYALTFXQBHYFH-RSAASHCRSA-N 0 3 297.370 2.457 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c([O-])c1 ZINC000834888022 637978887 /nfs/dbraw/zinc/97/88/87/637978887.db2.gz CIVVIWWLSSGBLZ-SOUVJXGZSA-N 0 3 290.407 2.214 20 10 CECDHN Cc1cnc(CC[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000834907881 637984993 /nfs/dbraw/zinc/98/49/93/637984993.db2.gz FFXCLMSRPBPMTO-CQSZACIVSA-N 0 3 269.348 2.310 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000835086397 638055840 /nfs/dbraw/zinc/05/58/40/638055840.db2.gz GZYPSBKLUHZFLQ-BXUZGUMPSA-N 0 3 265.353 2.448 20 10 CECDHN CNC(=O)CC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876759808 650423529 /nfs/dbraw/zinc/42/35/29/650423529.db2.gz OOUDJKQQRDVFPM-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1ccc(CN2CC[C@](O)(C(F)(F)F)C2)c(O)c1 ZINC000876764825 650424680 /nfs/dbraw/zinc/42/46/80/650424680.db2.gz WYYUMUTUHIJCIY-GFCCVEGCSA-N 0 3 275.270 2.200 20 10 CECDHN COCCOC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876774831 650428324 /nfs/dbraw/zinc/42/83/24/650428324.db2.gz IGCYBVRUMAFGBH-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876774831 650428326 /nfs/dbraw/zinc/42/83/26/650428326.db2.gz IGCYBVRUMAFGBH-CQSZACIVSA-N 0 3 279.380 2.186 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000876797714 650436832 /nfs/dbraw/zinc/43/68/32/650436832.db2.gz UEBYDECSZPGTGB-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000876797714 650436837 /nfs/dbraw/zinc/43/68/37/650436837.db2.gz UEBYDECSZPGTGB-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc(C[NH2+]CCCOC[C@H]2CCCO2)c([O-])c1 ZINC000876900778 650478864 /nfs/dbraw/zinc/47/88/64/650478864.db2.gz QVQMNVWXVJTOIY-OAHLLOKOSA-N 0 3 279.380 2.376 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](O)COc2ccccc2)c([O-])c1 ZINC000876918357 650486173 /nfs/dbraw/zinc/48/61/73/650486173.db2.gz IYTRWKJMNVDXRP-OAHLLOKOSA-N 0 3 287.359 2.230 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c([O-])c1 ZINC000876925850 650488701 /nfs/dbraw/zinc/48/87/01/650488701.db2.gz FFMWOXKEJNCRLC-HNNXBMFYSA-N 0 3 283.375 2.446 20 10 CECDHN CCS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000840888166 639574266 /nfs/dbraw/zinc/57/42/66/639574266.db2.gz BTCPNDJJWZEUQC-GFCCVEGCSA-N 0 3 285.409 2.176 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1 ZINC000841061544 639638354 /nfs/dbraw/zinc/63/83/54/639638354.db2.gz JYCXQJKCLMUKCL-ONGXEEELSA-N 0 3 299.212 2.385 20 10 CECDHN CC1(NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]CC1 ZINC000841065073 639641177 /nfs/dbraw/zinc/64/11/77/639641177.db2.gz MIIRHUHGQGOAFE-UHFFFAOYSA-N 0 3 299.758 2.186 20 10 CECDHN CC1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCNCC1 ZINC000841065073 639641182 /nfs/dbraw/zinc/64/11/82/639641182.db2.gz MIIRHUHGQGOAFE-UHFFFAOYSA-N 0 3 299.758 2.186 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@H](C)N)c1 ZINC000841077073 639647485 /nfs/dbraw/zinc/64/74/85/639647485.db2.gz YDHXWYIZBWMPLZ-IUCAKERBSA-N 0 3 287.201 2.288 20 10 CECDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228943722 639665423 /nfs/dbraw/zinc/66/54/23/639665423.db2.gz YLCIWZVHQKIAKW-VHSXEESVSA-N 0 3 268.332 2.095 20 10 CECDHN C[NH2+]CCCN(C)Cc1cc(Cl)cc(F)c1[O-] ZINC000841104432 639680195 /nfs/dbraw/zinc/68/01/95/639680195.db2.gz RMNXSQAFINIZEU-UHFFFAOYSA-N 0 3 260.740 2.226 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000876996887 650525041 /nfs/dbraw/zinc/52/50/41/650525041.db2.gz HHRBYYIRVKFDFM-GFCCVEGCSA-N 0 3 278.352 2.021 20 10 CECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(C)cc2[O-])o1 ZINC000877060232 650553601 /nfs/dbraw/zinc/55/36/01/650553601.db2.gz VQPUUWLPWXOIGV-AWEZNQCLSA-N 0 3 261.321 2.425 20 10 CECDHN C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000843045888 640251249 /nfs/dbraw/zinc/25/12/49/640251249.db2.gz LMRPJZBWUYTYPX-GWCFXTLKSA-N 0 3 252.333 2.233 20 10 CECDHN C[C@H]1C[C@H](C[NH3+])CN1Cc1c([O-])ccc(Cl)c1F ZINC000843058858 640261779 /nfs/dbraw/zinc/26/17/79/640261779.db2.gz ZPQHOUWNHZZWPV-DTWKUNHWSA-N 0 3 272.751 2.354 20 10 CECDHN CC[NH+](CC)C[C@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000914412262 640347001 /nfs/dbraw/zinc/34/70/01/640347001.db2.gz SRUKTCXVASXRQP-NSHDSACASA-N 0 3 297.374 2.061 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843414775 640419467 /nfs/dbraw/zinc/41/94/67/640419467.db2.gz MPZANZJVLJWCCK-ZDUSSCGKSA-N 0 3 288.326 2.008 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000843414775 640419469 /nfs/dbraw/zinc/41/94/69/640419469.db2.gz MPZANZJVLJWCCK-ZDUSSCGKSA-N 0 3 288.326 2.008 20 10 CECDHN Cc1cccc(O)c1CNCc1cccc(N(C)C)n1 ZINC000877117506 650579848 /nfs/dbraw/zinc/57/98/48/650579848.db2.gz FLIINPMNUJEWQC-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c([O-])c1 ZINC000877132819 650588198 /nfs/dbraw/zinc/58/81/98/650588198.db2.gz OKUNPWRRNWALRT-GDBMZVCRSA-N 0 3 277.364 2.128 20 10 CECDHN COC(=O)C1CCN(Cc2cc(C)cc(OC)c2O)CC1 ZINC000915795544 640615298 /nfs/dbraw/zinc/61/52/98/640615298.db2.gz NXSYGIDRGOFKIW-UHFFFAOYSA-N 0 3 293.363 2.094 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC1(CO)CCC1 ZINC000846102292 641182341 /nfs/dbraw/zinc/18/23/41/641182341.db2.gz LJPIHXBATDMSIP-UHFFFAOYSA-N 0 3 265.353 2.043 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846111493 641186005 /nfs/dbraw/zinc/18/60/05/641186005.db2.gz QBBAGLGFPXXFSH-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846111493 641186009 /nfs/dbraw/zinc/18/60/09/641186009.db2.gz QBBAGLGFPXXFSH-VIFPVBQESA-N 0 3 273.760 2.257 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2[O-] ZINC000846205115 641220910 /nfs/dbraw/zinc/22/09/10/641220910.db2.gz FAVAIJPBWWLUNQ-PWSUYJOCSA-N 0 3 292.354 2.292 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c([O-])c1 ZINC000846212876 641223939 /nfs/dbraw/zinc/22/39/39/641223939.db2.gz NIASVGDXEBVLKQ-BBRMVZONSA-N 0 3 279.380 2.283 20 10 CECDHN C[C@@H]1CCN(CC(=O)NCCCSc2nccs2)C1 ZINC000847488454 641672877 /nfs/dbraw/zinc/67/28/77/641672877.db2.gz YAADQPOIAMVVIJ-LLVKDONJSA-N 0 3 299.465 2.083 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)CN1CC[C@H](C)C1 ZINC000847500488 641676579 /nfs/dbraw/zinc/67/65/79/641676579.db2.gz LBFHHWHZPCXWTH-ZDUSSCGKSA-N 0 3 289.423 2.019 20 10 CECDHN CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183385164 641733008 /nfs/dbraw/zinc/73/30/08/641733008.db2.gz HSXGHLZSOFBXKJ-LSDHHAIUSA-N 0 3 292.423 2.400 20 10 CECDHN C[C@H](NCC(=O)NC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000126493797 650697158 /nfs/dbraw/zinc/69/71/58/650697158.db2.gz XCZWRTHGTWIZLU-LBPRGKRZSA-N 0 3 277.412 2.318 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185330107 641964546 /nfs/dbraw/zinc/96/45/46/641964546.db2.gz PZZLYERLCPPSJP-CABCVRRESA-N 0 3 292.423 2.462 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848924235 642195664 /nfs/dbraw/zinc/19/56/64/642195664.db2.gz YIJNOOHBQKQGIY-RWMBFGLXSA-N 0 3 296.386 2.119 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)Cc1ccccc1 ZINC000877462411 650729829 /nfs/dbraw/zinc/72/98/29/650729829.db2.gz PVJVCJOLFUOMEB-HNNXBMFYSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000877504071 650754592 /nfs/dbraw/zinc/75/45/92/650754592.db2.gz FSGCJKRMOYJPRT-ZDUSSCGKSA-N 0 3 298.390 2.452 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c([O-])c1 ZINC000877504071 650754593 /nfs/dbraw/zinc/75/45/93/650754593.db2.gz FSGCJKRMOYJPRT-ZDUSSCGKSA-N 0 3 298.390 2.452 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC1CC(OC)C1 ZINC000850341295 642673448 /nfs/dbraw/zinc/67/34/48/642673448.db2.gz GBDNWIRWZBGITI-UHFFFAOYSA-N 0 3 265.353 2.306 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000850356370 642679916 /nfs/dbraw/zinc/67/99/16/642679916.db2.gz OVIJNTMYTSYRMF-XAAFQQQXSA-N 0 3 297.420 2.180 20 10 CECDHN CN(C)c1ccc(CNC/C=C\CO)c(C(F)(F)F)c1 ZINC000850357609 642681156 /nfs/dbraw/zinc/68/11/56/642681156.db2.gz POPOCEIVFVZETH-ARJAWSKDSA-N 0 3 288.313 2.410 20 10 CECDHN Oc1cc2c(cc1CN[C@@H]1C[C@@H](O)c3ccccc31)OCO2 ZINC000850372244 642686094 /nfs/dbraw/zinc/68/60/94/642686094.db2.gz RSFGNPBVXAQITJ-UKRRQHHQSA-N 0 3 299.326 2.389 20 10 CECDHN CC(C)(C)N1C[C@@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000850397377 642700310 /nfs/dbraw/zinc/70/03/10/642700310.db2.gz WXIBIGFIIKQNKO-GFCCVEGCSA-N 0 3 276.380 2.129 20 10 CECDHN Cn1cccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406019 642702826 /nfs/dbraw/zinc/70/28/26/642702826.db2.gz OLXWXXGVOYVJQJ-UHFFFAOYSA-N 0 3 299.418 2.276 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)CC1CC1)CC2 ZINC000850546421 642748773 /nfs/dbraw/zinc/74/87/73/642748773.db2.gz ZPSCJIIKKAXUTB-JSGCOSHPSA-N 0 3 261.365 2.378 20 10 CECDHN COC(=O)[C@H]1CSCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877592520 650805489 /nfs/dbraw/zinc/80/54/89/650805489.db2.gz IBZVTLUUJCDMOO-GFCCVEGCSA-N 0 3 295.404 2.039 20 10 CECDHN COC(=O)[C@H]1CSCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877592520 650805493 /nfs/dbraw/zinc/80/54/93/650805493.db2.gz IBZVTLUUJCDMOO-GFCCVEGCSA-N 0 3 295.404 2.039 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597248 650808157 /nfs/dbraw/zinc/80/81/57/650808157.db2.gz FLAYZIFDHHKHJQ-CYBMUJFWSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000877597248 650808158 /nfs/dbraw/zinc/80/81/58/650808158.db2.gz FLAYZIFDHHKHJQ-CYBMUJFWSA-N 0 3 272.352 2.129 20 10 CECDHN Cc1ccc(O)c(CNCc2cc(N(C)C)ccn2)c1 ZINC000922478360 643088489 /nfs/dbraw/zinc/08/84/89/643088489.db2.gz MJLBKBRIFJNDOZ-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN CN(Cc1ccccc1O)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851841453 643187107 /nfs/dbraw/zinc/18/71/07/643187107.db2.gz SHOPSRWBEUNGJU-NWANDNLSSA-N 0 3 288.391 2.271 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000922809672 643276038 /nfs/dbraw/zinc/27/60/38/643276038.db2.gz NCEMKCCISMPWBH-AWEZNQCLSA-N 0 3 277.364 2.210 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000877683257 650848457 /nfs/dbraw/zinc/84/84/57/650848457.db2.gz VGGVRZKGCXEARH-GRPXYMBPSA-N 0 3 263.312 2.044 20 10 CECDHN Cc1ccc(C[NH+]2CCC(CCO)(CCO)CC2)c([O-])c1 ZINC000877691264 650853006 /nfs/dbraw/zinc/85/30/06/650853006.db2.gz JOLHVTSZFHBYAI-UHFFFAOYSA-N 0 3 293.407 2.048 20 10 CECDHN COc1ccccc1[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000853092779 643650257 /nfs/dbraw/zinc/65/02/57/643650257.db2.gz MNMWILUSVBNILF-OAHLLOKOSA-N 0 3 273.332 2.224 20 10 CECDHN Cc1noc(C2CN(Cc3cc(C)c(C)cc3O)C2)n1 ZINC000839131689 644169144 /nfs/dbraw/zinc/16/91/44/644169144.db2.gz YIVPGVIUWLJKAG-UHFFFAOYSA-N 0 3 273.336 2.300 20 10 CECDHN CCCNC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756355044 644634314 /nfs/dbraw/zinc/63/43/14/644634314.db2.gz GDHSMFFWUYPHNJ-KOLCDFICSA-N 0 3 280.343 2.195 20 10 CECDHN CC(C)C(=O)NCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756371657 644637728 /nfs/dbraw/zinc/63/77/28/644637728.db2.gz MIGASMHWYMTHJX-PWSUYJOCSA-N 0 3 294.370 2.441 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756595689 644673743 /nfs/dbraw/zinc/67/37/43/644673743.db2.gz YCRGDGJLMNGJND-JBLDHEPKSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1cc(F)ccc1[O-] ZINC000756740711 644688377 /nfs/dbraw/zinc/68/83/77/644688377.db2.gz SSJFWUKMVCHBSS-RNCFNFMXSA-N 0 3 253.317 2.343 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756776128 644691279 /nfs/dbraw/zinc/69/12/79/644691279.db2.gz WPRGWVYLXLGWBX-IRUJWGPZSA-N 0 3 280.343 2.097 20 10 CECDHN C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000757659323 644832580 /nfs/dbraw/zinc/83/25/80/644832580.db2.gz YGBHBSZZFXGGMU-FQBUZYRESA-N 0 3 285.384 2.436 20 10 CECDHN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@@H](C)O ZINC000858172406 645080863 /nfs/dbraw/zinc/08/08/63/645080863.db2.gz SYYYNJAFVHJIQW-RNCFNFMXSA-N 0 3 272.339 2.280 20 10 CECDHN CN(C)c1cc(F)c(CNCCc2cn(C)cn2)cc1F ZINC000858176021 645081604 /nfs/dbraw/zinc/08/16/04/645081604.db2.gz IGRPVVKAELGBNM-UHFFFAOYSA-N 0 3 294.349 2.097 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000858470569 645171845 /nfs/dbraw/zinc/17/18/45/645171845.db2.gz IZKHQCSLEMVYMS-CHWSQXEVSA-N 0 3 273.332 2.231 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858523785 645191052 /nfs/dbraw/zinc/19/10/52/645191052.db2.gz UYDFZGJFTHPRIQ-DGCLKSJQSA-N 0 3 298.814 2.335 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCC1 ZINC000768439440 646122225 /nfs/dbraw/zinc/12/22/25/646122225.db2.gz HMKJOERLRYLHAO-OAHLLOKOSA-N 0 3 277.364 2.440 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CCCC1 ZINC000768439440 646122230 /nfs/dbraw/zinc/12/22/30/646122230.db2.gz HMKJOERLRYLHAO-OAHLLOKOSA-N 0 3 277.364 2.440 20 10 CECDHN CC(C)CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439259 646122849 /nfs/dbraw/zinc/12/28/49/646122849.db2.gz FEMGRIBFCYHKLC-CQSZACIVSA-N 0 3 265.353 2.296 20 10 CECDHN CC(C)CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768439259 646122856 /nfs/dbraw/zinc/12/28/56/646122856.db2.gz FEMGRIBFCYHKLC-CQSZACIVSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444399 646123640 /nfs/dbraw/zinc/12/36/40/646123640.db2.gz AUOSGEKOHYULEF-HZMBPMFUSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444399 646123646 /nfs/dbraw/zinc/12/36/46/646123646.db2.gz AUOSGEKOHYULEF-HZMBPMFUSA-N 0 3 265.353 2.296 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465708 646128493 /nfs/dbraw/zinc/12/84/93/646128493.db2.gz QQKVEBNTLRKNDH-IAQYHMDHSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465708 646128495 /nfs/dbraw/zinc/12/84/95/646128495.db2.gz QQKVEBNTLRKNDH-IAQYHMDHSA-N 0 3 275.348 2.050 20 10 CECDHN CCOc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)c([O-])c1 ZINC000769343647 646249357 /nfs/dbraw/zinc/24/93/57/646249357.db2.gz RTBDWYNFAFCTTE-GFCCVEGCSA-N 0 3 267.369 2.382 20 10 CECDHN CCOc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)c([O-])c1 ZINC000769343647 646249360 /nfs/dbraw/zinc/24/93/60/646249360.db2.gz RTBDWYNFAFCTTE-GFCCVEGCSA-N 0 3 267.369 2.382 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCNc1cccc(C)n1 ZINC000769401151 646261162 /nfs/dbraw/zinc/26/11/62/646261162.db2.gz PQTFVOTWXRJEEV-UHFFFAOYSA-N 0 3 287.363 2.306 20 10 CECDHN CCOc1cccc(CN2CCSC[C@H]2CCO)c1O ZINC000770305713 646378333 /nfs/dbraw/zinc/37/83/33/646378333.db2.gz JIYZEODFKBBEHM-CYBMUJFWSA-N 0 3 297.420 2.091 20 10 CECDHN CC(C)CC[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000862480253 646474378 /nfs/dbraw/zinc/47/43/78/646474378.db2.gz ARVWWZIOMPLQKY-CYBMUJFWSA-N 0 3 255.333 2.418 20 10 CECDHN C[C@@H]1[C@H](C)N(C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000775983995 647013329 /nfs/dbraw/zinc/01/33/29/647013329.db2.gz DUPKMDNQPNSEJR-QWHCGFSZSA-N 0 3 279.403 2.416 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776253288 647042820 /nfs/dbraw/zinc/04/28/20/647042820.db2.gz VBOIREYJAUJRPM-OLZOCXBDSA-N 0 3 296.798 2.358 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000777725555 647169886 /nfs/dbraw/zinc/16/98/86/647169886.db2.gz URGYJYUCXKWVKR-AVGNSLFASA-N 0 3 297.420 2.399 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000778193264 647207561 /nfs/dbraw/zinc/20/75/61/647207561.db2.gz VIBCJJKGGSQXTB-KGLIPLIRSA-N 0 3 265.353 2.040 20 10 CECDHN O=C(CC[NH2+]Cc1cc(F)ccc1[O-])Nc1ccccn1 ZINC000779061414 647284820 /nfs/dbraw/zinc/28/48/20/647284820.db2.gz OQAPNLWWKUOGRK-UHFFFAOYSA-N 0 3 289.310 2.045 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCn2ccnc2C1)c1cc(F)ccc1[O-] ZINC000779067755 647284871 /nfs/dbraw/zinc/28/48/71/647284871.db2.gz ZOEQBHSIFMLRNV-PWSUYJOCSA-N 0 3 275.327 2.393 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000779092561 647286993 /nfs/dbraw/zinc/28/69/93/647286993.db2.gz IQSJEPBYTIWITQ-CQSZACIVSA-N 0 3 295.354 2.349 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@H]1O ZINC000779199675 647297240 /nfs/dbraw/zinc/29/72/40/647297240.db2.gz GNAVBVNNGDFXOH-IAQYHMDHSA-N 0 3 266.360 2.094 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)COCC(C)C)c1ccccc1[O-] ZINC000121081619 647806535 /nfs/dbraw/zinc/80/65/35/647806535.db2.gz MWXAUFZKUTZGTH-DZGCQCFKSA-N 0 3 281.396 2.466 20 10 CECDHN CCn1cccc(CNCc2ccc3c(c2)CCO3)c1=O ZINC000788523473 648198792 /nfs/dbraw/zinc/19/87/92/648198792.db2.gz DDVXJWTVLXMFIB-UHFFFAOYSA-N 0 3 284.359 2.093 20 10 CECDHN C[C@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000790477319 648421435 /nfs/dbraw/zinc/42/14/35/648421435.db2.gz JILOWLYIWHWMBC-IINYFYTJSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000790477319 648421442 /nfs/dbraw/zinc/42/14/42/648421442.db2.gz JILOWLYIWHWMBC-IINYFYTJSA-N 0 3 295.404 2.145 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCSC1 ZINC000790484641 648422023 /nfs/dbraw/zinc/42/20/23/648422023.db2.gz GKTJBSGWSYWCKB-JTQLQIEISA-N 0 3 253.367 2.244 20 10 CECDHN CN(C)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1F ZINC000793254532 648732007 /nfs/dbraw/zinc/73/20/07/648732007.db2.gz BWEHUKATXQXBJB-UHFFFAOYSA-N 0 3 275.327 2.282 20 10 CECDHN C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccccc1[O-] ZINC000879650136 651335650 /nfs/dbraw/zinc/33/56/50/651335650.db2.gz KNPRPHJNICEIRE-NSHDSACASA-N 0 3 264.369 2.205 20 10 CECDHN Cc1n[nH]c(C)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651710 651335939 /nfs/dbraw/zinc/33/59/39/651335939.db2.gz IDGGDLPOZCQKJB-VIFPVBQESA-N 0 3 288.351 2.021 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccoc1)CC2 ZINC000883276178 652421459 /nfs/dbraw/zinc/42/14/59/652421459.db2.gz HDFGNWVTHYNBPT-ZFWWWQNUSA-N 0 3 287.359 2.413 20 10 CECDHN COc1ccc(CN[C@H]2CC(=O)N(CC3CC3)C2)cc1C ZINC000883403730 652457835 /nfs/dbraw/zinc/45/78/35/652457835.db2.gz BRQXISZAVMNVQO-HNNXBMFYSA-N 0 3 288.391 2.104 20 10 CECDHN O=C(C[NH2+]Cc1ccccc1[O-])Nc1cccc(F)c1 ZINC000134231836 652796087 /nfs/dbraw/zinc/79/60/87/652796087.db2.gz SGDZRHRRCWLRHP-UHFFFAOYSA-N 0 3 274.295 2.260 20 10 CECDHN O=C(CNCc1ccccc1O)Nc1cccc(F)c1 ZINC000134231836 652796092 /nfs/dbraw/zinc/79/60/92/652796092.db2.gz SGDZRHRRCWLRHP-UHFFFAOYSA-N 0 3 274.295 2.260 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000134228751 652796182 /nfs/dbraw/zinc/79/61/82/652796182.db2.gz AUQJCNLNKDFGTE-OAHLLOKOSA-N 0 3 261.296 2.355 20 10 CECDHN C[C@@]1([NH3+])CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001204800261 806087494 /nfs/dbraw/zinc/08/74/94/806087494.db2.gz APZIZHCGLJUTGP-GFCCVEGCSA-N 0 3 274.286 2.334 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724604144 803193165 /nfs/dbraw/zinc/19/31/65/803193165.db2.gz NCWQKSDOBKIQFW-NCZKRNLISA-N 0 3 277.364 2.237 20 10 CECDHN C[C@]1([NH3+])CCN(Cc2cc(Br)ccc2[O-])C1 ZINC000405771645 803401286 /nfs/dbraw/zinc/40/12/86/803401286.db2.gz AJOGYHDUZZYJMU-LBPRGKRZSA-N 0 3 285.185 2.078 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H](COC)OC)c1ccccc1[O-] ZINC000694313408 803530155 /nfs/dbraw/zinc/53/01/55/803530155.db2.gz UYEHGLVEJVXINH-GXTWGEPZSA-N 0 3 267.369 2.484 20 10 CECDHN CN1CC[C@@H]([N@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000310553552 803650210 /nfs/dbraw/zinc/65/02/10/803650210.db2.gz XGYPCBJRJDHISV-GFCCVEGCSA-N 0 3 254.761 2.182 20 10 CECDHN CN1CC[C@@H]([N@@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000310553552 803650212 /nfs/dbraw/zinc/65/02/12/803650212.db2.gz XGYPCBJRJDHISV-GFCCVEGCSA-N 0 3 254.761 2.182 20 10 CECDHN [NH3+]CC1(F)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC001222552637 803900155 /nfs/dbraw/zinc/90/01/55/803900155.db2.gz HIDYOQBLASWBBV-UHFFFAOYSA-N 0 3 290.741 2.448 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000722344743 804328179 /nfs/dbraw/zinc/32/81/79/804328179.db2.gz CXZBUSSCMZOZGW-YPMHNXCESA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCN(CC)C1=O)c1ccccc1[O-] ZINC000722362083 804384088 /nfs/dbraw/zinc/38/40/88/804384088.db2.gz XCWNRRRNTFHBIH-KBPBESRZSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000037142834 815026427 /nfs/dbraw/zinc/02/64/27/815026427.db2.gz ZWCGOLMGDDUGTR-LBPRGKRZSA-N 0 3 288.391 2.444 20 10 CECDHN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(F)ccc1[O-] ZINC000716660811 815138999 /nfs/dbraw/zinc/13/89/99/815138999.db2.gz LDDQBCWBLSIYKZ-RDDDGLTNSA-N 0 3 263.259 2.198 20 10 CECDHN CC[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1[O-] ZINC000716775030 815146708 /nfs/dbraw/zinc/14/67/08/815146708.db2.gz PSNRITTVXIRHTF-PWSUYJOCSA-N 0 3 259.296 2.449 20 10 CECDHN COc1cncc(CNCc2cccc(OC)c2O)c1 ZINC000699789695 807846373 /nfs/dbraw/zinc/84/63/73/807846373.db2.gz VJBQOCUTBOIWNL-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN Cc1cc(F)cc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1[O-] ZINC001238070939 808294220 /nfs/dbraw/zinc/29/42/20/808294220.db2.gz QCFSMHOBVGMKJU-LERXQTSPSA-N 0 3 265.328 2.306 20 10 CECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c1[O-] ZINC001238070939 808294223 /nfs/dbraw/zinc/29/42/23/808294223.db2.gz QCFSMHOBVGMKJU-LERXQTSPSA-N 0 3 265.328 2.306 20 10 CECDHN CN(C)C[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504201 809652470 /nfs/dbraw/zinc/65/24/70/809652470.db2.gz XGJUIYQAFJCIGP-SNVBAGLBSA-N 0 3 270.323 2.054 20 10 CECDHN CN(C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000703504201 809652472 /nfs/dbraw/zinc/65/24/72/809652472.db2.gz XGJUIYQAFJCIGP-SNVBAGLBSA-N 0 3 270.323 2.054 20 10 CECDHN CON1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000709288817 809959322 /nfs/dbraw/zinc/95/93/22/809959322.db2.gz YXMNNTYIMUOIRZ-NSHDSACASA-N 0 3 250.342 2.069 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000606445383 810246859 /nfs/dbraw/zinc/24/68/59/810246859.db2.gz COIWCSHGOACOKG-STQMWFEESA-N 0 3 297.420 2.146 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)c([O-])c1 ZINC000379242023 810689741 /nfs/dbraw/zinc/68/97/41/810689741.db2.gz XNNLMMFHLWSAPJ-XHDPSFHLSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H]([NH2+]CCc1cnccn1)c1cc(F)ccc1[O-] ZINC000390038512 813259626 /nfs/dbraw/zinc/25/96/26/813259626.db2.gz IVCXKABDVIGBIM-SNVBAGLBSA-N 0 3 261.300 2.215 20 10 CECDHN C[N@@H+]1C[C@H]2CCCN(Cc3cccc(F)c3[O-])[C@H]2C1 ZINC001138128304 815733728 /nfs/dbraw/zinc/73/37/28/815733728.db2.gz BJCPZVQHCIZEBX-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1C[C@H]2CCCN(Cc3cccc(F)c3[O-])[C@H]2C1 ZINC001138128304 815733735 /nfs/dbraw/zinc/73/37/35/815733735.db2.gz BJCPZVQHCIZEBX-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CCN(Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC001138351717 815772886 /nfs/dbraw/zinc/77/28/86/815772886.db2.gz YTWHRLFCYWWUKD-UHFFFAOYSA-N 0 3 286.379 2.270 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC[C@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173734483 815805421 /nfs/dbraw/zinc/80/54/21/815805421.db2.gz FWZNBLHHGMSPSS-AVGNSLFASA-N 0 3 287.367 2.213 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001140058224 816180783 /nfs/dbraw/zinc/18/07/83/816180783.db2.gz VOZXXRDZMKXROE-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001140058224 816180786 /nfs/dbraw/zinc/18/07/86/816180786.db2.gz VOZXXRDZMKXROE-CQSZACIVSA-N 0 3 251.301 2.286 20 10 CECDHN C[N@@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H]21 ZINC001140465555 816260713 /nfs/dbraw/zinc/26/07/13/816260713.db2.gz NOGZBDNKGAWTOU-GXFFZTMASA-N 0 3 266.772 2.182 20 10 CECDHN C[N@H+]1CC[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H]21 ZINC001140465555 816260719 /nfs/dbraw/zinc/26/07/19/816260719.db2.gz NOGZBDNKGAWTOU-GXFFZTMASA-N 0 3 266.772 2.182 20 10 CECDHN Cc1c(O)ccc(CN2CCc3cc(CO)ccc3C2)c1O ZINC001140743929 816340086 /nfs/dbraw/zinc/34/00/86/816340086.db2.gz FCXVEXPIMXPAPP-UHFFFAOYSA-N 0 3 299.370 2.457 20 10 CECDHN CCOC(=O)[C@H]1CN(Cc2ccc(C)cc2O)CCS1 ZINC001140954751 816424227 /nfs/dbraw/zinc/42/42/27/816424227.db2.gz XTCCMXSOJHJUNP-CQSZACIVSA-N 0 3 295.404 2.181 20 10 CECDHN COc1ccc(O)c(CN2CCN(C3CCCC3)CC2)c1 ZINC000133880807 366264790 /nfs/dbraw/zinc/26/47/90/366264790.db2.gz KYXSRSNJJVYBMP-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000093479748 364189257 /nfs/dbraw/zinc/18/92/57/364189257.db2.gz XKKDWUYJQPGDKX-OCZCAGDBSA-N 0 3 291.391 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3O)c1[O-] ZINC000093479748 364189261 /nfs/dbraw/zinc/18/92/61/364189261.db2.gz XKKDWUYJQPGDKX-OCZCAGDBSA-N 0 3 291.391 2.384 20 10 CECDHN CCC(O)(CC)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000112017925 364769691 /nfs/dbraw/zinc/76/96/91/364769691.db2.gz VBZUQOWJSLVLTI-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245854376 370880355 /nfs/dbraw/zinc/88/03/55/370880355.db2.gz NDCJJSOAEMAPBU-LRDDRELGSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1 ZINC000245854376 370880363 /nfs/dbraw/zinc/88/03/63/370880363.db2.gz NDCJJSOAEMAPBU-LRDDRELGSA-N 0 3 277.364 2.402 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180418834 368380189 /nfs/dbraw/zinc/38/01/89/368380189.db2.gz GGNUQQWRSBZQKV-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180418834 368380194 /nfs/dbraw/zinc/38/01/94/368380194.db2.gz GGNUQQWRSBZQKV-CYBMUJFWSA-N 0 3 263.337 2.228 20 10 CECDHN CC[C@](C)(CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182626674 368573634 /nfs/dbraw/zinc/57/36/34/368573634.db2.gz JIBQKDDLWAFUHV-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN CCC[NH+]1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC000188253842 369326157 /nfs/dbraw/zinc/32/61/57/369326157.db2.gz UBDYEDJIUZGNPW-UHFFFAOYSA-N 0 3 292.379 2.044 20 10 CECDHN CCOC1CC(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000188773487 369406981 /nfs/dbraw/zinc/40/69/81/369406981.db2.gz JBZOXRISGMWYDY-UHFFFAOYSA-N 0 3 293.363 2.416 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246477602 370967076 /nfs/dbraw/zinc/96/70/76/370967076.db2.gz OSMDVLATOFAECT-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000246477602 370967080 /nfs/dbraw/zinc/96/70/80/370967080.db2.gz OSMDVLATOFAECT-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)CCS1 ZINC000191668710 369732442 /nfs/dbraw/zinc/73/24/42/369732442.db2.gz AKBBZWBIRGXTII-JTQLQIEISA-N 0 3 281.377 2.448 20 10 CECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCS1 ZINC000191668710 369732448 /nfs/dbraw/zinc/73/24/48/369732448.db2.gz AKBBZWBIRGXTII-JTQLQIEISA-N 0 3 281.377 2.448 20 10 CECDHN CC1(C)CC(NC(=O)c2cccc(O)c2[O-])CC(C)(C)[NH2+]1 ZINC000192918013 369871820 /nfs/dbraw/zinc/87/18/20/369871820.db2.gz KKXBLQQUDZIYEK-UHFFFAOYSA-N 0 3 292.379 2.137 20 10 CECDHN CN(C)C1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000220929627 370234990 /nfs/dbraw/zinc/23/49/90/370234990.db2.gz VJMHJICJPAKIHO-UHFFFAOYSA-N 0 3 252.333 2.105 20 10 CECDHN CCC(CC)[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609924 370348542 /nfs/dbraw/zinc/34/85/42/370348542.db2.gz UYYNHWZHBBGVMY-AWEZNQCLSA-N 0 3 255.333 2.418 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1ccccc1[O-] ZINC000359990931 371497101 /nfs/dbraw/zinc/49/71/01/371497101.db2.gz CSRKREDUKSDROC-CIQGVGRVSA-N 0 3 274.364 2.052 20 10 CECDHN CC(C)OCCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000265872728 372031149 /nfs/dbraw/zinc/03/11/49/372031149.db2.gz JSMSFKYBXHTXFK-UHFFFAOYSA-N 0 3 281.352 2.368 20 10 CECDHN CC(C)OCCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000265872728 372031153 /nfs/dbraw/zinc/03/11/53/372031153.db2.gz JSMSFKYBXHTXFK-UHFFFAOYSA-N 0 3 281.352 2.368 20 10 CECDHN CC[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802956 372230577 /nfs/dbraw/zinc/23/05/77/372230577.db2.gz DZXNSTASFIFWFY-ZFWWWQNUSA-N 0 3 275.396 2.024 20 10 CECDHN Cc1cccc(CN2CCN([C@@H]3CCSC3)CC2)c1O ZINC000362046146 372185690 /nfs/dbraw/zinc/18/56/90/372185690.db2.gz NEWIIFQORUAVPF-OAHLLOKOSA-N 0 3 292.448 2.324 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC[C@H](C)CO)c1 ZINC000270229964 372710032 /nfs/dbraw/zinc/71/00/32/372710032.db2.gz AFDDSEIOXINEQW-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1 ZINC000364650370 372783751 /nfs/dbraw/zinc/78/37/51/372783751.db2.gz HBULFHJKBNYVNT-KRWDZBQOSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1 ZINC000364650370 372783756 /nfs/dbraw/zinc/78/37/56/372783756.db2.gz HBULFHJKBNYVNT-KRWDZBQOSA-N 0 3 288.391 2.145 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccccc1[O-] ZINC000367067892 373135235 /nfs/dbraw/zinc/13/52/35/373135235.db2.gz OWGQMUDJNLGYLR-WNMQOVRZSA-N 0 3 274.364 2.100 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN([C@H](C)CO)CC1 ZINC000367306772 373147090 /nfs/dbraw/zinc/14/70/90/373147090.db2.gz AMPCXIISNYKRNS-GDBMZVCRSA-N 0 3 292.423 2.232 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN([C@H](C)CO)CC1 ZINC000367306772 373147097 /nfs/dbraw/zinc/14/70/97/373147097.db2.gz AMPCXIISNYKRNS-GDBMZVCRSA-N 0 3 292.423 2.232 20 10 CECDHN CN(C)c1ccc(CN(C)C[C@H]2CCC[C@H]2O)cc1F ZINC000271252675 373185167 /nfs/dbraw/zinc/18/51/67/373185167.db2.gz ITKJYTFDRWAHDH-CZUORRHYSA-N 0 3 280.387 2.485 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1OC ZINC000271794270 373200415 /nfs/dbraw/zinc/20/04/15/373200415.db2.gz HQRSXLQFHNRNSX-ZYHUDNBSSA-N 0 3 281.352 2.067 20 10 CECDHN CCC[C@@](C)(N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000272482515 373508506 /nfs/dbraw/zinc/50/85/06/373508506.db2.gz RXHQHFQQUCTTET-OAHLLOKOSA-N 0 3 281.375 2.025 20 10 CECDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@H]1OC ZINC000272683491 373614487 /nfs/dbraw/zinc/61/44/87/373614487.db2.gz TWIOIYQQONZKDW-FVQBIDKESA-N 0 3 296.386 2.174 20 10 CECDHN COc1ccc(O)c([C@H](C)NC[C@@](C)(O)C(F)(F)F)c1 ZINC000273450703 373756770 /nfs/dbraw/zinc/75/67/70/373756770.db2.gz FYTNCGNWXBFCRK-QPUJVOFHSA-N 0 3 293.285 2.365 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c1 ZINC000273484348 373760526 /nfs/dbraw/zinc/76/05/26/373760526.db2.gz MXTAEFJRLUWPNH-LRDDRELGSA-N 0 3 279.380 2.139 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2cccnn2)CC1 ZINC000374897566 374636380 /nfs/dbraw/zinc/63/63/80/374636380.db2.gz QEDDMOFPZIKCTC-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2cccnn2)CC1 ZINC000374897566 374636385 /nfs/dbraw/zinc/63/63/85/374636385.db2.gz QEDDMOFPZIKCTC-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000284142254 375816523 /nfs/dbraw/zinc/81/65/23/375816523.db2.gz OUXQRIKYEVZOCE-OLZOCXBDSA-N 0 3 276.380 2.280 20 10 CECDHN C[C@@H](O)c1ncc(CNCc2ccccc2O)s1 ZINC000289046689 376386387 /nfs/dbraw/zinc/38/63/87/376386387.db2.gz BBIHYPORPDZPKE-SECBINFHSA-N 0 3 264.350 2.192 20 10 CECDHN COc1ccc(O)c(CN2CC=C(c3ccnn3C)CC2)c1 ZINC000289072619 376386620 /nfs/dbraw/zinc/38/66/20/376386620.db2.gz AIYXIXJDLRKBTD-UHFFFAOYSA-N 0 3 299.374 2.424 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c1 ZINC000294955512 378031068 /nfs/dbraw/zinc/03/10/68/378031068.db2.gz DMILLKQZVIORLE-AAEUAGOBSA-N 0 3 289.322 2.285 20 10 CECDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H](O)C(F)F ZINC000295128605 378043414 /nfs/dbraw/zinc/04/34/14/378043414.db2.gz XROMJWSRHATHKA-ZYHUDNBSSA-N 0 3 259.296 2.195 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295232214 378062001 /nfs/dbraw/zinc/06/20/01/378062001.db2.gz OBQRHXMBKGMNFV-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1 ZINC000295232214 378062008 /nfs/dbraw/zinc/06/20/08/378062008.db2.gz OBQRHXMBKGMNFV-CYBMUJFWSA-N 0 3 279.380 2.384 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1 ZINC000294802333 378020593 /nfs/dbraw/zinc/02/05/93/378020593.db2.gz PAYXVUBVCFKENQ-CQSZACIVSA-N 0 3 293.407 2.449 20 10 CECDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296964113 378660072 /nfs/dbraw/zinc/66/00/72/378660072.db2.gz RFYNVYBQGPFQQR-SKDRFNHKSA-N 0 3 275.270 2.282 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN(C)C)c1 ZINC000293651317 292014000 /nfs/dbraw/zinc/01/40/00/292014000.db2.gz LHVCMJMHDKWDNB-VXGBXAGGSA-N 0 3 294.395 2.027 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051991918 394557262 /nfs/dbraw/zinc/55/72/62/394557262.db2.gz LDEBEVOUTOHZAM-DGFSRKRXSA-N 0 3 265.353 2.355 20 10 CECDHN C[C@@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000118381770 394760588 /nfs/dbraw/zinc/76/05/88/394760588.db2.gz RZMFINMSBWQIDD-UWVGGRQHSA-N 0 3 281.377 2.447 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCc3nc(C)ncc3C2)c1[O-] ZINC000360256281 394795175 /nfs/dbraw/zinc/79/51/75/394795175.db2.gz YJOBPNREOFXUAW-AWEZNQCLSA-N 0 3 299.374 2.146 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1OC ZINC000362240328 394849914 /nfs/dbraw/zinc/84/99/14/394849914.db2.gz VEDDMMDRWNNPNZ-MLGOLLRUSA-N 0 3 293.363 2.067 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)C(=O)NC(C)(C)C)c1 ZINC000135727850 394967667 /nfs/dbraw/zinc/96/76/67/394967667.db2.gz YUPUEWMBZUFQRZ-GHMZBOCLSA-N 0 3 294.395 2.355 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376137316 395110442 /nfs/dbraw/zinc/11/04/42/395110442.db2.gz YRRMRSMCLGPDRM-TZMCWYRMSA-N 0 3 251.301 2.285 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376137316 395110445 /nfs/dbraw/zinc/11/04/45/395110445.db2.gz YRRMRSMCLGPDRM-TZMCWYRMSA-N 0 3 251.301 2.285 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000177873336 395157510 /nfs/dbraw/zinc/15/75/10/395157510.db2.gz UNBXNIPOCAXVJD-CZUORRHYSA-N 0 3 289.423 2.462 20 10 CECDHN CC[C@@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000182343904 395240779 /nfs/dbraw/zinc/24/07/79/395240779.db2.gz AUGLUFIVAZOBOG-WOPDTQHZSA-N 0 3 294.395 2.355 20 10 CECDHN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1O ZINC000182563189 395245761 /nfs/dbraw/zinc/24/57/61/395245761.db2.gz RAFQAVPHDPFSKE-NWDGAFQWSA-N 0 3 292.379 2.009 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccccc1[O-] ZINC000188487540 395316098 /nfs/dbraw/zinc/31/60/98/395316098.db2.gz JPRWAYBNVUQSBQ-WCQYABFASA-N 0 3 264.369 2.300 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccccc1[O-] ZINC000188487561 395316144 /nfs/dbraw/zinc/31/61/44/395316144.db2.gz JPRWAYBNVUQSBQ-YPMHNXCESA-N 0 3 264.369 2.300 20 10 CECDHN CC(C)[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])N1CCOCC1 ZINC000183395190 395255758 /nfs/dbraw/zinc/25/57/58/395255758.db2.gz NVQMOTGOVJXQCD-GDBMZVCRSA-N 0 3 292.423 2.400 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155740067 261106591 /nfs/dbraw/zinc/10/65/91/261106591.db2.gz JECCOCMWKMKBRY-ZBFHGGJFSA-N 0 3 291.439 2.069 20 10 CECDHN CCOCC[N@H+](CC)Cc1cccc(OC)c1[O-] ZINC000156022666 261111378 /nfs/dbraw/zinc/11/13/78/261111378.db2.gz JKYQKMAHPINQHI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOCC[N@@H+](CC)Cc1cccc(OC)c1[O-] ZINC000156022666 261111380 /nfs/dbraw/zinc/11/13/80/261111380.db2.gz JKYQKMAHPINQHI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCCNC(=O)CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000158300035 261163513 /nfs/dbraw/zinc/16/35/13/261163513.db2.gz MCGZBEPQZYFFTC-CYBMUJFWSA-N 0 3 277.412 2.320 20 10 CECDHN Cc1[nH]ncc1CN1CCOc2cc(N(C)C)ccc21 ZINC000184944915 262034949 /nfs/dbraw/zinc/03/49/49/262034949.db2.gz WHNFEZJHJFBNNF-UHFFFAOYSA-N 0 3 272.352 2.183 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)ccc1[O-] ZINC000185142675 262043615 /nfs/dbraw/zinc/04/36/15/262043615.db2.gz HOVKWAVECDYEBU-JQWIXIFHSA-N 0 3 252.333 2.276 20 10 CECDHN C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185674149 262065829 /nfs/dbraw/zinc/06/58/29/262065829.db2.gz YSKWLTZHDGPNJF-GVXVVHGQSA-N 0 3 283.343 2.376 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185787881 262070661 /nfs/dbraw/zinc/07/06/61/262070661.db2.gz YTIBJUGELYAXCX-NWDGAFQWSA-N 0 3 292.379 2.062 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000186220821 262084378 /nfs/dbraw/zinc/08/43/78/262084378.db2.gz DWSSRHOOAYMWRH-LLVKDONJSA-N 0 3 290.407 2.433 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)c([O-])c1 ZINC000186540789 262098039 /nfs/dbraw/zinc/09/80/39/262098039.db2.gz ZTOHUEWDQBRXIX-RVPKQNPDSA-N 0 3 255.383 2.118 20 10 CECDHN CN(C)c1ccc(CN2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291227287 263120986 /nfs/dbraw/zinc/12/09/86/263120986.db2.gz KAXOFKFKYQVQID-CYBMUJFWSA-N 0 3 284.350 2.202 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3c[nH]nc3C2)c1 ZINC000370395859 267316312 /nfs/dbraw/zinc/31/63/12/267316312.db2.gz JOERGYOFTLGWFX-PWSUYJOCSA-N 0 3 287.363 2.332 20 10 CECDHN C=Cn1cc(CNCc2ccc3c(c2)CCN3C)cn1 ZINC000377080171 268045467 /nfs/dbraw/zinc/04/54/67/268045467.db2.gz FFMKUUPIPRCINH-UHFFFAOYSA-N 0 3 268.364 2.266 20 10 CECDHN C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617708 278185202 /nfs/dbraw/zinc/18/52/02/278185202.db2.gz JWQITPJMKIVZKH-GHMZBOCLSA-N 0 3 280.343 2.193 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273587010 293100432 /nfs/dbraw/zinc/10/04/32/293100432.db2.gz OAXGDCVGZICDDC-STQMWFEESA-N 0 3 267.369 2.057 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000527959923 313221225 /nfs/dbraw/zinc/22/12/25/313221225.db2.gz ZUBKGTSUPATPFG-BPUTZDHNSA-N 0 3 279.380 2.281 20 10 CECDHN CCOC1CC(O)(C[NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000277711265 328222029 /nfs/dbraw/zinc/22/20/29/328222029.db2.gz MQMQASJMEHSXKM-UHFFFAOYSA-N 0 3 279.380 2.029 20 10 CECDHN COc1ccc(CN[C@H](CO)C[C@H](O)C(C)(C)C)cc1C ZINC000283800110 328245070 /nfs/dbraw/zinc/24/50/70/328245070.db2.gz AKDUUOJIWYCJEK-HOCLYGCPSA-N 0 3 295.423 2.251 20 10 CECDHN Cc1ccc(O)c(CN2CCOC3(CCOCC3)C2)c1 ZINC000091895950 327186958 /nfs/dbraw/zinc/18/69/58/327186958.db2.gz FIEPLILMEANOSE-UHFFFAOYSA-N 0 3 277.364 2.082 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392624 327193687 /nfs/dbraw/zinc/19/36/87/327193687.db2.gz KAHIZZJDQHESCO-GXFFZTMASA-N 0 3 253.342 2.068 20 10 CECDHN CC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378539854 329054354 /nfs/dbraw/zinc/05/43/54/329054354.db2.gz JGQMVCZSOVYYFM-MRXNPFEDSA-N 0 3 260.381 2.223 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(F)ccc1[O-] ZINC000186115701 329338121 /nfs/dbraw/zinc/33/81/21/329338121.db2.gz SMNYHSQUKUCIBW-JOYOIKCWSA-N 0 3 275.327 2.463 20 10 CECDHN CCOc1ccc(C[NH2+]CC23CC(C2)CO3)c([O-])c1 ZINC000527790725 330283456 /nfs/dbraw/zinc/28/34/56/330283456.db2.gz UITXDCGZTQZWDW-UHFFFAOYSA-N 0 3 263.337 2.060 20 10 CECDHN COc1ccc(CC[NH2+]Cc2ccccc2[O-])cn1 ZINC000527793919 330283842 /nfs/dbraw/zinc/28/38/42/330283842.db2.gz SXHWAQWBOINYPK-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN Cc1cccc(C[NH2+]CCNC(=O)OC(C)(C)C)c1[O-] ZINC000225927244 333242785 /nfs/dbraw/zinc/24/27/85/333242785.db2.gz FTOGZYZXDXMJFW-UHFFFAOYSA-N 0 3 280.368 2.315 20 10 CECDHN CCOc1cccc(C[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000230159856 333315506 /nfs/dbraw/zinc/31/55/06/333315506.db2.gz XSICSHWPOXDXNU-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C[NH+](C)C)C2)c1[O-] ZINC000079435158 518287552 /nfs/dbraw/zinc/28/75/52/518287552.db2.gz LUIZXYUNMCOJOV-GFCCVEGCSA-N 0 3 294.370 2.117 20 10 CECDHN CC(C)C[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290551203 519357408 /nfs/dbraw/zinc/35/74/08/519357408.db2.gz RUTWCPZXOFXQMW-CYBMUJFWSA-N 0 3 255.333 2.370 20 10 CECDHN CC(C)C[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290551203 519357416 /nfs/dbraw/zinc/35/74/16/519357416.db2.gz RUTWCPZXOFXQMW-CYBMUJFWSA-N 0 3 255.333 2.370 20 10 CECDHN CC(=O)Nc1ccc(CNCc2cccc(C)c2O)cn1 ZINC000279482012 519717384 /nfs/dbraw/zinc/71/73/84/519717384.db2.gz WUWMAUIRJKDEAG-UHFFFAOYSA-N 0 3 285.347 2.344 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275850381 521146139 /nfs/dbraw/zinc/14/61/39/521146139.db2.gz HXGQUTSXLVLFRF-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275850381 521146147 /nfs/dbraw/zinc/14/61/47/521146147.db2.gz HXGQUTSXLVLFRF-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275850381 521146155 /nfs/dbraw/zinc/14/61/55/521146155.db2.gz HXGQUTSXLVLFRF-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@H](C[NH2+][C@H](C)c1cc(OC)ccc1[O-])OC ZINC000290036185 522200321 /nfs/dbraw/zinc/20/03/21/522200321.db2.gz DFJISMDBSDWOHG-GHMZBOCLSA-N 0 3 253.342 2.476 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000291492579 522541100 /nfs/dbraw/zinc/54/11/00/522541100.db2.gz GUKFNXXBAKLQDD-UHFFFAOYSA-N 0 3 281.743 2.110 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H](O)COC)c1ccc(C)cc1[O-] ZINC000280151583 522596172 /nfs/dbraw/zinc/59/61/72/522596172.db2.gz QGAKUUUVVMTLBK-OCCSQVGLSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036976947 522923673 /nfs/dbraw/zinc/92/36/73/522923673.db2.gz RSUDVEGYJVJYAW-CHWSQXEVSA-N 0 3 262.353 2.102 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000290279680 524080194 /nfs/dbraw/zinc/08/01/94/524080194.db2.gz YXPCJNUOKJQLGW-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000290279680 524080195 /nfs/dbraw/zinc/08/01/95/524080195.db2.gz YXPCJNUOKJQLGW-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN COc1ccc(N2CCN(C[C@@H](O)C(C)(C)C)CC2)cc1 ZINC000059322678 524427679 /nfs/dbraw/zinc/42/76/79/524427679.db2.gz HZGVHSYPZMUOMS-MRXNPFEDSA-N 0 3 292.423 2.224 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279736168 524741169 /nfs/dbraw/zinc/74/11/69/524741169.db2.gz WRIXKMCQKOKRSV-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279736168 524741176 /nfs/dbraw/zinc/74/11/76/524741176.db2.gz WRIXKMCQKOKRSV-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc(O)c(CNCc2cccc3c2OCO3)c1 ZINC000040667094 524753194 /nfs/dbraw/zinc/75/31/94/524753194.db2.gz RAZFBQLLQGGBSK-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN COc1ccc(O)c(CN[C@H]2CCCc3c2cnn3C)c1 ZINC000037087196 524754719 /nfs/dbraw/zinc/75/47/19/524754719.db2.gz QUPZJIGISJUSDX-AWEZNQCLSA-N 0 3 287.363 2.302 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@@H](C)O)c1 ZINC000228044675 524763558 /nfs/dbraw/zinc/76/35/58/524763558.db2.gz WMACOPKNVDSJBC-GHMZBOCLSA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037157733 524772725 /nfs/dbraw/zinc/77/27/25/524772725.db2.gz IKGIKPQDVNQYCH-RYUDHWBXSA-N 0 3 275.352 2.337 20 10 CECDHN C[C@H]1C[C@@H](CO)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000290286721 524784496 /nfs/dbraw/zinc/78/44/96/524784496.db2.gz ZQZXDWOZNPADSQ-JSGCOSHPSA-N 0 3 280.387 2.485 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367709961 524866982 /nfs/dbraw/zinc/86/69/82/524866982.db2.gz ULZAELRTOJUUCJ-SNVBAGLBSA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000367709961 524866992 /nfs/dbraw/zinc/86/69/92/524866992.db2.gz ULZAELRTOJUUCJ-SNVBAGLBSA-N 0 3 282.771 2.051 20 10 CECDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])c1cccs1 ZINC000265802924 525178026 /nfs/dbraw/zinc/17/80/26/525178026.db2.gz TWFHBAPJNHKNMO-AWEZNQCLSA-N 0 3 263.362 2.451 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000071409399 525355377 /nfs/dbraw/zinc/35/53/77/525355377.db2.gz LGCZSHHMSIGJMM-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN CSC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000266168142 525717861 /nfs/dbraw/zinc/71/78/61/525717861.db2.gz QCUSGXOKOLPNNU-CQSZACIVSA-N 0 3 269.410 2.213 20 10 CECDHN Cc1ccc([C@H](O)C[NH2+]Cc2cc(F)ccc2[O-])o1 ZINC000272366170 525977063 /nfs/dbraw/zinc/97/70/63/525977063.db2.gz FXWOOCTVCDDYRT-CYBMUJFWSA-N 0 3 265.284 2.256 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000037648364 526373687 /nfs/dbraw/zinc/37/36/87/526373687.db2.gz BEEVKVXFMWCBET-NSHDSACASA-N 0 3 288.313 2.366 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000063218154 527580265 /nfs/dbraw/zinc/58/02/65/527580265.db2.gz IQSMBJVFCKJXSZ-OAHLLOKOSA-N 0 3 257.333 2.085 20 10 CECDHN CC[C@@](C)(CC(=O)OC)[NH2+]Cc1ccccc1[O-] ZINC000748242536 574437927 /nfs/dbraw/zinc/43/79/27/574437927.db2.gz OVFQIUDMZWFTGI-AWEZNQCLSA-N 0 3 251.326 2.214 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)COC)c([O-])c1 ZINC000727472142 574452181 /nfs/dbraw/zinc/45/21/81/574452181.db2.gz XIPWFTNFHRTOQF-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731872387 574604398 /nfs/dbraw/zinc/60/43/98/574604398.db2.gz HQBKWNLNTYCVBN-LLVKDONJSA-N 0 3 282.409 2.304 20 10 CECDHN CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000731872387 574604399 /nfs/dbraw/zinc/60/43/99/574604399.db2.gz HQBKWNLNTYCVBN-LLVKDONJSA-N 0 3 282.409 2.304 20 10 CECDHN O=C(c1cc([O-])cs1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000732287766 574618034 /nfs/dbraw/zinc/61/80/34/574618034.db2.gz FZDWHBARJNUDSF-LLVKDONJSA-N 0 3 280.393 2.154 20 10 CECDHN CO[C@H](CNCc1cc(C)ccc1O)C(F)(F)F ZINC000733328934 574664424 /nfs/dbraw/zinc/66/44/24/574664424.db2.gz HVGWUHBOKUTMPL-LLVKDONJSA-N 0 3 263.259 2.368 20 10 CECDHN COc1ccc(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000742392553 575019770 /nfs/dbraw/zinc/01/97/70/575019770.db2.gz QPKMECXAPRPNCZ-KCPJHIHWSA-N 0 3 288.391 2.103 20 10 CECDHN C[C@@H](CC(N)=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000749132475 575206690 /nfs/dbraw/zinc/20/66/90/575206690.db2.gz PNLPESIMLGOMIZ-AWEZNQCLSA-N 0 3 289.423 2.276 20 10 CECDHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1ccncc1 ZINC000749294399 575212865 /nfs/dbraw/zinc/21/28/65/575212865.db2.gz GQIBHVBEKUBEQF-LLVKDONJSA-N 0 3 286.331 2.409 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCO[C@@H]1CCCCO1 ZINC000813333027 623156137 /nfs/dbraw/zinc/15/61/37/623156137.db2.gz IFPDTIINZSUGEF-CQSZACIVSA-N 0 3 251.326 2.025 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891714118 623921069 /nfs/dbraw/zinc/92/10/69/623921069.db2.gz SFJMQDXKJOILLU-KBPBESRZSA-N 0 3 295.354 2.458 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891714118 623921071 /nfs/dbraw/zinc/92/10/71/623921071.db2.gz SFJMQDXKJOILLU-KBPBESRZSA-N 0 3 295.354 2.458 20 10 CECDHN COc1ccc(O)c(CNCc2cccc(C)n2)c1 ZINC000051574702 624450452 /nfs/dbraw/zinc/45/04/52/624450452.db2.gz MUVPIORWMQOSHH-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C1(CO)CC1 ZINC000829208205 624839545 /nfs/dbraw/zinc/83/95/45/624839545.db2.gz GYGCUPPLXLMMQJ-VHSXEESVSA-N 0 3 253.317 2.343 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(CCO)CCOC2)c1 ZINC000185777023 628238699 /nfs/dbraw/zinc/23/86/99/628238699.db2.gz IATOOUWEXZQOHM-CJNGLKHVSA-N 0 3 279.380 2.140 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCC(=O)NC1CCCC1 ZINC000840932914 628750301 /nfs/dbraw/zinc/75/03/01/628750301.db2.gz WDVCWEVDPMLPPQ-UHFFFAOYSA-N 0 3 289.423 2.209 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106917593 628856401 /nfs/dbraw/zinc/85/64/01/628856401.db2.gz UBQCQLYNWOCAHQ-ABAIWWIYSA-N 0 3 294.395 2.164 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(C)C ZINC000840967049 628935910 /nfs/dbraw/zinc/93/59/10/628935910.db2.gz CSMABXLGPBWROL-GXTWGEPZSA-N 0 3 255.333 2.416 20 10 CECDHN COc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)c([O-])c1 ZINC000894185904 629195675 /nfs/dbraw/zinc/19/56/75/629195675.db2.gz UMBSDEGHUHAEAV-FFKNIBCLSA-N 0 3 277.364 2.448 20 10 CECDHN CC[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccc(C)cc1[O-] ZINC000794815019 629327614 /nfs/dbraw/zinc/32/76/14/629327614.db2.gz HBNMINGVLHAFNQ-GFCCVEGCSA-N 0 3 264.369 2.253 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000794815300 629327931 /nfs/dbraw/zinc/32/79/31/629327931.db2.gz JTNGOXHZLIKEGC-DGCLKSJQSA-N 0 3 264.369 2.218 20 10 CECDHN COc1ccc(CN[C@H](C)C2(S(C)(=O)=O)CC2)cc1C ZINC000796488074 629919182 /nfs/dbraw/zinc/91/91/82/629919182.db2.gz BSDCURABXNNONO-GFCCVEGCSA-N 0 3 297.420 2.059 20 10 CECDHN Oc1cc2c(cc1CN1CCC(F)(F)CC1)[C@H](O)CO2 ZINC000794686426 630012690 /nfs/dbraw/zinc/01/26/90/630012690.db2.gz QBGUTFUUUCVGSD-GFCCVEGCSA-N 0 3 285.290 2.049 20 10 CECDHN Oc1cc2c(cc1CN1CCC(F)(F)CC1)[C@@H](O)CO2 ZINC000794686433 630012938 /nfs/dbraw/zinc/01/29/38/630012938.db2.gz QBGUTFUUUCVGSD-LBPRGKRZSA-N 0 3 285.290 2.049 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845122 630368882 /nfs/dbraw/zinc/36/88/82/630368882.db2.gz NFOVRPMKYOBSAB-WFASDCNBSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895845122 630368886 /nfs/dbraw/zinc/36/88/86/630368886.db2.gz NFOVRPMKYOBSAB-WFASDCNBSA-N 0 3 277.364 2.402 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000896956557 630842422 /nfs/dbraw/zinc/84/24/22/630842422.db2.gz UGQSOWNGMTXIMU-CYBMUJFWSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000896956557 630842430 /nfs/dbraw/zinc/84/24/30/630842430.db2.gz UGQSOWNGMTXIMU-CYBMUJFWSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1Cl ZINC000824948767 635530248 /nfs/dbraw/zinc/53/02/48/635530248.db2.gz GZDDCABDAKFLHE-VXGBXAGGSA-N 0 3 266.772 2.005 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)Cc1ccccc1 ZINC000799349818 631018397 /nfs/dbraw/zinc/01/83/97/631018397.db2.gz KQJUARRLTXLCAC-INIZCTEOSA-N 0 3 271.360 2.476 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000310711646 631123456 /nfs/dbraw/zinc/12/34/56/631123456.db2.gz CTSJFYXOSZBHFK-GWCFXTLKSA-N 0 3 253.317 2.172 20 10 CECDHN COCCO[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653364 631440834 /nfs/dbraw/zinc/44/08/34/631440834.db2.gz SYAWQAJNSKEEIN-AWEZNQCLSA-N 0 3 283.343 2.159 20 10 CECDHN COCCO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000802653364 631440836 /nfs/dbraw/zinc/44/08/36/631440836.db2.gz SYAWQAJNSKEEIN-AWEZNQCLSA-N 0 3 283.343 2.159 20 10 CECDHN C[C@H]([NH2+]C[C@@H](CO)c1cccnc1)c1ccccc1[O-] ZINC000806178830 631724773 /nfs/dbraw/zinc/72/47/73/631724773.db2.gz JOIYHIZSTRVELO-JSGCOSHPSA-N 0 3 272.348 2.214 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@H]1CCC[NH2+]C1 ZINC000841033169 631819625 /nfs/dbraw/zinc/81/96/25/631819625.db2.gz OCXFELBSGAJXRS-VIFPVBQESA-N 0 3 272.751 2.274 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000808420567 631960714 /nfs/dbraw/zinc/96/07/14/631960714.db2.gz IZANQGHVIKDFNK-CQSZACIVSA-N 0 3 287.359 2.094 20 10 CECDHN CC[C@H](NCc1cn(C)nc1OC)c1ccccc1O ZINC000898026387 632020610 /nfs/dbraw/zinc/02/06/10/632020610.db2.gz VSFMGSLUFZNKGO-ZDUSSCGKSA-N 0 3 275.352 2.375 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)c([O-])c1 ZINC000810174261 632191892 /nfs/dbraw/zinc/19/18/92/632191892.db2.gz QTNDJKHPNOCGJQ-GHMZBOCLSA-N 0 3 253.342 2.304 20 10 CECDHN COCC[C@@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000812299620 632505582 /nfs/dbraw/zinc/50/55/82/632505582.db2.gz ODASZFGSPKFJOE-OAHLLOKOSA-N 0 3 279.380 2.246 20 10 CECDHN CC[C@@H]([NH2+]C1COCCOC1)c1ccc(C)cc1[O-] ZINC000813880802 632751531 /nfs/dbraw/zinc/75/15/31/632751531.db2.gz PXNNIIQSIFGKOT-CQSZACIVSA-N 0 3 265.353 2.157 20 10 CECDHN [O-]c1c(C[N@H+]2CC[C@](F)(CO)C2)ccc2ccccc12 ZINC000816600858 633421073 /nfs/dbraw/zinc/42/10/73/633421073.db2.gz JOOCDFFSOCCQJK-MRXNPFEDSA-N 0 3 275.323 2.452 20 10 CECDHN [O-]c1c(C[N@@H+]2CC[C@](F)(CO)C2)ccc2ccccc12 ZINC000816600858 633421077 /nfs/dbraw/zinc/42/10/77/633421077.db2.gz JOOCDFFSOCCQJK-MRXNPFEDSA-N 0 3 275.323 2.452 20 10 CECDHN C[C@@H](C[NH3+])N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817970387 633808810 /nfs/dbraw/zinc/80/88/10/633808810.db2.gz UKCZTBLQOQDLFS-BQBZGAKWSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817970182 633812882 /nfs/dbraw/zinc/81/28/82/633812882.db2.gz NLPVHLNKXCOHLC-YUMQZZPRSA-N 0 3 273.174 2.153 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccc(F)cc1[O-] ZINC000817972627 633815033 /nfs/dbraw/zinc/81/50/33/633815033.db2.gz YUPWLFSBZGQKLI-GBIKHYSHSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1ccc(F)cc1[O-] ZINC000817984564 633825940 /nfs/dbraw/zinc/82/59/40/633825940.db2.gz UHYIGKOFENCBQQ-ZYHUDNBSSA-N 0 3 252.333 2.324 20 10 CECDHN COc1ccc(O)c(CN2CC(CC(F)F)C2)c1 ZINC000822521040 634936276 /nfs/dbraw/zinc/93/62/76/634936276.db2.gz WDVANAXGBULOAH-UHFFFAOYSA-N 0 3 257.280 2.488 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000903343204 635071542 /nfs/dbraw/zinc/07/15/42/635071542.db2.gz NMUCIGPNYHIDTD-ZIAGYGMSSA-N 0 3 278.396 2.154 20 10 CECDHN CCC1([NH3+])CCN(Cc2cccc(F)c2[O-])CC1 ZINC000903945960 635377656 /nfs/dbraw/zinc/37/76/56/635377656.db2.gz BBBZTEJEGYAALK-UHFFFAOYSA-N 0 3 252.333 2.235 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2CC)c([O-])c1 ZINC000824637171 635468670 /nfs/dbraw/zinc/46/86/70/635468670.db2.gz WKMGHIIEXAMRLA-DZGCQCFKSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)c([O-])c1 ZINC000824637171 635468672 /nfs/dbraw/zinc/46/86/72/635468672.db2.gz WKMGHIIEXAMRLA-DZGCQCFKSA-N 0 3 279.380 2.384 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1(CF)CCOCC1 ZINC000824795254 635499772 /nfs/dbraw/zinc/49/97/72/635499772.db2.gz QXJZDVHPEFEYSY-UHFFFAOYSA-N 0 3 271.307 2.387 20 10 CECDHN COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000824854871 635512343 /nfs/dbraw/zinc/51/23/43/635512343.db2.gz YPWLOSHJXBINAV-OLZOCXBDSA-N 0 3 281.327 2.353 20 10 CECDHN CC[C@@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019831 635747450 /nfs/dbraw/zinc/74/74/50/635747450.db2.gz LDEXJOJQDMQTPY-OAHLLOKOSA-N 0 3 277.412 2.229 20 10 CECDHN Cc1cccc(C[NH2+]Cc2cccc(-c3nn[n-]n3)c2)c1O ZINC000826298217 635770439 /nfs/dbraw/zinc/77/04/39/635770439.db2.gz JEVHLPKIITUFCM-UHFFFAOYSA-N 0 3 295.346 2.171 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([O-])c1 ZINC000827594769 636362478 /nfs/dbraw/zinc/36/24/78/636362478.db2.gz JMAAWGQMYZFOMD-UONOGXRCSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c([O-])c1 ZINC000827594769 636362483 /nfs/dbraw/zinc/36/24/83/636362483.db2.gz JMAAWGQMYZFOMD-UONOGXRCSA-N 0 3 277.364 2.259 20 10 CECDHN C[C@H](CO)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121393420 637108855 /nfs/dbraw/zinc/10/88/55/637108855.db2.gz WUICVIPUOWCRAS-ZFWWWQNUSA-N 0 3 279.380 2.002 20 10 CECDHN C[C@H](CO)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121393420 637108864 /nfs/dbraw/zinc/10/88/64/637108864.db2.gz WUICVIPUOWCRAS-ZFWWWQNUSA-N 0 3 279.380 2.002 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1c(C)cccc1[O-] ZINC000876630647 650367423 /nfs/dbraw/zinc/36/74/23/650367423.db2.gz HEPRPBHEGSFQAI-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1c(C)cccc1[O-] ZINC000876630647 650367426 /nfs/dbraw/zinc/36/74/26/650367426.db2.gz HEPRPBHEGSFQAI-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)c1ccco1)CC2 ZINC000834502163 637849562 /nfs/dbraw/zinc/84/95/62/637849562.db2.gz NFZGTMGAVHOWCU-DGCLKSJQSA-N 0 3 259.305 2.296 20 10 CECDHN C[C@@H](Cc1cnccn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834544583 637860463 /nfs/dbraw/zinc/86/04/63/637860463.db2.gz NWKGLKLCVFEBCF-SMDDNHRTSA-N 0 3 269.348 2.390 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NC ZINC000834912418 637986104 /nfs/dbraw/zinc/98/61/04/637986104.db2.gz LXKUVTIJLJMFHF-MIMYLULJSA-N 0 3 280.343 2.194 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CC)C(=O)NC)c1ccc(C)cc1[O-] ZINC000834910889 637986334 /nfs/dbraw/zinc/98/63/34/637986334.db2.gz GJRLGWMITDSSSC-OLZOCXBDSA-N 0 3 264.369 2.266 20 10 CECDHN COCCOCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835057001 638041939 /nfs/dbraw/zinc/04/19/39/638041939.db2.gz XLDHZFJDFAOZGM-AATRIKPKSA-N 0 3 292.423 2.361 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000876918966 650486079 /nfs/dbraw/zinc/48/60/79/650486079.db2.gz PVTOUCZBNHFZGH-CQSZACIVSA-N 0 3 287.359 2.230 20 10 CECDHN Cc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)c([O-])c1 ZINC000876941968 650498084 /nfs/dbraw/zinc/49/80/84/650498084.db2.gz RVHCBZYWPZYTBX-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN CNC(=O)[C@H]1CCCCN1Cc1ccc(N(C)C)cc1C ZINC000840910031 639583330 /nfs/dbraw/zinc/58/33/30/639583330.db2.gz JSKZQELFUINKPB-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN COC(=O)N1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876972265 650513026 /nfs/dbraw/zinc/51/30/26/650513026.db2.gz YRLVUFMRTDHTFQ-UHFFFAOYSA-N 0 3 278.352 2.021 20 10 CECDHN C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc(Cl)c1[O-] ZINC000841064480 639639642 /nfs/dbraw/zinc/63/96/42/639639642.db2.gz GSPYMFBOLFJUEW-CABZTGNLSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C ZINC000312064491 639994333 /nfs/dbraw/zinc/99/43/33/639994333.db2.gz DXMDSHBESRGEOI-BNOWGMLFSA-N 0 3 260.381 2.452 20 10 CECDHN CN(C)c1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1 ZINC000842720374 640158738 /nfs/dbraw/zinc/15/87/38/640158738.db2.gz GRKUPTGQWGEIEM-HNNXBMFYSA-N 0 3 289.423 2.242 20 10 CECDHN Oc1ccccc1CN1CCO[C@@]2(CCSC2)C1 ZINC000843417390 640421950 /nfs/dbraw/zinc/42/19/50/640421950.db2.gz FIFIQWVDPANNLN-AWEZNQCLSA-N 0 3 265.378 2.100 20 10 CECDHN CCC[C@H](C)[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846017895 641153006 /nfs/dbraw/zinc/15/30/06/641153006.db2.gz RBXUQBSZSORFCQ-GWCFXTLKSA-N 0 3 255.333 2.418 20 10 CECDHN C[C@@H](COCC1CC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846072867 641173032 /nfs/dbraw/zinc/17/30/32/641173032.db2.gz JRIFUAUMJRADND-JTQLQIEISA-N 0 3 253.317 2.436 20 10 CECDHN C[C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H](C)[NH2+]1 ZINC000070075303 641628346 /nfs/dbraw/zinc/62/83/46/641628346.db2.gz LTGGPBGPUYDDLZ-UWVGGRQHSA-N 0 3 254.761 2.228 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877490634 650747629 /nfs/dbraw/zinc/74/76/29/650747629.db2.gz BENSILCJIZGAHZ-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN COc1ccc(N2CC[C@H](NCc3cnc(C)nc3)C2)cc1 ZINC000850346131 642675197 /nfs/dbraw/zinc/67/51/97/642675197.db2.gz QIQXCRCILXQFFS-HNNXBMFYSA-N 0 3 298.390 2.162 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1SCCS1 ZINC000850401513 642701730 /nfs/dbraw/zinc/70/17/30/642701730.db2.gz HECMLEGKTPUQKW-UHFFFAOYSA-N 0 3 271.407 2.297 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C/C=C\CO)c2c1c(F)ccc2[O-] ZINC000850507743 642735259 /nfs/dbraw/zinc/73/52/59/642735259.db2.gz HPGJXTGHONBQET-NWRGJWMSSA-N 0 3 251.301 2.218 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C/C=C/CO)c2c1c(F)ccc2[O-] ZINC000850507737 642735388 /nfs/dbraw/zinc/73/53/88/642735388.db2.gz HPGJXTGHONBQET-GZWSGWKISA-N 0 3 251.301 2.218 20 10 CECDHN COC[C@H](NCc1ccc2c(c1)CCCO2)[C@H]1CCCO1 ZINC000922078723 642866796 /nfs/dbraw/zinc/86/67/96/642866796.db2.gz GUXAQOKWMQQZTK-DOTOQJQBSA-N 0 3 291.391 2.295 20 10 CECDHN COC[C@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922078725 642867259 /nfs/dbraw/zinc/86/72/59/642867259.db2.gz GUXAQOKWMQQZTK-RDJZCZTQSA-N 0 3 291.391 2.295 20 10 CECDHN COC(=O)[C@@H]1CSCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591892 650803884 /nfs/dbraw/zinc/80/38/84/650803884.db2.gz AOKDFVUPAUUMIY-ZDUSSCGKSA-N 0 3 295.404 2.039 20 10 CECDHN COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591892 650803885 /nfs/dbraw/zinc/80/38/85/650803885.db2.gz AOKDFVUPAUUMIY-ZDUSSCGKSA-N 0 3 295.404 2.039 20 10 CECDHN Cc1ccc(C[NH2+]CCO[C@H]2CC2(F)F)c([O-])c1 ZINC000877626841 650820604 /nfs/dbraw/zinc/82/06/04/650820604.db2.gz BNIJCLXAGJFYFW-LBPRGKRZSA-N 0 3 257.280 2.214 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877652458 650834658 /nfs/dbraw/zinc/83/46/58/650834658.db2.gz VSZQIJVRXGZCFJ-GFCCVEGCSA-N 0 3 261.321 2.052 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877652828 650834826 /nfs/dbraw/zinc/83/48/26/650834826.db2.gz ZHSIQXMIJTWMNE-CYBMUJFWSA-N 0 3 261.321 2.052 20 10 CECDHN C[C@H]([NH2+]C1CCN(C(=O)N(C)C)CC1)c1ccccc1[O-] ZINC000877757083 650899710 /nfs/dbraw/zinc/89/97/10/650899710.db2.gz FMQPXHHMDRWOKI-LBPRGKRZSA-N 0 3 291.395 2.189 20 10 CECDHN Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)c([O-])c1 ZINC000877806746 650916964 /nfs/dbraw/zinc/91/69/64/650916964.db2.gz LZEJWJVXUOWXMP-GFCCVEGCSA-N 0 3 263.337 2.134 20 10 CECDHN CCCNC(=O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756355046 644634170 /nfs/dbraw/zinc/63/41/70/644634170.db2.gz GDHSMFFWUYPHNJ-ONGXEEELSA-N 0 3 280.343 2.195 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756733922 644687411 /nfs/dbraw/zinc/68/74/11/644687411.db2.gz RSQNCZFZQCQEGT-STQMWFEESA-N 0 3 267.369 2.403 20 10 CECDHN CCn1cnnc1CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756733303 644687418 /nfs/dbraw/zinc/68/74/18/644687418.db2.gz OLWGVLRBQIUQAB-GFCCVEGCSA-N 0 3 274.368 2.205 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCOCC2)c([O-])c1 ZINC000757660050 644832688 /nfs/dbraw/zinc/83/26/88/644832688.db2.gz ZFYCLKMMDBKIJW-IUODEOHRSA-N 0 3 279.380 2.139 20 10 CECDHN C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(F)ccc1[O-] ZINC000757706522 644838806 /nfs/dbraw/zinc/83/88/06/644838806.db2.gz WCDSGMWUGLXSAI-VIFPVBQESA-N 0 3 269.316 2.333 20 10 CECDHN [NH3+][C@@]12CCC[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC000857226780 644859890 /nfs/dbraw/zinc/85/98/90/644859890.db2.gz ZDCRWAFHPONXSD-QMTHXVAHSA-N 0 3 266.772 2.359 20 10 CECDHN CN(C)c1cc(F)c(CNC(C)(C)CCO)cc1F ZINC000858146282 645074478 /nfs/dbraw/zinc/07/44/78/645074478.db2.gz BQSPNOYBWOANAW-UHFFFAOYSA-N 0 3 272.339 2.281 20 10 CECDHN CC(C)[C@@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858148798 645075366 /nfs/dbraw/zinc/07/53/66/645075366.db2.gz LMAZHQQCWKATFV-CYBMUJFWSA-N 0 3 272.339 2.137 20 10 CECDHN C[C@@H](NCc1cc(F)c(N(C)C)cc1F)C1(CO)CC1 ZINC000858188620 645083675 /nfs/dbraw/zinc/08/36/75/645083675.db2.gz HIDKEYBZVPOYSI-SNVBAGLBSA-N 0 3 284.350 2.281 20 10 CECDHN C[C@@H]([NH2+]CCOC1CCOCC1)c1ccccc1[O-] ZINC000859229049 645429780 /nfs/dbraw/zinc/42/97/80/645429780.db2.gz HTAIECQGQUKAMF-GFCCVEGCSA-N 0 3 265.353 2.238 20 10 CECDHN C[N@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437723 646122983 /nfs/dbraw/zinc/12/29/83/646122983.db2.gz FIUPTOVXXKJUKE-MRXNPFEDSA-N 0 3 285.343 2.450 20 10 CECDHN C[N@@H+](Cc1ccccc1)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768437723 646122986 /nfs/dbraw/zinc/12/29/86/646122986.db2.gz FIUPTOVXXKJUKE-MRXNPFEDSA-N 0 3 285.343 2.450 20 10 CECDHN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447251 646123887 /nfs/dbraw/zinc/12/38/87/646123887.db2.gz NSLHLZGKBNIORS-ISTVAULSSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768447251 646123890 /nfs/dbraw/zinc/12/38/90/646123890.db2.gz NSLHLZGKBNIORS-ISTVAULSSA-N 0 3 295.404 2.144 20 10 CECDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768463061 646126944 /nfs/dbraw/zinc/12/69/44/646126944.db2.gz FPFOTVLJCBEECH-CYBMUJFWSA-N 0 3 295.404 2.145 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768463061 646126948 /nfs/dbraw/zinc/12/69/48/646126948.db2.gz FPFOTVLJCBEECH-CYBMUJFWSA-N 0 3 295.404 2.145 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465710 646128132 /nfs/dbraw/zinc/12/81/32/646128132.db2.gz QQKVEBNTLRKNDH-XHDPSFHLSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)[C@H](O)CO2 ZINC000768465710 646128134 /nfs/dbraw/zinc/12/81/34/646128134.db2.gz QQKVEBNTLRKNDH-XHDPSFHLSA-N 0 3 275.348 2.050 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000768518950 646134839 /nfs/dbraw/zinc/13/48/39/646134839.db2.gz JRIJIKBADOPYFK-OLZOCXBDSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000768518950 646134841 /nfs/dbraw/zinc/13/48/41/646134841.db2.gz JRIJIKBADOPYFK-OLZOCXBDSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@H+](CCCCO)C1CC1 ZINC000769404006 646261317 /nfs/dbraw/zinc/26/13/17/646261317.db2.gz HFWYVXPNFIMBAY-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](CCCCO)C1CC1 ZINC000769404006 646261320 /nfs/dbraw/zinc/26/13/20/646261320.db2.gz HFWYVXPNFIMBAY-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCOC[C@@H]2C)c([O-])c1 ZINC000769457156 646270428 /nfs/dbraw/zinc/27/04/28/646270428.db2.gz NWDRINAASNFVBF-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCOC[C@@H]2C)c([O-])c1 ZINC000769457156 646270433 /nfs/dbraw/zinc/27/04/33/646270433.db2.gz NWDRINAASNFVBF-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000769531542 646283589 /nfs/dbraw/zinc/28/35/89/646283589.db2.gz GSJCQVYCBQJAKV-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000769531542 646283592 /nfs/dbraw/zinc/28/35/92/646283592.db2.gz GSJCQVYCBQJAKV-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000769710562 646304843 /nfs/dbraw/zinc/30/48/43/646304843.db2.gz NCEJNOWWMOYAQI-QWRGUYRKSA-N 0 3 251.326 2.058 20 10 CECDHN CN(C)c1cc(F)c(CN(C)C[C@@H]2CCOC2)cc1F ZINC000862250688 646381331 /nfs/dbraw/zinc/38/13/31/646381331.db2.gz OIDUAFSZCPDUSX-NSHDSACASA-N 0 3 284.350 2.499 20 10 CECDHN COC(=O)C1(CNCc2cc(F)c(N(C)C)cc2F)CC1 ZINC000862331462 646401659 /nfs/dbraw/zinc/40/16/59/646401659.db2.gz KZFQIRSWDIIOPZ-UHFFFAOYSA-N 0 3 298.333 2.074 20 10 CECDHN Cc1cccc(CN[C@@](C)(CO)c2cccc(O)c2)c1O ZINC000862432609 646457914 /nfs/dbraw/zinc/45/79/14/646457914.db2.gz KHTXILJTEBSZMS-KRWDZBQOSA-N 0 3 287.359 2.404 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CC=C(C(=O)OC)C2)c([O-])c1 ZINC000862465761 646470196 /nfs/dbraw/zinc/47/01/96/646470196.db2.gz SXDSMKHBXDMJDM-CYBMUJFWSA-N 0 3 291.347 2.142 20 10 CECDHN Cc1ccc(O)c(CNC(=O)CN2[C@@H](C)CC[C@@H]2C)c1 ZINC000862761004 646559860 /nfs/dbraw/zinc/55/98/60/646559860.db2.gz ZQYZNTVLBXZWGC-STQMWFEESA-N 0 3 276.380 2.190 20 10 CECDHN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1 ZINC000863483988 646740513 /nfs/dbraw/zinc/74/05/13/646740513.db2.gz GECSVRRHAJEBPY-GXSJLCMTSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@H]1CC[C@@H](NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483988 646740516 /nfs/dbraw/zinc/74/05/16/646740516.db2.gz GECSVRRHAJEBPY-GXSJLCMTSA-N 0 3 254.761 2.276 20 10 CECDHN CCN(C)c1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC000773848975 646780974 /nfs/dbraw/zinc/78/09/74/646780974.db2.gz QVVGHPZGQCACIN-INIZCTEOSA-N 0 3 285.395 2.181 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(CCOC)CCOC2)c([O-])c1 ZINC000775035357 646917643 /nfs/dbraw/zinc/91/76/43/646917643.db2.gz YYCFALIWQSEUQK-INIZCTEOSA-N 0 3 295.379 2.076 20 10 CECDHN CC[C@H]([NH2+][C@H](C)COCCOC)c1ccccc1[O-] ZINC000775527218 646962827 /nfs/dbraw/zinc/96/28/27/646962827.db2.gz PCOVTIFEBZXSBY-OCCSQVGLSA-N 0 3 267.369 2.484 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000778216196 647211110 /nfs/dbraw/zinc/21/11/10/647211110.db2.gz KDVLONQKLHPRFG-WFASDCNBSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1ccccc1[O-] ZINC000779060677 647285003 /nfs/dbraw/zinc/28/50/03/647285003.db2.gz HXZMTXTWBQHKPI-VXGBXAGGSA-N 0 3 257.337 2.254 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000865690685 647424913 /nfs/dbraw/zinc/42/49/13/647424913.db2.gz LNJFEAYISYEESK-MISXGVKJSA-N 0 3 265.353 2.446 20 10 CECDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1c([O-])cccc1OC ZINC000865871333 647513484 /nfs/dbraw/zinc/51/34/84/647513484.db2.gz BPVSKBJSCQSOGO-QWRGUYRKSA-N 0 3 253.342 2.040 20 10 CECDHN CCOC(=O)C1(C)CC([NH2+]Cc2ccccc2[O-])C1 ZINC000866252931 647697468 /nfs/dbraw/zinc/69/74/68/647697468.db2.gz BAAXITVBECNCGP-UHFFFAOYSA-N 0 3 263.337 2.214 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCCC[C@H]([NH3+])C2)c1[O-] ZINC000866670948 647863515 /nfs/dbraw/zinc/86/35/15/647863515.db2.gz YTHLMCDUJWIHIK-AWEZNQCLSA-N 0 3 294.370 2.437 20 10 CECDHN COc1ccc(CNCc2ccc(C)n(C)c2=O)cc1C ZINC000785522770 647934428 /nfs/dbraw/zinc/93/44/28/647934428.db2.gz PSBQRARPQZQTIU-UHFFFAOYSA-N 0 3 286.375 2.301 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000788530198 648199146 /nfs/dbraw/zinc/19/91/46/648199146.db2.gz WLEMXBFTYHLYCA-UHFFFAOYSA-N 0 3 291.391 2.433 20 10 CECDHN C[C@@H]1CCSCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000790477323 648420848 /nfs/dbraw/zinc/42/08/48/648420848.db2.gz JILOWLYIWHWMBC-YGRLFVJLSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1CCSCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000790477323 648420851 /nfs/dbraw/zinc/42/08/51/648420851.db2.gz JILOWLYIWHWMBC-YGRLFVJLSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000792724738 648669477 /nfs/dbraw/zinc/66/94/77/648669477.db2.gz DCTGVPFECBYCFP-YGRLFVJLSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000792724738 648669481 /nfs/dbraw/zinc/66/94/81/648669481.db2.gz DCTGVPFECBYCFP-YGRLFVJLSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1ccccc1[O-] ZINC000879649663 651335252 /nfs/dbraw/zinc/33/52/52/651335252.db2.gz BIDHWXKDJJIONL-MYZSUADSSA-N 0 3 288.391 2.490 20 10 CECDHN COc1ncc(C[NH2+][C@H](C)c2ccccc2[O-])c(C)n1 ZINC000879648808 651335307 /nfs/dbraw/zinc/33/53/07/651335307.db2.gz ALMQFZUAIVDHBC-LLVKDONJSA-N 0 3 273.336 2.350 20 10 CECDHN COC(=O)c1cccc(CN[C@@H](C)c2ccccc2O)n1 ZINC000879650948 651335689 /nfs/dbraw/zinc/33/56/89/651335689.db2.gz ZGLBCHVLLXAHRB-NSHDSACASA-N 0 3 286.331 2.425 20 10 CECDHN COc1ccc(O)c(CN[C@@](C)(CO)c2ccccc2)c1 ZINC000128583453 651490565 /nfs/dbraw/zinc/49/05/65/651490565.db2.gz RMILOLXSBZAKJY-KRWDZBQOSA-N 0 3 287.359 2.398 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)c([O-])c1 ZINC000883263520 652417940 /nfs/dbraw/zinc/41/79/40/652417940.db2.gz YACHQINXZMBAJB-YEORSEQZSA-N 0 3 265.353 2.306 20 10 CECDHN COc1ccc(CN[C@@H]2CC(=O)N(CC3CC3)C2)cc1C ZINC000883403731 652457978 /nfs/dbraw/zinc/45/79/78/652457978.db2.gz BRQXISZAVMNVQO-OAHLLOKOSA-N 0 3 288.391 2.104 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000134987692 652900611 /nfs/dbraw/zinc/90/06/11/652900611.db2.gz QBHJSJFCKLSYBI-CQSZACIVSA-N 0 3 279.286 2.494 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(OC)CCOC1)c1ccccc1[O-] ZINC000160141125 802314562 /nfs/dbraw/zinc/31/45/62/802314562.db2.gz GFXSMNUTQTYWTF-ZFWWWQNUSA-N 0 3 265.353 2.238 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694591868 803571765 /nfs/dbraw/zinc/57/17/65/803571765.db2.gz WUQZTIWNNVJSTO-TZMCWYRMSA-N 0 3 297.420 2.400 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@H]3CCCO[C@H]3C2)c1 ZINC001141156077 803758585 /nfs/dbraw/zinc/75/85/85/803758585.db2.gz DTYRSXAKUVHVPP-ABAIWWIYSA-N 0 3 263.337 2.099 20 10 CECDHN CC(C)O[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000722356431 804352914 /nfs/dbraw/zinc/35/29/14/804352914.db2.gz PMADWBHXEQLVFB-HNNXBMFYSA-N 0 3 283.343 2.205 20 10 CECDHN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1cc(F)ccc1[O-] ZINC000716660810 815139410 /nfs/dbraw/zinc/13/94/10/815139410.db2.gz LDDQBCWBLSIYKZ-HQJQHLMTSA-N 0 3 263.259 2.198 20 10 CECDHN C[C@H]([NH2+]CCC1CC(O)C1)c1cc(F)ccc1[O-] ZINC000702450875 809558428 /nfs/dbraw/zinc/55/84/28/809558428.db2.gz MXEITNDFDSWTRP-BMQDGWLCSA-N 0 3 253.317 2.343 20 10 CECDHN C[N@@H+]1CC[C@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424625 809929768 /nfs/dbraw/zinc/92/97/68/809929768.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN C[N@H+]1CC[C@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424625 809929769 /nfs/dbraw/zinc/92/97/69/809929769.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@]2(CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424625 809929773 /nfs/dbraw/zinc/92/97/73/809929773.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@]2(CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424625 809929774 /nfs/dbraw/zinc/92/97/74/809929774.db2.gz YYEZGNPIRVJNRS-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CCC2)C1=O)c1ccccc1[O-] ZINC000708660845 809933009 /nfs/dbraw/zinc/93/30/09/809933009.db2.gz WVJKGPZXCIKFAX-BXUZGUMPSA-N 0 3 274.364 2.196 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691424642 811647088 /nfs/dbraw/zinc/64/70/88/811647088.db2.gz WANOPAFDKRYCHQ-TZMCWYRMSA-N 0 3 251.301 2.188 20 10 CECDHN CCOc1cccc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000392439876 813304271 /nfs/dbraw/zinc/30/42/71/813304271.db2.gz AKKAWGVMYQQWJL-VIFPVBQESA-N 0 3 276.340 2.068 20 10 CECDHN Cc1cnc2c(c1)CN(Cc1c(O)cc(O)cc1O)CC2 ZINC001144516202 814099844 /nfs/dbraw/zinc/09/98/44/814099844.db2.gz SXEOBZCSSSGNEN-UHFFFAOYSA-N 0 3 286.331 2.065 20 10 CECDHN CCC[N@H+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137840400 815694689 /nfs/dbraw/zinc/69/46/89/815694689.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 0 3 278.371 2.305 20 10 CECDHN CCC[N@@H+]1C[C@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137840400 815694692 /nfs/dbraw/zinc/69/46/92/815694692.db2.gz ZJJXQPNARCSLPU-BETUJISGSA-N 0 3 278.371 2.305 20 10 CECDHN CN1C[C@H]2CCC[N@H+](Cc3c([O-])cccc3F)[C@H]2C1 ZINC001137838899 815695452 /nfs/dbraw/zinc/69/54/52/815695452.db2.gz MEERLONKGVDFAF-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CN1C[C@H]2CCC[N@@H+](Cc3c([O-])cccc3F)[C@H]2C1 ZINC001137838899 815695455 /nfs/dbraw/zinc/69/54/55/815695455.db2.gz MEERLONKGVDFAF-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCCc2cc(CN3CC4(C3)CCOC4)ccc21 ZINC001138354328 815772913 /nfs/dbraw/zinc/77/29/13/815772913.db2.gz FLWWADMGAKNVGO-UHFFFAOYSA-N 0 3 272.392 2.291 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055373 816178768 /nfs/dbraw/zinc/17/87/68/816178768.db2.gz TWONACYFFTUZAO-MNOVXSKESA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055373 816178771 /nfs/dbraw/zinc/17/87/71/816178771.db2.gz TWONACYFFTUZAO-MNOVXSKESA-N 0 3 281.327 2.305 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(N2CC(F)C2)CC1 ZINC001140055088 816179100 /nfs/dbraw/zinc/17/91/00/816179100.db2.gz HUWZSCJGGYLXCY-UHFFFAOYSA-N 0 3 282.334 2.149 20 10 CECDHN Cc1ccc(C[NH+]2CCC(C(C)(C)C(N)=O)CC2)c([O-])c1 ZINC001140950815 816423425 /nfs/dbraw/zinc/42/34/25/816423425.db2.gz JPFUMRKCWCMLGW-UHFFFAOYSA-N 0 3 290.407 2.424 20 10 CECDHN CCOC(=O)[C@@H]1CN(Cc2ccc(C)cc2O)CCS1 ZINC001140954748 816424083 /nfs/dbraw/zinc/42/40/83/816424083.db2.gz XTCCMXSOJHJUNP-AWEZNQCLSA-N 0 3 295.404 2.181 20 10 CECDHN Cc1ccc(C[NH+]2CCC(N3CC(F)C3)CC2)c([O-])c1 ZINC001140951006 816424236 /nfs/dbraw/zinc/42/42/36/816424236.db2.gz STQAYZZUUVYAOB-UHFFFAOYSA-N 0 3 278.371 2.319 20 10 CECDHN CCOc1ccc(O)c(CN(C)CCn2cccn2)c1 ZINC000125315979 365671152 /nfs/dbraw/zinc/67/11/52/365671152.db2.gz ASVFVGXNBPGRAM-UHFFFAOYSA-N 0 3 275.352 2.119 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000038013625 361981832 /nfs/dbraw/zinc/98/18/32/361981832.db2.gz YKRZPQFRVKIPIC-VXGBXAGGSA-N 0 3 294.395 2.356 20 10 CECDHN COC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273587001 293101780 /nfs/dbraw/zinc/10/17/80/293101780.db2.gz OAXGDCVGZICDDC-OLZOCXBDSA-N 0 3 267.369 2.057 20 10 CECDHN COCCN(CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000093005578 344211642 /nfs/dbraw/zinc/21/16/42/344211642.db2.gz AIKVHHZBEHMJDN-UHFFFAOYSA-N 0 3 292.423 2.118 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C1CCSCC1)OCO2 ZINC000134413963 366319408 /nfs/dbraw/zinc/31/94/08/366319408.db2.gz WXTHKCBVJBEGQB-UHFFFAOYSA-N 0 3 267.350 2.106 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCN2CC)c1[O-] ZINC000083594691 363781158 /nfs/dbraw/zinc/78/11/58/363781158.db2.gz VDUKZBOFCPNVEY-AWEZNQCLSA-N 0 3 278.396 2.365 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000019963697 361571849 /nfs/dbraw/zinc/57/18/49/361571849.db2.gz CMZGXSDLXSDVGU-JQWIXIFHSA-N 0 3 251.326 2.230 20 10 CECDHN COc1cccc(C[NH2+]CC2(O)CCCCC2)c1[O-] ZINC000112204814 364778493 /nfs/dbraw/zinc/77/84/93/364778493.db2.gz UPIIIUHRGFPHAH-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN CN1CCC(C[N@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000160232788 366985779 /nfs/dbraw/zinc/98/57/79/366985779.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 0 3 266.360 2.305 20 10 CECDHN CN1CCC(C[N@@H+](C)Cc2cccc(F)c2[O-])CC1 ZINC000160232788 366985784 /nfs/dbraw/zinc/98/57/84/366985784.db2.gz PGXPYDSHOYLELC-UHFFFAOYSA-N 0 3 266.360 2.305 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180195649 368371994 /nfs/dbraw/zinc/37/19/94/368371994.db2.gz SBJIIRCDTUOPPZ-GFCCVEGCSA-N 0 3 267.300 2.059 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180195649 368371995 /nfs/dbraw/zinc/37/19/95/368371995.db2.gz SBJIIRCDTUOPPZ-GFCCVEGCSA-N 0 3 267.300 2.059 20 10 CECDHN CC[C@](C)(CCO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000182626630 368572786 /nfs/dbraw/zinc/57/27/86/368572786.db2.gz OJNODSQHACWUPK-OAHLLOKOSA-N 0 3 283.368 2.050 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)C[C@@H]1C ZINC000188112047 369298578 /nfs/dbraw/zinc/29/85/78/369298578.db2.gz BYWHPQACUYIVIU-FZMZJTMJSA-N 0 3 293.363 2.032 20 10 CECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2cccc(C)c2[O-])C1(C)C ZINC000188908053 369427489 /nfs/dbraw/zinc/42/74/89/369427489.db2.gz VREXSYRLETYNSF-RHSMWYFYSA-N 0 3 293.407 2.356 20 10 CECDHN CCCC[N@H+](CCO)Cc1cc(OCC)ccc1[O-] ZINC000159104746 261177968 /nfs/dbraw/zinc/17/79/68/261177968.db2.gz UUHGGEFJCUFEPB-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCC[N@@H+](CCO)Cc1cc(OCC)ccc1[O-] ZINC000159104746 261177970 /nfs/dbraw/zinc/17/79/70/261177970.db2.gz UUHGGEFJCUFEPB-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000226250407 370332306 /nfs/dbraw/zinc/33/23/06/370332306.db2.gz XCHHCNJWWQFMRL-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN CCC1(O)CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271176800 373162986 /nfs/dbraw/zinc/16/29/86/373162986.db2.gz GGJAGOMUVJRBSC-UHFFFAOYSA-N 0 3 262.397 2.490 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000368102826 373219927 /nfs/dbraw/zinc/21/99/27/373219927.db2.gz QAHYOHIDGKPKSX-QWRGUYRKSA-N 0 3 287.363 2.332 20 10 CECDHN CN(C)c1ccc(CN(C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000271252676 373184010 /nfs/dbraw/zinc/18/40/10/373184010.db2.gz ITKJYTFDRWAHDH-XJKSGUPXSA-N 0 3 280.387 2.485 20 10 CECDHN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000271460281 373192629 /nfs/dbraw/zinc/19/26/29/373192629.db2.gz XEHLABOXSYVVPS-CVEARBPZSA-N 0 3 291.391 2.144 20 10 CECDHN Cc1cccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c1[O-] ZINC000271760712 373200612 /nfs/dbraw/zinc/20/06/12/373200612.db2.gz YMGKUWYHXGYVCX-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN CC(=O)NC1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000272243885 373382424 /nfs/dbraw/zinc/38/24/24/373382424.db2.gz AYOWRIDMZPOYKO-UHFFFAOYSA-N 0 3 280.343 2.068 20 10 CECDHN COC(=O)C(C)(C)CNCc1ccc(N(C)C)c(F)c1 ZINC000272371821 373451480 /nfs/dbraw/zinc/45/14/80/373451480.db2.gz BVHUDIDPRCPUBB-UHFFFAOYSA-N 0 3 282.359 2.181 20 10 CECDHN COC[C@@H](C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-])OC ZINC000273392632 373755610 /nfs/dbraw/zinc/75/56/10/373755610.db2.gz DVWMDEMKMATAON-CHWSQXEVSA-N 0 3 267.369 2.321 20 10 CECDHN Cc1n[nH]c(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000273499059 373760273 /nfs/dbraw/zinc/76/02/73/373760273.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1nc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])n[nH]1 ZINC000273499059 373760278 /nfs/dbraw/zinc/76/02/78/373760278.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1nnc(CC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273499059 373760281 /nfs/dbraw/zinc/76/02/81/373760281.db2.gz YKGORZBAHYYAPQ-QMMMGPOBSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c([O-])c1 ZINC000273529600 373762875 /nfs/dbraw/zinc/76/28/75/373762875.db2.gz WANXKJKSXCRVFW-OLZOCXBDSA-N 0 3 276.380 2.361 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273567929 373765357 /nfs/dbraw/zinc/76/53/57/373765357.db2.gz JYPVYINEVGVRGN-LSDHHAIUSA-N 0 3 292.423 2.380 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000273604693 373766941 /nfs/dbraw/zinc/76/69/41/373766941.db2.gz SVOUTIAQPNFXPD-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)C(C)(C)C)c1 ZINC000273591000 373767202 /nfs/dbraw/zinc/76/72/02/373767202.db2.gz PCVXIRXDQLJHAF-LLVKDONJSA-N 0 3 294.395 2.214 20 10 CECDHN COCCCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374324961 374541922 /nfs/dbraw/zinc/54/19/22/374541922.db2.gz NSLVUBYIHPPLLP-UHFFFAOYSA-N 0 3 260.381 2.488 20 10 CECDHN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000374546553 374596079 /nfs/dbraw/zinc/59/60/79/374596079.db2.gz VTJLFMSFOXDZCQ-LBPRGKRZSA-N 0 3 277.755 2.416 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678424 374626828 /nfs/dbraw/zinc/62/68/28/374626828.db2.gz KFDNKOJGIMEFCV-LRDDRELGSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000374678424 374626836 /nfs/dbraw/zinc/62/68/36/374626836.db2.gz KFDNKOJGIMEFCV-LRDDRELGSA-N 0 3 293.338 2.306 20 10 CECDHN COc1ccc(CNCC2(S(C)(=O)=O)CCC2)cc1C ZINC000279841059 375008162 /nfs/dbraw/zinc/00/81/62/375008162.db2.gz QXZMBRNYAWCCQD-UHFFFAOYSA-N 0 3 297.420 2.061 20 10 CECDHN CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000281113785 375355775 /nfs/dbraw/zinc/35/57/75/375355775.db2.gz BNDDLWOFBFTNRH-GFCCVEGCSA-N 0 3 279.336 2.122 20 10 CECDHN CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000285216165 375836414 /nfs/dbraw/zinc/83/64/14/375836414.db2.gz RMQJKMISFOPILS-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000285216165 375836419 /nfs/dbraw/zinc/83/64/19/375836419.db2.gz RMQJKMISFOPILS-AWEZNQCLSA-N 0 3 276.380 2.273 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000285089198 375836536 /nfs/dbraw/zinc/83/65/36/375836536.db2.gz JXEMMPSXEVCGNX-LBPRGKRZSA-N 0 3 278.396 2.432 20 10 CECDHN CN(C)c1ccc(CN[C@H]2COc3ccccc3[C@H]2O)cc1 ZINC000288644682 376380350 /nfs/dbraw/zinc/38/03/50/376380350.db2.gz UQTXRLBTSWFMGR-FUHWJXTLSA-N 0 3 298.386 2.337 20 10 CECDHN CCOC1CC([N@H+](C)Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000288713756 376381259 /nfs/dbraw/zinc/38/12/59/376381259.db2.gz VKWSNXKFQADKLH-UHFFFAOYSA-N 0 3 295.379 2.409 20 10 CECDHN CCOC1CC([N@@H+](C)Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000288713756 376381266 /nfs/dbraw/zinc/38/12/66/376381266.db2.gz VKWSNXKFQADKLH-UHFFFAOYSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)CCn2cccn2)c1[O-] ZINC000289186396 376389202 /nfs/dbraw/zinc/38/92/02/376389202.db2.gz BASLMYWVIYMHRM-LBPRGKRZSA-N 0 3 275.352 2.166 20 10 CECDHN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccccc4[O-])[C@H]1[C@H]3C2 ZINC000289752878 376482892 /nfs/dbraw/zinc/48/28/92/376482892.db2.gz QRQGVONXDJKCSF-YOPIWALVSA-N 0 3 259.349 2.247 20 10 CECDHN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccccc4[O-])[C@H]1[C@H]3C2 ZINC000289752878 376482898 /nfs/dbraw/zinc/48/28/98/376482898.db2.gz QRQGVONXDJKCSF-YOPIWALVSA-N 0 3 259.349 2.247 20 10 CECDHN CCOc1ccc(O)c(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000293737595 377731751 /nfs/dbraw/zinc/73/17/51/377731751.db2.gz VMPDPRQIFXLZRS-BETUJISGSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000295128564 378043745 /nfs/dbraw/zinc/04/37/45/378043745.db2.gz XQUDDPORYWJYCK-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(C)ccc1[O-])C(C)C ZINC000295143053 378045013 /nfs/dbraw/zinc/04/50/13/378045013.db2.gz ZXDHOECMMXLGTN-HNNXBMFYSA-N 0 3 278.396 2.293 20 10 CECDHN O=C1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C2(CCC2)N1 ZINC000296299588 378482917 /nfs/dbraw/zinc/48/29/17/378482917.db2.gz DOJKPZLYZKAWPW-JSGCOSHPSA-N 0 3 286.375 2.170 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](O)C(F)F ZINC000296493883 378552142 /nfs/dbraw/zinc/55/21/42/378552142.db2.gz OTRCHNQAGJIQCN-KWBADKCTSA-N 0 3 271.307 2.374 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCNc1ccccn1)CC2 ZINC000297682907 378688608 /nfs/dbraw/zinc/68/86/08/378688608.db2.gz LPJQWQCMVDWMCI-CYBMUJFWSA-N 0 3 269.348 2.476 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000186540096 262098261 /nfs/dbraw/zinc/09/82/61/262098261.db2.gz PTZOGMSTAVEPIP-RLFDGXBXSA-N 0 3 255.383 2.118 20 10 CECDHN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccccc1[O-] ZINC000186857686 262113246 /nfs/dbraw/zinc/11/32/46/262113246.db2.gz YWCDXBYJGQBXJI-GFCCVEGCSA-N 0 3 285.409 2.258 20 10 CECDHN C[C@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185194559 262302040 /nfs/dbraw/zinc/30/20/40/262302040.db2.gz HKWUJPVJGVOZDQ-JTQLQIEISA-N 0 3 268.332 2.050 20 10 CECDHN COCCOC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000093339604 394664366 /nfs/dbraw/zinc/66/43/66/394664366.db2.gz JAVNUUZGWAVUDY-UHFFFAOYSA-N 0 3 295.379 2.028 20 10 CECDHN COCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761935 394735381 /nfs/dbraw/zinc/73/53/81/394735381.db2.gz DZDJCIBAIWPVCK-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN COCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000109761935 394735383 /nfs/dbraw/zinc/73/53/83/394735383.db2.gz DZDJCIBAIWPVCK-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN CO[C@@H](C)[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269057621 394709887 /nfs/dbraw/zinc/70/98/87/394709887.db2.gz WYMMUZPULDSVRQ-QWRGUYRKSA-N 0 3 254.349 2.405 20 10 CECDHN CCSCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000281852989 394862529 /nfs/dbraw/zinc/86/25/29/394862529.db2.gz BJGIJNQJIMGWLD-UHFFFAOYSA-N 0 3 269.366 2.354 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282127237 394910714 /nfs/dbraw/zinc/91/07/14/394910714.db2.gz BDVRIPFMPWNPSO-RISCZKNCSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC000282127237 394910715 /nfs/dbraw/zinc/91/07/15/394910715.db2.gz BDVRIPFMPWNPSO-RISCZKNCSA-N 0 3 265.353 2.400 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@@H]2CO1)c1ccccc1[O-] ZINC000372933068 395050507 /nfs/dbraw/zinc/05/05/07/395050507.db2.gz YILLLNAQPXPUKV-RRFJBIMHSA-N 0 3 290.407 2.296 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@H]3CCC[C@H]31)OCO2 ZINC000374256688 395077941 /nfs/dbraw/zinc/07/79/41/395077941.db2.gz WYUQPFROSRWUON-OCCSQVGLSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@H]3CCC[C@H]31)OCO2 ZINC000374256688 395077946 /nfs/dbraw/zinc/07/79/46/395077946.db2.gz WYUQPFROSRWUON-OCCSQVGLSA-N 0 3 291.347 2.264 20 10 CECDHN Oc1cc2c(cc1CN1CCCO[C@H]3CCC[C@H]31)OCO2 ZINC000374256688 395077948 /nfs/dbraw/zinc/07/79/48/395077948.db2.gz WYUQPFROSRWUON-OCCSQVGLSA-N 0 3 291.347 2.264 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)c1 ZINC000182436006 395242449 /nfs/dbraw/zinc/24/24/49/395242449.db2.gz ZYDGHQRSWPXDDU-RISCZKNCSA-N 0 3 292.379 2.061 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@]2(O)CCSC2)c1[O-] ZINC000182558205 395243529 /nfs/dbraw/zinc/24/35/29/395243529.db2.gz FPHRIKGDAIMGPM-CYBMUJFWSA-N 0 3 287.812 2.312 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](n3cncn3)C2)cc1 ZINC000179464068 395193923 /nfs/dbraw/zinc/19/39/23/395193923.db2.gz ZKPKSOLIFBMLOS-INIZCTEOSA-N 0 3 285.395 2.181 20 10 CECDHN Cc1noc([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179562724 395195032 /nfs/dbraw/zinc/19/50/32/395195032.db2.gz CKZYPQDZSNANSD-ZDUSSCGKSA-N 0 3 273.336 2.463 20 10 CECDHN Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179562724 395195035 /nfs/dbraw/zinc/19/50/35/395195035.db2.gz CKZYPQDZSNANSD-ZDUSSCGKSA-N 0 3 273.336 2.463 20 10 CECDHN Cc1cccc(CN2CCN(c3ccccn3)CC2)c1O ZINC000183471258 395257991 /nfs/dbraw/zinc/25/79/91/395257991.db2.gz UTVIVUTUOXJKSS-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](c2ccco2)N(C)C)c1[O-] ZINC000020122237 171002466 /nfs/dbraw/zinc/00/24/66/171002466.db2.gz JKYUSFLZHBGFFM-ZDUSSCGKSA-N 0 3 290.363 2.386 20 10 CECDHN C[C@@H](Cn1cccn1)NCc1ccc(N(C)C)cc1 ZINC000035259085 172091915 /nfs/dbraw/zinc/09/19/15/172091915.db2.gz KKVRTXUUDVVEJH-ZDUSSCGKSA-N 0 3 258.369 2.127 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000156376905 261121612 /nfs/dbraw/zinc/12/16/12/261121612.db2.gz NQZLHCSBDXBHEU-TZMCWYRMSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc2c(cc1[O-])CCCC2 ZINC000186220804 262084494 /nfs/dbraw/zinc/08/44/94/262084494.db2.gz DWSSRHOOAYMWRH-NSHDSACASA-N 0 3 290.407 2.433 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000186798226 262110640 /nfs/dbraw/zinc/11/06/40/262110640.db2.gz LDEBEVOUTOHZAM-WDBKCZKBSA-N 0 3 265.353 2.355 20 10 CECDHN COC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])C1CC1 ZINC000186153632 262312436 /nfs/dbraw/zinc/31/24/36/262312436.db2.gz GGCFXJWWWFQYMX-QMTHXVAHSA-N 0 3 265.353 2.476 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@H]2C)cc1OC ZINC000282364312 263076224 /nfs/dbraw/zinc/07/62/24/263076224.db2.gz PVYMTIWKKMZDDS-YPMHNXCESA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)cc1OC ZINC000282364312 263076225 /nfs/dbraw/zinc/07/62/25/263076225.db2.gz PVYMTIWKKMZDDS-YPMHNXCESA-N 0 3 295.379 2.409 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCN1CCCCC1 ZINC000226583296 263196878 /nfs/dbraw/zinc/19/68/78/263196878.db2.gz GWBPRZFLKBWHHK-UHFFFAOYSA-N 0 3 266.360 2.497 20 10 CECDHN CN(C)c1ccc(CN2CC[C@](O)(C3CC3)C2)cc1F ZINC000369676695 267260116 /nfs/dbraw/zinc/26/01/16/267260116.db2.gz RRFLYMWBFQQLFG-MRXNPFEDSA-N 0 3 278.371 2.239 20 10 CECDHN COC(=O)[C@H](C)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000370736264 267343128 /nfs/dbraw/zinc/34/31/28/267343128.db2.gz BZGNFRHPIOJUHC-CYBMUJFWSA-N 0 3 288.391 2.261 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000374917370 267821946 /nfs/dbraw/zinc/82/19/46/267821946.db2.gz YBBQKHLZYMPJLS-CQSZACIVSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+][C@H]1CCc2cn[nH]c2C1 ZINC000376856312 268024343 /nfs/dbraw/zinc/02/43/43/268024343.db2.gz NWAYWALZNCRGGT-NSHDSACASA-N 0 3 277.755 2.416 20 10 CECDHN NC(=O)C[C@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000377193060 268054844 /nfs/dbraw/zinc/05/48/44/268054844.db2.gz OLQPKPJLHHQPBI-GFCCVEGCSA-N 0 3 284.359 2.243 20 10 CECDHN NC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000377193060 268054847 /nfs/dbraw/zinc/05/48/47/268054847.db2.gz OLQPKPJLHHQPBI-GFCCVEGCSA-N 0 3 284.359 2.243 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H](OC)CC2)c1[O-] ZINC000377243200 268059159 /nfs/dbraw/zinc/05/91/59/268059159.db2.gz ISCLNEFHDCXKMV-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H](OC)CC2)c1[O-] ZINC000377243200 268059157 /nfs/dbraw/zinc/05/91/57/268059157.db2.gz ISCLNEFHDCXKMV-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H](O)C(F)F ZINC000296551405 276640550 /nfs/dbraw/zinc/64/05/50/276640550.db2.gz RNSDKRSQFNXRKB-UBHAPETDSA-N 0 3 259.296 2.447 20 10 CECDHN CC(C)N1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000272910661 328201512 /nfs/dbraw/zinc/20/15/12/328201512.db2.gz WNMXMAYFZNAJBN-VXGBXAGGSA-N 0 3 262.353 2.052 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000169087512 329063668 /nfs/dbraw/zinc/06/36/68/329063668.db2.gz RWMWYSBMHKHQRO-NSHDSACASA-N 0 3 273.760 2.161 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-] ZINC000190335054 329394992 /nfs/dbraw/zinc/39/49/92/329394992.db2.gz KXVLDTDJDGXJJF-BZPMIXESSA-N 0 3 263.337 2.058 20 10 CECDHN COCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000081708028 330352083 /nfs/dbraw/zinc/35/20/83/330352083.db2.gz NBIWOEVZHJPEJJ-MNOVXSKESA-N 0 3 253.342 2.476 20 10 CECDHN COC[C@H](CN[C@H](C)c1ccc(N(C)C)cc1)OC ZINC000227712563 333287437 /nfs/dbraw/zinc/28/74/37/333287437.db2.gz DHZMEYPZPCAQKT-DOMZBBRYSA-N 0 3 266.385 2.065 20 10 CECDHN CCOc1cccc(C[NH2+][C@@](C)(CC)CCO)c1[O-] ZINC000230222868 333315807 /nfs/dbraw/zinc/31/58/07/333315807.db2.gz QSEGVBAZWRONSR-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)cc1OC ZINC000529670090 333505128 /nfs/dbraw/zinc/50/51/28/333505128.db2.gz QZIPGNKCCZAXDU-BBKSZCTCSA-N 0 3 295.379 2.311 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)C2CCOCC2)c1[O-] ZINC000134496338 334092046 /nfs/dbraw/zinc/09/20/46/334092046.db2.gz MWYJZXGRQQUYNO-LLVKDONJSA-N 0 3 265.353 2.306 20 10 CECDHN CCN(CCC(=O)OC)Cc1ccc(N(C)C)c(F)c1 ZINC000130492941 520993089 /nfs/dbraw/zinc/99/30/89/520993089.db2.gz DPMJDAOPNOXDBT-UHFFFAOYSA-N 0 3 282.359 2.277 20 10 CECDHN CC(C)CO[C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000120950794 519760245 /nfs/dbraw/zinc/76/02/45/519760245.db2.gz JFAFZSVWSKRSEA-CYBMUJFWSA-N 0 3 293.363 2.368 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(C3CC3)CC2)c1 ZINC000127944689 521144948 /nfs/dbraw/zinc/14/49/48/521144948.db2.gz HEHJNDRCGQQEOY-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccccc1[O-] ZINC000274931807 522757773 /nfs/dbraw/zinc/75/77/73/522757773.db2.gz RAHCNESVELSBJS-ZFWWWQNUSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@@H]([NH2+]CCC(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000280089960 522823657 /nfs/dbraw/zinc/82/36/57/522823657.db2.gz MIKTZQKBDTVYRH-CYBMUJFWSA-N 0 3 264.369 2.220 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000280239243 522864969 /nfs/dbraw/zinc/86/49/69/522864969.db2.gz VWYHDBWPDXSFIW-ZBFHGGJFSA-N 0 3 289.379 2.208 20 10 CECDHN CC[C@H](C(=O)N(CC)Cc1ccc(N(C)C)cc1)N(C)C ZINC000271093305 523754669 /nfs/dbraw/zinc/75/46/69/523754669.db2.gz VAFIVISGSUQGBH-MRXNPFEDSA-N 0 3 291.439 2.441 20 10 CECDHN CN1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000293518946 523858988 /nfs/dbraw/zinc/85/89/88/523858988.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 0 3 278.371 2.449 20 10 CECDHN CN1CCC[C@]2(CC[N@@H+](Cc3cc(F)ccc3[O-])C2)C1 ZINC000293518946 523858996 /nfs/dbraw/zinc/85/89/96/523858996.db2.gz AXINUHWDWIRQOJ-INIZCTEOSA-N 0 3 278.371 2.449 20 10 CECDHN COC(=O)[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292727202 523950532 /nfs/dbraw/zinc/95/05/32/523950532.db2.gz GHBBNBMZZMLALG-HNNXBMFYSA-N 0 3 290.407 2.446 20 10 CECDHN COc1ccc(CNCc2cc(C)ccc2O)c(OC)n1 ZINC000289689158 524072327 /nfs/dbraw/zinc/07/23/27/524072327.db2.gz SLKLTDOTVQHPLC-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN COc1ccc(CN[C@H](C)CC[S@@](C)=O)cc1C ZINC000125440989 524087889 /nfs/dbraw/zinc/08/78/89/524087889.db2.gz KJKXJVQYPUQIOI-XIKOKIGWSA-N 0 3 269.410 2.250 20 10 CECDHN C[C@H]1CCN(CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000263678955 524279670 /nfs/dbraw/zinc/27/96/70/524279670.db2.gz HUVSDNYHEUCGRZ-AWEZNQCLSA-N 0 3 289.423 2.053 20 10 CECDHN C[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)[C@H]1C ZINC000248333278 524284823 /nfs/dbraw/zinc/28/48/23/524284823.db2.gz FRBRFIUXISJAAR-KBPBESRZSA-N 0 3 289.423 2.099 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721663 524770101 /nfs/dbraw/zinc/77/01/01/524770101.db2.gz SZSJVBQYBMCELT-JTQLQIEISA-N 0 3 251.326 2.088 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290036110 524775440 /nfs/dbraw/zinc/77/54/40/524775440.db2.gz DEIUVXCYWVSRCT-OUAUKWLOSA-N 0 3 253.342 2.475 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCc2nccnc2C)cc1C ZINC000293141014 525324092 /nfs/dbraw/zinc/32/40/92/525324092.db2.gz UGDJQTIJTJBLFR-UHFFFAOYSA-N 0 3 271.364 2.440 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290364731 525338490 /nfs/dbraw/zinc/33/84/90/525338490.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290364731 525338494 /nfs/dbraw/zinc/33/84/94/525338494.db2.gz HBPSFSKQBPYTCX-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1 ZINC000280574171 525345502 /nfs/dbraw/zinc/34/55/02/525345502.db2.gz WCOFVRXRIBNDPG-GRDNDAEWSA-N 0 3 291.391 2.469 20 10 CECDHN C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471518 525821770 /nfs/dbraw/zinc/82/17/70/525821770.db2.gz NBTIDOCMEVDNAZ-YPMHNXCESA-N 0 3 293.363 2.246 20 10 CECDHN C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000280471518 525821774 /nfs/dbraw/zinc/82/17/74/525821774.db2.gz NBTIDOCMEVDNAZ-YPMHNXCESA-N 0 3 293.363 2.246 20 10 CECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000289494194 526156440 /nfs/dbraw/zinc/15/64/40/526156440.db2.gz SBKLEVQOEOVIBR-SECBINFHSA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000289494194 526156448 /nfs/dbraw/zinc/15/64/48/526156448.db2.gz SBKLEVQOEOVIBR-SECBINFHSA-N 0 3 288.185 2.276 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000277475168 526373712 /nfs/dbraw/zinc/37/37/12/526373712.db2.gz KWXZLNHZESGJGL-OAHLLOKOSA-N 0 3 260.381 2.499 20 10 CECDHN CN(C)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738143184 574487543 /nfs/dbraw/zinc/48/75/43/574487543.db2.gz JTOXUVUUOGHSDB-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN CN(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738143184 574487544 /nfs/dbraw/zinc/48/75/44/574487544.db2.gz JTOXUVUUOGHSDB-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN CCN(C)c1ccc(CN(CC(N)=O)CC(C)C)cc1 ZINC000741753268 574996501 /nfs/dbraw/zinc/99/65/01/574996501.db2.gz RAXJNJBZXSMJPY-UHFFFAOYSA-N 0 3 277.412 2.086 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCSC1 ZINC000749111212 575205616 /nfs/dbraw/zinc/20/56/16/575205616.db2.gz YKVAQWLTWQAPEV-JTQLQIEISA-N 0 3 253.367 2.386 20 10 CECDHN COc1ccc(CN2CCCO[C@H](C)C2)c(O)c1OC ZINC000891918714 624097619 /nfs/dbraw/zinc/09/76/19/624097619.db2.gz YLJWAKIATDMPMZ-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1OC ZINC000892217600 624427214 /nfs/dbraw/zinc/42/72/14/624427214.db2.gz ZEHPWSPRJDTERJ-DGCLKSJQSA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1OC ZINC000892217600 624427217 /nfs/dbraw/zinc/42/72/17/624427217.db2.gz ZEHPWSPRJDTERJ-DGCLKSJQSA-N 0 3 295.379 2.002 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000311741985 627695477 /nfs/dbraw/zinc/69/54/77/627695477.db2.gz BKIAIBGGXITVES-JQWIXIFHSA-N 0 3 271.332 2.233 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000840964410 628925231 /nfs/dbraw/zinc/92/52/31/628925231.db2.gz RYHODUVXCVJQNV-WOPDTQHZSA-N 0 3 265.353 2.304 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000840976924 628984921 /nfs/dbraw/zinc/98/49/21/628984921.db2.gz ZGBDEMFHRTUSBW-HNNXBMFYSA-N 0 3 263.337 2.167 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840976924 628984922 /nfs/dbraw/zinc/98/49/22/628984922.db2.gz ZGBDEMFHRTUSBW-HNNXBMFYSA-N 0 3 263.337 2.167 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840980356 628988894 /nfs/dbraw/zinc/98/88/94/628988894.db2.gz XHJROWMCZUYIHR-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840980356 628988896 /nfs/dbraw/zinc/98/88/96/628988896.db2.gz XHJROWMCZUYIHR-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cc(C)cc(CNC[C@H](OC)C(F)(F)F)c1O ZINC000894251822 629259968 /nfs/dbraw/zinc/25/99/68/629259968.db2.gz QFKLCBJNILMZKY-NSHDSACASA-N 0 3 293.285 2.376 20 10 CECDHN CC1(C)CNCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841073426 634731413 /nfs/dbraw/zinc/73/14/13/634731413.db2.gz TXFMYUQBZYBTEG-GFCCVEGCSA-N 0 3 252.333 2.009 20 10 CECDHN CCc1nc([C@@H](C)NCc2cc(C)cc(OC)c2O)n[nH]1 ZINC000894370708 629401207 /nfs/dbraw/zinc/40/12/07/629401207.db2.gz OEZXHOBJXTXDBS-SNVBAGLBSA-N 0 3 290.367 2.241 20 10 CECDHN COc1ccc(N2CC[C@H](Nc3nc(C)cc(N)n3)C2)cc1 ZINC000894484111 629487496 /nfs/dbraw/zinc/48/74/96/629487496.db2.gz CFBTYIRMFHTDPJ-LBPRGKRZSA-N 0 3 299.378 2.067 20 10 CECDHN COC(=O)[C@H](C[NH2+]Cc1c([O-])cccc1OC)CC(C)C ZINC000894791165 629637123 /nfs/dbraw/zinc/63/71/23/629637123.db2.gz POYPETAYOFZLDI-LBPRGKRZSA-N 0 3 295.379 2.326 20 10 CECDHN COC(=O)[C@@H]1[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1(F)F ZINC000895460067 630202343 /nfs/dbraw/zinc/20/23/43/630202343.db2.gz ITSWAJXVJGFKED-QRTLGDNMSA-N 0 3 285.290 2.097 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000895586028 630261491 /nfs/dbraw/zinc/26/14/91/630261491.db2.gz PPJHZHJGVHJFDZ-AWEZNQCLSA-N 0 3 275.348 2.234 20 10 CECDHN [O-]c1cccc(F)c1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000896636489 630620361 /nfs/dbraw/zinc/62/03/61/630620361.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1cccc(F)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000896636489 630620364 /nfs/dbraw/zinc/62/03/64/630620364.db2.gz DIWKUYKHRASDIA-NWDGAFQWSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000896921521 630810438 /nfs/dbraw/zinc/81/04/38/630810438.db2.gz ROVZLPPOXIEHMH-CQSZACIVSA-N 0 3 295.354 2.349 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c([O-])c1 ZINC000897010210 630881023 /nfs/dbraw/zinc/88/10/23/630881023.db2.gz IHLWOUQEABGVAK-UHFFFAOYSA-N 0 3 290.363 2.165 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000799307627 631006894 /nfs/dbraw/zinc/00/68/94/631006894.db2.gz NFIAZPKVVFZMQT-OAHLLOKOSA-N 0 3 276.311 2.092 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)c1ccc(F)cn1 ZINC000799307627 631006898 /nfs/dbraw/zinc/00/68/98/631006898.db2.gz NFIAZPKVVFZMQT-OAHLLOKOSA-N 0 3 276.311 2.092 20 10 CECDHN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc([O-])cs1 ZINC000807694564 631862957 /nfs/dbraw/zinc/86/29/57/631862957.db2.gz MUTWFBFRGYSXIJ-MNOVXSKESA-N 0 3 280.393 2.153 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000808687085 632001111 /nfs/dbraw/zinc/00/11/11/632001111.db2.gz JTGNQRMZQVECHG-JTQLQIEISA-N 0 3 284.787 2.483 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1[O-] ZINC000808703597 632003328 /nfs/dbraw/zinc/00/33/28/632003328.db2.gz PCDWQEKDINWNNQ-IUCAKERBSA-N 0 3 270.760 2.269 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898066110 632040677 /nfs/dbraw/zinc/04/06/77/632040677.db2.gz VHYRSLCSJQHHGS-DZGCQCFKSA-N 0 3 259.349 2.441 20 10 CECDHN Cc1cc(CN(CC(N)=O)C2CCCC2)ccc1N(C)C ZINC000815037127 632951180 /nfs/dbraw/zinc/95/11/80/632951180.db2.gz FNOYPXWFMDPITP-UHFFFAOYSA-N 0 3 289.423 2.291 20 10 CECDHN CC[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1[O-] ZINC000817410870 633650926 /nfs/dbraw/zinc/65/09/26/633650926.db2.gz IXXRLGHPKRAYJZ-LBPRGKRZSA-N 0 3 262.353 2.089 20 10 CECDHN C[C@@H]1CC[C@@H](O)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000817415272 633652804 /nfs/dbraw/zinc/65/28/04/633652804.db2.gz WAGVIQPOOVUNDC-DGCLKSJQSA-N 0 3 266.360 2.237 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H](O)CC[C@H]2C)c1O ZINC000817414379 633653448 /nfs/dbraw/zinc/65/34/48/633653448.db2.gz IULUHMNHFIZVLI-SKDRFNHKSA-N 0 3 285.771 2.399 20 10 CECDHN COCCNCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817965504 633805868 /nfs/dbraw/zinc/80/58/68/633805868.db2.gz WEFILLARHKKTLX-CYBMUJFWSA-N 0 3 288.391 2.432 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN2C)c2c1c(F)ccc2[O-] ZINC000903317400 635063834 /nfs/dbraw/zinc/06/38/34/635063834.db2.gz KGGHHEVWHDIFNG-CKYFFXLPSA-N 0 3 264.344 2.373 20 10 CECDHN COc1cccc(O)c1CNCc1cnccc1C ZINC000824910397 635522628 /nfs/dbraw/zinc/52/26/28/635522628.db2.gz VPTGAVKFFSZPQU-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000825280056 635605366 /nfs/dbraw/zinc/60/53/66/635605366.db2.gz WVIRJONVFNIIQE-JOYOIKCWSA-N 0 3 282.771 2.098 20 10 CECDHN CC1(C)CCCN1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000825326562 635616997 /nfs/dbraw/zinc/61/69/97/635616997.db2.gz NLHNOMVGAWBDNV-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CN1CC(C[N@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC000827125436 636225306 /nfs/dbraw/zinc/22/53/06/636225306.db2.gz KPWNYGRRLRAPTB-UHFFFAOYSA-N 0 3 254.761 2.039 20 10 CECDHN CN1CC(C[N@@H+](C)Cc2c([O-])cccc2Cl)C1 ZINC000827125436 636225312 /nfs/dbraw/zinc/22/53/12/636225312.db2.gz KPWNYGRRLRAPTB-UHFFFAOYSA-N 0 3 254.761 2.039 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H](C)C1O ZINC000827152370 636239162 /nfs/dbraw/zinc/23/91/62/636239162.db2.gz SRARPGWYUVENPS-VXGBXAGGSA-N 0 3 280.387 2.340 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([O-])c1 ZINC000827594771 636361907 /nfs/dbraw/zinc/36/19/07/636361907.db2.gz JMAAWGQMYZFOMD-ZIAGYGMSSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c([O-])c1 ZINC000827594771 636361912 /nfs/dbraw/zinc/36/19/12/636361912.db2.gz JMAAWGQMYZFOMD-ZIAGYGMSSA-N 0 3 277.364 2.259 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000829516013 636873196 /nfs/dbraw/zinc/87/31/96/636873196.db2.gz MPTBWFTYDCTXCA-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC000829516013 636873198 /nfs/dbraw/zinc/87/31/98/636873198.db2.gz MPTBWFTYDCTXCA-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCOC[C@H]1CCOC1)CC2 ZINC000834598992 637886176 /nfs/dbraw/zinc/88/61/76/637886176.db2.gz URDUCYUQKGKFAV-HIFRSBDPSA-N 0 3 291.391 2.412 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834667883 637912805 /nfs/dbraw/zinc/91/28/05/637912805.db2.gz CPLIKRGHCCOIDC-YPMHNXCESA-N 0 3 265.353 2.021 20 10 CECDHN NC(=O)Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)cc1 ZINC000834803064 637955949 /nfs/dbraw/zinc/95/59/49/637955949.db2.gz JKNNHKRELKSTIH-HNNXBMFYSA-N 0 3 296.370 2.197 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2CCCO)c([O-])c1 ZINC000834850404 637970403 /nfs/dbraw/zinc/97/04/03/637970403.db2.gz LXWZMWNTEXMLOG-HUUCEWRRSA-N 0 3 292.423 2.198 20 10 CECDHN O=C1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H]2CCCCN12 ZINC000834911856 637986085 /nfs/dbraw/zinc/98/60/85/637986085.db2.gz BGJONJJSLUWRLF-BFHYXJOUSA-N 0 3 286.375 2.123 20 10 CECDHN CC[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)C(=O)NC ZINC000834912408 637986367 /nfs/dbraw/zinc/98/63/67/637986367.db2.gz LXKUVTIJLJMFHF-DVVUODLYSA-N 0 3 280.343 2.194 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(C)cn1 ZINC000835065915 638046359 /nfs/dbraw/zinc/04/63/59/638046359.db2.gz RNHPSMNNUMTGQF-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876782185 650429343 /nfs/dbraw/zinc/42/93/43/650429343.db2.gz NBYMTYQQEFERIC-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876782185 650429344 /nfs/dbraw/zinc/42/93/44/650429344.db2.gz NBYMTYQQEFERIC-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000876814442 650443794 /nfs/dbraw/zinc/44/37/94/650443794.db2.gz MEZCZVLFKBEHCU-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000876814442 650443795 /nfs/dbraw/zinc/44/37/95/650443795.db2.gz MEZCZVLFKBEHCU-CQSZACIVSA-N 0 3 286.379 2.204 20 10 CECDHN COc1ccc(N2CCN(CC3CC3)CC2)cc1F ZINC000156686823 639373792 /nfs/dbraw/zinc/37/37/92/639373792.db2.gz ZKSDOFRNAVFSJL-UHFFFAOYSA-N 0 3 264.344 2.366 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c([O-])c1 ZINC000876942118 650498280 /nfs/dbraw/zinc/49/82/80/650498280.db2.gz PWQDMGCXOMPYLE-OAHLLOKOSA-N 0 3 298.390 2.249 20 10 CECDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])N1CCCCC1 ZINC000226585838 639554947 /nfs/dbraw/zinc/55/49/47/639554947.db2.gz KZOPMUKJVVVDFP-GFCCVEGCSA-N 0 3 266.360 2.495 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000226612781 639555807 /nfs/dbraw/zinc/55/58/07/639555807.db2.gz WRGSLHMGTXPBLZ-ZWNOBZJWSA-N 0 3 252.333 2.104 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([O-])c1 ZINC000840977467 639606930 /nfs/dbraw/zinc/60/69/30/639606930.db2.gz IHIGSUCJVVZIRP-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c([O-])c1 ZINC000840977467 639606932 /nfs/dbraw/zinc/60/69/32/639606932.db2.gz IHIGSUCJVVZIRP-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCCN1 ZINC000841032918 639625304 /nfs/dbraw/zinc/62/53/04/639625304.db2.gz KAKAVERJOCRUOY-LLVKDONJSA-N 0 3 272.751 2.416 20 10 CECDHN [NH3+]CC[C@@H](NCc1c([O-])cccc1Cl)C(F)F ZINC000841074161 639644984 /nfs/dbraw/zinc/64/49/84/639644984.db2.gz MQIPKVYYMUMPKN-SECBINFHSA-N 0 3 264.703 2.118 20 10 CECDHN [O-]c1ccc(Cl)cc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841074997 639645550 /nfs/dbraw/zinc/64/55/50/639645550.db2.gz KHDVJNCGCYFIRB-NSHDSACASA-N 0 3 276.714 2.132 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000228660241 639650602 /nfs/dbraw/zinc/65/06/02/639650602.db2.gz PEDBFOPQOTXOQR-LLVKDONJSA-N 0 3 271.744 2.275 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000228660241 639650603 /nfs/dbraw/zinc/65/06/03/639650603.db2.gz PEDBFOPQOTXOQR-LLVKDONJSA-N 0 3 271.744 2.275 20 10 CECDHN COc1cc(Cl)cc(CN(C)[C@@H]2CCOC2)c1O ZINC000228660241 639650606 /nfs/dbraw/zinc/65/06/06/639650606.db2.gz PEDBFOPQOTXOQR-LLVKDONJSA-N 0 3 271.744 2.275 20 10 CECDHN [NH3+][C@H]1Cc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC000841107067 639683792 /nfs/dbraw/zinc/68/37/92/639683792.db2.gz USLXXAPJMMVVBX-ZDUSSCGKSA-N 0 3 272.323 2.421 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)c1ccccc1[O-] ZINC000230206250 639746506 /nfs/dbraw/zinc/74/65/06/639746506.db2.gz QZZFOKUVORUCME-MNOVXSKESA-N 0 3 251.326 2.194 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)CC2 ZINC000841762524 639860582 /nfs/dbraw/zinc/86/05/82/639860582.db2.gz PUPZDXMEUHUKPP-NWDGAFQWSA-N 0 3 282.334 2.309 20 10 CECDHN COc1ncc(CNCc2cc(OC)ccc2O)s1 ZINC000877035358 650541354 /nfs/dbraw/zinc/54/13/54/650541354.db2.gz FSXHUKVYYZGBGG-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2OC)cc1F ZINC000842751934 640169627 /nfs/dbraw/zinc/16/96/27/640169627.db2.gz DAYZJDDBFWNTCT-GDBMZVCRSA-N 0 3 296.386 2.175 20 10 CECDHN C[C@@]1(C[NH3+])CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843114533 640285531 /nfs/dbraw/zinc/28/55/31/640285531.db2.gz CYUXWNXMMZJRRX-ZDUSSCGKSA-N 0 3 299.212 2.325 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@@H]2C)c([O-])c1 ZINC000877095210 650570017 /nfs/dbraw/zinc/57/00/17/650570017.db2.gz PPRXNXLFSDBKMB-WFASDCNBSA-N 0 3 260.381 2.273 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN(C)CCC[NH3+])c1[O-] ZINC000843351490 640399767 /nfs/dbraw/zinc/39/97/67/640399767.db2.gz XRZPQEJERFHAKB-UHFFFAOYSA-N 0 3 270.760 2.029 20 10 CECDHN COc1ccc(N2CCC(NCc3ccno3)CC2)cc1 ZINC000843403297 640417500 /nfs/dbraw/zinc/41/75/00/640417500.db2.gz WITQGRABBKAGOE-UHFFFAOYSA-N 0 3 287.363 2.442 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000846096363 641179151 /nfs/dbraw/zinc/17/91/51/641179151.db2.gz GWODYRQELKZHGG-TZMCWYRMSA-N 0 3 276.380 2.301 20 10 CECDHN CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C ZINC000846474771 641311527 /nfs/dbraw/zinc/31/15/27/641311527.db2.gz BGJKVRBVJKKSIP-CYBMUJFWSA-N 0 3 284.787 2.248 20 10 CECDHN Oc1ccc(F)cc1CN1CCN(CC2CC2)CC1 ZINC000179940509 641395393 /nfs/dbraw/zinc/39/53/93/641395393.db2.gz AZSWWROYEJRTKR-UHFFFAOYSA-N 0 3 264.344 2.059 20 10 CECDHN CCCN(CC(=O)N(C)CC1CC1)Cc1ccccc1O ZINC000068973607 641485725 /nfs/dbraw/zinc/48/57/25/641485725.db2.gz PNOLDDYULWOMFD-UHFFFAOYSA-N 0 3 290.407 2.473 20 10 CECDHN C[C@H]([NH2+]CCC1(C)OCCO1)c1ccccc1[O-] ZINC000183906520 641812731 /nfs/dbraw/zinc/81/27/31/641812731.db2.gz JXMPCFPYVLRORM-NSHDSACASA-N 0 3 251.326 2.196 20 10 CECDHN Cc1ccc(C[NH2+]CCCCCS(C)(=O)=O)c([O-])c1 ZINC000877424544 650715020 /nfs/dbraw/zinc/71/50/20/650715020.db2.gz XVDVYJGYEWMMTH-UHFFFAOYSA-N 0 3 285.409 2.005 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000848558277 642052565 /nfs/dbraw/zinc/05/25/65/642052565.db2.gz LCMZCQMGUZXLQE-ISOBSLSZSA-N 0 3 283.343 2.067 20 10 CECDHN CCOCCN1CCN(Cc2cccc(CC)c2O)CC1 ZINC000848880085 642168377 /nfs/dbraw/zinc/16/83/77/642168377.db2.gz CRNUHGGAZGJQGB-UHFFFAOYSA-N 0 3 292.423 2.109 20 10 CECDHN CCc1cccc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000848908382 642183935 /nfs/dbraw/zinc/18/39/35/642183935.db2.gz SHBWRCFMGLZWBO-GUYCJALGSA-N 0 3 291.391 2.334 20 10 CECDHN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000848919271 642192006 /nfs/dbraw/zinc/19/20/06/642192006.db2.gz VAHVEBGFRSBACJ-OAHLLOKOSA-N 0 3 288.391 2.129 20 10 CECDHN COc1ccc(C[NH2+]CCC[C@H]2CCO2)c([O-])c1 ZINC000877493050 650749683 /nfs/dbraw/zinc/74/96/83/650749683.db2.gz CHGKPWCLSXUQDC-LBPRGKRZSA-N 0 3 251.326 2.060 20 10 CECDHN C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000850355439 642679848 /nfs/dbraw/zinc/67/98/48/642679848.db2.gz IRNGHHUXORTRME-JCGVRSQUSA-N 0 3 267.394 2.172 20 10 CECDHN Oc1cc2c(cc1CN[C@H]1C[C@@H](O)c3ccccc31)OCO2 ZINC000850372242 642685693 /nfs/dbraw/zinc/68/56/93/642685693.db2.gz RSFGNPBVXAQITJ-DZGCQCFKSA-N 0 3 299.326 2.389 20 10 CECDHN CC(C)(F)CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877663502 650839942 /nfs/dbraw/zinc/83/99/42/650839942.db2.gz SJBUYXBDBOMGEV-UHFFFAOYSA-N 0 3 280.387 2.485 20 10 CECDHN COC(=O)N(C)CCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000852568456 643476594 /nfs/dbraw/zinc/47/65/94/643476594.db2.gz FWSUEOZDGLIBNW-UHFFFAOYSA-N 0 3 293.411 2.191 20 10 CECDHN O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([O-])cs1 ZINC000774864526 643810927 /nfs/dbraw/zinc/81/09/27/643810927.db2.gz QWCBZVQZINSTCP-UHFFFAOYSA-N 0 3 280.393 2.058 20 10 CECDHN COc1cccc(O)c1CN1CC2(C1)CCCOC2 ZINC000839137607 644170845 /nfs/dbraw/zinc/17/08/45/644170845.db2.gz GJPDBWKCJFCMHM-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CN1CCN(c2ccc(CN3CC(C(F)F)C3)cc2)CC1 ZINC000839141035 644172061 /nfs/dbraw/zinc/17/20/61/644172061.db2.gz LOXZPRFUEZFKKV-UHFFFAOYSA-N 0 3 295.377 2.135 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)c1ccccc1[O-] ZINC000877755645 650898854 /nfs/dbraw/zinc/89/88/54/650898854.db2.gz JNEJWZZLYUNATF-YNEHKIRRSA-N 0 3 276.380 2.490 20 10 CECDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])c[nH]1 ZINC000877756571 650899318 /nfs/dbraw/zinc/89/93/18/650899318.db2.gz UAYXKIXZQNMKCI-SNVBAGLBSA-N 0 3 274.320 2.358 20 10 CECDHN COC(=O)c1cc(C[NH2+][C@@H](C)c2ccccc2[O-])c[nH]1 ZINC000877757366 650900311 /nfs/dbraw/zinc/90/03/11/650900311.db2.gz UAYXKIXZQNMKCI-JTQLQIEISA-N 0 3 274.320 2.358 20 10 CECDHN CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756344285 644631874 /nfs/dbraw/zinc/63/18/74/644631874.db2.gz SXLLIYFCAQYRFV-IQJOONFLSA-N 0 3 253.317 2.440 20 10 CECDHN CCCNC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756355045 644634079 /nfs/dbraw/zinc/63/40/79/644634079.db2.gz GDHSMFFWUYPHNJ-MWLCHTKSSA-N 0 3 280.343 2.195 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCO[C@H](C)C2)c([O-])c1 ZINC000756542561 644661288 /nfs/dbraw/zinc/66/12/88/644661288.db2.gz BIRMEUWWDYKFJB-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000756565201 644668847 /nfs/dbraw/zinc/66/88/47/644668847.db2.gz WUVQCBNLKACSKZ-NEPJUHHUSA-N 0 3 283.343 2.235 20 10 CECDHN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(F)ccc1[O-] ZINC000756769069 644690431 /nfs/dbraw/zinc/69/04/31/644690431.db2.gz JBOSNDSUWBPXRZ-JOYOIKCWSA-N 0 3 253.317 2.343 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756773633 644691038 /nfs/dbraw/zinc/69/10/38/644691038.db2.gz AMDAVXGQSUOMTN-MRVWCRGKSA-N 0 3 276.380 2.266 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2[O-] ZINC000756830456 644696325 /nfs/dbraw/zinc/69/63/25/644696325.db2.gz QIGFVYMNBYJWOM-ZYHUDNBSSA-N 0 3 290.342 2.351 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)CC(F)(F)F)c([O-])c1 ZINC000756993441 644716823 /nfs/dbraw/zinc/71/68/23/644716823.db2.gz AQGKRYQIJUEUJT-JTQLQIEISA-N 0 3 293.285 2.194 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061970 644805655 /nfs/dbraw/zinc/80/56/55/644805655.db2.gz XESQPEPROHZYGH-GXTWGEPZSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061970 644805663 /nfs/dbraw/zinc/80/56/63/644805663.db2.gz XESQPEPROHZYGH-GXTWGEPZSA-N 0 3 279.380 2.241 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000857084289 644813398 /nfs/dbraw/zinc/81/33/98/644813398.db2.gz LNHZRPQLJXKUBG-XWIASGKRSA-N 0 3 292.354 2.290 20 10 CECDHN CC(C)C[C@@H](CN(C)C)NC(=O)C1=CC(=O)CS1 ZINC000758298033 644914655 /nfs/dbraw/zinc/91/46/55/644914655.db2.gz KIUQNEYJZRSIHK-JTQLQIEISA-N 0 3 270.398 2.160 20 10 CECDHN CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000758298033 644914642 /nfs/dbraw/zinc/91/46/42/644914642.db2.gz KIUQNEYJZRSIHK-JTQLQIEISA-N 0 3 270.398 2.160 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@H](C)CO)c([O-])c1 ZINC000758577350 644942924 /nfs/dbraw/zinc/94/29/24/644942924.db2.gz DSSIDFLPFWQUFX-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878151478 651014950 /nfs/dbraw/zinc/01/49/50/651014950.db2.gz REICNIFAZHSCGJ-AWEZNQCLSA-N 0 3 286.379 2.383 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCc2ncnn21 ZINC000878151478 651014952 /nfs/dbraw/zinc/01/49/52/651014952.db2.gz REICNIFAZHSCGJ-AWEZNQCLSA-N 0 3 286.379 2.383 20 10 CECDHN CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440115 646122392 /nfs/dbraw/zinc/12/23/92/646122392.db2.gz SQUNGPIHHUTTGV-NHYWBVRUSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768440115 646122394 /nfs/dbraw/zinc/12/23/94/646122394.db2.gz SQUNGPIHHUTTGV-NHYWBVRUSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444402 646123405 /nfs/dbraw/zinc/12/34/05/646123405.db2.gz AUOSGEKOHYULEF-QMTHXVAHSA-N 0 3 265.353 2.296 20 10 CECDHN CC[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768444402 646123406 /nfs/dbraw/zinc/12/34/06/646123406.db2.gz AUOSGEKOHYULEF-QMTHXVAHSA-N 0 3 265.353 2.296 20 10 CECDHN CC(C)[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464766 646128534 /nfs/dbraw/zinc/12/85/34/646128534.db2.gz UXQWNPPSCRWJPK-XHDPSFHLSA-N 0 3 277.364 2.296 20 10 CECDHN CC(C)[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768464766 646128539 /nfs/dbraw/zinc/12/85/39/646128539.db2.gz UXQWNPPSCRWJPK-XHDPSFHLSA-N 0 3 277.364 2.296 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000768518951 646134377 /nfs/dbraw/zinc/13/43/77/646134377.db2.gz JRIJIKBADOPYFK-QWHCGFSZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000768518951 646134380 /nfs/dbraw/zinc/13/43/80/646134380.db2.gz JRIJIKBADOPYFK-QWHCGFSZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c([O-])c1 ZINC000769311610 646242521 /nfs/dbraw/zinc/24/25/21/646242521.db2.gz NHIVEFIUHDLYKP-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC000769319636 646244124 /nfs/dbraw/zinc/24/41/24/646244124.db2.gz VXJJJQGXDJJJFS-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC000769319636 646244127 /nfs/dbraw/zinc/24/41/27/646244127.db2.gz VXJJJQGXDJJJFS-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(CN[C@@H](CO)c2ccsc2)c1O ZINC000769935355 646336331 /nfs/dbraw/zinc/33/63/31/646336331.db2.gz SNXCZROIUIHXAT-LBPRGKRZSA-N 0 3 279.361 2.286 20 10 CECDHN C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000863485242 646740206 /nfs/dbraw/zinc/74/02/06/646740206.db2.gz XKCBMUDVGKMHPT-KWQFWETISA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000863485241 646740463 /nfs/dbraw/zinc/74/04/63/646740463.db2.gz XKCBMUDVGKMHPT-KCJUWKMLSA-N 0 3 272.751 2.415 20 10 CECDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774618422 646868526 /nfs/dbraw/zinc/86/85/26/646868526.db2.gz JTMYCPUDRLTBPU-WDBKCZKBSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774618422 646868531 /nfs/dbraw/zinc/86/85/31/646868531.db2.gz JTMYCPUDRLTBPU-WDBKCZKBSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@@H](NCc1cnc(N(C)C)nc1)c1ccc(N(C)C)cc1 ZINC000775365128 646946259 /nfs/dbraw/zinc/94/62/59/646946259.db2.gz UIQRWARZZMNBDR-CYBMUJFWSA-N 0 3 299.422 2.459 20 10 CECDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000775412596 646951754 /nfs/dbraw/zinc/95/17/54/646951754.db2.gz ZPYCVNFLFBGJSI-ZDUSSCGKSA-N 0 3 289.423 2.414 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)C[C@@H](C)O)c([O-])c1 ZINC000865872362 647514433 /nfs/dbraw/zinc/51/44/33/647514433.db2.gz LCKYHJAPORBJLT-YPMHNXCESA-N 0 3 267.369 2.430 20 10 CECDHN C[C@@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866418962 647780636 /nfs/dbraw/zinc/78/06/36/647780636.db2.gz ZWULAFDTGHWKSX-XYPHTWIQSA-N 0 3 290.407 2.087 20 10 CECDHN C[C@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000792724736 648669457 /nfs/dbraw/zinc/66/94/57/648669457.db2.gz DCTGVPFECBYCFP-QMTHXVAHSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000792724736 648669461 /nfs/dbraw/zinc/66/94/61/648669461.db2.gz DCTGVPFECBYCFP-QMTHXVAHSA-N 0 3 295.404 2.003 20 10 CECDHN C[C@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000872117922 649282978 /nfs/dbraw/zinc/28/29/78/649282978.db2.gz TUQPJSLQIUSUMP-RYUDHWBXSA-N 0 3 263.337 2.386 20 10 CECDHN Oc1ccc(Cl)cc1CN1CCN(C2CC2)CC1 ZINC000127910061 651334766 /nfs/dbraw/zinc/33/47/66/651334766.db2.gz IHCJVAYYCONRNK-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN C[C@@H]([NH2+]CCN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879649317 651335444 /nfs/dbraw/zinc/33/54/44/651335444.db2.gz NCICXCDKOFQFGR-HZSPNIEDSA-N 0 3 278.396 2.152 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)c([O-])c1 ZINC000883317316 652430941 /nfs/dbraw/zinc/43/09/41/652430941.db2.gz BZZNZCLFFIMTSN-BJHJDKERSA-N 0 3 265.353 2.306 20 10 CECDHN O=C1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCCCC1 ZINC000131593486 652438366 /nfs/dbraw/zinc/43/83/66/652438366.db2.gz OMMNRCJLKXSGTO-HNNXBMFYSA-N 0 3 288.391 2.415 20 10 CECDHN CCN1CC[C@H]1CNCc1cc(F)c(N(C)C)cc1F ZINC000883358387 652441560 /nfs/dbraw/zinc/44/15/60/652441560.db2.gz JQLSWTIREAYTIY-LBPRGKRZSA-N 0 3 283.366 2.215 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCO[C@H]1CC1(F)F)CC2 ZINC000690723681 802880644 /nfs/dbraw/zinc/88/06/44/802880644.db2.gz BFRBYWQWZNCAIV-JQWIXIFHSA-N 0 3 269.291 2.393 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694591862 803571673 /nfs/dbraw/zinc/57/16/73/803571673.db2.gz WUQZTIWNNVJSTO-JSGCOSHPSA-N 0 3 297.420 2.400 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031720 803669124 /nfs/dbraw/zinc/66/91/24/803669124.db2.gz ITFIEMNSPIJUTD-NWDGAFQWSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c(OC)c1 ZINC001141031720 803669128 /nfs/dbraw/zinc/66/91/28/803669128.db2.gz ITFIEMNSPIJUTD-NWDGAFQWSA-N 0 3 295.379 2.002 20 10 CECDHN CCN(CC)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037126691 815012356 /nfs/dbraw/zinc/01/23/56/815012356.db2.gz IIXJBYKTXVYSRF-VXGBXAGGSA-N 0 3 264.369 2.300 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C2CCC(C(N)=O)CC2)c([O-])c1 ZINC000037152062 815018094 /nfs/dbraw/zinc/01/80/94/815018094.db2.gz SKYXESCGZSTQGP-HIFPTAJRSA-N 0 3 276.380 2.395 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001119450231 815115472 /nfs/dbraw/zinc/11/54/72/815115472.db2.gz FKFLRFRJRFMHSN-OAHLLOKOSA-N 0 3 291.391 2.064 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)c([O-])c1 ZINC001119450231 815115474 /nfs/dbraw/zinc/11/54/74/815115474.db2.gz FKFLRFRJRFMHSN-OAHLLOKOSA-N 0 3 291.391 2.064 20 10 CECDHN [NH3+][C@@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001205094676 807581491 /nfs/dbraw/zinc/58/14/91/807581491.db2.gz NXLCMUWNVLGKJL-GFCCVEGCSA-N 0 3 299.212 2.468 20 10 CECDHN CCOC(=O)[C@H]1CN(Cc2c(C)cccc2O)CCS1 ZINC001237493067 808222242 /nfs/dbraw/zinc/22/22/42/808222242.db2.gz VHLVQTRYORXZGW-CQSZACIVSA-N 0 3 295.404 2.181 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccccc2[O-])C1 ZINC001203556476 808698857 /nfs/dbraw/zinc/69/88/57/808698857.db2.gz QCZCMJRKUUXJMG-YPMHNXCESA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556476 808698871 /nfs/dbraw/zinc/69/88/71/808698871.db2.gz QCZCMJRKUUXJMG-YPMHNXCESA-N 0 3 263.337 2.023 20 10 CECDHN C[C@]12C[NH2+]C[C@@]1(C)CN(Cc1c([O-])cccc1Cl)C2 ZINC000702613330 809570879 /nfs/dbraw/zinc/57/08/79/809570879.db2.gz UAMANPBXKPCBFL-GASCZTMLSA-N 0 3 280.799 2.477 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000704340977 809730252 /nfs/dbraw/zinc/73/02/52/809730252.db2.gz OBJGAYDPIOWPRV-STQMWFEESA-N 0 3 262.353 2.054 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000381332412 810329014 /nfs/dbraw/zinc/32/90/14/810329014.db2.gz BTZNKBSPVGNBTI-ZWNOBZJWSA-N 0 3 266.772 2.229 20 10 CECDHN C[C@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1O ZINC001122365319 815404995 /nfs/dbraw/zinc/40/49/95/815404995.db2.gz NAFHYKFROSFPIO-STQMWFEESA-N 0 3 291.395 2.237 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170560850 812674507 /nfs/dbraw/zinc/67/45/07/812674507.db2.gz MTMFULIJTSKSNR-CHWSQXEVSA-N 0 3 275.348 2.092 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001170560850 812674510 /nfs/dbraw/zinc/67/45/10/812674510.db2.gz MTMFULIJTSKSNR-CHWSQXEVSA-N 0 3 275.348 2.092 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2C[C@H](O)[C@@H](C)C2)c1O ZINC000388201526 813231694 /nfs/dbraw/zinc/23/16/94/813231694.db2.gz SETBJLIDWUZGBW-SDBXPKJASA-N 0 3 283.755 2.061 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000391464453 813285213 /nfs/dbraw/zinc/28/52/13/813285213.db2.gz BMYHGXNTUHXPSM-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H]([NH2+][C@H](CCOC)COC)c1ccccc1[O-] ZINC000394096667 813335374 /nfs/dbraw/zinc/33/53/74/813335374.db2.gz RDWSQKCMTLFDNI-OCCSQVGLSA-N 0 3 267.369 2.484 20 10 CECDHN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(F)ccc1[O-] ZINC000397848865 813642568 /nfs/dbraw/zinc/64/25/68/813642568.db2.gz GHRNNDBUCIBZBD-SNVBAGLBSA-N 0 3 252.333 2.276 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CSC[C@H]2C)c([O-])c1 ZINC000397913089 813645027 /nfs/dbraw/zinc/64/50/27/813645027.db2.gz ZEJUJFLNBOYMCW-BXKDBHETSA-N 0 3 253.367 2.242 20 10 CECDHN Cc1n[nH]c(=O)c(C[NH2+][C@H](C)c2cc(F)ccc2[O-])c1C ZINC001116568904 814865801 /nfs/dbraw/zinc/86/58/01/814865801.db2.gz VZIUCXZKDKZOQJ-SNVBAGLBSA-N 0 3 291.326 2.495 20 10 CECDHN Cc1cc(CN2CC(C)(N(C)C)C2)ccc1N(C)C ZINC001139673774 816077056 /nfs/dbraw/zinc/07/70/56/816077056.db2.gz ZOOKELYPHNBKDG-UHFFFAOYSA-N 0 3 261.413 2.197 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@H]1O ZINC001140057418 816179795 /nfs/dbraw/zinc/17/97/95/816179795.db2.gz GXOKWZWMUQSGNP-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@H]1O ZINC001140057418 816179799 /nfs/dbraw/zinc/17/97/99/816179799.db2.gz GXOKWZWMUQSGNP-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001140950704 816424484 /nfs/dbraw/zinc/42/44/84/816424484.db2.gz DNCWTDAFQGOAOO-UPUJQMMVSA-N 0 3 259.349 2.310 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)c([O-])c1 ZINC001140950704 816424487 /nfs/dbraw/zinc/42/44/87/816424487.db2.gz DNCWTDAFQGOAOO-UPUJQMMVSA-N 0 3 259.349 2.310 20 10 CECDHN COc1cccc(C[NH2+]CCc2ccncc2)c1[O-] ZINC000048261317 362252086 /nfs/dbraw/zinc/25/20/86/362252086.db2.gz ALLWRATZNSCAAI-UHFFFAOYSA-N 0 3 258.321 2.128 20 10 CECDHN C[N@H+](CCCn1ccnc1)Cc1cc(F)ccc1[O-] ZINC000290625215 344684352 /nfs/dbraw/zinc/68/43/52/344684352.db2.gz XNZNQTSQQWBITL-UHFFFAOYSA-N 0 3 263.316 2.250 20 10 CECDHN C[N@@H+](CCCn1ccnc1)Cc1cc(F)ccc1[O-] ZINC000290625215 344684355 /nfs/dbraw/zinc/68/43/55/344684355.db2.gz XNZNQTSQQWBITL-UHFFFAOYSA-N 0 3 263.316 2.250 20 10 CECDHN NC(=O)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCCC1 ZINC000297651865 283280346 /nfs/dbraw/zinc/28/03/46/283280346.db2.gz KFWKSASYKRPRHY-LBPRGKRZSA-N 0 3 274.364 2.015 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccccc1[O-] ZINC000020120632 361581053 /nfs/dbraw/zinc/58/10/53/361581053.db2.gz POWRSMWVUPNNKJ-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN CCCOc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000156099435 366827363 /nfs/dbraw/zinc/82/73/63/366827363.db2.gz RJQWJNJDAIFVSS-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000156099435 366827367 /nfs/dbraw/zinc/82/73/67/366827367.db2.gz RJQWJNJDAIFVSS-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820663 364233579 /nfs/dbraw/zinc/23/35/79/364233579.db2.gz CAPHPLFFLRHYAN-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820663 364233583 /nfs/dbraw/zinc/23/35/83/364233583.db2.gz CAPHPLFFLRHYAN-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1cccc(C[NH2+]CC2CCOCC2)c1[O-] ZINC000110904309 364724578 /nfs/dbraw/zinc/72/45/78/364724578.db2.gz WATMVAMKHWBNCY-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN Cc1nn(C)c(C)c1CN(C)Cc1ccccc1O ZINC000111236189 364725389 /nfs/dbraw/zinc/72/53/89/364725389.db2.gz JOXKSICMZOTBIS-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)CCOC)c([O-])c1 ZINC000172069791 367667788 /nfs/dbraw/zinc/66/77/88/367667788.db2.gz CCVCRQZOBXLZOX-MRXNPFEDSA-N 0 3 297.395 2.058 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cccc(C)c3O)[C@@H]2C1 ZINC000245871588 370881893 /nfs/dbraw/zinc/88/18/93/370881893.db2.gz RUESITPTPINVBL-OAGGEKHMSA-N 0 3 291.391 2.469 20 10 CECDHN CCOC(=O)[C@@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000179843800 368354429 /nfs/dbraw/zinc/35/44/29/368354429.db2.gz CALICALZUUAXMF-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179843800 368354433 /nfs/dbraw/zinc/35/44/33/368354433.db2.gz CALICALZUUAXMF-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000179843800 368354440 /nfs/dbraw/zinc/35/44/40/368354440.db2.gz CALICALZUUAXMF-GFCCVEGCSA-N 0 3 293.363 2.176 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000180057281 368366108 /nfs/dbraw/zinc/36/61/08/368366108.db2.gz CJAQXPYHYOAAJM-UHFFFAOYSA-N 0 3 281.327 2.116 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180253990 368374612 /nfs/dbraw/zinc/37/46/12/368374612.db2.gz UCFLJPKMCILRFK-JSGCOSHPSA-N 0 3 283.368 2.238 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000180253990 368374618 /nfs/dbraw/zinc/37/46/18/368374618.db2.gz UCFLJPKMCILRFK-JSGCOSHPSA-N 0 3 283.368 2.238 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCC(=O)NC(C)C)c([O-])c1 ZINC000181270216 368439144 /nfs/dbraw/zinc/43/91/44/368439144.db2.gz YZGGXOZHFBTXAW-LBPRGKRZSA-N 0 3 264.369 2.266 20 10 CECDHN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000185705614 368847625 /nfs/dbraw/zinc/84/76/25/368847625.db2.gz QWDDTBJWKLMDEW-AAEUAGOBSA-N 0 3 283.343 2.378 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000188118427 369300563 /nfs/dbraw/zinc/30/05/63/369300563.db2.gz MAGWYKDXVCDNSP-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000188118427 369300569 /nfs/dbraw/zinc/30/05/69/369300569.db2.gz MAGWYKDXVCDNSP-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248846966 371255307 /nfs/dbraw/zinc/25/53/07/371255307.db2.gz PIEHNMUCQYYQEJ-QEJZJMRPSA-N 0 3 289.375 2.474 20 10 CECDHN CC[C@@H](N[C@@H](CCO)COC)c1ccc(N(C)C)cc1 ZINC000269048540 372326043 /nfs/dbraw/zinc/32/60/43/372326043.db2.gz WYAHFYQIAKKAJD-GOEBONIOSA-N 0 3 280.412 2.191 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1cc(F)ccc1[O-] ZINC000367687696 373180787 /nfs/dbraw/zinc/18/07/87/373180787.db2.gz LHGRVKPPMIBDMO-ZBPZKIAKSA-N 0 3 251.301 2.074 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000271279554 373187168 /nfs/dbraw/zinc/18/71/68/373187168.db2.gz LTBPWZQOCBBGRX-BLLLJJGKSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)c([O-])c1 ZINC000271279554 373187175 /nfs/dbraw/zinc/18/71/75/373187175.db2.gz LTBPWZQOCBBGRX-BLLLJJGKSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1[O-] ZINC000271380873 373190590 /nfs/dbraw/zinc/19/05/90/373190590.db2.gz DJKHFBDQHBCCFZ-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271450586 373191845 /nfs/dbraw/zinc/19/18/45/373191845.db2.gz RTBMTRUNWYIOEI-AWEZNQCLSA-N 0 3 277.364 2.476 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273347915 373751217 /nfs/dbraw/zinc/75/12/17/373751217.db2.gz BBHLHQWMNUBPDS-CHWSQXEVSA-N 0 3 267.369 2.057 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392028 373755942 /nfs/dbraw/zinc/75/59/42/373755942.db2.gz LBFPGJGANNTBTL-NWDGAFQWSA-N 0 3 290.407 2.446 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000371412436 373872879 /nfs/dbraw/zinc/87/28/79/373872879.db2.gz GTHMWTQISWVFBJ-CFVMTHIKSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000371412436 373872884 /nfs/dbraw/zinc/87/28/84/373872884.db2.gz GTHMWTQISWVFBJ-CFVMTHIKSA-N 0 3 288.391 2.319 20 10 CECDHN CN(C)C/C=C/C(=O)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000371612888 373933608 /nfs/dbraw/zinc/93/36/08/373933608.db2.gz XDFFETGOBLVHFO-AATRIKPKSA-N 0 3 299.418 2.096 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CSC2(C)C)c1[O-] ZINC000282657955 375541217 /nfs/dbraw/zinc/54/12/17/375541217.db2.gz IKEZFSKEPLTSMC-LLVKDONJSA-N 0 3 253.367 2.384 20 10 CECDHN CC[C@H](N[C@@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821487 375586333 /nfs/dbraw/zinc/58/63/33/375586333.db2.gz RTXAMUAZWACFSH-WFASDCNBSA-N 0 3 295.402 2.268 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NC(C)C)c([O-])c1 ZINC000284162728 375820017 /nfs/dbraw/zinc/82/00/17/375820017.db2.gz PXXRMOZKSABISR-LBPRGKRZSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1cc(C)c([C@H](C)NCC(=O)NC(C)C)c(O)c1 ZINC000284162728 375820021 /nfs/dbraw/zinc/82/00/21/375820021.db2.gz PXXRMOZKSABISR-LBPRGKRZSA-N 0 3 264.369 2.184 20 10 CECDHN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000284404826 375828191 /nfs/dbraw/zinc/82/81/91/375828191.db2.gz PYWXULUBIKXCAW-YWPYICTPSA-N 0 3 281.396 2.201 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC(F)F)c([O-])c1 ZINC000285418670 375838227 /nfs/dbraw/zinc/83/82/27/375838227.db2.gz YCDORDXBTHSEAE-JTQLQIEISA-N 0 3 286.322 2.041 20 10 CECDHN Cc1cc(C)c([C@H](C)NCC(=O)NCC(F)F)c(O)c1 ZINC000285418670 375838233 /nfs/dbraw/zinc/83/82/33/375838233.db2.gz YCDORDXBTHSEAE-JTQLQIEISA-N 0 3 286.322 2.041 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2COc3ccccc3[C@@H]2O)c1 ZINC000288507089 376378643 /nfs/dbraw/zinc/37/86/43/376378643.db2.gz ILPRUTUVFDXGPK-PBHICJAKSA-N 0 3 285.343 2.285 20 10 CECDHN C[C@H](O)c1ncc(CNCc2ccccc2O)s1 ZINC000289046695 376386715 /nfs/dbraw/zinc/38/67/15/376386715.db2.gz BBIHYPORPDZPKE-VIFPVBQESA-N 0 3 264.350 2.192 20 10 CECDHN CN1CC[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331698 /nfs/dbraw/zinc/33/16/98/377331698.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 3 264.344 2.059 20 10 CECDHN CN1CC[C@@]2(CC[N@@H+](Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331705 /nfs/dbraw/zinc/33/17/05/377331705.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 3 264.344 2.059 20 10 CECDHN C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331713 /nfs/dbraw/zinc/33/17/13/377331713.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 3 264.344 2.059 20 10 CECDHN C[N@H+]1CC[C@@]2(CCN(Cc3cccc(F)c3[O-])C2)C1 ZINC000292883687 377331723 /nfs/dbraw/zinc/33/17/23/377331723.db2.gz YADHWHFQKAXLAA-OAHLLOKOSA-N 0 3 264.344 2.059 20 10 CECDHN O=C(NCCCCC[NH+]1CCCC1)c1cccc(O)c1[O-] ZINC000294024008 377874866 /nfs/dbraw/zinc/87/48/66/377874866.db2.gz WBMRIHIMWMBBER-UHFFFAOYSA-N 0 3 292.379 2.094 20 10 CECDHN CC[C@H](NCc1ccc(OC)c(C)c1)[C@@H](O)C(F)F ZINC000295071655 378038601 /nfs/dbraw/zinc/03/86/01/378038601.db2.gz PIEZKJMGJPLFAW-WCQYABFASA-N 0 3 273.323 2.498 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](SC)C2)cc1OC ZINC000295132818 378043367 /nfs/dbraw/zinc/04/33/67/378043367.db2.gz YJKFLPNHJYYJHY-NSHDSACASA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](SC)C2)cc1OC ZINC000295132818 378043369 /nfs/dbraw/zinc/04/33/69/378043369.db2.gz YJKFLPNHJYYJHY-NSHDSACASA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc(O)c(CN2CC[C@H](SC)C2)cc1OC ZINC000295132818 378043374 /nfs/dbraw/zinc/04/33/74/378043374.db2.gz YJKFLPNHJYYJHY-NSHDSACASA-N 0 3 283.393 2.347 20 10 CECDHN C[C@H](Cn1ccnc1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296066666 378408600 /nfs/dbraw/zinc/40/86/00/378408600.db2.gz RYLJQQRKLNVUEM-YPMHNXCESA-N 0 3 257.337 2.254 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CC=CCC1)CC2 ZINC000296616747 378593393 /nfs/dbraw/zinc/59/33/93/378593393.db2.gz YXIAQQOMAGNHKO-CQSZACIVSA-N 0 3 258.365 2.231 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCO[C@H]1CCOC1)CC2 ZINC000297540138 378686705 /nfs/dbraw/zinc/68/67/05/378686705.db2.gz DYWBIMHDKVUDBG-KBPBESRZSA-N 0 3 277.364 2.165 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1OC ZINC000529670092 380183563 /nfs/dbraw/zinc/18/35/63/380183563.db2.gz QZIPGNKCCZAXDU-UDKBDQPSSA-N 0 3 295.379 2.311 20 10 CECDHN CC[C@@H](C)N(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226590700 262379598 /nfs/dbraw/zinc/37/95/98/262379598.db2.gz IFEUMPBWLUBVEG-LLVKDONJSA-N 0 3 254.349 2.351 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCN(C)C)c1[O-] ZINC000228672853 394476454 /nfs/dbraw/zinc/47/64/54/394476454.db2.gz IIVWCVGAGWYJPM-SNVBAGLBSA-N 0 3 286.803 2.484 20 10 CECDHN COCCOC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093339278 394664153 /nfs/dbraw/zinc/66/41/53/394664153.db2.gz RAUONHCXDMPJMM-UHFFFAOYSA-N 0 3 292.423 2.380 20 10 CECDHN CC[C@@H](C(=O)NCc1ccc(N(C)C)cc1)N(CC)CC ZINC000265460176 394649436 /nfs/dbraw/zinc/64/94/36/394649436.db2.gz XGINRYORPVLXQH-INIZCTEOSA-N 0 3 291.439 2.489 20 10 CECDHN COC[C@H](C)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000271122793 394747743 /nfs/dbraw/zinc/74/77/43/394747743.db2.gz KZQAUZQUMVAZFW-NSHDSACASA-N 0 3 254.349 2.358 20 10 CECDHN COC(=O)[C@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000120594914 394781303 /nfs/dbraw/zinc/78/13/03/394781303.db2.gz WGDLZVMRJMJOPJ-LLVKDONJSA-N 0 3 282.359 2.133 20 10 CECDHN CC[C@H](C)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000133822062 394955262 /nfs/dbraw/zinc/95/52/62/394955262.db2.gz HUVPOMRJNBDBQX-ZDUSSCGKSA-N 0 3 278.396 2.317 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000373483715 395061868 /nfs/dbraw/zinc/06/18/68/395061868.db2.gz VUEYXNMJDVPQFJ-ZBFHGGJFSA-N 0 3 277.364 2.162 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000373483715 395061872 /nfs/dbraw/zinc/06/18/72/395061872.db2.gz VUEYXNMJDVPQFJ-ZBFHGGJFSA-N 0 3 277.364 2.162 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000374282964 395078698 /nfs/dbraw/zinc/07/86/98/395078698.db2.gz KCOIFDHMTJSNGG-XBFCOCLRSA-N 0 3 274.364 2.011 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1ccccc1[O-] ZINC000374282964 395078702 /nfs/dbraw/zinc/07/87/02/395078702.db2.gz KCOIFDHMTJSNGG-XBFCOCLRSA-N 0 3 274.364 2.011 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1 ZINC000178711269 395172460 /nfs/dbraw/zinc/17/24/60/395172460.db2.gz QPUFAUMGHFUXOT-MRXNPFEDSA-N 0 3 289.423 2.291 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2cnn(C)c2)c1 ZINC000182372224 395240895 /nfs/dbraw/zinc/24/08/95/395240895.db2.gz NZVMPQUDMHMMTC-GFCCVEGCSA-N 0 3 289.379 2.418 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCc3ccccc32)c1 ZINC000182653510 395246375 /nfs/dbraw/zinc/24/63/75/395246375.db2.gz QRLHYZKVTOCBBL-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN O=C1C[C@H](c2ccccc2)[N@H+](Cc2ccccc2[O-])CCN1 ZINC000179561436 395194822 /nfs/dbraw/zinc/19/48/22/395194822.db2.gz GFFBXMYBMFSMOB-MRXNPFEDSA-N 0 3 296.370 2.455 20 10 CECDHN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2ccccc2[O-])CCN1 ZINC000179561436 395194825 /nfs/dbraw/zinc/19/48/25/395194825.db2.gz GFFBXMYBMFSMOB-MRXNPFEDSA-N 0 3 296.370 2.455 20 10 CECDHN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179565696 395194866 /nfs/dbraw/zinc/19/48/66/395194866.db2.gz KWCZNHKCVNFCJA-AWEZNQCLSA-N 0 3 290.407 2.376 20 10 CECDHN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179565696 395194870 /nfs/dbraw/zinc/19/48/70/395194870.db2.gz KWCZNHKCVNFCJA-AWEZNQCLSA-N 0 3 290.407 2.376 20 10 CECDHN CC[NH+](CC)CCN(CCOC)Cc1ccccc1[O-] ZINC000179570678 395196644 /nfs/dbraw/zinc/19/66/44/395196644.db2.gz XXDAFSBUQDCBIG-UHFFFAOYSA-N 0 3 280.412 2.182 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000193886340 395417925 /nfs/dbraw/zinc/41/79/25/395417925.db2.gz HNBOMDFUJUJMDN-SDDRHHMPSA-N 0 3 263.337 2.385 20 10 CECDHN COc1cc([O-])c(C[N@H+](C(C)C)[C@H]2CCOC2)cc1OC ZINC000291049329 286238822 /nfs/dbraw/zinc/23/88/22/286238822.db2.gz GWNQJXQTBJFJFS-ZDUSSCGKSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C(C)C)[C@H]2CCOC2)cc1OC ZINC000291049329 286238825 /nfs/dbraw/zinc/23/88/25/286238825.db2.gz GWNQJXQTBJFJFS-ZDUSSCGKSA-N 0 3 295.379 2.409 20 10 CECDHN CCNC(=O)[C@@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000035134263 172001022 /nfs/dbraw/zinc/00/10/22/172001022.db2.gz ZMBBXKXCEPERIW-CYBMUJFWSA-N 0 3 277.412 2.147 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038043966 174051671 /nfs/dbraw/zinc/05/16/71/174051671.db2.gz VUWDCXPWQNHNLH-NWDGAFQWSA-N 0 3 265.353 2.478 20 10 CECDHN CCOC(=O)N[C@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000154010361 261086680 /nfs/dbraw/zinc/08/66/80/261086680.db2.gz XRPTWACNSOSLQL-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN CC[C@@H]([NH2+]CCCN(C)CCOC)c1ccccc1[O-] ZINC000155114211 261098301 /nfs/dbraw/zinc/09/83/01/261098301.db2.gz PRAYOTLGCASLST-OAHLLOKOSA-N 0 3 280.412 2.401 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1[O-] ZINC000155587309 261104070 /nfs/dbraw/zinc/10/40/70/261104070.db2.gz VHMMPXHOLIFALG-GXTWGEPZSA-N 0 3 286.379 2.348 20 10 CECDHN CCOCC[N@H+](CC)Cc1cc(OC)ccc1[O-] ZINC000156022293 261111548 /nfs/dbraw/zinc/11/15/48/261111548.db2.gz WIROZGVAXFDGPI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOCC[N@@H+](CC)Cc1cc(OC)ccc1[O-] ZINC000156022293 261111550 /nfs/dbraw/zinc/11/15/50/261111550.db2.gz WIROZGVAXFDGPI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N(C)C ZINC000156319269 261120144 /nfs/dbraw/zinc/12/01/44/261120144.db2.gz NBKRAXSNDQMRMY-HNNXBMFYSA-N 0 3 290.407 2.227 20 10 CECDHN CC[C@@H](NCC(=O)NC(C)C)c1ccc(N(C)C)cc1 ZINC000160953776 261232632 /nfs/dbraw/zinc/23/26/32/261232632.db2.gz YMJPHAWQFDQAFY-OAHLLOKOSA-N 0 3 277.412 2.318 20 10 CECDHN CC(=O)NCCC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184921859 262034389 /nfs/dbraw/zinc/03/43/89/262034389.db2.gz XIFBZKUPOIOYHM-LBPRGKRZSA-N 0 3 290.407 2.448 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCC(O)CC2)c1 ZINC000185116004 262041985 /nfs/dbraw/zinc/04/19/85/262041985.db2.gz SLFSAJNAACKOHH-CQSZACIVSA-N 0 3 292.423 2.198 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185318300 262051027 /nfs/dbraw/zinc/05/10/27/262051027.db2.gz XUBWENHTKWTETL-CABZTGNLSA-N 0 3 290.342 2.097 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(O)CCSC2)c1 ZINC000185638542 262063523 /nfs/dbraw/zinc/06/35/23/262063523.db2.gz WDXJKCBEJXTYDL-FZMZJTMJSA-N 0 3 267.394 2.219 20 10 CECDHN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185674132 262066131 /nfs/dbraw/zinc/06/61/31/262066131.db2.gz YSKWLTZHDGPNJF-NTZNESFSSA-N 0 3 283.343 2.376 20 10 CECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000186110852 262079898 /nfs/dbraw/zinc/07/98/98/262079898.db2.gz AIWLSAUPPXWWLJ-QWHCGFSZSA-N 0 3 291.395 2.155 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccccc1[O-] ZINC000186566980 262099873 /nfs/dbraw/zinc/09/98/73/262099873.db2.gz ANKDEIFTQFDTMM-LSDHHAIUSA-N 0 3 291.439 2.069 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000185511168 262305972 /nfs/dbraw/zinc/30/59/72/262305972.db2.gz RMNQWWXXRQMGQT-GPCCPHFNSA-N 0 3 285.409 2.164 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c([O-])c1 ZINC000368331294 267163288 /nfs/dbraw/zinc/16/32/88/267163288.db2.gz JCAVBSZALRJZPK-COMQUAJESA-N 0 3 288.391 2.361 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000368334611 267163688 /nfs/dbraw/zinc/16/36/88/267163688.db2.gz WEOLCEVXZKTLFZ-ZFWWWQNUSA-N 0 3 290.407 2.214 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369677158 267259619 /nfs/dbraw/zinc/25/96/19/267259619.db2.gz VPLBGMNMGHCRQS-IINYFYTJSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369677158 267259623 /nfs/dbraw/zinc/25/96/23/267259623.db2.gz VPLBGMNMGHCRQS-IINYFYTJSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000134116558 275061595 /nfs/dbraw/zinc/06/15/95/275061595.db2.gz XDPDRODSVOIEAB-HNNXBMFYSA-N 0 3 260.381 2.452 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](N2CCCCC2)C1 ZINC000134116558 275061596 /nfs/dbraw/zinc/06/15/96/275061596.db2.gz XDPDRODSVOIEAB-HNNXBMFYSA-N 0 3 260.381 2.452 20 10 CECDHN C[C@@H](Cn1cccn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296686116 278301517 /nfs/dbraw/zinc/30/15/17/278301517.db2.gz GWVUHQMARXSWQO-AAEUAGOBSA-N 0 3 257.337 2.254 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000185823177 327846734 /nfs/dbraw/zinc/84/67/34/327846734.db2.gz VARILYGDBGTOQW-LQPUYASZSA-N 0 3 265.353 2.208 20 10 CECDHN CN(C)c1ccc(CNC[C@@](C)(O)c2ccco2)cc1F ZINC000266127250 328167971 /nfs/dbraw/zinc/16/79/71/328167971.db2.gz BXXYIJGJLBZAHP-MRXNPFEDSA-N 0 3 292.354 2.482 20 10 CECDHN CCC[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2[O-])CCOC1 ZINC000289947686 328256852 /nfs/dbraw/zinc/25/68/52/328256852.db2.gz YNIKSNRSVHEDSH-MRXNPFEDSA-N 0 3 295.379 2.458 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCc2cnn(C)c2)c1 ZINC000148785425 328416310 /nfs/dbraw/zinc/41/63/10/328416310.db2.gz SPGYYTCWGBRCGG-LLVKDONJSA-N 0 3 275.352 2.028 20 10 CECDHN O=C(c1ccc[nH]1)N1CCCN(Cc2ccccc2O)CC1 ZINC000378373060 329047875 /nfs/dbraw/zinc/04/78/75/329047875.db2.gz WTABTSPTWXLRKU-UHFFFAOYSA-N 0 3 299.374 2.068 20 10 CECDHN Oc1ccccc1CN1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000189898251 329388274 /nfs/dbraw/zinc/38/82/74/329388274.db2.gz KWEWDGXJQBUCTL-UHFFFAOYSA-N 0 3 298.390 2.315 20 10 CECDHN CCn1nncc1CN[C@@H](C)c1c(C)cc(C)cc1O ZINC000527917234 330295150 /nfs/dbraw/zinc/29/51/50/330295150.db2.gz RXKWUEBQHBYBIP-LBPRGKRZSA-N 0 3 274.368 2.471 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000230934234 333322604 /nfs/dbraw/zinc/32/26/04/333322604.db2.gz WKDWJSJFGWZHDU-LBPRGKRZSA-N 0 3 284.787 2.238 20 10 CECDHN CCOc1cccc(CN2CC[C@H](OC)C2)c1O ZINC000233821221 521345370 /nfs/dbraw/zinc/34/53/70/521345370.db2.gz TXXZQSYKVSYCQG-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CC[N@@H+]1CCN(Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000289863817 521689351 /nfs/dbraw/zinc/68/93/51/521689351.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N 0 3 252.333 2.057 20 10 CECDHN CC[N@H+]1CCN(Cc2cccc(F)c2[O-])[C@H](C)C1 ZINC000289863817 521689353 /nfs/dbraw/zinc/68/93/53/521689353.db2.gz VNDCJBLCRTXFGI-LLVKDONJSA-N 0 3 252.333 2.057 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2=CCCOC2)c1[O-] ZINC000289986333 522540893 /nfs/dbraw/zinc/54/08/93/522540893.db2.gz BYMKSZNDVKRZBL-UHFFFAOYSA-N 0 3 283.755 2.491 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000280939286 519552699 /nfs/dbraw/zinc/55/26/99/519552699.db2.gz IQTDKULOWHSPQL-GXTWGEPZSA-N 0 3 276.380 2.301 20 10 CECDHN CCCCN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000072816381 520397347 /nfs/dbraw/zinc/39/73/47/520397347.db2.gz IKSCGAKGKMQZER-UHFFFAOYSA-N 0 3 277.412 2.101 20 10 CECDHN CCOC(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000071406285 520930760 /nfs/dbraw/zinc/93/07/60/520930760.db2.gz OUPMBDSXTBFBOD-UHFFFAOYSA-N 0 3 292.379 2.411 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](OC)C2)c1[O-] ZINC000233821221 521345356 /nfs/dbraw/zinc/34/53/56/521345356.db2.gz TXXZQSYKVSYCQG-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](OC)C2)c1[O-] ZINC000233821221 521345364 /nfs/dbraw/zinc/34/53/64/521345364.db2.gz TXXZQSYKVSYCQG-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1cccc(C[NH2+]CC2(O)CCCC2)c1[O-] ZINC000096479108 521362045 /nfs/dbraw/zinc/36/20/45/521362045.db2.gz KNTZWBFILGEQQI-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236893905 521949563 /nfs/dbraw/zinc/94/95/63/521949563.db2.gz PCFOCCFBHSPRLE-LRDDRELGSA-N 0 3 289.423 2.059 20 10 CECDHN CN(C)c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000127873794 522180934 /nfs/dbraw/zinc/18/09/34/522180934.db2.gz PNBJWHMFOFJMSF-UHFFFAOYSA-N 0 3 259.397 2.033 20 10 CECDHN CN(C)c1ccc(CNCCC(=O)N2CCCCC2)cc1 ZINC000069715499 522204452 /nfs/dbraw/zinc/20/44/52/522204452.db2.gz LZQGMJBQSPJSTB-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(C(C)C)C1)c1ccccc1[O-] ZINC000274896960 522710246 /nfs/dbraw/zinc/71/02/46/522710246.db2.gz KKEIOEODQYCGTR-OCCSQVGLSA-N 0 3 276.380 2.442 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(F)ccc1[O-] ZINC000289777719 524023666 /nfs/dbraw/zinc/02/36/66/524023666.db2.gz RNLBQEWWDFBERV-RLTXXFFMSA-N 0 3 277.339 2.387 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(F)ccc1[O-] ZINC000289777719 524023670 /nfs/dbraw/zinc/02/36/70/524023670.db2.gz RNLBQEWWDFBERV-RLTXXFFMSA-N 0 3 277.339 2.387 20 10 CECDHN C[C@@H](C(=O)NCCc1ccc(N)cc1)[C@@H](N)c1ccccc1 ZINC000262583166 524190322 /nfs/dbraw/zinc/19/03/22/524190322.db2.gz RJMFASYWBCUFBX-CXAGYDPISA-N 0 3 297.402 2.264 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1 ZINC000285447653 524332933 /nfs/dbraw/zinc/33/29/33/524332933.db2.gz ZHXVNIJRWSBLMV-HEHGZKQESA-N 0 3 279.380 2.200 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)c1O ZINC000280370261 524409808 /nfs/dbraw/zinc/40/98/08/524409808.db2.gz DJSZNYLNNUBOJE-GRDNDAEWSA-N 0 3 291.391 2.469 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000037157737 524767282 /nfs/dbraw/zinc/76/72/82/524767282.db2.gz IKGIKPQDVNQYCH-NWDGAFQWSA-N 0 3 275.352 2.337 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)c([O-])c1 ZINC000297385146 525745256 /nfs/dbraw/zinc/74/52/56/525745256.db2.gz RKLJQYVQGIUJOI-HUUCEWRRSA-N 0 3 292.423 2.198 20 10 CECDHN C[C@@H](O)CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000127667140 525762545 /nfs/dbraw/zinc/76/25/45/525762545.db2.gz XBBRVLDMGLQARD-LLVKDONJSA-N 0 3 254.349 2.094 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000290270829 526351275 /nfs/dbraw/zinc/35/12/75/526351275.db2.gz XVULRCQUPRLMSQ-BBRMVZONSA-N 0 3 289.306 2.116 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@]2(C)CCOC2)c([O-])c1 ZINC000733327627 574664519 /nfs/dbraw/zinc/66/45/19/574664519.db2.gz JGUQNCKMPCHYTL-OAHLLOKOSA-N 0 3 265.353 2.307 20 10 CECDHN COc1cccc(CNC[C@@H](OC)C(F)(F)F)c1O ZINC000733330137 574665089 /nfs/dbraw/zinc/66/50/89/574665089.db2.gz OWXPYIMHOJIPBL-SNVBAGLBSA-N 0 3 279.258 2.068 20 10 CECDHN [O-]c1ccccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000733331052 574665166 /nfs/dbraw/zinc/66/51/66/574665166.db2.gz YJSJATSVFXUWSH-MRXNPFEDSA-N 0 3 290.407 2.125 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000742374628 575017818 /nfs/dbraw/zinc/01/78/18/575017818.db2.gz AQWZPBLGNVLUPS-JSGCOSHPSA-N 0 3 278.396 2.363 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)CCO)c([O-])c1 ZINC000742380500 575018549 /nfs/dbraw/zinc/01/85/49/575018549.db2.gz OOVUNJBQRXJUKW-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NCc1ccccc1 ZINC000309720418 625293782 /nfs/dbraw/zinc/29/37/82/625293782.db2.gz NNPJHBQZCZHSFL-HNNXBMFYSA-N 0 3 296.370 2.286 20 10 CECDHN CCCNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891464892 623726165 /nfs/dbraw/zinc/72/61/65/623726165.db2.gz LFJJWEKFXNMVAL-HNNXBMFYSA-N 0 3 292.427 2.065 20 10 CECDHN COc1ccc(C[N@H+](C)C2CCC2)c([O-])c1OC ZINC000892059147 624284379 /nfs/dbraw/zinc/28/43/79/624284379.db2.gz XALIEIQIWADTRX-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN COc1ccc(C[N@@H+](C)C2CCC2)c([O-])c1OC ZINC000892059147 624284380 /nfs/dbraw/zinc/28/43/80/624284380.db2.gz XALIEIQIWADTRX-UHFFFAOYSA-N 0 3 251.326 2.394 20 10 CECDHN COC(=O)N1CCC([C@@H](C)[NH2+]Cc2ccccc2[O-])CC1 ZINC000186354759 628250502 /nfs/dbraw/zinc/25/05/02/628250502.db2.gz RHXWIZRSYHBEQV-GFCCVEGCSA-N 0 3 292.379 2.349 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn(C)cn2)c([O-])c1 ZINC000313268394 628585701 /nfs/dbraw/zinc/58/57/01/628585701.db2.gz LVEURHFYIRZCSW-GFCCVEGCSA-N 0 3 259.353 2.327 20 10 CECDHN CCOC(C[NH2+][C@@H](C)c1ccccc1[O-])OCC ZINC000093447308 628659727 /nfs/dbraw/zinc/65/97/27/628659727.db2.gz SHDDDOBHMPNFQC-NSHDSACASA-N 0 3 253.342 2.442 20 10 CECDHN COc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)c([O-])c1 ZINC000894185905 629196098 /nfs/dbraw/zinc/19/60/98/629196098.db2.gz UMBSDEGHUHAEAV-XOMBGVMMSA-N 0 3 277.364 2.448 20 10 CECDHN COc1cc(CN2CC[C@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629443 634752482 /nfs/dbraw/zinc/75/24/82/634752482.db2.gz DKFNVOHNVPPSFX-LBPRGKRZSA-N 0 3 279.380 2.265 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000895586029 630261209 /nfs/dbraw/zinc/26/12/09/630261209.db2.gz PPJHZHJGVHJFDZ-CQSZACIVSA-N 0 3 275.348 2.234 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c([O-])c1 ZINC000895677329 630297141 /nfs/dbraw/zinc/29/71/41/630297141.db2.gz LKTKDLCFWHJXFH-SNVBAGLBSA-N 0 3 299.239 2.349 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785421 630344179 /nfs/dbraw/zinc/34/41/79/630344179.db2.gz QJMZHMLGYULMBX-KGLIPLIRSA-N 0 3 293.338 2.342 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCC3(C[C@H]1F)OCCO3)C2 ZINC000895785421 630344181 /nfs/dbraw/zinc/34/41/81/630344181.db2.gz QJMZHMLGYULMBX-KGLIPLIRSA-N 0 3 293.338 2.342 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(OC(C)C)CCOC1 ZINC000896668143 630629249 /nfs/dbraw/zinc/62/92/49/630629249.db2.gz BQMXSNFDOFKUKG-INIZCTEOSA-N 0 3 279.380 2.374 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000897020466 630887365 /nfs/dbraw/zinc/88/73/65/630887365.db2.gz GKRABMUBARKBNZ-CQSZACIVSA-N 0 3 290.363 2.021 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000228669257 631213859 /nfs/dbraw/zinc/21/38/59/631213859.db2.gz WGFPEJJBNYRELV-UHFFFAOYSA-N 0 3 286.803 2.484 20 10 CECDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1cncs1 ZINC000897934297 631972072 /nfs/dbraw/zinc/97/20/72/631972072.db2.gz HDARWQVUAIXXRE-QMMMGPOBSA-N 0 3 278.333 2.428 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808709938 632004052 /nfs/dbraw/zinc/00/40/52/632004052.db2.gz JIMLKGZUGNTZQW-CMPLNLGQSA-N 0 3 287.787 2.402 20 10 CECDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717009 632005583 /nfs/dbraw/zinc/00/55/83/632005583.db2.gz BRDCSOWUGIKDBH-GXSJLCMTSA-N 0 3 273.760 2.012 20 10 CECDHN CCO[C@H](C[NH2+][C@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000926964920 632394780 /nfs/dbraw/zinc/39/47/80/632394780.db2.gz YLBKQACHFCQRAQ-DGCLKSJQSA-N 0 3 284.375 2.149 20 10 CECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000898481801 632508713 /nfs/dbraw/zinc/50/87/13/632508713.db2.gz PTKYDHRDKIIBID-YPMHNXCESA-N 0 3 263.337 2.214 20 10 CECDHN CC[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813885316 632751632 /nfs/dbraw/zinc/75/16/32/632751632.db2.gz SRANUMIRXQFOQA-ATZCPNFKSA-N 0 3 253.317 2.440 20 10 CECDHN CCOc1ccc(C[NH2+]C2(COC)CCOCC2)c([O-])c1 ZINC000814302104 632822742 /nfs/dbraw/zinc/82/27/42/632822742.db2.gz OSXAYMYAYUHOJK-UHFFFAOYSA-N 0 3 295.379 2.076 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817413143 633651775 /nfs/dbraw/zinc/65/17/75/633651775.db2.gz USJZTTXQUZTGMT-CHWSQXEVSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817413143 633651780 /nfs/dbraw/zinc/65/17/80/633651780.db2.gz USJZTTXQUZTGMT-CHWSQXEVSA-N 0 3 279.380 2.241 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@H](O)CC[C@H]2C)c1O ZINC000817414374 633653527 /nfs/dbraw/zinc/65/35/27/633653527.db2.gz IULUHMNHFIZVLI-BXKDBHETSA-N 0 3 285.771 2.399 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000817587562 633702832 /nfs/dbraw/zinc/70/28/32/633702832.db2.gz YREDAIDAPLDKSX-LBPRGKRZSA-N 0 3 276.380 2.315 20 10 CECDHN CCCN1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000817589903 633703341 /nfs/dbraw/zinc/70/33/41/633703341.db2.gz RELKNDQVEJPLDC-JSGCOSHPSA-N 0 3 288.391 2.228 20 10 CECDHN C[C@H](C[NH3+])N[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817966724 633810148 /nfs/dbraw/zinc/81/01/48/633810148.db2.gz UKCZTBLQOQDLFS-RQJHMYQMSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)CN)c1ccc(Br)cc1[O-] ZINC000817970181 633813422 /nfs/dbraw/zinc/81/34/22/633813422.db2.gz NLPVHLNKXCOHLC-JGVFFNPUSA-N 0 3 273.174 2.153 20 10 CECDHN C[C@@H](NC[C@H](C)[NH3+])c1cc(Br)cc(F)c1[O-] ZINC000817971296 633813476 /nfs/dbraw/zinc/81/34/76/633813476.db2.gz CATFFRHOYNMZMH-NKWVEPMBSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972655 633816065 /nfs/dbraw/zinc/81/60/65/633816065.db2.gz ZHJVJGDTMADSBO-FXPVBKGRSA-N 0 3 270.323 2.462 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000903342996 635069989 /nfs/dbraw/zinc/06/99/89/635069989.db2.gz LVQTXLRGEYTREO-LSDHHAIUSA-N 0 3 292.423 2.462 20 10 CECDHN C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(F)ccc1[O-] ZINC000903421513 635122743 /nfs/dbraw/zinc/12/27/43/635122743.db2.gz VRLWYMHKBLQKJC-SNVBAGLBSA-N 0 3 291.326 2.109 20 10 CECDHN COc1ccc(O)c(CNCc2cc(C3CC3)nn2C)c1 ZINC000823872147 635297573 /nfs/dbraw/zinc/29/75/73/635297573.db2.gz ZXNQZMPKUDTMFW-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN COc1nccc(CNCCCSc2nccs2)n1 ZINC000823937625 635309272 /nfs/dbraw/zinc/30/92/72/635309272.db2.gz DXPHFJSYAZMVLX-UHFFFAOYSA-N 0 3 296.421 2.214 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@]23CC[NH2+]C3)c1[O-] ZINC000903864453 635313795 /nfs/dbraw/zinc/31/37/95/635313795.db2.gz VCJRNQADCHAGNN-INIZCTEOSA-N 0 3 292.354 2.062 20 10 CECDHN COC[C@@](C)(O)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824559432 635449960 /nfs/dbraw/zinc/44/99/60/635449960.db2.gz UFBDDVUZOOWGLP-AWEZNQCLSA-N 0 3 287.787 2.231 20 10 CECDHN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824708875 635481625 /nfs/dbraw/zinc/48/16/25/635481625.db2.gz KZFHZAWRZCCVIX-RISCZKNCSA-N 0 3 299.798 2.495 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845094 635509104 /nfs/dbraw/zinc/50/91/04/635509104.db2.gz HOMWBWCCNVISTP-ZBFHGGJFSA-N 0 3 261.365 2.279 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000827289799 636281907 /nfs/dbraw/zinc/28/19/07/636281907.db2.gz DCDJLRPROZBNPK-PIXXYMSQSA-N 0 3 272.392 2.223 20 10 CECDHN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000827951087 636467960 /nfs/dbraw/zinc/46/79/60/636467960.db2.gz WFUCQPPEJHVELV-OAHLLOKOSA-N 0 3 291.322 2.363 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN(C(=O)C3CC3)CC2)c([O-])c1 ZINC000876521085 650301379 /nfs/dbraw/zinc/30/13/79/650301379.db2.gz GZQIFWUZZCVNKO-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000834578565 637877188 /nfs/dbraw/zinc/87/71/88/637877188.db2.gz UWSVPAVFYQBSEI-JSGCOSHPSA-N 0 3 277.364 2.022 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834597491 637886311 /nfs/dbraw/zinc/88/63/11/637886311.db2.gz GGLLTAGXFZHHQO-RYUDHWBXSA-N 0 3 267.394 2.083 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCO[C@]3(CCOC3)C1)CC2 ZINC000834697450 637922104 /nfs/dbraw/zinc/92/21/04/637922104.db2.gz LHVOACUKANUMHX-JJRVBVJISA-N 0 3 289.375 2.307 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000834909433 637984903 /nfs/dbraw/zinc/98/49/03/637984903.db2.gz RLWKKRBDSSANQA-ZYSBLVPFSA-N 0 3 292.354 2.338 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CCCOCC2)cc1 ZINC000835026446 638029618 /nfs/dbraw/zinc/02/96/18/638029618.db2.gz WOJNDLHXTLYVAP-HYXAFXHYSA-N 0 3 260.381 2.488 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@@H](CO)CC(F)F)cc1 ZINC000835047980 638038886 /nfs/dbraw/zinc/03/88/86/638038886.db2.gz DLNQMZWRWNQIEZ-ITDFMYJTSA-N 0 3 284.350 2.372 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([O-])c1 ZINC000876796662 650437056 /nfs/dbraw/zinc/43/70/56/650437056.db2.gz HPORZRNHJOESFF-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c([O-])c1 ZINC000876796662 650437057 /nfs/dbraw/zinc/43/70/57/650437057.db2.gz HPORZRNHJOESFF-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN CC[C@@H]([NH2+]C[C@@]1(CCO)CCOC1)c1ccccc1[O-] ZINC000156368458 639346244 /nfs/dbraw/zinc/34/62/44/639346244.db2.gz YOOBBVQPEKGPGU-GDBMZVCRSA-N 0 3 279.380 2.222 20 10 CECDHN CC[S@](=O)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000168765934 639581411 /nfs/dbraw/zinc/58/14/11/639581411.db2.gz QPJAIIJCWRGOGF-APPDUMDISA-N 0 3 255.383 2.120 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CNC[C@@H]1CCC[NH2+]C1 ZINC000841033168 639625439 /nfs/dbraw/zinc/62/54/39/639625439.db2.gz OCXFELBSGAJXRS-SECBINFHSA-N 0 3 272.751 2.274 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000228673576 639651444 /nfs/dbraw/zinc/65/14/44/639651444.db2.gz PQFOIKVLPRPVEL-LBPRGKRZSA-N 0 3 296.798 2.381 20 10 CECDHN CC(C)NC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000228929777 639665910 /nfs/dbraw/zinc/66/59/10/639665910.db2.gz ILNVPJBTZVLAEC-OLZOCXBDSA-N 0 3 277.412 2.316 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(CC(F)F)C1)CC2 ZINC000841762525 639859924 /nfs/dbraw/zinc/85/99/24/639859924.db2.gz PUPZDXMEUHUKPP-RYUDHWBXSA-N 0 3 282.334 2.309 20 10 CECDHN C[C@H]([NH3+])[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057673 640260390 /nfs/dbraw/zinc/26/03/90/640260390.db2.gz QNWRQSALDOKRMO-IUCAKERBSA-N 0 3 272.751 2.354 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(Cl)c1 ZINC000843120584 640289560 /nfs/dbraw/zinc/28/95/60/640289560.db2.gz QMWCCEPKDJFZQE-BXKDBHETSA-N 0 3 254.761 2.133 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CN(C3CC3)C[C@H]2C)c([O-])c1 ZINC000877095207 650569951 /nfs/dbraw/zinc/56/99/51/650569951.db2.gz PPRXNXLFSDBKMB-DOMZBBRYSA-N 0 3 260.381 2.273 20 10 CECDHN CC(=O)c1cc(F)cc(CN(C2CC2)[C@@H]2CC[NH2+]C2)c1[O-] ZINC000843361626 640404445 /nfs/dbraw/zinc/40/44/45/640404445.db2.gz MRUMVUBSZUUGBR-CQSZACIVSA-N 0 3 292.354 2.060 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846205517 641220941 /nfs/dbraw/zinc/22/09/41/641220941.db2.gz HTCFKGFJSBZDRU-VXGBXAGGSA-N 0 3 274.364 2.054 20 10 CECDHN CN(C)C1(C(=O)NCc2cc(Cl)ccc2O)CCC1 ZINC000846474711 641311996 /nfs/dbraw/zinc/31/19/96/641311996.db2.gz AMWXQAGEFBLFQB-UHFFFAOYSA-N 0 3 282.771 2.146 20 10 CECDHN Cc1ccc(O)c(CN2CCN(Cc3cccnc3)CC2)c1 ZINC000183666621 641777627 /nfs/dbraw/zinc/77/76/27/641777627.db2.gz XKIDJSWWZRKOBM-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877401159 650706749 /nfs/dbraw/zinc/70/67/49/650706749.db2.gz ZFSLQUXZSACEHY-CYBMUJFWSA-N 0 3 278.352 2.021 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185330444 641965937 /nfs/dbraw/zinc/96/59/37/641965937.db2.gz ATHOBWJJPVMVBB-OCCSQVGLSA-N 0 3 296.386 2.293 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185330161 641966273 /nfs/dbraw/zinc/96/62/73/641966273.db2.gz PZZLYERLCPPSJP-LSDHHAIUSA-N 0 3 292.423 2.462 20 10 CECDHN C[NH2+]CCCNCc1cc(Cl)cc(Cl)c1[O-] ZINC000083457848 642072270 /nfs/dbraw/zinc/07/22/70/642072270.db2.gz XZHFSYMTBVPHSV-UHFFFAOYSA-N 0 3 263.168 2.398 20 10 CECDHN CCc1cccc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000848908383 642184192 /nfs/dbraw/zinc/18/41/92/642184192.db2.gz SHBWRCFMGLZWBO-SUMWQHHRSA-N 0 3 291.391 2.334 20 10 CECDHN CCc1cccc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000848911953 642186585 /nfs/dbraw/zinc/18/65/85/642186585.db2.gz ZVHMURBJKCDFMA-KRWDZBQOSA-N 0 3 291.391 2.336 20 10 CECDHN Cc1cccc(O)c1CN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000877480735 650741692 /nfs/dbraw/zinc/74/16/92/650741692.db2.gz GJLZRNPNXWEPRG-CYBMUJFWSA-N 0 3 297.420 2.100 20 10 CECDHN Cc1cccc(O)c1CN1CCC[C@H](S(C)(=O)=O)CC1 ZINC000877499930 650752535 /nfs/dbraw/zinc/75/25/35/650752535.db2.gz MIIJJMBUCOBOPV-ZDUSSCGKSA-N 0 3 297.420 2.100 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000186456409 642570663 /nfs/dbraw/zinc/57/06/63/642570663.db2.gz NRAYLTUKMVDDST-CMPLNLGQSA-N 0 3 296.342 2.413 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877530326 650770384 /nfs/dbraw/zinc/77/03/84/650770384.db2.gz SHHJZONRMVCSGY-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877530326 650770388 /nfs/dbraw/zinc/77/03/88/650770388.db2.gz SHHJZONRMVCSGY-HNNXBMFYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000877530983 650770614 /nfs/dbraw/zinc/77/06/14/650770614.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c([O-])c1 ZINC000877530983 650770615 /nfs/dbraw/zinc/77/06/15/650770615.db2.gz HFDWRDIIQHJVIZ-HIFRSBDPSA-N 0 3 262.397 2.473 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)CC1CC1)CC2 ZINC000850546422 642748627 /nfs/dbraw/zinc/74/86/27/642748627.db2.gz ZPSCJIIKKAXUTB-OCCSQVGLSA-N 0 3 261.365 2.378 20 10 CECDHN C[C@](O)(CNCc1ccc2c(c1)CCCO2)C(F)(F)F ZINC000921939612 642797561 /nfs/dbraw/zinc/79/75/61/642797561.db2.gz ULILMYUOLQLJNA-ZDUSSCGKSA-N 0 3 289.297 2.415 20 10 CECDHN CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922534063 643110297 /nfs/dbraw/zinc/11/02/97/643110297.db2.gz UEVMIGDAVCPCMF-LLVKDONJSA-N 0 3 297.374 2.059 20 10 CECDHN CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1c([O-])cccc1F ZINC000922534063 643110299 /nfs/dbraw/zinc/11/02/99/643110299.db2.gz UEVMIGDAVCPCMF-LLVKDONJSA-N 0 3 297.374 2.059 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000853247990 643721415 /nfs/dbraw/zinc/72/14/15/643721415.db2.gz IWXAFRQMJVETNA-OBMMGQTPSA-N 0 3 277.387 2.137 20 10 CECDHN CCOc1ccc(C[NH+]2CC3(C2)CCOCC3)c([O-])c1 ZINC000839141731 644172780 /nfs/dbraw/zinc/17/27/80/644172780.db2.gz XPQHHYBPFFSEMR-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855287410 644295530 /nfs/dbraw/zinc/29/55/30/644295530.db2.gz BYLMAKPMGJUKSG-NSHDSACASA-N 0 3 292.379 2.009 20 10 CECDHN Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855287410 644295532 /nfs/dbraw/zinc/29/55/32/644295532.db2.gz BYLMAKPMGJUKSG-NSHDSACASA-N 0 3 292.379 2.009 20 10 CECDHN COC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756577229 644670167 /nfs/dbraw/zinc/67/01/67/644670167.db2.gz QWVCETGBTNQRQR-ZVWUFJHRSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC2(CO)CC2)c2c1c(F)ccc2[O-] ZINC000756638150 644677110 /nfs/dbraw/zinc/67/71/10/644677110.db2.gz RSXCFCWHAIGNDF-ONGXEEELSA-N 0 3 265.328 2.442 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756731402 644687380 /nfs/dbraw/zinc/68/73/80/644687380.db2.gz ABWIPSRITWDOPL-QWRGUYRKSA-N 0 3 271.332 2.233 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756780234 644691561 /nfs/dbraw/zinc/69/15/61/644691561.db2.gz XSJQCOYRFFDSGM-CKYFFXLPSA-N 0 3 283.343 2.067 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2[O-] ZINC000756830455 644696460 /nfs/dbraw/zinc/69/64/60/644696460.db2.gz QIGFVYMNBYJWOM-PWSUYJOCSA-N 0 3 290.342 2.351 20 10 CECDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1CO ZINC000857061203 644805997 /nfs/dbraw/zinc/80/59/97/644805997.db2.gz LXPZOBDMRFAHNT-JSGCOSHPSA-N 0 3 280.387 2.342 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000758504008 644935828 /nfs/dbraw/zinc/93/58/28/644935828.db2.gz GVBZAWKFURDFKP-CYBMUJFWSA-N 0 3 287.363 2.161 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1cncn1C ZINC000115629144 644969663 /nfs/dbraw/zinc/96/96/63/644969663.db2.gz TXWYWCALHIJNTO-UHFFFAOYSA-N 0 3 258.369 2.084 20 10 CECDHN CN(C)c1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1 ZINC000858281578 645106219 /nfs/dbraw/zinc/10/62/19/645106219.db2.gz UXQVNIFIIYBBAN-KRWDZBQOSA-N 0 3 295.386 2.406 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000760884210 645206611 /nfs/dbraw/zinc/20/66/11/645206611.db2.gz FIXNYMICFTWSDV-NJZAAPMLSA-N 0 3 265.353 2.237 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000763482283 645549640 /nfs/dbraw/zinc/54/96/40/645549640.db2.gz YJIHFSDWIZIKHC-CYBMUJFWSA-N 0 3 273.307 2.494 20 10 CECDHN C[C@@H](NCc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766531593 645899436 /nfs/dbraw/zinc/89/94/36/645899436.db2.gz PGKGHBBOEYHULA-GFCCVEGCSA-N 0 3 298.390 2.097 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000768257560 646102183 /nfs/dbraw/zinc/10/21/83/646102183.db2.gz MPLTVJGNLOREAR-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000768257560 646102187 /nfs/dbraw/zinc/10/21/87/646102187.db2.gz MPLTVJGNLOREAR-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000768465196 646128035 /nfs/dbraw/zinc/12/80/35/646128035.db2.gz YNNSFAYHGUBEGW-BFVZDQMLSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000768465196 646128052 /nfs/dbraw/zinc/12/80/52/646128052.db2.gz YNNSFAYHGUBEGW-BFVZDQMLSA-N 0 3 263.337 2.048 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CCOCC ZINC000769728423 646308114 /nfs/dbraw/zinc/30/81/14/646308114.db2.gz LLWSKVFTLGGIQS-OAHLLOKOSA-N 0 3 281.396 2.392 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CCOCC ZINC000769728423 646308118 /nfs/dbraw/zinc/30/81/18/646308118.db2.gz LLWSKVFTLGGIQS-OAHLLOKOSA-N 0 3 281.396 2.392 20 10 CECDHN CN(C)c1ccc(CN2CCSC[C@@H]2CCO)cc1 ZINC000770306359 646378075 /nfs/dbraw/zinc/37/80/75/646378075.db2.gz OWCBQNBJBKOWNT-HNNXBMFYSA-N 0 3 280.437 2.052 20 10 CECDHN CC[C@H](NC[C@@H](C)S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000773101146 646706565 /nfs/dbraw/zinc/70/65/65/646706565.db2.gz ANZKKUGLAARCRC-DOMZBBRYSA-N 0 3 298.452 2.226 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cc(F)ccc1[O-] ZINC000779067753 647284590 /nfs/dbraw/zinc/28/45/90/647284590.db2.gz ZOEQBHSIFMLRNV-CMPLNLGQSA-N 0 3 275.327 2.393 20 10 CECDHN CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000780944333 647483590 /nfs/dbraw/zinc/48/35/90/647483590.db2.gz LZRXTXTZZBDZPA-LBPRGKRZSA-N 0 3 292.379 2.010 20 10 CECDHN COc1cccc(CN2CCOCC3(CC3)C2)c1O ZINC000783598913 647735320 /nfs/dbraw/zinc/73/53/20/647735320.db2.gz FRFABMZSZYTQDV-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000784667831 647873415 /nfs/dbraw/zinc/87/34/15/647873415.db2.gz MDOWUUKXESGVFV-ABAIWWIYSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000784667831 647873418 /nfs/dbraw/zinc/87/34/18/647873418.db2.gz MDOWUUKXESGVFV-ABAIWWIYSA-N 0 3 265.353 2.258 20 10 CECDHN CCCCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647972 651334973 /nfs/dbraw/zinc/33/49/73/651334973.db2.gz TYLCWRQPORWINB-GFCCVEGCSA-N 0 3 264.369 2.349 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O)c1ccccc1[O-] ZINC000879649660 651335201 /nfs/dbraw/zinc/33/52/01/651335201.db2.gz BIDHWXKDJJIONL-CTHBEMJXSA-N 0 3 288.391 2.490 20 10 CECDHN C[C@@H]([NH2+]CCc1nnn(C(C)(C)C)n1)c1ccccc1[O-] ZINC000879650098 651335747 /nfs/dbraw/zinc/33/57/47/651335747.db2.gz IPOOQPJPKQPNDL-LLVKDONJSA-N 0 3 289.383 2.027 20 10 CECDHN Cc1cc(Cn2cc([C@@H](N)C(C)C)nn2)ccc1N(C)C ZINC000881377966 651701971 /nfs/dbraw/zinc/70/19/71/651701971.db2.gz ZYMYUWUVPHGGKX-INIZCTEOSA-N 0 3 287.411 2.357 20 10 CECDHN Cc1cc(Cn2cc([C@H](N)C(C)C)nn2)ccc1N(C)C ZINC000881377967 651702058 /nfs/dbraw/zinc/70/20/58/651702058.db2.gz ZYMYUWUVPHGGKX-MRXNPFEDSA-N 0 3 287.411 2.357 20 10 CECDHN CC[C@H]([NH2+]CC[S@](=O)CC)c1ccccc1[O-] ZINC000132529891 652530621 /nfs/dbraw/zinc/53/06/21/652530621.db2.gz VTYKOFMQFDILNV-SJCJKPOMSA-N 0 3 255.383 2.202 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1cnn2ccccc12 ZINC000134397945 652832598 /nfs/dbraw/zinc/83/25/98/652832598.db2.gz DQTYWXZHRVOSGX-UHFFFAOYSA-N 0 3 253.305 2.330 20 10 CECDHN CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1ccccc1[O-] ZINC000160140991 806856549 /nfs/dbraw/zinc/85/65/49/806856549.db2.gz GFXSMNUTQTYWTF-UKRRQHHQSA-N 0 3 265.353 2.238 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000724814321 803489555 /nfs/dbraw/zinc/48/95/55/803489555.db2.gz NAKPKNHEBWDAEK-IUODEOHRSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000724814321 803489557 /nfs/dbraw/zinc/48/95/57/803489557.db2.gz NAKPKNHEBWDAEK-IUODEOHRSA-N 0 3 263.337 2.012 20 10 CECDHN COC[C@H](CC[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000694239157 803522026 /nfs/dbraw/zinc/52/20/26/803522026.db2.gz XPANRNQTVGDLIS-RYUDHWBXSA-N 0 3 253.342 2.094 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694515737 803560275 /nfs/dbraw/zinc/56/02/75/803560275.db2.gz QUEGGZPVRODAIP-VXGBXAGGSA-N 0 3 283.393 2.010 20 10 CECDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(N(C)C)cc1Cl ZINC001140921641 803606418 /nfs/dbraw/zinc/60/64/18/803606418.db2.gz LJRNDDXAVSPIFZ-MFKMUULPSA-N 0 3 268.788 2.361 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CO[C@H](C)C2)c1[O-] ZINC000402008576 804641956 /nfs/dbraw/zinc/64/19/56/804641956.db2.gz RIYOXBRVZOEFBJ-LDYMZIIASA-N 0 3 271.744 2.321 20 10 CECDHN CCCN1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001118995634 815062843 /nfs/dbraw/zinc/06/28/43/815062843.db2.gz INKKJAQQKBVWLA-HNNXBMFYSA-N 0 3 288.391 2.499 20 10 CECDHN CCOC(=O)C1(F)CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137837732 809782489 /nfs/dbraw/zinc/78/24/89/809782489.db2.gz SFDBYIFJJANYNJ-UHFFFAOYSA-N 0 3 299.317 2.399 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000708480835 809929161 /nfs/dbraw/zinc/92/91/61/809929161.db2.gz MMVBBCIELRXWNJ-OLZOCXBDSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000708480835 809929164 /nfs/dbraw/zinc/92/91/64/809929164.db2.gz MMVBBCIELRXWNJ-OLZOCXBDSA-N 0 3 282.334 2.387 20 10 CECDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])CO1 ZINC000711220638 810050232 /nfs/dbraw/zinc/05/02/32/810050232.db2.gz UKTNMKBOMIAIQA-NEPJUHHUSA-N 0 3 251.326 2.058 20 10 CECDHN COC(=O)C1(C)CCC([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001168763999 810164077 /nfs/dbraw/zinc/16/40/77/810164077.db2.gz JYMAFTRPINDNNM-UHFFFAOYSA-N 0 3 293.363 2.309 20 10 CECDHN Cn1ccc(-c2cncc(CN3CCCC3)c2)cc1=O ZINC001240996338 810910840 /nfs/dbraw/zinc/91/08/40/810910840.db2.gz VJMHEONTPMSMIT-UHFFFAOYSA-N 0 3 269.348 2.043 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1[O-] ZINC001168982091 811309617 /nfs/dbraw/zinc/30/96/17/811309617.db2.gz IKVJRLGUQSKPPG-WOPDTQHZSA-N 0 3 264.325 2.488 20 10 CECDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CCO1 ZINC001170176530 812323862 /nfs/dbraw/zinc/32/38/62/812323862.db2.gz YALKFPDCCZFAAW-DGCLKSJQSA-N 0 3 251.326 2.145 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)O ZINC000386742854 813188908 /nfs/dbraw/zinc/18/89/08/813188908.db2.gz YVRSUHPZBSMSIU-KCJUWKMLSA-N 0 3 273.760 2.303 20 10 CECDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CNCc2ccccc21 ZINC000387939195 813226169 /nfs/dbraw/zinc/22/61/69/813226169.db2.gz CVFUOCIPHFVCQU-MRXNPFEDSA-N 0 3 296.370 2.238 20 10 CECDHN C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Br)ccc1[O-] ZINC000390594164 813267026 /nfs/dbraw/zinc/26/70/26/813267026.db2.gz TYLJKEONMWQSFY-KWQFWETISA-N 0 3 285.185 2.076 20 10 CECDHN CC(C)[NH+]1CCC(N(C)C(=O)c2cccc(O)c2[O-])CC1 ZINC001136056626 813595752 /nfs/dbraw/zinc/59/57/52/813595752.db2.gz VLGBOKPSZDIONH-UHFFFAOYSA-N 0 3 292.379 2.043 20 10 CECDHN COCCN(CCOC)Cc1ccc2c(c1)CCCN2C ZINC001138354856 815774200 /nfs/dbraw/zinc/77/42/00/815774200.db2.gz WWSUFFWKIDUQMM-UHFFFAOYSA-N 0 3 292.423 2.164 20 10 CECDHN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140056404 816179494 /nfs/dbraw/zinc/17/94/94/816179494.db2.gz VWLYPTIJRCPVEL-GWCFXTLKSA-N 0 3 263.312 2.332 20 10 CECDHN O=C1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140056404 816179498 /nfs/dbraw/zinc/17/94/98/816179498.db2.gz VWLYPTIJRCPVEL-GWCFXTLKSA-N 0 3 263.312 2.332 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140058094 816181312 /nfs/dbraw/zinc/18/13/12/816181312.db2.gz SNKPMVFNJVSFGP-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140058094 816181317 /nfs/dbraw/zinc/18/13/17/816181317.db2.gz SNKPMVFNJVSFGP-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001140952094 816423333 /nfs/dbraw/zinc/42/33/33/816423333.db2.gz DYBWMJMYDAOBMN-QGZVFWFLSA-N 0 3 288.391 2.287 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@]23CC(=O)N(C)C3)c([O-])c1 ZINC001140952094 816423338 /nfs/dbraw/zinc/42/33/38/816423338.db2.gz DYBWMJMYDAOBMN-QGZVFWFLSA-N 0 3 288.391 2.287 20 10 CECDHN Cc1nnc(CC[NH2+][C@H]2CCc3cccc([O-])c32)s1 ZINC000297470143 282313418 /nfs/dbraw/zinc/31/34/18/282313418.db2.gz YMYZLFXNSRLVMI-NSHDSACASA-N 0 3 275.377 2.372 20 10 CECDHN Cc1nnsc1CN[C@H]1CCc2cccc(O)c21 ZINC000297424936 282374172 /nfs/dbraw/zinc/37/41/72/282374172.db2.gz UXJTVGGXRBGMJP-JTQLQIEISA-N 0 3 261.350 2.329 20 10 CECDHN Oc1ccccc1CN1CCN(c2ccccn2)CC1 ZINC000062183915 362713202 /nfs/dbraw/zinc/71/32/02/362713202.db2.gz IXXREPDAKPCIFM-UHFFFAOYSA-N 0 3 269.348 2.109 20 10 CECDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2[O-])C1 ZINC000000245139 361151412 /nfs/dbraw/zinc/15/14/12/361151412.db2.gz BGTJGEQBHLWNGX-DZGCQCFKSA-N 0 3 296.370 2.173 20 10 CECDHN O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccccc2[O-])C1 ZINC000000245139 361151416 /nfs/dbraw/zinc/15/14/16/361151416.db2.gz BGTJGEQBHLWNGX-DZGCQCFKSA-N 0 3 296.370 2.173 20 10 CECDHN COCC1CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000156034834 366825877 /nfs/dbraw/zinc/82/58/77/366825877.db2.gz OSGBEBYGUNLWRZ-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CN(C)c1ccc(CN2CCC(c3nncn3C)CC2)cc1 ZINC000091794729 364072535 /nfs/dbraw/zinc/07/25/35/364072535.db2.gz DZXMTLSYUKSMOS-UHFFFAOYSA-N 0 3 299.422 2.261 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3cccc(C)c3O)[C@@H]2C1 ZINC000245871581 370882661 /nfs/dbraw/zinc/88/26/61/370882661.db2.gz RUESITPTPINVBL-BZUAXINKSA-N 0 3 291.391 2.469 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000180195643 368371304 /nfs/dbraw/zinc/37/13/04/368371304.db2.gz UOHHTYXRPGCUIU-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000180195643 368371312 /nfs/dbraw/zinc/37/13/12/368371312.db2.gz UOHHTYXRPGCUIU-OAHLLOKOSA-N 0 3 265.353 2.138 20 10 CECDHN COCC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180078990 368366303 /nfs/dbraw/zinc/36/63/03/368366303.db2.gz VCOATTXKQMGODU-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN C[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-])N1CCOCC1 ZINC000185376515 368799795 /nfs/dbraw/zinc/79/97/95/368799795.db2.gz YGBFPSJMJKAGQU-RWMBFGLXSA-N 0 3 296.386 2.291 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000185376535 368800008 /nfs/dbraw/zinc/80/00/08/368800008.db2.gz YGBFPSJMJKAGQU-YNEHKIRRSA-N 0 3 296.386 2.291 20 10 CECDHN Cc1noc(CC[NH2+][C@@H](C)c2ccc(C)cc2[O-])n1 ZINC000185972534 368895957 /nfs/dbraw/zinc/89/59/57/368895957.db2.gz CXRQQQUSXYASSK-JTQLQIEISA-N 0 3 261.325 2.285 20 10 CECDHN CCOCCOCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000189237047 369481770 /nfs/dbraw/zinc/48/17/70/369481770.db2.gz TZHIDIRWEXUTJB-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN CCOCCOCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000189237047 369481775 /nfs/dbraw/zinc/48/17/75/369481775.db2.gz TZHIDIRWEXUTJB-UHFFFAOYSA-N 0 3 281.396 2.494 20 10 CECDHN CCOCc1cc(CN[C@H]2C[C@H](O)C2(C)C)ccc1OC ZINC000189328143 369498515 /nfs/dbraw/zinc/49/85/15/369498515.db2.gz NCCGSAJJAKZNGH-HOTGVXAUSA-N 0 3 293.407 2.481 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000189341995 369501209 /nfs/dbraw/zinc/50/12/09/369501209.db2.gz SXURMZXJZGQVJH-WOPDTQHZSA-N 0 3 265.353 2.212 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000189346590 369501537 /nfs/dbraw/zinc/50/15/37/369501537.db2.gz YXXVVGSRVMLFET-CABCVRRESA-N 0 3 279.380 2.430 20 10 CECDHN COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000191673731 369732338 /nfs/dbraw/zinc/73/23/38/369732338.db2.gz WCHMKTPZKPUJMS-IVMMDQJWSA-N 0 3 289.375 2.474 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1OC ZINC000249132453 371298896 /nfs/dbraw/zinc/29/88/96/371298896.db2.gz DGIKIDRBKCJNIE-SCRDCRAPSA-N 0 3 293.363 2.067 20 10 CECDHN COc1cccc(C[N@H+](CCO)C2CCCC2)c1[O-] ZINC000270978244 373045376 /nfs/dbraw/zinc/04/53/76/373045376.db2.gz CAYQSTVDIXBAMQ-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc(C[N@@H+](CCO)C2CCCC2)c1[O-] ZINC000270978244 373045387 /nfs/dbraw/zinc/04/53/87/373045387.db2.gz CAYQSTVDIXBAMQ-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC(C)C)cc1OC ZINC000271121034 373130588 /nfs/dbraw/zinc/13/05/88/373130588.db2.gz XWVQLYSRUHQQOM-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC(C)C)cc1OC ZINC000271121034 373130593 /nfs/dbraw/zinc/13/05/93/373130593.db2.gz XWVQLYSRUHQQOM-UHFFFAOYSA-N 0 3 253.342 2.497 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN([C@H](C)CO)CC1 ZINC000367306775 373147557 /nfs/dbraw/zinc/14/75/57/373147557.db2.gz AMPCXIISNYKRNS-ZBFHGGJFSA-N 0 3 292.423 2.232 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN([C@H](C)CO)CC1 ZINC000367306775 373147559 /nfs/dbraw/zinc/14/75/59/373147559.db2.gz AMPCXIISNYKRNS-ZBFHGGJFSA-N 0 3 292.423 2.232 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000271194163 373174893 /nfs/dbraw/zinc/17/48/93/373174893.db2.gz HICVXOAMHWCAET-HNNXBMFYSA-N 0 3 275.323 2.225 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](OC)C2)c1 ZINC000271208518 373181920 /nfs/dbraw/zinc/18/19/20/373181920.db2.gz XGDOLRAGCGZXBK-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000271208518 373181922 /nfs/dbraw/zinc/18/19/22/373181922.db2.gz XGDOLRAGCGZXBK-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@H](OC)C2)c1 ZINC000271208518 373181927 /nfs/dbraw/zinc/18/19/27/373181927.db2.gz XGDOLRAGCGZXBK-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000367785882 373188148 /nfs/dbraw/zinc/18/81/48/373188148.db2.gz XEPVDVDTWKCWMC-OLZOCXBDSA-N 0 3 286.379 2.055 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccccc1[O-] ZINC000367785883 373188441 /nfs/dbraw/zinc/18/84/41/373188441.db2.gz XEPVDVDTWKCWMC-QWHCGFSZSA-N 0 3 286.379 2.055 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC(C)(OC)CC2)cc1OC ZINC000271630458 373198573 /nfs/dbraw/zinc/19/85/73/373198573.db2.gz OUBFDXMPGYQEKC-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc(O)c(CN2CCC(C)(OC)CC2)cc1OC ZINC000271630458 373198579 /nfs/dbraw/zinc/19/85/79/373198579.db2.gz OUBFDXMPGYQEKC-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCCSC2)cc1OC ZINC000271804221 373202836 /nfs/dbraw/zinc/20/28/36/373202836.db2.gz JMPZCQYAYOUKEX-NSHDSACASA-N 0 3 283.393 2.395 20 10 CECDHN COc1ccc([O-])c(C[N@H+](CCO)C2CCCC2)c1 ZINC000271841865 373204314 /nfs/dbraw/zinc/20/43/14/373204314.db2.gz TWINCQJULLJGKM-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](CCO)C2CCCC2)c1 ZINC000271841865 373204325 /nfs/dbraw/zinc/20/43/25/373204325.db2.gz TWINCQJULLJGKM-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000271872498 373204776 /nfs/dbraw/zinc/20/47/76/373204776.db2.gz NBDFVFCPWLSLBM-OAHLLOKOSA-N 0 3 283.368 2.050 20 10 CECDHN COC(=O)C1=C(C)O[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000272563469 373554244 /nfs/dbraw/zinc/55/42/44/373554244.db2.gz PXOOLEUNJZMEFK-CYBMUJFWSA-N 0 3 291.347 2.060 20 10 CECDHN COC(=O)C1=C(C)O[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000272563469 373554255 /nfs/dbraw/zinc/55/42/55/373554255.db2.gz PXOOLEUNJZMEFK-CYBMUJFWSA-N 0 3 291.347 2.060 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC[C@@H](COC)OC)cc1 ZINC000272642453 373596299 /nfs/dbraw/zinc/59/62/99/373596299.db2.gz CXSHJFBFPAHGRT-CJNGLKHVSA-N 0 3 280.412 2.455 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1cc(Cl)ccc1[O-] ZINC000273383861 373753033 /nfs/dbraw/zinc/75/30/33/373753033.db2.gz IVOFPZIJKWOLMX-YPMHNXCESA-N 0 3 298.814 2.153 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1C ZINC000273386967 373753655 /nfs/dbraw/zinc/75/36/55/373753655.db2.gz JSQKHBDSUITMIA-LBPRGKRZSA-N 0 3 276.380 2.186 20 10 CECDHN C[C@H]([NH2+]CC1(O)CCN(C)CC1)c1cc(Cl)ccc1[O-] ZINC000273366806 373753902 /nfs/dbraw/zinc/75/39/02/373753902.db2.gz BQNBIZULXPOOGV-NSHDSACASA-N 0 3 298.814 2.153 20 10 CECDHN COCCOCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273391995 373755580 /nfs/dbraw/zinc/75/55/80/373755580.db2.gz LAZDOULSUFWFMK-CYBMUJFWSA-N 0 3 267.369 2.323 20 10 CECDHN COc1ccc(O)c([C@H](C)NC[C@](C)(O)C(F)(F)F)c1 ZINC000273450705 373758234 /nfs/dbraw/zinc/75/82/34/373758234.db2.gz FYTNCGNWXBFCRK-UFBFGSQYSA-N 0 3 293.285 2.365 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273552440 373765550 /nfs/dbraw/zinc/76/55/50/373765550.db2.gz GDFJRVAODNKBNY-IINYFYTJSA-N 0 3 267.369 2.458 20 10 CECDHN COCCN(C)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273597420 373766531 /nfs/dbraw/zinc/76/65/31/373766531.db2.gz QZJGNQSJUFTJCV-AWEZNQCLSA-N 0 3 280.412 2.238 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccccc1[O-] ZINC000371684848 373947757 /nfs/dbraw/zinc/94/77/57/373947757.db2.gz HWDKZKIOBPISDL-CMPLNLGQSA-N 0 3 257.337 2.323 20 10 CECDHN Cc1nc(C2CC[NH+](Cc3cccc(F)c3[O-])CC2)n[nH]1 ZINC000371533476 373915273 /nfs/dbraw/zinc/91/52/73/373915273.db2.gz HHYIMLOWRNQFLB-UHFFFAOYSA-N 0 3 290.342 2.337 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)c([O-])c1 ZINC000282187416 375423158 /nfs/dbraw/zinc/42/31/58/375423158.db2.gz GAUHKKWQJCDNPA-VOJFVSQTSA-N 0 3 267.394 2.262 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000283963445 375788419 /nfs/dbraw/zinc/78/84/19/375788419.db2.gz FBXJAAGVYPNIAF-GXTWGEPZSA-N 0 3 297.420 2.258 20 10 CECDHN CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000285216169 375835639 /nfs/dbraw/zinc/83/56/39/375835639.db2.gz RMQJKMISFOPILS-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000285216169 375835646 /nfs/dbraw/zinc/83/56/46/375835646.db2.gz RMQJKMISFOPILS-CQSZACIVSA-N 0 3 276.380 2.273 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2COc3ccccc3[C@H]2O)c1 ZINC000288507094 376378566 /nfs/dbraw/zinc/37/85/66/376378566.db2.gz ILPRUTUVFDXGPK-WMLDXEAASA-N 0 3 285.343 2.285 20 10 CECDHN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000289203857 376389511 /nfs/dbraw/zinc/38/95/11/376389511.db2.gz BOAWTQJZWVJNOU-CQSZACIVSA-N 0 3 294.370 2.412 20 10 CECDHN CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000289203857 376389514 /nfs/dbraw/zinc/38/95/14/376389514.db2.gz BOAWTQJZWVJNOU-CQSZACIVSA-N 0 3 294.370 2.412 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H](C)CCCCO)cc1OC ZINC000294953448 378031460 /nfs/dbraw/zinc/03/14/60/378031460.db2.gz DERIQYMGWFMHOR-LLVKDONJSA-N 0 3 283.368 2.050 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000296272337 378472474 /nfs/dbraw/zinc/47/24/74/378472474.db2.gz DQQVTQRFWFTUMR-STQMWFEESA-N 0 3 262.353 2.020 20 10 CECDHN CC(C)(C[NH2+]Cc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000529682615 380184370 /nfs/dbraw/zinc/18/43/70/380184370.db2.gz VHMGCUQCOZFVGM-UHFFFAOYSA-N 0 3 294.370 2.270 20 10 CECDHN COCCOC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000093339653 394664775 /nfs/dbraw/zinc/66/47/75/394664775.db2.gz CPKRKMAKNCHBNI-UHFFFAOYSA-N 0 3 279.380 2.328 20 10 CECDHN Cc1cc(O)c(CNC[C@@](C)(O)C(F)(F)F)cc1C ZINC000270460569 394734670 /nfs/dbraw/zinc/73/46/70/394734670.db2.gz FNDSYJKUCPTQFV-GFCCVEGCSA-N 0 3 277.286 2.412 20 10 CECDHN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C(F)(F)F)cc1C ZINC000270460569 394734671 /nfs/dbraw/zinc/73/46/71/394734671.db2.gz FNDSYJKUCPTQFV-GFCCVEGCSA-N 0 3 277.286 2.412 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000364447159 394904067 /nfs/dbraw/zinc/90/40/67/394904067.db2.gz KIRPEVSTEUPTHE-GFCCVEGCSA-N 0 3 267.756 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000364447159 394904069 /nfs/dbraw/zinc/90/40/69/394904069.db2.gz KIRPEVSTEUPTHE-GFCCVEGCSA-N 0 3 267.756 2.311 20 10 CECDHN CC[C@@H](C)N1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000133821869 394955605 /nfs/dbraw/zinc/95/56/05/394955605.db2.gz HUVPOMRJNBDBQX-CYBMUJFWSA-N 0 3 278.396 2.317 20 10 CECDHN COc1ccc([C@H](O)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000134226123 394956322 /nfs/dbraw/zinc/95/63/22/394956322.db2.gz PXSFACZTKYFICQ-MRXNPFEDSA-N 0 3 273.332 2.224 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C1CCN(c2ncccn2)CC1 ZINC000374281323 395078926 /nfs/dbraw/zinc/07/89/26/395078926.db2.gz AQXSOLJIUOMSQM-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C1CCN(c2ncccn2)CC1 ZINC000374281323 395078927 /nfs/dbraw/zinc/07/89/27/395078927.db2.gz AQXSOLJIUOMSQM-UHFFFAOYSA-N 0 3 298.390 2.283 20 10 CECDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000376534869 395124168 /nfs/dbraw/zinc/12/41/68/395124168.db2.gz IQPNZIIKLHBNCH-LBPRGKRZSA-N 0 3 289.354 2.329 20 10 CECDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000376534869 395124171 /nfs/dbraw/zinc/12/41/71/395124171.db2.gz IQPNZIIKLHBNCH-LBPRGKRZSA-N 0 3 289.354 2.329 20 10 CECDHN COC(=O)[C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293342908 395229882 /nfs/dbraw/zinc/22/98/82/395229882.db2.gz DFLBNWKTGQHRPO-CQSZACIVSA-N 0 3 276.380 2.056 20 10 CECDHN COc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1[O-] ZINC000293051295 395215830 /nfs/dbraw/zinc/21/58/30/395215830.db2.gz ROFZXTVBLPTHPK-NHYWBVRUSA-N 0 3 265.353 2.042 20 10 CECDHN COCCN1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000183448878 395256621 /nfs/dbraw/zinc/25/66/21/395256621.db2.gz VBKKIGXBIHAZTI-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183523597 395259078 /nfs/dbraw/zinc/25/90/78/395259078.db2.gz UPOCURAGKFBPOV-OUJBWJOFSA-N 0 3 255.383 2.155 20 10 CECDHN CC(C)(C)OC(=O)NCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297877899 395349856 /nfs/dbraw/zinc/34/98/56/395349856.db2.gz UXLOFONYQVQFSF-LBPRGKRZSA-N 0 3 292.379 2.494 20 10 CECDHN COCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000297453365 292250205 /nfs/dbraw/zinc/25/02/05/292250205.db2.gz XGGIRYLYINILBW-AWEZNQCLSA-N 0 3 291.391 2.412 20 10 CECDHN CN(Cc1cccn1C)Cc1ccc(N2CCOCC2)cc1 ZINC000153303449 261076576 /nfs/dbraw/zinc/07/65/76/261076576.db2.gz SUMPRZMORHJSAB-UHFFFAOYSA-N 0 3 299.418 2.494 20 10 CECDHN C[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000154699169 261094181 /nfs/dbraw/zinc/09/41/81/261094181.db2.gz WGNIKLUYFOZAGH-CQSZACIVSA-N 0 3 289.423 2.195 20 10 CECDHN CC[C@H]([NH2+][C@H](C)Cn1cncn1)c1ccccc1[O-] ZINC000155435062 261102082 /nfs/dbraw/zinc/10/20/82/261102082.db2.gz FDHDLQSIZWWIDL-YPMHNXCESA-N 0 3 260.341 2.113 20 10 CECDHN CCOC(C)(C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000159157376 261179142 /nfs/dbraw/zinc/17/91/42/261179142.db2.gz BUFDLJMTRWMQFY-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300416028 261199555 /nfs/dbraw/zinc/19/95/55/261199555.db2.gz DNUTZQRRQBOVKY-KBPBESRZSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416028 261199558 /nfs/dbraw/zinc/19/95/58/261199558.db2.gz DNUTZQRRQBOVKY-KBPBESRZSA-N 0 3 264.344 2.248 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000185505274 262057906 /nfs/dbraw/zinc/05/79/06/262057906.db2.gz CFFYKTKPCBHKPE-HUUCEWRRSA-N 0 3 292.423 2.320 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185510828 262058108 /nfs/dbraw/zinc/05/81/08/262058108.db2.gz ASDMJINHUITFHY-COPLHBTASA-N 0 3 269.410 2.464 20 10 CECDHN CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186048788 262077044 /nfs/dbraw/zinc/07/70/44/262077044.db2.gz DXLLWGGYJQNATR-GWCFXTLKSA-N 0 3 280.343 2.191 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088366 262078979 /nfs/dbraw/zinc/07/89/79/262078979.db2.gz DJRSHICQWRIMAP-NEPJUHHUSA-N 0 3 274.364 2.115 20 10 CECDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000186109417 262079921 /nfs/dbraw/zinc/07/99/21/262079921.db2.gz LVNIOANKYQMDTD-STQMWFEESA-N 0 3 291.395 2.155 20 10 CECDHN C[C@H]([NH2+]CCCOCCO)c1cc2c(cc1[O-])CCCC2 ZINC000186514349 262096123 /nfs/dbraw/zinc/09/61/23/262096123.db2.gz XQNKZLGJGJBFDG-ZDUSSCGKSA-N 0 3 293.407 2.321 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141906 262302923 /nfs/dbraw/zinc/30/29/23/262302923.db2.gz TWXDGJBHYKEHIE-VXGBXAGGSA-N 0 3 264.369 2.146 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H](CO)SC)c1 ZINC000185511150 262305820 /nfs/dbraw/zinc/30/58/20/262305820.db2.gz RMNQWWXXRQMGQT-IMSIIYSGSA-N 0 3 285.409 2.164 20 10 CECDHN Cc1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)n(C)n1 ZINC000296581203 263193266 /nfs/dbraw/zinc/19/32/66/263193266.db2.gz WBCJTPPBICXDGC-ZDUSSCGKSA-N 0 3 257.337 2.211 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000188494583 264012629 /nfs/dbraw/zinc/01/26/29/264012629.db2.gz VNCAPQCYUJVBIB-NXEZZACHSA-N 0 3 268.332 2.049 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000294114731 265007290 /nfs/dbraw/zinc/00/72/90/265007290.db2.gz KGTVHSHGIAJMOB-CYBMUJFWSA-N 0 3 281.396 2.447 20 10 CECDHN COc1cccc(CN2CCC[C@H]3COC[C@H]32)c1O ZINC000369212018 267225983 /nfs/dbraw/zinc/22/59/83/267225983.db2.gz CDTUPTQQZSRRRC-QWHCGFSZSA-N 0 3 263.337 2.012 20 10 CECDHN CC(C)(O)C[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000189946724 277314424 /nfs/dbraw/zinc/31/44/24/277314424.db2.gz NMDKNLKJXOYFFK-UHFFFAOYSA-N 0 3 253.317 2.267 20 10 CECDHN CC(C)(O)C[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000189946724 277314425 /nfs/dbraw/zinc/31/44/25/277314425.db2.gz NMDKNLKJXOYFFK-UHFFFAOYSA-N 0 3 253.317 2.267 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@@H]12)c1ccccc1[O-] ZINC000367203196 290000418 /nfs/dbraw/zinc/00/04/18/290000418.db2.gz CHZYEBDIWKFSHM-YUTCNCBUSA-N 0 3 274.364 2.196 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c([O-])c1C ZINC000527959835 313220623 /nfs/dbraw/zinc/22/06/23/313220623.db2.gz ZIILHJPCHHQMQN-NWANDNLSSA-N 0 3 279.380 2.200 20 10 CECDHN CCOc1cccc(C[NH2+]C2(COC)CCC2)c1[O-] ZINC000283827702 328132814 /nfs/dbraw/zinc/13/28/14/328132814.db2.gz DUMALINXHFXFJA-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181697 327177449 /nfs/dbraw/zinc/17/74/49/327177449.db2.gz COCMTYZNVRRTET-OCCSQVGLSA-N 0 3 287.407 2.167 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[NH+]2CCC1CC2 ZINC000377632171 329022203 /nfs/dbraw/zinc/02/22/03/329022203.db2.gz VJNCFIPAQUCVOV-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2[O-])CC1(C)C ZINC000378443965 329050365 /nfs/dbraw/zinc/05/03/65/329050365.db2.gz ODVKICAPLIGYFP-CYBMUJFWSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC1(C)C ZINC000378443965 329050366 /nfs/dbraw/zinc/05/03/66/329050366.db2.gz ODVKICAPLIGYFP-CYBMUJFWSA-N 0 3 277.364 2.332 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000378489874 329052699 /nfs/dbraw/zinc/05/26/99/329052699.db2.gz CRHDMQJXFBNBFX-QGZVFWFLSA-N 0 3 287.334 2.455 20 10 CECDHN COCCC1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226615872 329262339 /nfs/dbraw/zinc/26/23/39/329262339.db2.gz DKGQHJPVISUKKH-UHFFFAOYSA-N 0 3 253.317 2.438 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CC[C@@H]1CCCOC1)OCO2 ZINC000527741090 330282730 /nfs/dbraw/zinc/28/27/30/330282730.db2.gz XXVBSTIJOKOBNL-NSHDSACASA-N 0 3 279.336 2.027 20 10 CECDHN Cc1ncccc1CNCc1cc2c(cc1O)OCO2 ZINC000527793453 330283698 /nfs/dbraw/zinc/28/36/98/330283698.db2.gz INIPCIWQYZCTJF-UHFFFAOYSA-N 0 3 272.304 2.114 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000226584869 333265462 /nfs/dbraw/zinc/26/54/62/333265462.db2.gz UFWVRASPCQNIPZ-KGLIPLIRSA-N 0 3 264.344 2.248 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1[O-] ZINC000295995770 334904856 /nfs/dbraw/zinc/90/48/56/334904856.db2.gz KNWPXLHBDMUFOW-HOSYDEDBSA-N 0 3 251.326 2.056 20 10 CECDHN CCOCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072952752 519910811 /nfs/dbraw/zinc/91/08/11/519910811.db2.gz YXMMQCPYXJWQGB-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN CCOCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000072952752 519910814 /nfs/dbraw/zinc/91/08/14/519910814.db2.gz YXMMQCPYXJWQGB-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN CCN(CC)c1ccc(CN[C@@]2(CCO)CCOC2)cc1 ZINC000278500622 520911473 /nfs/dbraw/zinc/91/14/73/520911473.db2.gz NVAGTUBFNUOXCP-KRWDZBQOSA-N 0 3 292.423 2.164 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296307949 520968806 /nfs/dbraw/zinc/96/88/06/520968806.db2.gz DXIZCHZQJLHJFG-STQMWFEESA-N 0 3 290.363 2.200 20 10 CECDHN CCOc1ccc(O)c(CN2CCN(CC)C[C@@H]2C)c1 ZINC000289577973 521142791 /nfs/dbraw/zinc/14/27/91/521142791.db2.gz JVQBDGBTSMGZLS-ZDUSSCGKSA-N 0 3 278.396 2.317 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289783523 521143701 /nfs/dbraw/zinc/14/37/01/521143701.db2.gz RUQXRNWNZPZFJD-UKRRQHHQSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289783523 521143707 /nfs/dbraw/zinc/14/37/07/521143707.db2.gz RUQXRNWNZPZFJD-UKRRQHHQSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000126642096 521345400 /nfs/dbraw/zinc/34/54/00/521345400.db2.gz QRFUTLMFIQRRRM-PBWFPOADSA-N 0 3 277.364 2.279 20 10 CECDHN CCOc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000126642096 521345409 /nfs/dbraw/zinc/34/54/09/521345409.db2.gz QRFUTLMFIQRRRM-PBWFPOADSA-N 0 3 277.364 2.279 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275862318 521346587 /nfs/dbraw/zinc/34/65/87/521346587.db2.gz JELGDTUHUAQCFB-AWEZNQCLSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000275862318 521346596 /nfs/dbraw/zinc/34/65/96/521346596.db2.gz JELGDTUHUAQCFB-AWEZNQCLSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[NH2+]CCC[C@H](C)O)c1[O-] ZINC000227959772 521361494 /nfs/dbraw/zinc/36/14/94/521361494.db2.gz QIGGKAFDIYPRIF-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN CCOC1CC(O)(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000278753150 521653247 /nfs/dbraw/zinc/65/32/47/521653247.db2.gz SFPADQAKCGVOEB-UHFFFAOYSA-N 0 3 299.798 2.374 20 10 CECDHN CCNC(=O)[C@@H](NCc1cc(OCC)ccc1O)C(C)C ZINC000292890002 521744515 /nfs/dbraw/zinc/74/45/15/521744515.db2.gz FTFJFINUYLKQLM-HNNXBMFYSA-N 0 3 294.395 2.041 20 10 CECDHN CCNC(=O)[C@@H]([NH2+]Cc1cc(OCC)ccc1[O-])C(C)C ZINC000292890002 521744516 /nfs/dbraw/zinc/74/45/16/521744516.db2.gz FTFJFINUYLKQLM-HNNXBMFYSA-N 0 3 294.395 2.041 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000274879188 522626091 /nfs/dbraw/zinc/62/60/91/522626091.db2.gz HFQFIHIGFJERBE-HOCLYGCPSA-N 0 3 279.380 2.220 20 10 CECDHN COC[C@H](NCc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000278616626 522750937 /nfs/dbraw/zinc/75/09/37/522750937.db2.gz JHFJRBJULNNSFE-GOEBONIOSA-N 0 3 279.380 2.287 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H](CO)C2CCCC2)cc1OC ZINC000291010241 522782439 /nfs/dbraw/zinc/78/24/39/522782439.db2.gz WTQOFIFUVFWOEL-ZDUSSCGKSA-N 0 3 295.379 2.050 20 10 CECDHN CC[C@@H]([NH2+]CCOCCOC)c1ccccc1[O-] ZINC000044693699 522837764 /nfs/dbraw/zinc/83/77/64/522837764.db2.gz JPRCUQASKYBTOB-CYBMUJFWSA-N 0 3 253.342 2.096 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280263805 522912381 /nfs/dbraw/zinc/91/23/81/522912381.db2.gz XJJHEXLGXUUGKH-GXTWGEPZSA-N 0 3 274.368 2.422 20 10 CECDHN CO[C@@H]1CN(Cc2cc(Cl)cc(C)c2O)C[C@@H]1OC ZINC000277246243 523736929 /nfs/dbraw/zinc/73/69/29/523736929.db2.gz NQJMDWASTXNGPR-BETUJISGSA-N 0 3 285.771 2.200 20 10 CECDHN COc1ccc(CN[C@@H](C)CC[S@@](C)=O)cc1C ZINC000125440816 524074446 /nfs/dbraw/zinc/07/44/46/524074446.db2.gz KJKXJVQYPUQIOI-SGTLLEGYSA-N 0 3 269.410 2.250 20 10 CECDHN C[C@H](CN1CCCC1=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037782524 524325889 /nfs/dbraw/zinc/32/58/89/524325889.db2.gz ZMYGQYWRJQJOJR-KGLIPLIRSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000280370274 524409942 /nfs/dbraw/zinc/40/99/42/524409942.db2.gz DJSZNYLNNUBOJE-VBQJREDUSA-N 0 3 291.391 2.469 20 10 CECDHN Cc1cccc(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280380064 524411079 /nfs/dbraw/zinc/41/10/79/524411079.db2.gz WBEBTJVJICXZDN-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1[O-] ZINC000280380064 524411093 /nfs/dbraw/zinc/41/10/93/524411093.db2.gz WBEBTJVJICXZDN-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1O ZINC000280380064 524411101 /nfs/dbraw/zinc/41/11/01/524411101.db2.gz WBEBTJVJICXZDN-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2nccs2)c1 ZINC000063133602 524753250 /nfs/dbraw/zinc/75/32/50/524753250.db2.gz BUEMSASPKUEOOF-UHFFFAOYSA-N 0 3 264.350 2.190 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000071407908 525344828 /nfs/dbraw/zinc/34/48/28/525344828.db2.gz GLBHOFRGTRJLLY-UHFFFAOYSA-N 0 3 260.381 2.417 20 10 CECDHN C[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000128081497 525467106 /nfs/dbraw/zinc/46/71/06/525467106.db2.gz CDSVPEQGEFRAIB-SNVBAGLBSA-N 0 3 263.316 2.158 20 10 CECDHN C[C@H](N[C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282686 525605999 /nfs/dbraw/zinc/60/59/99/525605999.db2.gz VPZRJARNOYWIMO-WFASDCNBSA-N 0 3 275.396 2.072 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(F)ccc1[O-] ZINC000228855085 525635996 /nfs/dbraw/zinc/63/59/96/525635996.db2.gz IXGFHPQNMLKXCR-AQUOVQTQSA-N 0 3 253.317 2.341 20 10 CECDHN Cn1cc([C@H]2OCCC[C@@H]2[NH2+]Cc2ccccc2[O-])cn1 ZINC000275687147 527324762 /nfs/dbraw/zinc/32/47/62/527324762.db2.gz WTQGADHQCZCLTE-GOEBONIOSA-N 0 3 287.363 2.136 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc3c(cc2[O-])CCC3)CCCO1 ZINC000738159206 574492499 /nfs/dbraw/zinc/49/24/99/574492499.db2.gz ATDJTKMKFXRDJZ-LBPRGKRZSA-N 0 3 261.365 2.492 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])CCC3)CCCO1 ZINC000738159206 574492500 /nfs/dbraw/zinc/49/25/00/574492500.db2.gz ATDJTKMKFXRDJZ-LBPRGKRZSA-N 0 3 261.365 2.492 20 10 CECDHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc([O-])cs1 ZINC000732258616 574616179 /nfs/dbraw/zinc/61/61/79/574616179.db2.gz WPTLFHYMERLBPH-NSHDSACASA-N 0 3 282.409 2.448 20 10 CECDHN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc([O-])cs1 ZINC000732258616 574616180 /nfs/dbraw/zinc/61/61/80/574616180.db2.gz WPTLFHYMERLBPH-NSHDSACASA-N 0 3 282.409 2.448 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cn(C)nc2C)c1 ZINC000125532200 649936403 /nfs/dbraw/zinc/93/64/03/649936403.db2.gz RQCUOKAARUADGO-NSHDSACASA-N 0 3 275.352 2.294 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C(C)(C)CN(C)C)c1[O-] ZINC000308612751 623903800 /nfs/dbraw/zinc/90/38/00/623903800.db2.gz HKFXDFYATLBSSR-UHFFFAOYSA-N 0 3 286.803 2.484 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)c([O-])c1OC ZINC000891948497 624133147 /nfs/dbraw/zinc/13/31/47/624133147.db2.gz JSZNQNUFKYQVIN-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)c([O-])c1OC ZINC000891948497 624133149 /nfs/dbraw/zinc/13/31/49/624133149.db2.gz JSZNQNUFKYQVIN-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN C[C@@H]([NH2+]CCCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000183525336 628185631 /nfs/dbraw/zinc/18/56/31/628185631.db2.gz YSWSEWDWNTZPGL-KGLIPLIRSA-N 0 3 279.380 2.486 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185530651 628233321 /nfs/dbraw/zinc/23/33/21/628233321.db2.gz SANWJUCVFRHXRJ-RYUDHWBXSA-N 0 3 269.410 2.465 20 10 CECDHN C[NH2+][C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000053201291 628250689 /nfs/dbraw/zinc/25/06/89/628250689.db2.gz JQYDFMVFBNCICX-LBPRGKRZSA-N 0 3 254.761 2.229 20 10 CECDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902475962 634667483 /nfs/dbraw/zinc/66/74/83/634667483.db2.gz KNXOWKRSVVRPNC-HMHPOGMRSA-N 0 3 250.317 2.075 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000877527772 629179193 /nfs/dbraw/zinc/17/91/93/629179193.db2.gz VNUUJMOVQPJBPR-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN COc1ccc(CNCc2ccc(OC)cc2O)nc1 ZINC000894185239 629197451 /nfs/dbraw/zinc/19/74/51/629197451.db2.gz KMZZQHANQVUEJU-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN COc1ccc(CN2C[C@@H](C)[C@H]2C)c(O)c1OC ZINC000894627533 629561845 /nfs/dbraw/zinc/56/18/45/629561845.db2.gz IXBKSJXYWAJFLY-NXEZZACHSA-N 0 3 251.326 2.250 20 10 CECDHN COc1ccc2ccc([O-])c(C[N@@H+]3CC[C@H]3CO)c2c1 ZINC000902631468 634753530 /nfs/dbraw/zinc/75/35/30/634753530.db2.gz WZJFNZLFUCPHDF-LBPRGKRZSA-N 0 3 273.332 2.121 20 10 CECDHN COc1ccc2ccc([O-])c(C[N@H+]3CC[C@H]3CO)c2c1 ZINC000902631468 634753534 /nfs/dbraw/zinc/75/35/34/634753534.db2.gz WZJFNZLFUCPHDF-LBPRGKRZSA-N 0 3 273.332 2.121 20 10 CECDHN C[C@@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797069549 630123732 /nfs/dbraw/zinc/12/37/32/630123732.db2.gz GDJFSHNIVSOAGX-GHMZBOCLSA-N 0 3 283.393 2.009 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797071304 630124696 /nfs/dbraw/zinc/12/46/96/630124696.db2.gz RFDUDFZXJYRDEU-WCQYABFASA-N 0 3 297.420 2.399 20 10 CECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000896448387 630563188 /nfs/dbraw/zinc/56/31/88/630563188.db2.gz INGMBYBQRJHGAG-VNHYZAJKSA-N 0 3 275.348 2.023 20 10 CECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000896448387 630563192 /nfs/dbraw/zinc/56/31/92/630563192.db2.gz INGMBYBQRJHGAG-VNHYZAJKSA-N 0 3 275.348 2.023 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CC(C)(C)O ZINC000824695677 635478658 /nfs/dbraw/zinc/47/86/58/635478658.db2.gz BCIMPDQOKYHTJJ-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261094 631025632 /nfs/dbraw/zinc/02/56/32/631025632.db2.gz WFHHDZXMNFVENU-CQSZACIVSA-N 0 3 295.354 2.037 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCOCCO)c1[O-] ZINC000808672130 631998503 /nfs/dbraw/zinc/99/85/03/631998503.db2.gz DNXNADWOGXKZTK-SNVBAGLBSA-N 0 3 273.760 2.014 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCOCCO)c1[O-] ZINC000808714087 632004559 /nfs/dbraw/zinc/00/45/59/632004559.db2.gz SGCRWDSSIXZERA-LLVKDONJSA-N 0 3 287.787 2.404 20 10 CECDHN C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840179322 632094026 /nfs/dbraw/zinc/09/40/26/632094026.db2.gz ALEDMKATFAEJNE-IINYFYTJSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@H]1CC(C)(C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840179322 632094029 /nfs/dbraw/zinc/09/40/29/632094029.db2.gz ALEDMKATFAEJNE-IINYFYTJSA-N 0 3 277.364 2.438 20 10 CECDHN CCOc1cccc(CN(C)[C@H](CO)COC(C)C)c1O ZINC000809768832 632143179 /nfs/dbraw/zinc/14/31/79/632143179.db2.gz YAGNXELHBAGOTP-CQSZACIVSA-N 0 3 297.395 2.009 20 10 CECDHN COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000898481490 632508813 /nfs/dbraw/zinc/50/88/13/632508813.db2.gz LQWVYVRDOPJKSK-NEPJUHHUSA-N 0 3 293.363 2.222 20 10 CECDHN C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cc([O-])cs1 ZINC000819922959 634284335 /nfs/dbraw/zinc/28/43/35/634284335.db2.gz QFWOEMSIXIKARO-SNVBAGLBSA-N 0 3 282.409 2.256 20 10 CECDHN C[C@H](C1CCN(C)CC1)N(C)C(=O)C1=CC(=O)CS1 ZINC000819922959 634284343 /nfs/dbraw/zinc/28/43/43/634284343.db2.gz QFWOEMSIXIKARO-SNVBAGLBSA-N 0 3 282.409 2.256 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@H]13)CC2 ZINC000903286771 635050369 /nfs/dbraw/zinc/05/03/69/635050369.db2.gz NVTTWHBQYKGIRT-MWDKANPLSA-N 0 3 257.333 2.145 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000903343203 635071419 /nfs/dbraw/zinc/07/14/19/635071419.db2.gz NMUCIGPNYHIDTD-UONOGXRCSA-N 0 3 278.396 2.154 20 10 CECDHN CC(C)[C@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C ZINC000827937294 636463769 /nfs/dbraw/zinc/46/37/69/636463769.db2.gz QVVGPYDZIXDCEA-BXUZGUMPSA-N 0 3 264.369 2.156 20 10 CECDHN CC(C)N1CCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC000830180244 637000943 /nfs/dbraw/zinc/00/09/43/637000943.db2.gz JTNWZWBERKZYAB-ZDUSSCGKSA-N 0 3 280.343 2.020 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c([O-])c1 ZINC000834850585 637970840 /nfs/dbraw/zinc/97/08/40/637970840.db2.gz NCWNNQVIZSXWPL-LSDHHAIUSA-N 0 3 292.423 2.198 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1cc(F)ccc1[O-] ZINC000834849995 637971062 /nfs/dbraw/zinc/97/10/62/637971062.db2.gz ICRSLOXTMRWXTK-OCCSQVGLSA-N 0 3 296.386 2.029 20 10 CECDHN CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834908860 637984627 /nfs/dbraw/zinc/98/46/27/637984627.db2.gz MJHMPXJNDGTMFB-DOMZBBRYSA-N 0 3 262.353 2.102 20 10 CECDHN CC[C@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913050 637986008 /nfs/dbraw/zinc/98/60/08/637986008.db2.gz OESIEUYTTBTVGD-DOMZBBRYSA-N 0 3 277.412 2.318 20 10 CECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC000876739622 650415311 /nfs/dbraw/zinc/41/53/11/650415311.db2.gz DQLMPTPWKIEOOR-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000876900244 650478569 /nfs/dbraw/zinc/47/85/69/650478569.db2.gz WPXBRDJFUPMVJR-AWEZNQCLSA-N 0 3 279.380 2.376 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000226611447 639555740 /nfs/dbraw/zinc/55/57/40/639555740.db2.gz OUUIPSQCGNKDSD-GXFFZTMASA-N 0 3 253.317 2.172 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC[C@@H](O)C(F)(F)F ZINC000840930632 639590272 /nfs/dbraw/zinc/59/02/72/639590272.db2.gz NGGLNOKXZLHILX-GFCCVEGCSA-N 0 3 276.302 2.074 20 10 CECDHN CC[C@@H](CCO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000169089288 639596524 /nfs/dbraw/zinc/59/65/24/639596524.db2.gz NISMZYSQBSQPFL-NSHDSACASA-N 0 3 273.760 2.305 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000840957843 639601090 /nfs/dbraw/zinc/60/10/90/639601090.db2.gz GKJPUTWIOZGMQQ-NXEZZACHSA-N 0 3 253.367 2.384 20 10 CECDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCC(=O)N1 ZINC000840976686 639607347 /nfs/dbraw/zinc/60/73/47/639607347.db2.gz PXGNJGBGMXNGKH-CYBMUJFWSA-N 0 3 280.343 2.020 20 10 CECDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCC(=O)N1 ZINC000840976686 639607349 /nfs/dbraw/zinc/60/73/49/639607349.db2.gz PXGNJGBGMXNGKH-CYBMUJFWSA-N 0 3 280.343 2.020 20 10 CECDHN COc1ccc(C[NH2+]C[C@H]2CCSC2)c([O-])c1 ZINC000228554910 639642721 /nfs/dbraw/zinc/64/27/21/639642721.db2.gz TWYQFEFNLJKUHL-SNVBAGLBSA-N 0 3 253.367 2.244 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CNCCC1(F)F ZINC000841080985 639649432 /nfs/dbraw/zinc/64/94/32/639649432.db2.gz RPNJERXFSOHMAM-AWEZNQCLSA-N 0 3 283.366 2.148 20 10 CECDHN CC[C@H](CN1CCN(c2ccc(OC)c(F)c2)CC1)OC ZINC000842153939 639967886 /nfs/dbraw/zinc/96/78/86/639967886.db2.gz XHLZRGLTRBOJCO-CQSZACIVSA-N 0 3 296.386 2.381 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843046348 640251005 /nfs/dbraw/zinc/25/10/05/640251005.db2.gz XCUASCRFQZALRG-SWLSCSKDSA-N 0 3 278.371 2.495 20 10 CECDHN [NH3+]C[C@@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000843047496 640252230 /nfs/dbraw/zinc/25/22/30/640252230.db2.gz PZVMNTMZORIINX-JTQLQIEISA-N 0 3 299.212 2.325 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914435592 640406543 /nfs/dbraw/zinc/40/65/43/640406543.db2.gz HSEDXUDQEZWFJI-STQMWFEESA-N 0 3 251.301 2.046 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H](CO)CCF)c2c1c(F)ccc2[O-] ZINC000846208772 641223231 /nfs/dbraw/zinc/22/32/31/641223231.db2.gz KYMFSHUSDDSEOP-YWVKMMECSA-N 0 3 271.307 2.390 20 10 CECDHN C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC000179874063 641389084 /nfs/dbraw/zinc/38/90/84/641389084.db2.gz IALLMQMISAYQPR-NSHDSACASA-N 0 3 270.332 2.342 20 10 CECDHN COC1(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])CCOCC1 ZINC000186147225 642072607 /nfs/dbraw/zinc/07/26/07/642072607.db2.gz UMMRRVQBMCVCOL-NSHDSACASA-N 0 3 283.343 2.378 20 10 CECDHN CCc1cccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000848908082 642183655 /nfs/dbraw/zinc/18/36/55/642183655.db2.gz MRKSVAVDTTWLQI-GUYCJALGSA-N 0 3 291.391 2.334 20 10 CECDHN C[C@H](C[NH2+]Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000320154113 642278052 /nfs/dbraw/zinc/27/80/52/642278052.db2.gz JTGWYFQWVJHVQL-LLVKDONJSA-N 0 3 265.353 2.460 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN(c3cccnn3)CC2)c([O-])c1 ZINC000877476329 650739707 /nfs/dbraw/zinc/73/97/07/650739707.db2.gz AVQWVILYBGPIOS-UHFFFAOYSA-N 0 3 298.390 2.249 20 10 CECDHN Cc1cccc(O)c1CN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000877480736 650741759 /nfs/dbraw/zinc/74/17/59/650741759.db2.gz GJLZRNPNXWEPRG-ZDUSSCGKSA-N 0 3 297.420 2.100 20 10 CECDHN COc1ccc(O)c(CNCc2c(C3CC3)cnn2C)c1 ZINC000850136970 642590741 /nfs/dbraw/zinc/59/07/41/642590741.db2.gz HOFBDWQXIOXCRS-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN CCCn1nccc1CNCc1cc(OC)ccc1O ZINC000850137517 642591294 /nfs/dbraw/zinc/59/12/94/642591294.db2.gz PXDRJAMJKOQNQI-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000877528572 650769177 /nfs/dbraw/zinc/76/91/77/650769177.db2.gz DUSURNLQBXJJRQ-CYBMUJFWSA-N 0 3 271.364 2.424 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000877528572 650769180 /nfs/dbraw/zinc/76/91/80/650769180.db2.gz DUSURNLQBXJJRQ-CYBMUJFWSA-N 0 3 271.364 2.424 20 10 CECDHN CCOc1ccc(C[NH2+]CCc2cncc(C)n2)c([O-])c1 ZINC000850390447 642697465 /nfs/dbraw/zinc/69/74/65/642697465.db2.gz HQZOHIHFOLZYMU-UHFFFAOYSA-N 0 3 287.363 2.222 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877550151 650782212 /nfs/dbraw/zinc/78/22/12/650782212.db2.gz UJVBXESKBLKNAP-CYBMUJFWSA-N 0 3 278.396 2.343 20 10 CECDHN CON(C)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850479282 642725767 /nfs/dbraw/zinc/72/57/67/642725767.db2.gz PFJZLCZNAVNXKB-MWLCHTKSSA-N 0 3 268.332 2.162 20 10 CECDHN Cc1ccc(C[NH2+]C2(CO)CCSCC2)c([O-])c1 ZINC000877585272 650801574 /nfs/dbraw/zinc/80/15/74/650801574.db2.gz RCNATZXDOWAVRQ-UHFFFAOYSA-N 0 3 267.394 2.048 20 10 CECDHN CCCN1C[C@@H](C[NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877594680 650805933 /nfs/dbraw/zinc/80/59/33/650805933.db2.gz ISEUGPDHWOEKJE-CYBMUJFWSA-N 0 3 276.380 2.049 20 10 CECDHN C[C@@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1[O-] ZINC000922329625 643030428 /nfs/dbraw/zinc/03/04/28/643030428.db2.gz OSCREMGQXULLBL-LLVKDONJSA-N 0 3 287.363 2.049 20 10 CECDHN Cc1ccc(CN2CCO[C@@]3(CCSC3)C2)c(O)c1 ZINC000877604735 650810566 /nfs/dbraw/zinc/81/05/66/650810566.db2.gz QANBGLJGCJHFQF-HNNXBMFYSA-N 0 3 279.405 2.409 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851792779 643164321 /nfs/dbraw/zinc/16/43/21/643164321.db2.gz SRJQOHQBUUMDNQ-CYBMUJFWSA-N 0 3 263.337 2.310 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000851792779 643164325 /nfs/dbraw/zinc/16/43/25/643164325.db2.gz SRJQOHQBUUMDNQ-CYBMUJFWSA-N 0 3 263.337 2.310 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000922809673 643275658 /nfs/dbraw/zinc/27/56/58/643275658.db2.gz NCEMKCCISMPWBH-CQSZACIVSA-N 0 3 277.364 2.210 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC(=O)N(C(C)(C)C)C1 ZINC000877636014 650827061 /nfs/dbraw/zinc/82/70/61/650827061.db2.gz KKFOIPRYJGEHGT-ZDUSSCGKSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000877636497 650827640 /nfs/dbraw/zinc/82/76/40/650827640.db2.gz YTQZSIBNMSYXRO-CYBMUJFWSA-N 0 3 290.407 2.437 20 10 CECDHN CC(C)(C)N1CC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000852413339 643418032 /nfs/dbraw/zinc/41/80/32/643418032.db2.gz TWCOJVISBIUCRH-CYBMUJFWSA-N 0 3 291.395 2.064 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000839147051 644158209 /nfs/dbraw/zinc/15/82/09/644158209.db2.gz CBXATOPBUPBKFO-TXEJJXNPSA-N 0 3 265.353 2.446 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CC(C(C)(C)O)C2)cc1 ZINC000839140134 644171522 /nfs/dbraw/zinc/17/15/22/644171522.db2.gz OGESFVZXVFXDOZ-WAYWQWQTSA-N 0 3 274.408 2.469 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CC2(C1)CCOCC2 ZINC000839141642 644173052 /nfs/dbraw/zinc/17/30/52/644173052.db2.gz USFPVFIMFSRICN-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN COCCCn1nccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755789 650898952 /nfs/dbraw/zinc/89/89/52/650898952.db2.gz MYYNXHCCMYVUHJ-CYBMUJFWSA-N 0 3 289.379 2.476 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)c1ccccc1[O-] ZINC000877755644 650899243 /nfs/dbraw/zinc/89/92/43/650899243.db2.gz JNEJWZZLYUNATF-XQQFMLRXSA-N 0 3 276.380 2.490 20 10 CECDHN C[C@H](C[C@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758116 650899862 /nfs/dbraw/zinc/89/98/62/650899862.db2.gz JNEJWZZLYUNATF-FRRDWIJNSA-N 0 3 276.380 2.490 20 10 CECDHN COCCOCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756462679 644651871 /nfs/dbraw/zinc/65/18/71/644651871.db2.gz YPCKEVUJOZSPIO-CMPLNLGQSA-N 0 3 283.343 2.332 20 10 CECDHN O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([O-])cs1 ZINC000856414545 644665133 /nfs/dbraw/zinc/66/51/33/644665133.db2.gz MUSWSWXWZWRSLJ-UHFFFAOYSA-N 0 3 294.420 2.306 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000756557843 644665775 /nfs/dbraw/zinc/66/57/75/644665775.db2.gz WQQGIXCHHBKDPL-JSGCOSHPSA-N 0 3 288.391 2.119 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccc2ccccc2c1[O-] ZINC000756557847 644665998 /nfs/dbraw/zinc/66/59/98/644665998.db2.gz WQQGIXCHHBKDPL-TZMCWYRMSA-N 0 3 288.391 2.119 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCSCC1 ZINC000757874563 644852460 /nfs/dbraw/zinc/85/24/60/644852460.db2.gz KJKBZDMUJWSCRX-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCSCC1 ZINC000757874563 644852465 /nfs/dbraw/zinc/85/24/65/644852465.db2.gz KJKBZDMUJWSCRX-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN CCN(CC)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000115489709 644959346 /nfs/dbraw/zinc/95/93/46/644959346.db2.gz XAZVGUKJLJFGEE-UHFFFAOYSA-N 0 3 277.412 2.019 20 10 CECDHN CN(C)c1cc(F)c(CNC[C@H](O)C2CCC2)cc1F ZINC000858174530 645080856 /nfs/dbraw/zinc/08/08/56/645080856.db2.gz TUTYTVGQBKQFOE-HNNXBMFYSA-N 0 3 284.350 2.281 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@H]1CCCOC1 ZINC000858205689 645087198 /nfs/dbraw/zinc/08/71/98/645087198.db2.gz CSMGKSFOSZDMRC-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN Cc1ccc([C@H](C)N[C@H](CO)c2ccnn2C)c(O)c1C ZINC000858435143 645158701 /nfs/dbraw/zinc/15/87/01/645158701.db2.gz XCFXLWMBDDBVHC-GXTWGEPZSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COCCN2C)c1[O-] ZINC000858523786 645190945 /nfs/dbraw/zinc/19/09/45/645190945.db2.gz UYDFZGJFTHPRIQ-WCQYABFASA-N 0 3 298.814 2.335 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761223423 645259610 /nfs/dbraw/zinc/25/96/10/645259610.db2.gz QWYWGZXSRJMOEB-UHFFFAOYSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761223423 645259616 /nfs/dbraw/zinc/25/96/16/645259616.db2.gz QWYWGZXSRJMOEB-UHFFFAOYSA-N 0 3 255.745 2.309 20 10 CECDHN COC(=O)CCCC[N@H+](C)Cc1ccccc1[O-] ZINC000859189928 645408917 /nfs/dbraw/zinc/40/89/17/645408917.db2.gz YLXKXVIEDNWXQY-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN COC(=O)CCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000859189928 645408923 /nfs/dbraw/zinc/40/89/23/645408923.db2.gz YLXKXVIEDNWXQY-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(C)(CO)CC2)c([O-])c1 ZINC000762791865 645452223 /nfs/dbraw/zinc/45/22/23/645452223.db2.gz YVSINFNFFCPVMV-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN CC(C)[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441713 646122470 /nfs/dbraw/zinc/12/24/70/646122470.db2.gz GPDILEMOADUJQJ-DZGCQCFKSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441713 646122472 /nfs/dbraw/zinc/12/24/72/646122472.db2.gz GPDILEMOADUJQJ-DZGCQCFKSA-N 0 3 277.364 2.438 20 10 CECDHN CCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444568 646123775 /nfs/dbraw/zinc/12/37/75/646123775.db2.gz MIDWOCUIQGQWDO-ZDUSSCGKSA-N 0 3 251.326 2.050 20 10 CECDHN CCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768444568 646123780 /nfs/dbraw/zinc/12/37/80/646123780.db2.gz MIDWOCUIQGQWDO-ZDUSSCGKSA-N 0 3 251.326 2.050 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768444583 646124027 /nfs/dbraw/zinc/12/40/27/646124027.db2.gz MNJANGOANKXSCW-IAQYHMDHSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768444583 646124028 /nfs/dbraw/zinc/12/40/28/646124028.db2.gz MNJANGOANKXSCW-IAQYHMDHSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465617 646128093 /nfs/dbraw/zinc/12/80/93/646128093.db2.gz JCRAVYHGFYBPGT-BXUZGUMPSA-N 0 3 295.404 2.145 20 10 CECDHN CC[C@@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465617 646128100 /nfs/dbraw/zinc/12/81/00/646128100.db2.gz JCRAVYHGFYBPGT-BXUZGUMPSA-N 0 3 295.404 2.145 20 10 CECDHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464965 646128119 /nfs/dbraw/zinc/12/81/19/646128119.db2.gz CYFPAXZRQTYXBI-IXPVHAAZSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464965 646128122 /nfs/dbraw/zinc/12/81/22/646128122.db2.gz CYFPAXZRQTYXBI-IXPVHAAZSA-N 0 3 277.364 2.438 20 10 CECDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C[C@@H]1CCOC1 ZINC000768522102 646134767 /nfs/dbraw/zinc/13/47/67/646134767.db2.gz YPRMLNZOHCJMIM-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CC[N@H+](Cc1cccc(OC)c1[O-])C[C@@H]1CCOC1 ZINC000768522102 646134771 /nfs/dbraw/zinc/13/47/71/646134771.db2.gz YPRMLNZOHCJMIM-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@H]1CCCO1 ZINC000769030965 646194467 /nfs/dbraw/zinc/19/44/67/646194467.db2.gz ZBRQSRWLOSLRPU-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@H]1CCCO1 ZINC000769030965 646194469 /nfs/dbraw/zinc/19/44/69/646194469.db2.gz ZBRQSRWLOSLRPU-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCOC[C@H]2C)c([O-])c1 ZINC000769457154 646269605 /nfs/dbraw/zinc/26/96/05/646269605.db2.gz NWDRINAASNFVBF-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCOC[C@H]2C)c([O-])c1 ZINC000769457154 646269610 /nfs/dbraw/zinc/26/96/10/646269610.db2.gz NWDRINAASNFVBF-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000770383153 646384948 /nfs/dbraw/zinc/38/49/48/646384948.db2.gz CHICRUVDXXCTAZ-ZDUSSCGKSA-N 0 3 295.379 2.028 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000770383153 646384953 /nfs/dbraw/zinc/38/49/53/646384953.db2.gz CHICRUVDXXCTAZ-ZDUSSCGKSA-N 0 3 295.379 2.028 20 10 CECDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774618424 646868239 /nfs/dbraw/zinc/86/82/39/646868239.db2.gz JTMYCPUDRLTBPU-ZBINZKHDSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774618424 646868243 /nfs/dbraw/zinc/86/82/43/646868243.db2.gz JTMYCPUDRLTBPU-ZBINZKHDSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccccc1[O-] ZINC000775136647 646925946 /nfs/dbraw/zinc/92/59/46/646925946.db2.gz NFSDTXZQOZPRAP-CHWSQXEVSA-N 0 3 265.353 2.238 20 10 CECDHN CCCN(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775403606 646950270 /nfs/dbraw/zinc/95/02/70/646950270.db2.gz JNOSSVSHMBUKOR-CYBMUJFWSA-N 0 3 277.412 2.272 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000775586843 646969976 /nfs/dbraw/zinc/96/99/76/646969976.db2.gz PRTAFHCSDOPOCE-GXSJLCMTSA-N 0 3 280.343 2.148 20 10 CECDHN CCCCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775829940 646997204 /nfs/dbraw/zinc/99/72/04/646997204.db2.gz BEJRNYZDOUJQTN-CYBMUJFWSA-N 0 3 277.412 2.320 20 10 CECDHN CC[C@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830166 646997367 /nfs/dbraw/zinc/99/73/67/646997367.db2.gz DXOPCCZSOYDGRT-QWHCGFSZSA-N 0 3 277.412 2.318 20 10 CECDHN CC[C@@H](C)NC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775830165 646997421 /nfs/dbraw/zinc/99/74/21/646997421.db2.gz DXOPCCZSOYDGRT-OLZOCXBDSA-N 0 3 277.412 2.318 20 10 CECDHN C[C@@H]1[C@@H](C)N(Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000775983982 647012955 /nfs/dbraw/zinc/01/29/55/647012955.db2.gz DUPKMDNQPNSEJR-CHWSQXEVSA-N 0 3 279.403 2.416 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000776220359 647038163 /nfs/dbraw/zinc/03/81/63/647038163.db2.gz WJXPZFGRSFFJHO-AAEUAGOBSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000778193263 647207631 /nfs/dbraw/zinc/20/76/31/647207631.db2.gz VIBCJJKGGSQXTB-KBPBESRZSA-N 0 3 265.353 2.040 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H](O)C(F)(F)F ZINC000866463032 647795318 /nfs/dbraw/zinc/79/53/18/647795318.db2.gz HCUULPOYJSRHMZ-LPBBDHJYSA-N 0 3 275.270 2.281 20 10 CECDHN CCOc1ccc(O)c(CN(CCOC)[C@@H]2CCOC2)c1 ZINC000787334224 648100998 /nfs/dbraw/zinc/10/09/98/648100998.db2.gz HCFUUNRNALQJNJ-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@H]2C)c([O-])c1 ZINC000787420842 648107592 /nfs/dbraw/zinc/10/75/92/648107592.db2.gz KYLZOKDNDKSCTL-RISCZKNCSA-N 0 3 293.363 2.174 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)c([O-])c1 ZINC000787420842 648107595 /nfs/dbraw/zinc/10/75/95/648107595.db2.gz KYLZOKDNDKSCTL-RISCZKNCSA-N 0 3 293.363 2.174 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnn3ccccc23)c([O-])c1 ZINC000793389499 648749126 /nfs/dbraw/zinc/74/91/26/648749126.db2.gz ZVZLOSXHOBMUKM-UHFFFAOYSA-N 0 3 283.331 2.338 20 10 CECDHN [NH3+][C@H]1CCCCCN(Cc2cccc(F)c2[O-])C1 ZINC000873214199 649592516 /nfs/dbraw/zinc/59/25/16/649592516.db2.gz AWPALXCKTRBPJM-LBPRGKRZSA-N 0 3 252.333 2.235 20 10 CECDHN C[NH2+]C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128326172 651418979 /nfs/dbraw/zinc/41/89/79/651418979.db2.gz YGYRBHKHCCQPKH-JTQLQIEISA-N 0 3 254.761 2.087 20 10 CECDHN CC1([NH+]2CCC2)CCN(C(=O)c2cc([O-])cs2)CC1 ZINC000882506791 652113460 /nfs/dbraw/zinc/11/34/60/652113460.db2.gz CUFUBLPCCILCKE-UHFFFAOYSA-N 0 3 280.393 2.154 20 10 CECDHN COc1cccc2c1CC[C@@]2(CO)[NH2+]Cc1ccccc1[O-] ZINC000883324484 652432844 /nfs/dbraw/zinc/43/28/44/652432844.db2.gz UOMWATSGIOHNGE-SFHVURJKSA-N 0 3 299.370 2.324 20 10 CECDHN COc1cccc(C[NH2+]Cc2ccccc2[O-])c1O ZINC000134235652 652795576 /nfs/dbraw/zinc/79/55/76/652795576.db2.gz ITPMUKDFPNSNBT-UHFFFAOYSA-N 0 3 259.305 2.396 20 10 CECDHN CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3CC[C@@H](C2)N3C)cc1 ZINC001270932549 805692332 /nfs/dbraw/zinc/69/23/32/805692332.db2.gz NDEDSGOIKDJRCW-LYMUKDTJSA-N 0 3 299.418 2.071 20 10 CECDHN [O-]c1c(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703349674 809643845 /nfs/dbraw/zinc/64/38/45/809643845.db2.gz ZDNOIEFEEYKRGM-RYUDHWBXSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703349674 809643851 /nfs/dbraw/zinc/64/38/51/809643851.db2.gz ZDNOIEFEEYKRGM-RYUDHWBXSA-N 0 3 282.334 2.387 20 10 CECDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@H+](C)C1 ZINC000707156113 802897828 /nfs/dbraw/zinc/89/78/28/802897828.db2.gz SEQMSQGPYDWMRJ-SNVBAGLBSA-N 0 3 299.212 2.291 20 10 CECDHN CN(Cc1c([O-])cccc1Br)[C@@H]1CC[N@@H+](C)C1 ZINC000707156113 802897834 /nfs/dbraw/zinc/89/78/34/802897834.db2.gz SEQMSQGPYDWMRJ-SNVBAGLBSA-N 0 3 299.212 2.291 20 10 CECDHN Cc1c(O)ccc(CN2CC3(C2)C[C@@H](F)CS3)c1O ZINC001140747474 803513504 /nfs/dbraw/zinc/51/35/04/803513504.db2.gz AXXQQDGBVVVOQH-LLVKDONJSA-N 0 3 283.368 2.436 20 10 CECDHN c1cc(CN[C@H]2CCCC23OCCO3)cc2c1OCC2 ZINC000715636767 814979447 /nfs/dbraw/zinc/97/94/47/814979447.db2.gz VCJAXBKDHJVLIU-HNNXBMFYSA-N 0 3 275.348 2.007 20 10 CECDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccns1 ZINC000715930036 815007435 /nfs/dbraw/zinc/00/74/35/815007435.db2.gz GJTJPDTWVBLXGD-MRVPVSSYSA-N 0 3 278.333 2.428 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000716758432 815145898 /nfs/dbraw/zinc/14/58/98/815145898.db2.gz MJAVYJKQWFODHR-AAEUAGOBSA-N 0 3 274.364 2.054 20 10 CECDHN [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1F ZINC001206197118 815638281 /nfs/dbraw/zinc/63/82/81/815638281.db2.gz GETTVOPRFWTRSD-ZYHUDNBSSA-N 0 3 290.741 2.446 20 10 CECDHN [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1F ZINC001206197115 815638896 /nfs/dbraw/zinc/63/88/96/815638896.db2.gz GETTVOPRFWTRSD-PWSUYJOCSA-N 0 3 290.741 2.446 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@](O)(CF)C1 ZINC001203549909 808669433 /nfs/dbraw/zinc/66/94/33/808669433.db2.gz CDRQNXJSVKJTKU-AWEZNQCLSA-N 0 3 253.317 2.079 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001203549909 808669437 /nfs/dbraw/zinc/66/94/37/808669437.db2.gz CDRQNXJSVKJTKU-AWEZNQCLSA-N 0 3 253.317 2.079 20 10 CECDHN Oc1ccccc1CN1CCN(CCc2ccccn2)CC1 ZINC001203556739 808700889 /nfs/dbraw/zinc/70/08/89/808700889.db2.gz VSOLISILMQYFDD-UHFFFAOYSA-N 0 3 297.402 2.148 20 10 CECDHN C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370987 809730935 /nfs/dbraw/zinc/73/09/35/809730935.db2.gz JFLJFPXRXNYNAY-WFASDCNBSA-N 0 3 275.396 2.024 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1[O-] ZINC001172157998 815323443 /nfs/dbraw/zinc/32/34/43/815323443.db2.gz BIDDXRQBMDGASI-AGIUHOORSA-N 0 3 274.364 2.196 20 10 CECDHN CCc1cccc(CN[C@@H](C)c2n[nH]c(C)n2)c1O ZINC000691460811 811860165 /nfs/dbraw/zinc/86/01/65/811860165.db2.gz SJAXWKQHJUOKDQ-VIFPVBQESA-N 0 3 260.341 2.232 20 10 CECDHN C[C@@H](NC(=O)NC[C@H]1CCCCN1C)c1ccccc1O ZINC001123746855 815551696 /nfs/dbraw/zinc/55/16/96/815551696.db2.gz NAFHYKFROSFPIO-CHWSQXEVSA-N 0 3 291.395 2.237 20 10 CECDHN COCC(COC)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000388509839 813239449 /nfs/dbraw/zinc/23/94/49/813239449.db2.gz QKLHJSDKAYPKBC-GFCCVEGCSA-N 0 3 266.385 2.065 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](CO)C(C)C)c1[O-] ZINC000394028360 813334609 /nfs/dbraw/zinc/33/46/09/813334609.db2.gz DHAMBUIBEWJZKC-NSHDSACASA-N 0 3 287.787 2.408 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000694778786 814636112 /nfs/dbraw/zinc/63/61/12/814636112.db2.gz YIOUTEFJQHGMPY-NEPJUHHUSA-N 0 3 283.393 2.010 20 10 CECDHN CC[C@H](NCc1ccc(N(CC)CC)cc1)C(=O)NC ZINC000697835688 814652881 /nfs/dbraw/zinc/65/28/81/814652881.db2.gz GKXZNWHULBJIRI-HNNXBMFYSA-N 0 3 277.412 2.147 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116444086 814854101 /nfs/dbraw/zinc/85/41/01/814854101.db2.gz QDYJVIYBEUIIAG-IUODEOHRSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001116444086 814854105 /nfs/dbraw/zinc/85/41/05/814854105.db2.gz QDYJVIYBEUIIAG-IUODEOHRSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCS2(=O)=O)c([O-])c1 ZINC000714353661 814897572 /nfs/dbraw/zinc/89/75/72/814897572.db2.gz ZOCXKACUGWGOKB-CHWSQXEVSA-N 0 3 297.420 2.319 20 10 CECDHN O=c1[nH]cccc1CNCc1ccc2c(c1)CCO2 ZINC000714954087 814923243 /nfs/dbraw/zinc/92/32/43/814923243.db2.gz LODCJVJTNKQYSD-UHFFFAOYSA-N 0 3 256.305 2.012 20 10 CECDHN COc1ccc(N2CCN(Cc3ncccc3O)CC2)cc1 ZINC001138391783 815786117 /nfs/dbraw/zinc/78/61/17/815786117.db2.gz YAQKZSVMJJOZHP-UHFFFAOYSA-N 0 3 299.374 2.118 20 10 CECDHN CCCCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055874 816179530 /nfs/dbraw/zinc/17/95/30/816179530.db2.gz YYROKOSWGDCBRJ-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN Cc1ccc(C)c(CN2C[C@H](F)C[C@H](CO)C2)c1O ZINC001140178547 816204095 /nfs/dbraw/zinc/20/40/95/816204095.db2.gz OALMPUGQIAVFSH-QWHCGFSZSA-N 0 3 267.344 2.161 20 10 CECDHN Cc1ccc(O)c(CN2CC(N3CCC(F)CC3)C2)c1 ZINC001140623422 816306154 /nfs/dbraw/zinc/30/61/54/816306154.db2.gz RNSDEWHUFWXOBU-UHFFFAOYSA-N 0 3 278.371 2.319 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3nccc(C)n3)CC2)c1 ZINC001140624451 816308787 /nfs/dbraw/zinc/30/87/87/816308787.db2.gz XECVBDSECBZXQD-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CCN(CC)c1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001140850178 816383254 /nfs/dbraw/zinc/38/32/54/816383254.db2.gz FXVGEPKSVSRNLZ-UHFFFAOYSA-N 0 3 278.396 2.053 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954071 816424416 /nfs/dbraw/zinc/42/44/16/816424416.db2.gz KQCUYPDIZXMPHZ-DZGCQCFKSA-N 0 3 288.391 2.143 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954071 816424420 /nfs/dbraw/zinc/42/44/20/816424420.db2.gz KQCUYPDIZXMPHZ-DZGCQCFKSA-N 0 3 288.391 2.143 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])CC1 ZINC001140954470 816424501 /nfs/dbraw/zinc/42/45/01/816424501.db2.gz SWUMQMCCRCZEJI-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])CC1 ZINC001140954470 816424506 /nfs/dbraw/zinc/42/45/06/816424506.db2.gz SWUMQMCCRCZEJI-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC3(CC3)C2)c(OC)c1 ZINC001141026454 816449257 /nfs/dbraw/zinc/44/92/57/816449257.db2.gz QXAULCULSSEEAI-UHFFFAOYSA-N 0 3 263.337 2.395 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC3(CC3)C2)c(OC)c1 ZINC001141026454 816449259 /nfs/dbraw/zinc/44/92/59/816449259.db2.gz QXAULCULSSEEAI-UHFFFAOYSA-N 0 3 263.337 2.395 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)CC2)c(OC)c1 ZINC001141032116 816453162 /nfs/dbraw/zinc/45/31/62/816453162.db2.gz SZENDXLGUBEUCT-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CO)CC2)c(OC)c1 ZINC001141032116 816453163 /nfs/dbraw/zinc/45/31/63/816453163.db2.gz SZENDXLGUBEUCT-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN CCOc1cccc(CN2CC(C)(COC)C2)c1O ZINC000839144970 816563808 /nfs/dbraw/zinc/56/38/08/816563808.db2.gz FFHCJTQMFVHYBV-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CN1CC2(C1)CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001143117151 816787923 /nfs/dbraw/zinc/78/79/23/816787923.db2.gz VLIOLYQPQXEVMZ-UHFFFAOYSA-N 0 3 274.408 2.437 20 10 CECDHN CCN(CC)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000063683499 343681016 /nfs/dbraw/zinc/68/10/16/343681016.db2.gz ZPFLBTHXTCOCJN-UHFFFAOYSA-N 0 3 291.439 2.443 20 10 CECDHN C[C@H](N)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000166470546 344476304 /nfs/dbraw/zinc/47/63/04/344476304.db2.gz RERFLIOPZIZFEJ-ZDUSSCGKSA-N 0 3 289.423 2.419 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@](C)(CC)CCO)c1 ZINC000134471232 366327755 /nfs/dbraw/zinc/32/77/55/366327755.db2.gz BIEPIEZOTZWFGF-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@](C)(CC)CCO)c1 ZINC000134471253 366327886 /nfs/dbraw/zinc/32/78/86/366327886.db2.gz BIEPIEZOTZWFGF-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN C[C@H](NCC1([S@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390092 299285413 /nfs/dbraw/zinc/28/54/13/299285413.db2.gz RDBCQVOEJZYBHV-BUXKBTBVSA-N 0 3 280.437 2.314 20 10 CECDHN CCN(CC)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019919480 361567056 /nfs/dbraw/zinc/56/70/56/361567056.db2.gz TZECVXSRSGFAKP-GFCCVEGCSA-N 0 3 266.385 2.393 20 10 CECDHN CN(C)c1ccc(CN2CCS[C@H]3COCC[C@@H]32)cc1 ZINC000091855630 364073826 /nfs/dbraw/zinc/07/38/26/364073826.db2.gz QHLHAPBHPGJOGN-HOTGVXAUSA-N 0 3 292.448 2.459 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CCOC)c1[O-] ZINC000112018226 364769317 /nfs/dbraw/zinc/76/93/17/364769317.db2.gz IDAVTXABASAIRT-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN CN(C)C1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCC1 ZINC000112016939 364769685 /nfs/dbraw/zinc/76/96/85/364769685.db2.gz WBZYVAPMEJBICV-UHFFFAOYSA-N 0 3 292.379 2.085 20 10 CECDHN COCCN1CCC([NH2+]Cc2c([O-])cccc2Cl)CC1 ZINC000113328763 364889461 /nfs/dbraw/zinc/88/94/61/364889461.db2.gz HPGPXSSBEALMML-UHFFFAOYSA-N 0 3 298.814 2.246 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000245868980 370882592 /nfs/dbraw/zinc/88/25/92/370882592.db2.gz RBSQWFADHBJVNR-DOTOQJQBSA-N 0 3 269.344 2.482 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2ccccc2[C@H]1O ZINC000245868980 370882595 /nfs/dbraw/zinc/88/25/95/370882595.db2.gz RBSQWFADHBJVNR-DOTOQJQBSA-N 0 3 269.344 2.482 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(O)CCCC1 ZINC000180172721 368370063 /nfs/dbraw/zinc/37/00/63/368370063.db2.gz OKRRPDHDAQXBGN-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(O)CCCC1 ZINC000180172721 368370066 /nfs/dbraw/zinc/37/00/66/368370066.db2.gz OKRRPDHDAQXBGN-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CC(=O)OC)c1 ZINC000179895483 368357407 /nfs/dbraw/zinc/35/74/07/368357407.db2.gz LOLMQXYCROKZRG-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H]2CC(=O)OC)c1 ZINC000179895483 368357409 /nfs/dbraw/zinc/35/74/09/368357409.db2.gz LOLMQXYCROKZRG-ZDUSSCGKSA-N 0 3 293.363 2.318 20 10 CECDHN CN1CCC[C@@H](C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000179938736 368360546 /nfs/dbraw/zinc/36/05/46/368360546.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 0 3 266.360 2.305 20 10 CECDHN CN1CCC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000179938736 368360549 /nfs/dbraw/zinc/36/05/49/368360549.db2.gz QBDLKILEQXGTSS-GFCCVEGCSA-N 0 3 266.360 2.305 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179981392 368361705 /nfs/dbraw/zinc/36/17/05/368361705.db2.gz IISKKMNJWMIFSX-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179981392 368361708 /nfs/dbraw/zinc/36/17/08/368361708.db2.gz IISKKMNJWMIFSX-LLVKDONJSA-N 0 3 281.327 2.306 20 10 CECDHN CC(C)NC(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000181270397 368439312 /nfs/dbraw/zinc/43/93/12/368439312.db2.gz YFTRVFXAQXNITG-JTQLQIEISA-N 0 3 268.332 2.097 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000186791602 369044633 /nfs/dbraw/zinc/04/46/33/369044633.db2.gz ONYUDSCKYKSCNW-MRCXROJRSA-N 0 3 253.317 2.485 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000189341565 369501565 /nfs/dbraw/zinc/50/15/65/369501565.db2.gz GYKLGVOEWGYJOK-KGLIPLIRSA-N 0 3 265.353 2.040 20 10 CECDHN CCCOc1ccc(C[NH2+]CCCCCO)c([O-])c1 ZINC000192903395 369869622 /nfs/dbraw/zinc/86/96/22/369869622.db2.gz UJYMBAOZEMKKBW-UHFFFAOYSA-N 0 3 267.369 2.433 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCCCCO)c1 ZINC000192906115 369870464 /nfs/dbraw/zinc/87/04/64/369870464.db2.gz CWBCZJRUOUXUHK-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN COc1cccc(CNCc2cccc(CO)c2)c1O ZINC000222110789 370250626 /nfs/dbraw/zinc/25/06/26/370250626.db2.gz PQOMVWQNOIXOET-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN COc1cccc(C[NH2+]Cc2cccc(CO)c2)c1[O-] ZINC000222110789 370250630 /nfs/dbraw/zinc/25/06/30/370250630.db2.gz PQOMVWQNOIXOET-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000223740302 370270321 /nfs/dbraw/zinc/27/03/21/370270321.db2.gz WGSCDTLVVLWRDX-GFCCVEGCSA-N 0 3 296.436 2.100 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000226610895 370349470 /nfs/dbraw/zinc/34/94/70/370349470.db2.gz INRNHCALACEULP-GXFFZTMASA-N 0 3 253.317 2.172 20 10 CECDHN [O-]c1ccccc1C[NH2+]C1CCN(C2CCC2)CC1 ZINC000263659934 371944820 /nfs/dbraw/zinc/94/48/20/371944820.db2.gz GWSWWNYGWDEZDE-UHFFFAOYSA-N 0 3 260.381 2.499 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC3(C1)CCOCC3)OCO2 ZINC000266476390 372048209 /nfs/dbraw/zinc/04/82/09/372048209.db2.gz UGYZUGVIJRQMFR-UHFFFAOYSA-N 0 3 291.347 2.123 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC3(C1)CCOCC3)OCO2 ZINC000266476390 372048212 /nfs/dbraw/zinc/04/82/12/372048212.db2.gz UGYZUGVIJRQMFR-UHFFFAOYSA-N 0 3 291.347 2.123 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000267068358 372055707 /nfs/dbraw/zinc/05/57/07/372055707.db2.gz IDGICORUYMCLQC-UHFFFAOYSA-N 0 3 260.337 2.419 20 10 CECDHN CCOc1ccc(O)c(CNCc2ccn(C)c2)c1 ZINC000267068358 372055712 /nfs/dbraw/zinc/05/57/12/372055712.db2.gz IDGICORUYMCLQC-UHFFFAOYSA-N 0 3 260.337 2.419 20 10 CECDHN CCOc1cccc(CNCc2ccn(C)c2)c1O ZINC000267120772 372057567 /nfs/dbraw/zinc/05/75/67/372057567.db2.gz TZFFZYWINWBWGC-UHFFFAOYSA-N 0 3 260.337 2.419 20 10 CECDHN CCOc1cccc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000267120772 372057572 /nfs/dbraw/zinc/05/75/72/372057572.db2.gz TZFFZYWINWBWGC-UHFFFAOYSA-N 0 3 260.337 2.419 20 10 CECDHN CC[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C ZINC000268831570 372244950 /nfs/dbraw/zinc/24/49/50/372244950.db2.gz WPKHNTVBAWAVGU-HNNXBMFYSA-N 0 3 289.423 2.025 20 10 CECDHN CN1CCc2cc(CNCc3c[nH]c4nccnc34)ccc21 ZINC000368116470 373219993 /nfs/dbraw/zinc/21/99/93/373219993.db2.gz UOCFKBWNEKWCAM-UHFFFAOYSA-N 0 3 293.374 2.192 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271735192 373199921 /nfs/dbraw/zinc/19/99/21/373199921.db2.gz OFKQHVUNJNWTLB-SNVBAGLBSA-N 0 3 283.755 2.349 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000271735192 373199929 /nfs/dbraw/zinc/19/99/29/373199929.db2.gz OFKQHVUNJNWTLB-SNVBAGLBSA-N 0 3 283.755 2.349 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCCSC2)cc1OC ZINC000271804219 373202879 /nfs/dbraw/zinc/20/28/79/373202879.db2.gz JMPZCQYAYOUKEX-LLVKDONJSA-N 0 3 283.393 2.395 20 10 CECDHN CC[C@H](NCc1cc(OC)ccc1O)[C@@H](O)C(F)(F)F ZINC000271876156 373204653 /nfs/dbraw/zinc/20/46/53/373204653.db2.gz ZLKYJIRESIGLRT-CMPLNLGQSA-N 0 3 293.285 2.192 20 10 CECDHN Cc1n[nH]c(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n1 ZINC000273499058 373760144 /nfs/dbraw/zinc/76/01/44/373760144.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1nc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])n[nH]1 ZINC000273499058 373760149 /nfs/dbraw/zinc/76/01/49/373760149.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1nnc(CC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])[nH]1 ZINC000273499058 373760155 /nfs/dbraw/zinc/76/01/55/373760155.db2.gz YKGORZBAHYYAPQ-MRVPVSSYSA-N 0 3 280.759 2.365 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520450 373762086 /nfs/dbraw/zinc/76/20/86/373762086.db2.gz UAZZDMWTMZWWFD-STQMWFEESA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520448 373762551 /nfs/dbraw/zinc/76/25/51/373762551.db2.gz UAZZDMWTMZWWFD-QWHCGFSZSA-N 0 3 276.380 2.361 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273552436 373765087 /nfs/dbraw/zinc/76/50/87/373765087.db2.gz GDFJRVAODNKBNY-HZMBPMFUSA-N 0 3 267.369 2.458 20 10 CECDHN COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000273604696 373767329 /nfs/dbraw/zinc/76/73/29/373767329.db2.gz SVOUTIAQPNFXPD-ZIAGYGMSSA-N 0 3 278.396 2.072 20 10 CECDHN Cc1nc(C)n(C[C@H]2CCC[N@@H+]2Cc2ccccc2[O-])n1 ZINC000371534777 373914600 /nfs/dbraw/zinc/91/46/00/373914600.db2.gz ORWHIJYDBTWXAG-OAHLLOKOSA-N 0 3 286.379 2.265 20 10 CECDHN Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2ccccc2[O-])n1 ZINC000371534777 373914607 /nfs/dbraw/zinc/91/46/07/373914607.db2.gz ORWHIJYDBTWXAG-OAHLLOKOSA-N 0 3 286.379 2.265 20 10 CECDHN CN1CC[C@@H]2CC[N@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488717 375114700 /nfs/dbraw/zinc/11/47/00/375114700.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488717 375114702 /nfs/dbraw/zinc/11/47/02/375114702.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488717 375114705 /nfs/dbraw/zinc/11/47/05/375114705.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@@H]2CCN(Cc3cccc(F)c3[O-])C[C@@H]21 ZINC000378488717 375114708 /nfs/dbraw/zinc/11/47/08/375114708.db2.gz BIFCYWKXWBFESD-RISCZKNCSA-N 0 3 264.344 2.057 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@H](C)C(=O)NCCF)cc1 ZINC000282650404 375539833 /nfs/dbraw/zinc/53/98/33/375539833.db2.gz HZUGZOCBGPNEHY-CHWSQXEVSA-N 0 3 295.402 2.268 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282984396 375629595 /nfs/dbraw/zinc/62/95/95/375629595.db2.gz ZVWRJXZTACDRNA-GOEBONIOSA-N 0 3 291.391 2.050 20 10 CECDHN COc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289258225 376391695 /nfs/dbraw/zinc/39/16/95/376391695.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 0 3 290.407 2.458 20 10 CECDHN COc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1[O-] ZINC000289258225 376391702 /nfs/dbraw/zinc/39/17/02/376391702.db2.gz FNELPXICAFQNOW-YIONKMFJSA-N 0 3 290.407 2.458 20 10 CECDHN C[C@@H](CO)[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC1CCC1 ZINC000289345036 376393393 /nfs/dbraw/zinc/39/33/93/376393393.db2.gz IJTYYIOYBMLHRJ-NSHDSACASA-N 0 3 293.363 2.104 20 10 CECDHN C[C@@H](CO)[N@H+](Cc1cc2c(cc1[O-])OCO2)CC1CCC1 ZINC000289345036 376393400 /nfs/dbraw/zinc/39/34/00/376393400.db2.gz IJTYYIOYBMLHRJ-NSHDSACASA-N 0 3 293.363 2.104 20 10 CECDHN COc1cccc(C[NH2+]CCc2scnc2C)c1[O-] ZINC000295062685 378038114 /nfs/dbraw/zinc/03/81/14/378038114.db2.gz QLMHDZFPGVZDSK-UHFFFAOYSA-N 0 3 278.377 2.498 20 10 CECDHN COCCn1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000296367997 378506197 /nfs/dbraw/zinc/50/61/97/378506197.db2.gz IMWBYDVMGVEDPR-AWEZNQCLSA-N 0 3 287.363 2.012 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296452214 378537584 /nfs/dbraw/zinc/53/75/84/378537584.db2.gz NJGLFBJBPCLUBU-CYBMUJFWSA-N 0 3 288.391 2.276 20 10 CECDHN C[C@H](Cn1cccn1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296686120 378617478 /nfs/dbraw/zinc/61/74/78/378617478.db2.gz GWVUHQMARXSWQO-DGCLKSJQSA-N 0 3 257.337 2.254 20 10 CECDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000298168279 378694771 /nfs/dbraw/zinc/69/47/71/378694771.db2.gz QFTMVFVESPDKMR-UHFFFAOYSA-N 0 3 277.412 2.099 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCc3nccn3C1)CC2 ZINC000296253521 285397572 /nfs/dbraw/zinc/39/75/72/285397572.db2.gz BJYHTYLRPFJZGU-GXTWGEPZSA-N 0 3 283.375 2.428 20 10 CECDHN COC(=O)CC[N@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000093384058 394666366 /nfs/dbraw/zinc/66/63/66/394666366.db2.gz QDSAETIJYSBXTC-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cc(C)ccc1[O-])C(C)C ZINC000093384058 394666368 /nfs/dbraw/zinc/66/63/68/394666368.db2.gz QDSAETIJYSBXTC-UHFFFAOYSA-N 0 3 265.353 2.474 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000093840296 394668565 /nfs/dbraw/zinc/66/85/65/394668565.db2.gz GZHVBEFBSYBSTM-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000093840296 394668567 /nfs/dbraw/zinc/66/85/67/394668567.db2.gz GZHVBEFBSYBSTM-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000120159469 394776118 /nfs/dbraw/zinc/77/61/18/394776118.db2.gz MYTUKSVJHJJVMW-CQSZACIVSA-N 0 3 251.326 2.060 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN2CCCC[C@H]2CO1)c1ccccc1[O-] ZINC000372933070 395050445 /nfs/dbraw/zinc/05/04/45/395050445.db2.gz YILLLNAQPXPUKV-SOUVJXGZSA-N 0 3 290.407 2.296 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000373177299 395056191 /nfs/dbraw/zinc/05/61/91/395056191.db2.gz ORKIJDKAKQBHAQ-HOCLYGCPSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)cc1C ZINC000373318602 395058489 /nfs/dbraw/zinc/05/84/89/395058489.db2.gz MBVZYXGQJTYSKM-MRXNPFEDSA-N 0 3 261.365 2.356 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1C ZINC000373318602 395058491 /nfs/dbraw/zinc/05/84/91/395058491.db2.gz MBVZYXGQJTYSKM-MRXNPFEDSA-N 0 3 261.365 2.356 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000174640982 395126490 /nfs/dbraw/zinc/12/64/90/395126490.db2.gz PDEKCLQDQCQOBD-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1 ZINC000178711805 395171895 /nfs/dbraw/zinc/17/18/95/395171895.db2.gz QPUFAUMGHFUXOT-INIZCTEOSA-N 0 3 289.423 2.291 20 10 CECDHN COc1cccc(CNCc2cnn(CC(F)F)c2)c1O ZINC000293848438 395253598 /nfs/dbraw/zinc/25/35/98/395253598.db2.gz HPINJDULGOTKPP-UHFFFAOYSA-N 0 3 297.305 2.152 20 10 CECDHN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296436055 395320340 /nfs/dbraw/zinc/32/03/40/395320340.db2.gz MITBVVJTRXGBIJ-UMVBOHGHSA-N 0 3 293.407 2.127 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCCCC1)CC2 ZINC000296113951 296592945 /nfs/dbraw/zinc/59/29/45/296592945.db2.gz UZKDFYPBIZBMAP-AWEZNQCLSA-N 0 3 260.381 2.455 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2(C(N)=O)CCCC2)c1 ZINC000273562961 286339386 /nfs/dbraw/zinc/33/93/86/286339386.db2.gz IQKKBMWVZMSRST-NSHDSACASA-N 0 3 292.379 2.097 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297794711 286713258 /nfs/dbraw/zinc/71/32/58/286713258.db2.gz QBMMJPIAADOBRT-IRUJWGPZSA-N 0 3 267.394 2.082 20 10 CECDHN COc1cc(O)c(CN2CCCOC(C)(C)C2)cc1OC ZINC000367221714 228108788 /nfs/dbraw/zinc/10/87/88/228108788.db2.gz PSFBXFZJMVRDTL-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cccc(C[NH2+]CC(C)(C)CCCO)c1[O-] ZINC000221396104 419465550 /nfs/dbraw/zinc/46/55/50/419465550.db2.gz GSYIYUNLKVGGQI-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CCOCC2)c([O-])c1 ZINC000036932530 260052166 /nfs/dbraw/zinc/05/21/66/260052166.db2.gz MCRDXJBHDAOPEN-UONOGXRCSA-N 0 3 278.396 2.072 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@H](C[NH+](C)C)C2)c1[O-] ZINC000184693380 262026239 /nfs/dbraw/zinc/02/62/39/262026239.db2.gz NQVLTMOVFFOIBU-LLVKDONJSA-N 0 3 298.814 2.438 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3ccnc(C)n3)CC2)c1 ZINC000184766388 262028979 /nfs/dbraw/zinc/02/89/79/262028979.db2.gz NVYZKFYMHJNXSI-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186048841 262077531 /nfs/dbraw/zinc/07/75/31/262077531.db2.gz DXLLWGGYJQNATR-ZWNOBZJWSA-N 0 3 280.343 2.191 20 10 CECDHN C[C@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186566955 262100081 /nfs/dbraw/zinc/10/00/81/262100081.db2.gz ANKDEIFTQFDTMM-CABCVRRESA-N 0 3 291.439 2.069 20 10 CECDHN CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(O)c1[O-] ZINC000276451266 263036786 /nfs/dbraw/zinc/03/67/86/263036786.db2.gz MPRNMLVXBJDTGM-UHFFFAOYSA-N 0 3 292.379 2.046 20 10 CECDHN COCC1(C[NH2+][C@H](C)c2ccccc2[O-])CCOCC1 ZINC000293865627 263151122 /nfs/dbraw/zinc/15/11/22/263151122.db2.gz YAHDDDKGEARCGU-CYBMUJFWSA-N 0 3 279.380 2.486 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368043499 267141053 /nfs/dbraw/zinc/14/10/53/267141053.db2.gz QBBRMMIKTAWDKT-NWDGAFQWSA-N 0 3 277.364 2.430 20 10 CECDHN CCOC(=O)CCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000373121163 267640312 /nfs/dbraw/zinc/64/03/12/267640312.db2.gz IEBSCJSZRIQBHK-UHFFFAOYSA-N 0 3 288.391 2.405 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](OC)CC2)cc1OC ZINC000377242722 268059054 /nfs/dbraw/zinc/05/90/54/268059054.db2.gz HVLUKYKDCAJXAE-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](OC)CC2)cc1OC ZINC000377242722 268059056 /nfs/dbraw/zinc/05/90/56/268059056.db2.gz HVLUKYKDCAJXAE-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CCN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296095299 276379613 /nfs/dbraw/zinc/37/96/13/276379613.db2.gz UBHLPRDTZSMVCI-KBPBESRZSA-N 0 3 260.381 2.453 20 10 CECDHN COc1ccc(N2CCN(CC[C@H]3CCCO3)CC2)cc1 ZINC000188601245 277909222 /nfs/dbraw/zinc/90/92/22/277909222.db2.gz TZDKLRMNVCKYBQ-QGZVFWFLSA-N 0 3 290.407 2.386 20 10 CECDHN CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1[O-])[C@@H](O)C(F)F ZINC000294927525 288080672 /nfs/dbraw/zinc/08/06/72/288080672.db2.gz BKGVJIQGWKBTEF-YDEJPDAXSA-N 0 3 289.322 2.456 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C ZINC000264591446 279236703 /nfs/dbraw/zinc/23/67/03/279236703.db2.gz AVQGAWWUNSWFSW-INIZCTEOSA-N 0 3 289.423 2.195 20 10 CECDHN CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccccc1[O-] ZINC000287308378 328250648 /nfs/dbraw/zinc/25/06/48/328250648.db2.gz DWIWNAICPGEOSX-CQSZACIVSA-N 0 3 279.380 2.365 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000187985373 328426653 /nfs/dbraw/zinc/42/66/53/328426653.db2.gz KNGNNEMKBUALRY-CABZTGNLSA-N 0 3 285.771 2.305 20 10 CECDHN Cc1cccc(C[NH2+]C2(CO)Cc3ccccc3C2)c1[O-] ZINC000360058368 329070757 /nfs/dbraw/zinc/07/07/57/329070757.db2.gz MLZIHGUYAQCKKE-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN C[C@@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000211568715 333091416 /nfs/dbraw/zinc/09/14/16/333091416.db2.gz CBSUAOHFZPUPPT-UKRRQHHQSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000211568715 333091417 /nfs/dbraw/zinc/09/14/17/333091417.db2.gz CBSUAOHFZPUPPT-UKRRQHHQSA-N 0 3 260.381 2.451 20 10 CECDHN COc1cccc(C[NH2+][C@@H](CCO)C(C)(C)C)c1[O-] ZINC000231074205 333324025 /nfs/dbraw/zinc/32/40/25/333324025.db2.gz NQNGIFHXDSJAFX-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN COC(=O)C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000264421304 334678976 /nfs/dbraw/zinc/67/89/76/334678976.db2.gz RCJFOXQKLZWNKK-UHFFFAOYSA-N 0 3 263.337 2.214 20 10 CECDHN CCN(C)C(=O)CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000274748902 520176385 /nfs/dbraw/zinc/17/63/85/520176385.db2.gz AENPNYDHHVXFAH-LBPRGKRZSA-N 0 3 264.369 2.138 20 10 CECDHN CC(C)C[C@@H](CN(C)C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880109 519776101 /nfs/dbraw/zinc/77/61/01/519776101.db2.gz JHVGXCGYFFUGQS-ZDUSSCGKSA-N 0 3 294.395 2.187 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC(C)(C)O)c1 ZINC000274786926 521151580 /nfs/dbraw/zinc/15/15/80/521151580.db2.gz XFGDZPFZIOGWAY-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CCOc1cccc(C[NH2+]CCc2nnc(C)s2)c1[O-] ZINC000289831535 521366072 /nfs/dbraw/zinc/36/60/72/521366072.db2.gz MQRCVBLCLQJGHO-UHFFFAOYSA-N 0 3 293.392 2.283 20 10 CECDHN CCOC(CC[NH2+]Cc1ccccc1[O-])OCC ZINC000228415144 521629930 /nfs/dbraw/zinc/62/99/30/521629930.db2.gz PHWWFTBFBKOUKE-UHFFFAOYSA-N 0 3 253.342 2.271 20 10 CECDHN CN(C)c1ccc(CN2[C@@H]3CC[C@H]2CC(O)C3)cc1F ZINC000126625914 522185901 /nfs/dbraw/zinc/18/59/01/522185901.db2.gz ODAFCDLGKMIJGT-PBWFPOADSA-N 0 3 278.371 2.379 20 10 CECDHN CC[C@@H](CSC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000163873131 522612597 /nfs/dbraw/zinc/61/25/97/522612597.db2.gz UMIGJSCYXXFRQN-JTQLQIEISA-N 0 3 269.366 2.352 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000289630394 522772159 /nfs/dbraw/zinc/77/21/59/522772159.db2.gz WUHBNXGSYKISRR-UHFFFAOYSA-N 0 3 265.353 2.380 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)Cn1cncn1)c1ccc(C)cc1[O-] ZINC000280263814 522936442 /nfs/dbraw/zinc/93/64/42/522936442.db2.gz XJJHEXLGXUUGKH-TZMCWYRMSA-N 0 3 274.368 2.422 20 10 CECDHN CC[C@@H]([NH2+][C@H]1COC[C@@H]1OC)c1ccc(C)cc1[O-] ZINC000290117168 522954412 /nfs/dbraw/zinc/95/44/12/522954412.db2.gz JACBOJSUWBZUGS-IPYPFGDCSA-N 0 3 265.353 2.155 20 10 CECDHN COc1ccc(CNCC2([S@@](C)=O)CCC2)cc1C ZINC000280626428 524069678 /nfs/dbraw/zinc/06/96/78/524069678.db2.gz LOZAGSUSPPDLAE-LJQANCHMSA-N 0 3 281.421 2.394 20 10 CECDHN Cc1cccc(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000277039112 524406496 /nfs/dbraw/zinc/40/64/96/524406496.db2.gz NOSKUMRJZFJCCW-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN Cc1cccc(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1[O-] ZINC000277039112 524406504 /nfs/dbraw/zinc/40/65/04/524406504.db2.gz NOSKUMRJZFJCCW-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000293387641 524748433 /nfs/dbraw/zinc/74/84/33/524748433.db2.gz ISPHMYNNJISUTK-QWRGUYRKSA-N 0 3 254.349 2.380 20 10 CECDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000042879410 525432982 /nfs/dbraw/zinc/43/29/82/525432982.db2.gz XVDYHZIHCKESRE-JTQLQIEISA-N 0 3 272.304 2.367 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCC(=O)N(C)C)c([O-])c1C ZINC000273364176 525725338 /nfs/dbraw/zinc/72/53/38/525725338.db2.gz AXXOQCKIHYFSJW-GFCCVEGCSA-N 0 3 264.369 2.138 20 10 CECDHN COc1cccc(C[NH2+]C[C@](C)(O)c2cccs2)c1[O-] ZINC000265780943 526023955 /nfs/dbraw/zinc/02/39/55/526023955.db2.gz OKAVDXNTDUJBRB-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000275713175 527471764 /nfs/dbraw/zinc/47/17/64/527471764.db2.gz YMIAQDKZYSLKQZ-ZFWWWQNUSA-N 0 3 287.363 2.136 20 10 CECDHN COC(=O)C1CCC([NH2+]Cc2c([O-])cccc2OC)CC1 ZINC000730107493 574501901 /nfs/dbraw/zinc/50/19/01/574501901.db2.gz MEHJCXSQVLKOOC-UHFFFAOYSA-N 0 3 293.363 2.222 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCSC2)c([O-])c1 ZINC000742383072 575019297 /nfs/dbraw/zinc/01/92/97/575019297.db2.gz SMGLIQXAYMGZPB-NSHDSACASA-N 0 3 253.367 2.386 20 10 CECDHN CC[C@H](C(=O)NCc1cc(OC)ccc1O)N(CC)CC ZINC000750023274 575244122 /nfs/dbraw/zinc/24/41/22/575244122.db2.gz XCIPHGHBQKWFHY-CQSZACIVSA-N 0 3 294.395 2.137 20 10 CECDHN C/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247711 623324744 /nfs/dbraw/zinc/32/47/44/623324744.db2.gz UMGMOJLKGICFPP-LQYUOIDQSA-N 0 3 275.396 2.048 20 10 CECDHN COc1ccc(CNC[C@H](O)c2ccco2)cc1C ZINC000078879397 623708066 /nfs/dbraw/zinc/70/80/66/623708066.db2.gz JHEKZLKLDBQBOX-ZDUSSCGKSA-N 0 3 261.321 2.420 20 10 CECDHN CC(C)(CN1CCCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000308627786 623902845 /nfs/dbraw/zinc/90/28/45/623902845.db2.gz JDRPSJKMZDIXCS-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000743499719 624788015 /nfs/dbraw/zinc/78/80/15/624788015.db2.gz PVTZIAQXPLAPAF-JQWIXIFHSA-N 0 3 281.352 2.008 20 10 CECDHN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)ccc1[O-] ZINC000829208204 624839876 /nfs/dbraw/zinc/83/98/76/624839876.db2.gz GYGCUPPLXLMMQJ-UWVGGRQHSA-N 0 3 253.317 2.343 20 10 CECDHN COc1ccc(C[NH2+]C[C@](C)(OC)C2CC2)c([O-])c1 ZINC000311629228 627683342 /nfs/dbraw/zinc/68/33/42/627683342.db2.gz YTJMXMSBZYBEJT-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000311741988 627695367 /nfs/dbraw/zinc/69/53/67/627695367.db2.gz BKIAIBGGXITVES-PWSUYJOCSA-N 0 3 271.332 2.233 20 10 CECDHN C[NH2+]C[C@H]1CCCN1Cc1cc(Br)ccc1[O-] ZINC000220321675 628825058 /nfs/dbraw/zinc/82/50/58/628825058.db2.gz MGQNPZZPDBXDOW-GFCCVEGCSA-N 0 3 299.212 2.339 20 10 CECDHN CCn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])c(C)n1 ZINC000894185437 629197403 /nfs/dbraw/zinc/19/74/03/629197403.db2.gz NWCCDPBXCCKIDK-UHFFFAOYSA-N 0 3 275.352 2.215 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccc(C)cc1[O-] ZINC000794810577 629326342 /nfs/dbraw/zinc/32/63/42/629326342.db2.gz LWONYQYUTMRRJN-PWSUYJOCSA-N 0 3 250.342 2.005 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794819664 629327201 /nfs/dbraw/zinc/32/72/01/629327201.db2.gz XBGHBDVXSJFHAL-DGCLKSJQSA-N 0 3 285.409 2.174 20 10 CECDHN CC(C)(C)NC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000312651264 629343600 /nfs/dbraw/zinc/34/36/00/629343600.db2.gz FNLNXBKJSVPHAC-LBPRGKRZSA-N 0 3 276.380 2.274 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)[C@H](O)CO2 ZINC000902654438 634759647 /nfs/dbraw/zinc/75/96/47/634759647.db2.gz MIJNPPHXCUEMKI-JRPNMDOOSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)[C@H](O)CO2 ZINC000902654438 634759650 /nfs/dbraw/zinc/75/96/50/634759650.db2.gz MIJNPPHXCUEMKI-JRPNMDOOSA-N 0 3 275.348 2.050 20 10 CECDHN COC(=O)C[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000896470452 630569724 /nfs/dbraw/zinc/56/97/24/630569724.db2.gz RIBSXCAQWXTILB-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1C ZINC000896470452 630569727 /nfs/dbraw/zinc/56/97/27/630569727.db2.gz RIBSXCAQWXTILB-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN CC(C)N1CCC([NH2+]Cc2c([O-])cccc2F)CC1 ZINC000896637490 630620422 /nfs/dbraw/zinc/62/04/22/630620422.db2.gz NHGCCLCDQJBLKE-UHFFFAOYSA-N 0 3 266.360 2.494 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2F)CCN1C ZINC000896637383 630620848 /nfs/dbraw/zinc/62/08/48/630620848.db2.gz JPWRPQLMFIETTO-GHMZBOCLSA-N 0 3 252.333 2.104 20 10 CECDHN CCN1CCC[C@@H](NCc2ccc(N(C)C)cc2C)C1=O ZINC000896728554 630650132 /nfs/dbraw/zinc/65/01/32/630650132.db2.gz BGWSIHPKFXPDIN-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN CCOc1ccc(C[NH2+]C2(CN(C)C)CCC2)c([O-])c1 ZINC000798501459 630881234 /nfs/dbraw/zinc/88/12/34/630881234.db2.gz DEXOGCMPHOUNEJ-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN Cn1nc(C2CC2)cc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000897223995 631000614 /nfs/dbraw/zinc/00/06/14/631000614.db2.gz DMSODVNZGIJSFF-UHFFFAOYSA-N 0 3 275.327 2.432 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCN(C)C2)c1[O-] ZINC000228671964 631213908 /nfs/dbraw/zinc/21/39/08/631213908.db2.gz WPDIWFNVPHYGKM-GFCCVEGCSA-N 0 3 284.787 2.238 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843105607 631636519 /nfs/dbraw/zinc/63/65/19/631636519.db2.gz SHLUXBRHTZXHFF-BETUJISGSA-N 0 3 266.772 2.372 20 10 CECDHN Cn1cnc(CNCCCSc2nccs2)c1 ZINC000808388166 631954944 /nfs/dbraw/zinc/95/49/44/631954944.db2.gz CCUCHMYLYIHNOP-UHFFFAOYSA-N 0 3 268.411 2.149 20 10 CECDHN COC(=O)C[C@@H]([NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000897888483 631962446 /nfs/dbraw/zinc/96/24/46/631962446.db2.gz CEDOIUQQIWLMQV-CYBMUJFWSA-N 0 3 265.353 2.460 20 10 CECDHN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccc3[O-])[C@@H]2C1 ZINC000808445182 631963517 /nfs/dbraw/zinc/96/35/17/631963517.db2.gz AIIWYUARLCKPMM-ARFHVFGLSA-N 0 3 288.391 2.129 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2(CO)COC2)c1[O-] ZINC000808708027 632002571 /nfs/dbraw/zinc/00/25/71/632002571.db2.gz FMLPNCVIAODTHN-SNVBAGLBSA-N 0 3 285.771 2.014 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000808708174 632003298 /nfs/dbraw/zinc/00/32/98/632003298.db2.gz IZTVRFNZKCYAAV-IINYFYTJSA-N 0 3 285.771 2.156 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000898202423 632083406 /nfs/dbraw/zinc/08/34/06/632083406.db2.gz BDTXVPJQXFNHKF-LBPRGKRZSA-N 0 3 285.771 2.305 20 10 CECDHN CCOC1CC([N@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000809773477 632144436 /nfs/dbraw/zinc/14/44/36/632144436.db2.gz DJAXYFNMBTXQFR-UHFFFAOYSA-N 0 3 265.353 2.400 20 10 CECDHN CCOC1CC([N@@H+](C)Cc2c([O-])cccc2OC)C1 ZINC000809773477 632144440 /nfs/dbraw/zinc/14/44/40/632144440.db2.gz DJAXYFNMBTXQFR-UHFFFAOYSA-N 0 3 265.353 2.400 20 10 CECDHN CCCC[N@H+](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000811583511 632403785 /nfs/dbraw/zinc/40/37/85/632403785.db2.gz LBAARMLLGVZNHO-JTQLQIEISA-N 0 3 270.398 2.304 20 10 CECDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000811583511 632403787 /nfs/dbraw/zinc/40/37/87/632403787.db2.gz LBAARMLLGVZNHO-JTQLQIEISA-N 0 3 270.398 2.304 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCO[C@H]1CCCCO1 ZINC000813333330 632672156 /nfs/dbraw/zinc/67/21/56/632672156.db2.gz LOHHWWVCKCEWDX-AWEZNQCLSA-N 0 3 269.316 2.164 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]C2COCCOC2)c2c1c(F)ccc2[O-] ZINC000813879002 632752091 /nfs/dbraw/zinc/75/20/91/632752091.db2.gz IFVXTIBXSOJOOD-BXKDBHETSA-N 0 3 281.327 2.085 20 10 CECDHN COC1([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000817419261 633655783 /nfs/dbraw/zinc/65/57/83/633655783.db2.gz FCQKFVIDKSBUNV-LLVKDONJSA-N 0 3 283.343 2.205 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1c[nH]cn1 ZINC000900399211 633700961 /nfs/dbraw/zinc/70/09/61/633700961.db2.gz BGPHNPUELHKSIV-UHFFFAOYSA-N 0 3 286.379 2.067 20 10 CECDHN CC(C)[NH2+]CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817952249 633795855 /nfs/dbraw/zinc/79/58/55/633795855.db2.gz CXSRYLCBSSWQJY-NSHDSACASA-N 0 3 281.356 2.339 20 10 CECDHN C[C@H]1C[C@@H](NCCc2ccc(N)cc2)c2nccn21 ZINC000817957801 633799334 /nfs/dbraw/zinc/79/93/34/633799334.db2.gz PGFAYDPOPIXJAG-SMDDNHRTSA-N 0 3 256.353 2.303 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972631 633815942 /nfs/dbraw/zinc/81/59/42/633815942.db2.gz YVPDWSDZUXVXDP-GMTAPVOTSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972631 633815949 /nfs/dbraw/zinc/81/59/49/633815949.db2.gz YVPDWSDZUXVXDP-GMTAPVOTSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817984678 633826655 /nfs/dbraw/zinc/82/66/55/633826655.db2.gz XHCDINJMQCJRCB-KOLCDFICSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817984678 633826659 /nfs/dbraw/zinc/82/66/59/633826659.db2.gz XHCDINJMQCJRCB-KOLCDFICSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H](NCCC[NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817984780 633828237 /nfs/dbraw/zinc/82/82/37/633828237.db2.gz ZWXZCMQDOKQYTQ-SECBINFHSA-N 0 3 270.323 2.463 20 10 CECDHN O[C@@H](CNCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000819096546 634067311 /nfs/dbraw/zinc/06/73/11/634067311.db2.gz QEOONSGSQKGBTP-ZDUSSCGKSA-N 0 3 286.297 2.076 20 10 CECDHN COc1cccc(CN2CC(CC(F)F)C2)c1O ZINC000822520889 634934357 /nfs/dbraw/zinc/93/43/57/634934357.db2.gz RCJRZQXCODTZGK-UHFFFAOYSA-N 0 3 257.280 2.488 20 10 CECDHN COc1ccc(CN[C@H]2CNCCC2(F)F)cc1C ZINC000841075657 634996727 /nfs/dbraw/zinc/99/67/27/634996727.db2.gz UELLQKUIRFXWPX-ZDUSSCGKSA-N 0 3 270.323 2.090 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000903299191 635046435 /nfs/dbraw/zinc/04/64/35/635046435.db2.gz HIGAPYSIQGGLOT-XIDUGBJDSA-N 0 3 295.354 2.473 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000903342993 635070482 /nfs/dbraw/zinc/07/04/82/635070482.db2.gz LVQTXLRGEYTREO-CABCVRRESA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000903342994 635070592 /nfs/dbraw/zinc/07/05/92/635070592.db2.gz LVQTXLRGEYTREO-GJZGRUSLSA-N 0 3 292.423 2.462 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000824708882 635481698 /nfs/dbraw/zinc/48/16/98/635481698.db2.gz KZFHZAWRZCCVIX-SMDDNHRTSA-N 0 3 299.798 2.495 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124604 635573704 /nfs/dbraw/zinc/57/37/04/635573704.db2.gz TZSAZKXYJZJPMQ-JQWIXIFHSA-N 0 3 275.270 2.137 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124604 635573708 /nfs/dbraw/zinc/57/37/08/635573708.db2.gz TZSAZKXYJZJPMQ-JQWIXIFHSA-N 0 3 275.270 2.137 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C(=O)OC)c([O-])c1 ZINC000827844387 636441346 /nfs/dbraw/zinc/44/13/46/636441346.db2.gz NBTKPCDMEGVYBO-UONOGXRCSA-N 0 3 293.363 2.222 20 10 CECDHN CCCNC(=O)C1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876561637 650329977 /nfs/dbraw/zinc/32/99/77/650329977.db2.gz QABIYFIHDLMGCN-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000876578796 650343542 /nfs/dbraw/zinc/34/35/42/650343542.db2.gz BLHVMMQBFFAKOO-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834562669 637868156 /nfs/dbraw/zinc/86/81/56/637868156.db2.gz UYGPOJZGWYVXJM-HUUCEWRRSA-N 0 3 290.407 2.080 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOc1cccnc1)CC2 ZINC000834585155 637881686 /nfs/dbraw/zinc/88/16/86/637881686.db2.gz HLOYGSFZFNMPDX-AWEZNQCLSA-N 0 3 270.332 2.443 20 10 CECDHN O=C(NCCC[NH2+][C@H]1CCc2cccc([O-])c21)C1CCC1 ZINC000834675651 637915481 /nfs/dbraw/zinc/91/54/81/637915481.db2.gz KNQHITIKHIUZRB-AWEZNQCLSA-N 0 3 288.391 2.276 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000834880661 637977241 /nfs/dbraw/zinc/97/72/41/637977241.db2.gz ASQCXFWDNHIMPA-TYNCELHUSA-N 0 3 265.353 2.094 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)c([O-])c1 ZINC000834888021 637978651 /nfs/dbraw/zinc/97/86/51/637978651.db2.gz CIVVIWWLSSGBLZ-KFWWJZLASA-N 0 3 290.407 2.214 20 10 CECDHN CN(C)c1ccc(/C=C\CNCC2(C)OCCO2)cc1 ZINC000835041410 638034853 /nfs/dbraw/zinc/03/48/53/638034853.db2.gz LKKIMBPJAHDNGN-PLNGDYQASA-N 0 3 276.380 2.118 20 10 CECDHN CCNC(=O)C(C)(C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835076610 638049610 /nfs/dbraw/zinc/04/96/10/638049610.db2.gz SNCGDNGMGAGOHR-FPLPWBNLSA-N 0 3 289.423 2.270 20 10 CECDHN Cc1ccc(C[NH+]2CCC(N3CCCC3=O)CC2)c([O-])c1 ZINC000876690887 650401586 /nfs/dbraw/zinc/40/15/86/650401586.db2.gz UOOKBNSFZXJRHT-UHFFFAOYSA-N 0 3 288.391 2.287 20 10 CECDHN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H](N)CCC(C)C)c1 ZINC000876878736 650469716 /nfs/dbraw/zinc/46/97/16/650469716.db2.gz JTGSRCXDJOOZKG-RISCZKNCSA-N 0 3 294.395 2.342 20 10 CECDHN Cc1ccc(CNCc2cccnc2N(C)C)c(O)c1 ZINC000876928574 650489489 /nfs/dbraw/zinc/48/94/89/650489489.db2.gz JGFHWYOROJPABW-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN COc1cc(C)nc(CNCc2ccccc2O)c1 ZINC000165380630 639425277 /nfs/dbraw/zinc/42/52/77/639425277.db2.gz FTRHZNWUOIRYRY-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC[C@H](C)NC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936271 639590930 /nfs/dbraw/zinc/59/09/30/639590930.db2.gz HYNJZFZFWNNGGL-UONOGXRCSA-N 0 3 291.439 2.454 20 10 CECDHN C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065228 639641334 /nfs/dbraw/zinc/64/13/34/639641334.db2.gz ZFOQCLZYMSMPLK-CABZTGNLSA-N 0 3 254.761 2.133 20 10 CECDHN COc1ccc(CN[C@@H]2CNCCC2(F)F)cc1C ZINC000841075652 639646148 /nfs/dbraw/zinc/64/61/48/639646148.db2.gz UELLQKUIRFXWPX-CYBMUJFWSA-N 0 3 270.323 2.090 20 10 CECDHN CC(C)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000228929751 639665922 /nfs/dbraw/zinc/66/59/22/639665922.db2.gz ILNVPJBTZVLAEC-STQMWFEESA-N 0 3 277.412 2.316 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000876996888 650525302 /nfs/dbraw/zinc/52/53/02/650525302.db2.gz HHRBYYIRVKFDFM-LBPRGKRZSA-N 0 3 278.352 2.021 20 10 CECDHN COc1cc(Cl)cc(CNCc2cnn(C)c2C)c1O ZINC000230935464 639805073 /nfs/dbraw/zinc/80/50/73/639805073.db2.gz ZPWHHQFYCTZCOU-UHFFFAOYSA-N 0 3 295.770 2.386 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]Cc2cnn(C)c2C)c1[O-] ZINC000230935464 639805078 /nfs/dbraw/zinc/80/50/78/639805078.db2.gz ZPWHHQFYCTZCOU-UHFFFAOYSA-N 0 3 295.770 2.386 20 10 CECDHN CC[C@@H](CN1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842146939 639965821 /nfs/dbraw/zinc/96/58/21/639965821.db2.gz FMRUTPUTVIUORV-HNNXBMFYSA-N 0 3 278.396 2.242 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000877049537 650548316 /nfs/dbraw/zinc/54/83/16/650548316.db2.gz GRFFXTQBOZMGMA-UONOGXRCSA-N 0 3 297.420 2.146 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1[O-] ZINC000842478595 640078451 /nfs/dbraw/zinc/07/84/51/640078451.db2.gz LDCOACARPABGLJ-GWCFXTLKSA-N 0 3 294.370 2.151 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCN(c3ccccn3)C2)c([O-])c1 ZINC000877121222 650581655 /nfs/dbraw/zinc/58/16/55/650581655.db2.gz LTETXLBSQDXVKB-HNNXBMFYSA-N 0 3 283.375 2.464 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000846187509 641215959 /nfs/dbraw/zinc/21/59/59/641215959.db2.gz ANALSRYRDFMGNL-LOWVWBTDSA-N 0 3 262.353 2.005 20 10 CECDHN COc1ccc(N2CCN(CC(C)C)CC2)c(OC)c1 ZINC000846745189 641408802 /nfs/dbraw/zinc/40/88/02/641408802.db2.gz DKQPEPXSXWYHPK-UHFFFAOYSA-N 0 3 278.396 2.482 20 10 CECDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@H](C)C(C)C)c1 ZINC000182406083 641655604 /nfs/dbraw/zinc/65/56/04/641655604.db2.gz MTXOGXRCCGHPTO-NEPJUHHUSA-N 0 3 294.395 2.212 20 10 CECDHN C[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccccc1[O-] ZINC000183602761 641770198 /nfs/dbraw/zinc/77/01/98/641770198.db2.gz FBXJBYUWLHHKHH-NSHDSACASA-N 0 3 285.409 2.256 20 10 CECDHN CCOC(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000081545515 641903091 /nfs/dbraw/zinc/90/30/91/641903091.db2.gz SWHUHZPZRLVYAC-NSHDSACASA-N 0 3 251.326 2.386 20 10 CECDHN CCC1(CO)CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000769469488 642135170 /nfs/dbraw/zinc/13/51/70/642135170.db2.gz ZEKHQDFAXPAZAT-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cc(O)c(CN2C[C@H](C)[C@@H]2C)cc1OC ZINC000816648689 642162033 /nfs/dbraw/zinc/16/20/33/642162033.db2.gz NOZVOTPBVISFNM-UWVGGRQHSA-N 0 3 251.326 2.250 20 10 CECDHN COc1ccc(CNC(=[NH2+])N2CCC[C@@H](C)C2)c([O-])c1 ZINC000849025151 642238598 /nfs/dbraw/zinc/23/85/98/642238598.db2.gz QBXRPYUKGBDTTC-LLVKDONJSA-N 0 3 277.368 2.157 20 10 CECDHN CS(=O)(=O)C1(C[NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000850376702 642689493 /nfs/dbraw/zinc/68/94/93/642689493.db2.gz KRTSSMICPGVCCR-UHFFFAOYSA-N 0 3 297.420 2.229 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCOC1(C)C ZINC000850409071 642703619 /nfs/dbraw/zinc/70/36/19/642703619.db2.gz JPCFJLSGEFTJJG-LLVKDONJSA-N 0 3 265.353 2.306 20 10 CECDHN CON(C)CC[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000850477459 642724752 /nfs/dbraw/zinc/72/47/52/642724752.db2.gz GVQMCJWIBLECKB-SNVBAGLBSA-N 0 3 272.776 2.498 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](OC)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000850485160 642728598 /nfs/dbraw/zinc/72/85/98/642728598.db2.gz YCDBVEORJZBNSN-IVMMDQJWSA-N 0 3 279.380 2.484 20 10 CECDHN CN(Cc1cc(=O)n2ccccc2n1)Cc1ccccc1O ZINC000109772867 642926184 /nfs/dbraw/zinc/92/61/84/642926184.db2.gz ZYSLATKOFWTDIO-UHFFFAOYSA-N 0 3 295.342 2.032 20 10 CECDHN CCN1CCC[C@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000922638028 643171827 /nfs/dbraw/zinc/17/18/27/643171827.db2.gz CQHKMQLTMDLQMZ-HNNXBMFYSA-N 0 3 288.391 2.112 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000877629338 650822536 /nfs/dbraw/zinc/82/25/36/650822536.db2.gz TXMSDVDUXIKXGN-MRXNPFEDSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000877629338 650822537 /nfs/dbraw/zinc/82/25/37/650822537.db2.gz TXMSDVDUXIKXGN-MRXNPFEDSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@](O)(C3CC3)C2)c([O-])c1 ZINC000877629576 650822638 /nfs/dbraw/zinc/82/26/38/650822638.db2.gz VYYSQCRUTAZZFE-INIZCTEOSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@](O)(C3CC3)C2)c([O-])c1 ZINC000877629576 650822642 /nfs/dbraw/zinc/82/26/42/650822642.db2.gz VYYSQCRUTAZZFE-INIZCTEOSA-N 0 3 261.365 2.438 20 10 CECDHN COc1ccc(O)c(CNCc2cnc(C3CC3)nc2)c1 ZINC000838946232 644078779 /nfs/dbraw/zinc/07/87/79/644078779.db2.gz BYSOMNSPMIVVQN-UHFFFAOYSA-N 0 3 285.347 2.358 20 10 CECDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])[C@H]1CCOC1 ZINC000877755579 650898834 /nfs/dbraw/zinc/89/88/34/650898834.db2.gz GKEYJPUYBQXPCU-XUJVJEKNSA-N 0 3 265.353 2.094 20 10 CECDHN C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758115 650900011 /nfs/dbraw/zinc/90/00/11/650900011.db2.gz JNEJWZZLYUNATF-AVGNSLFASA-N 0 3 276.380 2.490 20 10 CECDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758183 650900152 /nfs/dbraw/zinc/90/01/52/650900152.db2.gz LVXKAIMYSOWZSE-XRRVDJEJSA-N 0 3 263.337 2.240 20 10 CECDHN CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756344282 644632101 /nfs/dbraw/zinc/63/21/01/644632101.db2.gz SXLLIYFCAQYRFV-FXPVBKGRSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756395818 644643219 /nfs/dbraw/zinc/64/32/19/644643219.db2.gz JJNSDZCZXRILHF-YUSALJHKSA-N 0 3 292.354 2.338 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2[O-] ZINC000756769922 644690347 /nfs/dbraw/zinc/69/03/47/644690347.db2.gz RVRHNZKEOVTUJO-CMPLNLGQSA-N 0 3 264.344 2.375 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756780235 644691035 /nfs/dbraw/zinc/69/10/35/644691035.db2.gz XSJQCOYRFFDSGM-FOGDFJRCSA-N 0 3 283.343 2.067 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000758560555 644940281 /nfs/dbraw/zinc/94/02/81/644940281.db2.gz MRPGFZHGPXUWLX-CYBMUJFWSA-N 0 3 255.317 2.355 20 10 CECDHN CCC[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858134416 645071926 /nfs/dbraw/zinc/07/19/26/645071926.db2.gz BXIVMBMHQCOJIK-LLVKDONJSA-N 0 3 272.339 2.281 20 10 CECDHN C[NH+](C)[C@@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000760921071 645210787 /nfs/dbraw/zinc/21/07/87/645210787.db2.gz MFENKIURVKIAQY-SNVBAGLBSA-N 0 3 268.382 2.010 20 10 CECDHN CCOc1ccc(C[N@H+](C)CC2(O)CCC2)c([O-])c1 ZINC000761220833 645258914 /nfs/dbraw/zinc/25/89/14/645258914.db2.gz YUZFTFKWIQXJOF-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CC2(O)CCC2)c([O-])c1 ZINC000761220833 645258919 /nfs/dbraw/zinc/25/89/19/645258919.db2.gz YUZFTFKWIQXJOF-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000762504697 645422226 /nfs/dbraw/zinc/42/22/26/645422226.db2.gz VTPZCADTXBKAAW-FZMZJTMJSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@@H](CO)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000766920975 645937337 /nfs/dbraw/zinc/93/73/37/645937337.db2.gz WUICVIPUOWCRAS-UKRRQHHQSA-N 0 3 279.380 2.002 20 10 CECDHN C[C@@H](CO)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000766920975 645937339 /nfs/dbraw/zinc/93/73/39/645937339.db2.gz WUICVIPUOWCRAS-UKRRQHHQSA-N 0 3 279.380 2.002 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000767723303 646034106 /nfs/dbraw/zinc/03/41/06/646034106.db2.gz NFXVEQUPSBBGQW-OAHLLOKOSA-N 0 3 291.322 2.363 20 10 CECDHN CCOC(=O)C1CCN(Cc2c(O)cccc2OC)CC1 ZINC000768138475 646089770 /nfs/dbraw/zinc/08/97/70/646089770.db2.gz WZOVGUKQMGIELY-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000768231546 646099075 /nfs/dbraw/zinc/09/90/75/646099075.db2.gz VWCGEQNMOBYWFS-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000768231546 646099078 /nfs/dbraw/zinc/09/90/78/646099078.db2.gz VWCGEQNMOBYWFS-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN COc1cc(O)c(CN2CCCOC[C@@H]2C)cc1OC ZINC000768462939 646127055 /nfs/dbraw/zinc/12/70/55/646127055.db2.gz OZXQJNNKIPHMGF-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464966 646127743 /nfs/dbraw/zinc/12/77/43/646127743.db2.gz CYFPAXZRQTYXBI-JVLSTEMRSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464966 646127746 /nfs/dbraw/zinc/12/77/46/646127746.db2.gz CYFPAXZRQTYXBI-JVLSTEMRSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465620 646128405 /nfs/dbraw/zinc/12/84/05/646128405.db2.gz JCRAVYHGFYBPGT-SMDDNHRTSA-N 0 3 295.404 2.145 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000768465620 646128408 /nfs/dbraw/zinc/12/84/08/646128408.db2.gz JCRAVYHGFYBPGT-SMDDNHRTSA-N 0 3 295.404 2.145 20 10 CECDHN CCOCC[N@H+](CC)Cc1c([O-])cccc1OC ZINC000769138906 646214014 /nfs/dbraw/zinc/21/40/14/646214014.db2.gz CMVZEKQDZVFSSI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOCC[N@@H+](CC)Cc1c([O-])cccc1OC ZINC000769138906 646214021 /nfs/dbraw/zinc/21/40/21/646214021.db2.gz CMVZEKQDZVFSSI-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000769318099 646243937 /nfs/dbraw/zinc/24/39/37/646243937.db2.gz INRCQAYWEVZYMC-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCO[C@@H](C)C1 ZINC000769318099 646243941 /nfs/dbraw/zinc/24/39/41/646243941.db2.gz INRCQAYWEVZYMC-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1cccc(CN2CCSC[C@@H]2CCO)c1O ZINC000770305714 646377955 /nfs/dbraw/zinc/37/79/55/646377955.db2.gz JIYZEODFKBBEHM-ZDUSSCGKSA-N 0 3 297.420 2.091 20 10 CECDHN CCOc1cccc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862477601 646473360 /nfs/dbraw/zinc/47/33/60/646473360.db2.gz NZGJCENQHTYJPC-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862477601 646473366 /nfs/dbraw/zinc/47/33/66/646473366.db2.gz NZGJCENQHTYJPC-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000771935085 646572987 /nfs/dbraw/zinc/57/29/87/646572987.db2.gz KTWSIRJLSPGUBZ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000771935085 646572992 /nfs/dbraw/zinc/57/29/92/646572992.db2.gz KTWSIRJLSPGUBZ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(F)cc1[O-] ZINC000863546637 646753819 /nfs/dbraw/zinc/75/38/19/646753819.db2.gz MBVUPWOYGJDFRM-JFGNBEQYSA-N 0 3 252.333 2.322 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]1C(=O)NC)c1ccccc1[O-] ZINC000775523915 646962597 /nfs/dbraw/zinc/96/25/97/646962597.db2.gz BAWQNVOWYZOJAP-HZSPNIEDSA-N 0 3 276.380 2.348 20 10 CECDHN CC[C@H]([NH2+]CCc1nncn1CC)c1ccccc1[O-] ZINC000775522843 646962634 /nfs/dbraw/zinc/96/26/34/646962634.db2.gz BXFMHOSCYKVATD-ZDUSSCGKSA-N 0 3 274.368 2.287 20 10 CECDHN CC[C@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000775551296 646964968 /nfs/dbraw/zinc/96/49/68/646964968.db2.gz LZNMFBUBJPAWQW-LSDHHAIUSA-N 0 3 279.380 2.220 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000779152976 647292679 /nfs/dbraw/zinc/29/26/79/647292679.db2.gz IQENZDYLVIXXGS-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000779152976 647292680 /nfs/dbraw/zinc/29/26/80/647292680.db2.gz IQENZDYLVIXXGS-JSGCOSHPSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)[C@H](O)C(F)(F)F ZINC000865710588 647432149 /nfs/dbraw/zinc/43/21/49/647432149.db2.gz CBZYKNXSRQOMEQ-CABZTGNLSA-N 0 3 276.302 2.154 20 10 CECDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c([O-])cccc1OC ZINC000865871331 647513852 /nfs/dbraw/zinc/51/38/52/647513852.db2.gz BPVSKBJSCQSOGO-MNOVXSKESA-N 0 3 253.342 2.040 20 10 CECDHN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783506572 647722598 /nfs/dbraw/zinc/72/25/98/647722598.db2.gz YMDXVPKJKNECDE-NEPJUHHUSA-N 0 3 257.337 2.464 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000784641320 647870965 /nfs/dbraw/zinc/87/09/65/647870965.db2.gz XKDNJWVPEOVHPS-NHYWBVRUSA-N 0 3 265.353 2.448 20 10 CECDHN CCn1cccc(CNCc2ccc(OC)c(C)c2)c1=O ZINC000788524405 648198668 /nfs/dbraw/zinc/19/86/68/648198668.db2.gz MYXROLKPPPOXPP-UHFFFAOYSA-N 0 3 286.375 2.475 20 10 CECDHN C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790668899 648439881 /nfs/dbraw/zinc/43/98/81/648439881.db2.gz OSBZCCDLPRHDPP-TXEJJXNPSA-N 0 3 292.379 2.091 20 10 CECDHN C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790668899 648439887 /nfs/dbraw/zinc/43/98/87/648439887.db2.gz OSBZCCDLPRHDPP-TXEJJXNPSA-N 0 3 292.379 2.091 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(OC)C1 ZINC000793215599 648725049 /nfs/dbraw/zinc/72/50/49/648725049.db2.gz CEOZCUXPBIEYJB-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](C)(OC)C1 ZINC000793215599 648725051 /nfs/dbraw/zinc/72/50/51/648725051.db2.gz CEOZCUXPBIEYJB-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000794657565 648899922 /nfs/dbraw/zinc/89/99/22/648899922.db2.gz BGXPSEDQKSTCAO-RHSMWYFYSA-N 0 3 291.391 2.389 20 10 CECDHN COCCC1([NH2+]Cc2cccc(Cl)c2[O-])CCNCC1 ZINC000873224741 649597649 /nfs/dbraw/zinc/59/76/49/649597649.db2.gz JHIUTRHIGNCJNQ-UHFFFAOYSA-N 0 3 298.814 2.294 20 10 CECDHN Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647648 651334930 /nfs/dbraw/zinc/33/49/30/651334930.db2.gz HFLCFMXWBGPTPR-LLVKDONJSA-N 0 3 278.377 2.275 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)c1ccccc1[O-] ZINC000879650858 651335606 /nfs/dbraw/zinc/33/56/06/651335606.db2.gz UHBPITKWCFLNLB-DTWKUNHWSA-N 0 3 263.259 2.356 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883366673 652445855 /nfs/dbraw/zinc/44/58/55/652445855.db2.gz YDSXVZILEJAROY-SECBINFHSA-N 0 3 285.212 2.040 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CC1CC1 ZINC000884113138 652713560 /nfs/dbraw/zinc/71/35/60/652713560.db2.gz HGUGHTSCSXVRSD-AWEZNQCLSA-N 0 3 276.380 2.258 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000134228731 652796240 /nfs/dbraw/zinc/79/62/40/652796240.db2.gz AUQJCNLNKDFGTE-HNNXBMFYSA-N 0 3 261.296 2.355 20 10 CECDHN Cc1cc([O-])c(CN2CCC[NH2+]CC2)cc1Br ZINC001204685209 806066773 /nfs/dbraw/zinc/06/67/73/806066773.db2.gz XHMPFRAYSWVOFQ-UHFFFAOYSA-N 0 3 299.212 2.258 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056257 802549093 /nfs/dbraw/zinc/54/90/93/802549093.db2.gz OHVATKINRACXSV-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC001140056257 802549098 /nfs/dbraw/zinc/54/90/98/802549098.db2.gz OHVATKINRACXSV-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC001140057731 802550082 /nfs/dbraw/zinc/55/00/82/802550082.db2.gz LJOAXTFMIMDZBC-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC001140057731 802550090 /nfs/dbraw/zinc/55/00/90/802550090.db2.gz LJOAXTFMIMDZBC-GXFFZTMASA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1cc(Cl)ccc1CN1CC[NH+]2CCC1CC2 ZINC001140464870 802946045 /nfs/dbraw/zinc/94/60/45/802946045.db2.gz DFOLUYKPGQJJEF-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccccc1[O-] ZINC000722362085 804383438 /nfs/dbraw/zinc/38/34/38/804383438.db2.gz XCWNRRRNTFHBIH-UONOGXRCSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000037163201 815021442 /nfs/dbraw/zinc/02/14/42/815021442.db2.gz CNXJONOWSYQJEV-SNVBAGLBSA-N 0 3 283.331 2.413 20 10 CECDHN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1cc(F)ccc1[O-] ZINC000716660815 815139151 /nfs/dbraw/zinc/13/91/51/815139151.db2.gz LDDQBCWBLSIYKZ-WRWORJQWSA-N 0 3 263.259 2.198 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1[O-] ZINC000716775031 815146351 /nfs/dbraw/zinc/14/63/51/815146351.db2.gz PSNRITTVXIRHTF-ZYHUDNBSSA-N 0 3 259.296 2.449 20 10 CECDHN [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@@H](O)C1 ZINC001237121052 808194003 /nfs/dbraw/zinc/19/40/03/808194003.db2.gz KBSQDKBOGSWNTC-MRVPVSSYSA-N 0 3 259.708 2.141 20 10 CECDHN [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC001237121052 808194009 /nfs/dbraw/zinc/19/40/09/808194009.db2.gz KBSQDKBOGSWNTC-MRVPVSSYSA-N 0 3 259.708 2.141 20 10 CECDHN CC[C@@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000693481899 808858498 /nfs/dbraw/zinc/85/84/98/808858498.db2.gz VFYBCRMXBOXJDU-CYBMUJFWSA-N 0 3 297.420 2.400 20 10 CECDHN CCN1CC[C@H](N[C@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678819 809933055 /nfs/dbraw/zinc/93/30/55/809933055.db2.gz BOVLLJOATXZOBR-DOMZBBRYSA-N 0 3 275.396 2.024 20 10 CECDHN C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001276373804 810759799 /nfs/dbraw/zinc/75/97/99/810759799.db2.gz JRHJYCBPHYVCPG-GASCZTMLSA-N 0 3 268.360 2.434 20 10 CECDHN C[N@@H+]1C[C@H]2C[C@@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001276373804 810759805 /nfs/dbraw/zinc/75/98/05/810759805.db2.gz JRHJYCBPHYVCPG-GASCZTMLSA-N 0 3 268.360 2.434 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035532 811347477 /nfs/dbraw/zinc/34/74/77/811347477.db2.gz BXXPYKBOIQOBCX-DGCLKSJQSA-N 0 3 264.325 2.269 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035532 811347488 /nfs/dbraw/zinc/34/74/88/811347488.db2.gz BXXPYKBOIQOBCX-DGCLKSJQSA-N 0 3 264.325 2.269 20 10 CECDHN COC(=O)[C@H]1CCC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624563 815485880 /nfs/dbraw/zinc/48/58/80/815485880.db2.gz SFWICYQNUZFTLY-UONOGXRCSA-N 0 3 289.375 2.482 20 10 CECDHN COC(=O)[C@H]1CCC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001172624563 815485883 /nfs/dbraw/zinc/48/58/83/815485883.db2.gz SFWICYQNUZFTLY-UONOGXRCSA-N 0 3 289.375 2.482 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000384542043 812429909 /nfs/dbraw/zinc/42/99/09/812429909.db2.gz FAFGOTCUDYTRMO-OUJBWJOFSA-N 0 3 251.326 2.056 20 10 CECDHN C[C@@H](NC(=O)NC[C@@H]1CCCCN1C)c1ccccc1O ZINC001123746857 815551738 /nfs/dbraw/zinc/55/17/38/815551738.db2.gz NAFHYKFROSFPIO-OLZOCXBDSA-N 0 3 291.395 2.237 20 10 CECDHN COc1cccc2c1C[C@@H]([NH2+]Cc1ccccc1[O-])CO2 ZINC001173143658 815603395 /nfs/dbraw/zinc/60/33/95/815603395.db2.gz BYHYTJVNHJJIRK-CYBMUJFWSA-N 0 3 285.343 2.494 20 10 CECDHN COCC[C@H](COC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389172941 813248171 /nfs/dbraw/zinc/24/81/71/813248171.db2.gz LOCLEEBPWONXNI-CHWSQXEVSA-N 0 3 265.353 2.021 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000396522309 813572058 /nfs/dbraw/zinc/57/20/58/813572058.db2.gz GVWBFRUSSPVGPK-NSHDSACASA-N 0 3 251.326 2.058 20 10 CECDHN CC(C)[N@@H+](Cc1c([O-])cc(O)cc1O)CC1CC1 ZINC001144509078 814097293 /nfs/dbraw/zinc/09/72/93/814097293.db2.gz KIPZEBUKFBSFGT-UHFFFAOYSA-N 0 3 251.326 2.424 20 10 CECDHN CC(C)[N@H+](Cc1c([O-])cc(O)cc1O)CC1CC1 ZINC001144509078 814097300 /nfs/dbraw/zinc/09/73/00/814097300.db2.gz KIPZEBUKFBSFGT-UHFFFAOYSA-N 0 3 251.326 2.424 20 10 CECDHN COc1ccc(C[NH2+][C@H]2C[C@@H](OC)C23CCC3)c([O-])c1 ZINC000713480346 814858228 /nfs/dbraw/zinc/85/82/28/814858228.db2.gz HRFXCZQJGRTXCJ-LSDHHAIUSA-N 0 3 277.364 2.448 20 10 CECDHN O=c1[nH]cccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000714954664 814923044 /nfs/dbraw/zinc/92/30/44/814923044.db2.gz WAAYPLMBWMIVTP-LBPRGKRZSA-N 0 3 256.305 2.270 20 10 CECDHN Cc1c(CN2CC3(CC(O)C3)C2)c2ccccc2n1C ZINC001138252659 815754573 /nfs/dbraw/zinc/75/45/73/815754573.db2.gz OYZSPWRISPBKRO-UHFFFAOYSA-N 0 3 270.376 2.443 20 10 CECDHN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140057614 816179061 /nfs/dbraw/zinc/17/90/61/816179061.db2.gz HZVIUZXFDOTWDL-GHMZBOCLSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140057614 816179066 /nfs/dbraw/zinc/17/90/66/816179066.db2.gz HZVIUZXFDOTWDL-GHMZBOCLSA-N 0 3 253.317 2.124 20 10 CECDHN COCC[N@H+](Cc1cc(F)ccc1[O-])C1CCN(C)CC1 ZINC001140055577 816179090 /nfs/dbraw/zinc/17/90/90/816179090.db2.gz LMZXUGGBFTUDJO-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN COCC[N@@H+](Cc1cc(F)ccc1[O-])C1CCN(C)CC1 ZINC001140055577 816179092 /nfs/dbraw/zinc/17/90/92/816179092.db2.gz LMZXUGGBFTUDJO-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC001140055093 816179515 /nfs/dbraw/zinc/17/95/15/816179515.db2.gz HYBNBMIRQXCDTF-ZWNOBZJWSA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC001140055093 816179518 /nfs/dbraw/zinc/17/95/18/816179518.db2.gz HYBNBMIRQXCDTF-ZWNOBZJWSA-N 0 3 281.327 2.305 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001140948109 816422663 /nfs/dbraw/zinc/42/26/63/816422663.db2.gz UBJNPLKAPHNYSM-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@](F)(CO)CC2)c([O-])c1 ZINC001140948109 816422665 /nfs/dbraw/zinc/42/26/65/816422665.db2.gz UBJNPLKAPHNYSM-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN COC(=O)CC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140951124 816423792 /nfs/dbraw/zinc/42/37/92/816423792.db2.gz ZRRHXCDGFHLDBN-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140951124 816423800 /nfs/dbraw/zinc/42/38/00/816423800.db2.gz ZRRHXCDGFHLDBN-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc(O)c(CN2CCCO[C@@H](C)C2)c(OC)c1 ZINC001141031564 816451531 /nfs/dbraw/zinc/45/15/31/816451531.db2.gz HZAVJMPXTXBOAS-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc(O)c(CN2CCC(F)CC2)c(OC)c1 ZINC001141032099 816451986 /nfs/dbraw/zinc/45/19/86/816451986.db2.gz SBLSPYIRLRCVOM-UHFFFAOYSA-N 0 3 269.316 2.343 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC(F)CC2)c(OC)c1 ZINC001141032099 816451988 /nfs/dbraw/zinc/45/19/88/816451988.db2.gz SBLSPYIRLRCVOM-UHFFFAOYSA-N 0 3 269.316 2.343 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCCCC2)c(OC)c1 ZINC001141032129 816452189 /nfs/dbraw/zinc/45/21/89/816452189.db2.gz UAVKHAUAXSBACV-UHFFFAOYSA-N 0 3 251.326 2.395 20 10 CECDHN C[C@@H]1CN(Cc2ccc3c(c2)OCCN3C)CCCO1 ZINC001141141027 816484872 /nfs/dbraw/zinc/48/48/72/816484872.db2.gz SIBQPMJIEQWAIW-CYBMUJFWSA-N 0 3 276.380 2.126 20 10 CECDHN CN1CCOc2cc(CN3CCC[C@]4(CCO4)C3)ccc21 ZINC001141143701 816485519 /nfs/dbraw/zinc/48/55/19/816485519.db2.gz GGTGXSHFWZOUIS-KRWDZBQOSA-N 0 3 288.391 2.270 20 10 CECDHN Oc1ccc(O)c(CN2CC(c3cccnc3)C2)c1 ZINC001141159162 816489802 /nfs/dbraw/zinc/48/98/02/816489802.db2.gz APBZVKOEBUESOH-UHFFFAOYSA-N 0 3 256.305 2.092 20 10 CECDHN CCOc1cccc(C[N@H+](C)CCCOC)c1[O-] ZINC000134048685 366280867 /nfs/dbraw/zinc/28/08/67/366280867.db2.gz TVDMGUNQNGRLNB-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOc1cccc(C[N@@H+](C)CCCOC)c1[O-] ZINC000134048685 366280871 /nfs/dbraw/zinc/28/08/71/366280871.db2.gz TVDMGUNQNGRLNB-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CN(C)c1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1 ZINC000237083108 370688453 /nfs/dbraw/zinc/68/84/53/370688453.db2.gz HABBEUDMPORGCH-KRWDZBQOSA-N 0 3 297.402 2.111 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cccc(OC)c1[O-])CC(C)C ZINC000091922926 364072474 /nfs/dbraw/zinc/07/24/74/364072474.db2.gz YAJJJDYIFWJYQA-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN COC(=O)CC[N@H+](Cc1cccc(OC)c1[O-])CC(C)C ZINC000091922926 364072477 /nfs/dbraw/zinc/07/24/77/364072477.db2.gz YAJJJDYIFWJYQA-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN CCOc1cccc(C[NH2+]CC(O)(CC)CC)c1[O-] ZINC000112017955 364769202 /nfs/dbraw/zinc/76/92/02/364769202.db2.gz RNUWZVOEURBGMJ-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000167467524 367340170 /nfs/dbraw/zinc/34/01/70/367340170.db2.gz MTLSXTRHMBKFLG-RLFDGXBXSA-N 0 3 255.383 2.200 20 10 CECDHN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168771438 367359485 /nfs/dbraw/zinc/35/94/85/367359485.db2.gz DGXDICSGKLLZNU-GHMZBOCLSA-N 0 3 253.342 2.212 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168776188 367360560 /nfs/dbraw/zinc/36/05/60/367360560.db2.gz FEDJCSLPJXCRMA-QMTHXVAHSA-N 0 3 253.342 2.068 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000180195664 368370981 /nfs/dbraw/zinc/37/09/81/368370981.db2.gz UOHHTYXRPGCUIU-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000180195664 368370987 /nfs/dbraw/zinc/37/09/87/368370987.db2.gz UOHHTYXRPGCUIU-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000179678591 368345941 /nfs/dbraw/zinc/34/59/41/368345941.db2.gz FCFUJQOEELAOAZ-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1 ZINC000179678591 368345950 /nfs/dbraw/zinc/34/59/50/368345950.db2.gz FCFUJQOEELAOAZ-GFCCVEGCSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1cccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)c1[O-] ZINC000179662209 368346165 /nfs/dbraw/zinc/34/61/65/368346165.db2.gz XIZSRXZRVVAEPR-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN COc1ccc(O)c(CN2CCS[C@H](C)C2)c1 ZINC000180041442 368365089 /nfs/dbraw/zinc/36/50/89/368365089.db2.gz BNRIXTYKBGPZFS-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192102793 369772321 /nfs/dbraw/zinc/77/23/21/369772321.db2.gz JKXHWZWWNIQHBZ-CYBMUJFWSA-N 0 3 275.348 2.310 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192102793 369772328 /nfs/dbraw/zinc/77/23/28/369772328.db2.gz JKXHWZWWNIQHBZ-CYBMUJFWSA-N 0 3 275.348 2.310 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)Cn2cncn2)cc1 ZINC000269012584 372314793 /nfs/dbraw/zinc/31/47/93/372314793.db2.gz NYHKHHDNNQQBGS-UONOGXRCSA-N 0 3 287.411 2.474 20 10 CECDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)(C)O ZINC000271170278 373159509 /nfs/dbraw/zinc/15/95/09/373159509.db2.gz PRIJSXIKFWOEBV-UHFFFAOYSA-N 0 3 281.352 2.104 20 10 CECDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)CC(C)(C)O ZINC000271170278 373159516 /nfs/dbraw/zinc/15/95/16/373159516.db2.gz PRIJSXIKFWOEBV-UHFFFAOYSA-N 0 3 281.352 2.104 20 10 CECDHN COc1cc([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1OC ZINC000271121088 373129822 /nfs/dbraw/zinc/12/98/22/373129822.db2.gz YDNUUYQYDNMGEK-GHMZBOCLSA-N 0 3 265.353 2.497 20 10 CECDHN CCOc1cccc(CN2CCN(C3CCC3)CC2)c1O ZINC000271197085 373175248 /nfs/dbraw/zinc/17/52/48/373175248.db2.gz RVRTXYGEFMYQHS-UHFFFAOYSA-N 0 3 290.407 2.461 20 10 CECDHN C[C@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO[C@H]1C1CC1 ZINC000273133950 373747036 /nfs/dbraw/zinc/74/70/36/373747036.db2.gz NCZGNVASYIBBNV-HOTGVXAUSA-N 0 3 291.347 2.168 20 10 CECDHN Cc1ccc([C@@H](C)N[C@@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273498522 373760574 /nfs/dbraw/zinc/76/05/74/373760574.db2.gz PTWZNTVAUBHNOX-DOMZBBRYSA-N 0 3 289.379 2.127 20 10 CECDHN CCc1nc([C@@H](C)N[C@@H](C)c2cc(OC)ccc2O)n[nH]1 ZINC000273546615 373762154 /nfs/dbraw/zinc/76/21/54/373762154.db2.gz ZLKFYBXBTYUZEW-VHSXEESVSA-N 0 3 290.367 2.493 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516868 373762720 /nfs/dbraw/zinc/76/27/20/373762720.db2.gz SSHFQHLKPVQLAD-RYUDHWBXSA-N 0 3 292.379 2.061 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273516868 373762727 /nfs/dbraw/zinc/76/27/27/373762727.db2.gz SSHFQHLKPVQLAD-RYUDHWBXSA-N 0 3 292.379 2.061 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1C ZINC000273540966 373762740 /nfs/dbraw/zinc/76/27/40/373762740.db2.gz YIPTZGTWRIKXCB-OLZOCXBDSA-N 0 3 288.391 2.423 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273581531 373763986 /nfs/dbraw/zinc/76/39/86/373763986.db2.gz MTLGGLRZRUQPDU-BBRMVZONSA-N 0 3 281.396 2.447 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000273552445 373764527 /nfs/dbraw/zinc/76/45/27/373764527.db2.gz GDFJRVAODNKBNY-YGRLFVJLSA-N 0 3 267.369 2.458 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1C ZINC000273622777 373768754 /nfs/dbraw/zinc/76/87/54/373768754.db2.gz ZPHCFNWUSCOPDM-QWHCGFSZSA-N 0 3 276.380 2.280 20 10 CECDHN COCCOCCOCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000274543489 373957268 /nfs/dbraw/zinc/95/72/68/373957268.db2.gz CQYYWIWCIWAPFI-AWEZNQCLSA-N 0 3 297.395 2.113 20 10 CECDHN CCOCCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374322785 374542173 /nfs/dbraw/zinc/54/21/73/374542173.db2.gz GIXZKYVSGGQREM-UHFFFAOYSA-N 0 3 260.381 2.488 20 10 CECDHN C[C@H]([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1cc(F)ccc1[O-] ZINC000284415592 375828056 /nfs/dbraw/zinc/82/80/56/375828056.db2.gz QMHTWGDAJDUUCQ-WBIUFABUSA-N 0 3 299.386 2.340 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1OC ZINC000289236821 376388515 /nfs/dbraw/zinc/38/85/15/376388515.db2.gz DJZGRXNPDOVMEI-NEPJUHHUSA-N 0 3 295.379 2.172 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(=O)NCC2CC2)c([O-])c1 ZINC000294381249 377984982 /nfs/dbraw/zinc/98/49/82/377984982.db2.gz RLPZDNMCHOCKBA-LBPRGKRZSA-N 0 3 276.380 2.186 20 10 CECDHN Cc1cc(C)c([C@H](C)NCC(=O)NCC2CC2)c(O)c1 ZINC000294381249 377984991 /nfs/dbraw/zinc/98/49/91/377984991.db2.gz RLPZDNMCHOCKBA-LBPRGKRZSA-N 0 3 276.380 2.186 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC(C)(C)CO)c1 ZINC000294936378 378029437 /nfs/dbraw/zinc/02/94/37/378029437.db2.gz ZWBOMEQHKUNYIW-NSHDSACASA-N 0 3 267.369 2.460 20 10 CECDHN CCN(C)C(=O)[C@@H](NCc1ccc(N(C)C)cc1)C(C)C ZINC000295080905 378040519 /nfs/dbraw/zinc/04/05/19/378040519.db2.gz QIQOAWAQGGOCCC-INIZCTEOSA-N 0 3 291.439 2.345 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000295116549 378043333 /nfs/dbraw/zinc/04/33/33/378043333.db2.gz VWLXQBGKIUAVBD-AWEZNQCLSA-N 0 3 282.359 2.124 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](C)CCCO)c1 ZINC000294850040 378023851 /nfs/dbraw/zinc/02/38/51/378023851.db2.gz RZTIQVWYVVSITP-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN Cc1ccc(O)c(CNCc2n[nH]c(C(C)C)n2)c1 ZINC000294858223 378024193 /nfs/dbraw/zinc/02/41/93/378024193.db2.gz STXLNBNIFIMVTE-UHFFFAOYSA-N 0 3 260.341 2.232 20 10 CECDHN COCCn1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000296368002 378506315 /nfs/dbraw/zinc/50/63/15/378506315.db2.gz IMWBYDVMGVEDPR-CQSZACIVSA-N 0 3 287.363 2.012 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](C)N1CCOCC1 ZINC000297766289 378689746 /nfs/dbraw/zinc/68/97/46/378689746.db2.gz OZZGNGZRFFHAOB-YDHLFZDLSA-N 0 3 290.407 2.078 20 10 CECDHN O=C(NCC[NH2+][C@@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297890085 378691558 /nfs/dbraw/zinc/69/15/58/378691558.db2.gz VMDUHYXQXSSAAO-OAHLLOKOSA-N 0 3 296.370 2.399 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000527956744 379856853 /nfs/dbraw/zinc/85/68/53/379856853.db2.gz PMJBQZPGRMVPGS-AEGPPILISA-N 0 3 279.380 2.200 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCN(C)C)c1 ZINC000273363271 292014162 /nfs/dbraw/zinc/01/41/62/292014162.db2.gz AUFQVJNPHHBURH-VXGBXAGGSA-N 0 3 294.395 2.170 20 10 CECDHN CC(C)(C)C[N@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000093146348 394664386 /nfs/dbraw/zinc/66/43/86/394664386.db2.gz FKKGXVAEPJRMRR-UHFFFAOYSA-N 0 3 295.379 2.351 20 10 CECDHN CC(C)(C)C[N@@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000093146348 394664390 /nfs/dbraw/zinc/66/43/90/394664390.db2.gz FKKGXVAEPJRMRR-UHFFFAOYSA-N 0 3 295.379 2.351 20 10 CECDHN CC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000268573868 394696882 /nfs/dbraw/zinc/69/68/82/394696882.db2.gz RQSUQNCUCJUYMU-CABCVRRESA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000268573868 394696884 /nfs/dbraw/zinc/69/68/84/394696884.db2.gz RQSUQNCUCJUYMU-CABCVRRESA-N 0 3 279.380 2.144 20 10 CECDHN COc1cccc(CN(C)C[C@@H]2CCCO2)c1O ZINC000132961116 394940822 /nfs/dbraw/zinc/94/08/22/394940822.db2.gz NMSFPVYVMKFXIU-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000134493464 394958288 /nfs/dbraw/zinc/95/82/88/394958288.db2.gz BDDOORPNGVQSJL-LLVKDONJSA-N 0 3 294.395 2.184 20 10 CECDHN Cn1ccnc1[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368131663 394979083 /nfs/dbraw/zinc/97/90/83/394979083.db2.gz BDWKAAXSXKARIE-ZDUSSCGKSA-N 0 3 257.337 2.115 20 10 CECDHN Cn1ccnc1[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368131663 394979087 /nfs/dbraw/zinc/97/90/87/394979087.db2.gz BDWKAAXSXKARIE-ZDUSSCGKSA-N 0 3 257.337 2.115 20 10 CECDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000373483714 395061882 /nfs/dbraw/zinc/06/18/82/395061882.db2.gz VUEYXNMJDVPQFJ-HOCLYGCPSA-N 0 3 277.364 2.162 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@]2(CCOC2)O1 ZINC000373483714 395061886 /nfs/dbraw/zinc/06/18/86/395061886.db2.gz VUEYXNMJDVPQFJ-HOCLYGCPSA-N 0 3 277.364 2.162 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@@H](C)OC)c1[O-] ZINC000289176914 395071238 /nfs/dbraw/zinc/07/12/38/395071238.db2.gz ABSYDTRJHNXRFQ-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@@H](C)OC)c1[O-] ZINC000289176914 395071240 /nfs/dbraw/zinc/07/12/40/395071240.db2.gz ABSYDTRJHNXRFQ-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000168800220 395088946 /nfs/dbraw/zinc/08/89/46/395088946.db2.gz HBFOFZVAXVUPNA-GRYCIOLGSA-N 0 3 265.353 2.476 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000376040524 395107841 /nfs/dbraw/zinc/10/78/41/395107841.db2.gz ATKVGCRRTGBRIH-HNNXBMFYSA-N 0 3 297.782 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000376040524 395107843 /nfs/dbraw/zinc/10/78/43/395107843.db2.gz ATKVGCRRTGBRIH-HNNXBMFYSA-N 0 3 297.782 2.401 20 10 CECDHN COC[C@@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000181972598 395229702 /nfs/dbraw/zinc/22/97/02/395229702.db2.gz XSVUWNDNBAACJC-KRWDZBQOSA-N 0 3 292.423 2.116 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000182392001 395240341 /nfs/dbraw/zinc/24/03/41/395240341.db2.gz PUCSOOFZWJBXFE-JSGCOSHPSA-N 0 3 295.379 2.247 20 10 CECDHN C[C@@H]([NH2+]CCN1CCOCC1(C)C)c1ccccc1[O-] ZINC000183488414 395257537 /nfs/dbraw/zinc/25/75/37/395257537.db2.gz VOKORRBRZUIMLC-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183666466 395261303 /nfs/dbraw/zinc/26/13/03/395261303.db2.gz NQAIDTAUVPOKOJ-LLVKDONJSA-N 0 3 264.369 2.205 20 10 CECDHN CN(C)[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCSC1 ZINC000297507174 395343616 /nfs/dbraw/zinc/34/36/16/395343616.db2.gz CIXRNGJQIVTLAC-CJNGLKHVSA-N 0 3 292.448 2.406 20 10 CECDHN C[N@H+]1C[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC000194534593 395439973 /nfs/dbraw/zinc/43/99/73/395439973.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN C[N@@H+]1C[C@H]2CN(Cc3cccc(Cl)c3[O-])C[C@H]2C1 ZINC000194534593 395439975 /nfs/dbraw/zinc/43/99/75/395439975.db2.gz AGIFJKKAQATUAD-TXEJJXNPSA-N 0 3 266.772 2.039 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](C)N2CCCCC2)c1[O-] ZINC000038028512 174017690 /nfs/dbraw/zinc/01/76/90/174017690.db2.gz NGKBZBRGZRRKPZ-ZDUSSCGKSA-N 0 3 278.396 2.365 20 10 CECDHN CCOc1cccc(CN2CCC3(CC2)OCCO3)c1O ZINC000077253445 177241811 /nfs/dbraw/zinc/24/18/11/177241811.db2.gz AAPOWUIZOXTZKU-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CCOc1cccc(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC000077253445 177241813 /nfs/dbraw/zinc/24/18/13/177241813.db2.gz AAPOWUIZOXTZKU-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccccc1[O-] ZINC000091666381 260266421 /nfs/dbraw/zinc/26/64/21/260266421.db2.gz XLXYGFSLQLLGIG-YCPHGPKFSA-N 0 3 290.407 2.296 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCSCC1)c1ccccc1[O-] ZINC000223816427 260371523 /nfs/dbraw/zinc/37/15/23/260371523.db2.gz QOHKJHVEZXWPDD-CQSZACIVSA-N 0 3 280.437 2.482 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3ccccn3)CC2)c1 ZINC000158900490 261173511 /nfs/dbraw/zinc/17/35/11/261173511.db2.gz FOYGNEDKJDFORH-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN CCOC[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160349837 261211445 /nfs/dbraw/zinc/21/14/45/261211445.db2.gz MDNLEJLOZXNYSD-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN CCOC[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2[O-])C1 ZINC000160349837 261211447 /nfs/dbraw/zinc/21/14/47/261211447.db2.gz MDNLEJLOZXNYSD-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])CC2 ZINC000185318281 262050736 /nfs/dbraw/zinc/05/07/36/262050736.db2.gz XUBWENHTKWTETL-JOYOIKCWSA-N 0 3 290.342 2.097 20 10 CECDHN C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1cc(F)ccc1[O-] ZINC000185505648 262057743 /nfs/dbraw/zinc/05/77/43/262057743.db2.gz KGOWRUVTZNMLLX-QWHCGFSZSA-N 0 3 296.386 2.150 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO[C@@H]2CCOC2)c1 ZINC000185673379 262064691 /nfs/dbraw/zinc/06/46/91/262064691.db2.gz CFPTUJKDTYMSCH-SGMGOOAPSA-N 0 3 295.379 2.245 20 10 CECDHN C[C@@H](CCN1CCN(C)CC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186566936 262100140 /nfs/dbraw/zinc/10/01/40/262100140.db2.gz ANKDEIFTQFDTMM-GJZGRUSLSA-N 0 3 291.439 2.069 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185467086 262305156 /nfs/dbraw/zinc/30/51/56/262305156.db2.gz RMQAWVNUUXPQNI-SWLSCSKDSA-N 0 3 267.369 2.139 20 10 CECDHN CN(C)c1ccc(CN[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 ZINC000283833584 263084510 /nfs/dbraw/zinc/08/45/10/263084510.db2.gz FHNMSPNXJBXHKB-ZBFHGGJFSA-N 0 3 294.439 2.000 20 10 CECDHN COc1cccc([C@@H](O)C[NH2+]Cc2ccccc2[O-])c1 ZINC000134521970 264511730 /nfs/dbraw/zinc/51/17/30/264511730.db2.gz BCPHWVBLRISSPF-INIZCTEOSA-N 0 3 273.332 2.224 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+](C)[C@@H]1CCCCNC1=O ZINC000368022060 267136608 /nfs/dbraw/zinc/13/66/08/267136608.db2.gz MPZOSYBBUWJYFH-UONOGXRCSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000368022060 267136612 /nfs/dbraw/zinc/13/66/12/267136612.db2.gz MPZOSYBBUWJYFH-UONOGXRCSA-N 0 3 276.380 2.444 20 10 CECDHN COc1cccc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000369515098 267247516 /nfs/dbraw/zinc/24/75/16/267247516.db2.gz GZKYPTZKYXRDSG-UHFFFAOYSA-N 0 3 286.331 2.060 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])CC12CCC2 ZINC000369645185 267257070 /nfs/dbraw/zinc/25/70/70/267257070.db2.gz AVXLOFPVONSMIU-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC12CCC2 ZINC000369645185 267257073 /nfs/dbraw/zinc/25/70/73/267257073.db2.gz AVXLOFPVONSMIU-AWEZNQCLSA-N 0 3 289.375 2.476 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c([O-])c1C ZINC000527959833 313221162 /nfs/dbraw/zinc/22/11/62/313221162.db2.gz ZIILHJPCHHQMQN-CFVMTHIKSA-N 0 3 279.380 2.200 20 10 CECDHN Cc1cccc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC000291305050 328262957 /nfs/dbraw/zinc/26/29/57/328262957.db2.gz QZSNOUMAVOTZNC-LBPRGKRZSA-N 0 3 271.307 2.150 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253844 327191043 /nfs/dbraw/zinc/19/10/43/327191043.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCN(C)C2)c1 ZINC000092253844 327191044 /nfs/dbraw/zinc/19/10/44/327191044.db2.gz ZNENIVZODXOCIT-AWEZNQCLSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000378109231 329040191 /nfs/dbraw/zinc/04/01/91/329040191.db2.gz JUAAANWDKYWSRX-CYBMUJFWSA-N 0 3 257.337 2.071 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1[O-] ZINC000378459979 329051615 /nfs/dbraw/zinc/05/16/15/329051615.db2.gz UZWFNWGBVYKCEK-GOEBONIOSA-N 0 3 277.364 2.128 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCCn2ccnc2)c1[O-] ZINC000228668892 329059095 /nfs/dbraw/zinc/05/90/95/329059095.db2.gz FYZCCFKFYICCHS-UHFFFAOYSA-N 0 3 295.770 2.431 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-] ZINC000249849249 329911314 /nfs/dbraw/zinc/91/13/14/329911314.db2.gz PBJAYHXDSMQAGF-GUTXKFCHSA-N 0 3 277.364 2.448 20 10 CECDHN CCn1nncc1CN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527918868 330295496 /nfs/dbraw/zinc/29/54/96/330295496.db2.gz FJWAXRJOBBWWJW-CABZTGNLSA-N 0 3 290.342 2.481 20 10 CECDHN CCn1nncc1CN[C@H](C)c1ccc(C)c(C)c1O ZINC000527919184 330295517 /nfs/dbraw/zinc/29/55/17/330295517.db2.gz FNEQJLAWQMMHET-GFCCVEGCSA-N 0 3 274.368 2.471 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccccc1[O-] ZINC000135719319 334137052 /nfs/dbraw/zinc/13/70/52/334137052.db2.gz XDACWZXBIDJVTG-MNOVXSKESA-N 0 3 264.369 2.346 20 10 CECDHN CC(C)C(=O)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000037142592 519457561 /nfs/dbraw/zinc/45/75/61/519457561.db2.gz HAQFKXGOUTYBAT-UHFFFAOYSA-N 0 3 276.380 2.129 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000236838600 520371545 /nfs/dbraw/zinc/37/15/45/520371545.db2.gz OJYADNZNDVOYGA-CYBMUJFWSA-N 0 3 265.353 2.450 20 10 CECDHN CCOc1ccc(O)c(CN2CCSCC2)c1 ZINC000126227079 521148111 /nfs/dbraw/zinc/14/81/11/521148111.db2.gz OXPQQJJUEOEFNN-UHFFFAOYSA-N 0 3 253.367 2.340 20 10 CECDHN CCNC(=O)[C@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000035134368 521745460 /nfs/dbraw/zinc/74/54/60/521745460.db2.gz FLOZJWMSZCXZIE-AWEZNQCLSA-N 0 3 289.423 2.291 20 10 CECDHN COC[C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000045656224 522582065 /nfs/dbraw/zinc/58/20/65/522582065.db2.gz UIWNBNQOJSPKRQ-GHMZBOCLSA-N 0 3 253.342 2.334 20 10 CECDHN CC[C@H]([NH2+]CC[C@H](O)COC)c1ccc(C)cc1[O-] ZINC000280151581 522599634 /nfs/dbraw/zinc/59/96/34/522599634.db2.gz QGAKUUUVVMTLBK-JSGCOSHPSA-N 0 3 267.369 2.139 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCOC(C)(C)C2)cc1OC ZINC000127237025 522781313 /nfs/dbraw/zinc/78/13/13/522781313.db2.gz NTQLBHQMGYGABB-GFCCVEGCSA-N 0 3 295.379 2.457 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccc(C)cc1[O-] ZINC000280269075 522861404 /nfs/dbraw/zinc/86/14/04/522861404.db2.gz XSTPRBNEUPVDIO-TZMCWYRMSA-N 0 3 267.369 2.403 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280032652 522933219 /nfs/dbraw/zinc/93/32/19/522933219.db2.gz IHKLIWWUVRIUKA-GDBMZVCRSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCOCCO)c([O-])c1 ZINC000285054272 524329599 /nfs/dbraw/zinc/32/95/99/524329599.db2.gz IPZBGGQLWPQNJM-CYBMUJFWSA-N 0 3 267.369 2.059 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCN2CCC(C)CC2)c1 ZINC000040771652 524748671 /nfs/dbraw/zinc/74/86/71/524748671.db2.gz PEWODTLVTVAZEJ-UHFFFAOYSA-N 0 3 278.396 2.222 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCN2CCCCCC2)c1 ZINC000040767581 524750831 /nfs/dbraw/zinc/75/08/31/524750831.db2.gz LVCOWUQOKUMNKU-UHFFFAOYSA-N 0 3 278.396 2.366 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290036113 524775403 /nfs/dbraw/zinc/77/54/03/524775403.db2.gz DEIUVXCYWVSRCT-VWYCJHECSA-N 0 3 253.342 2.475 20 10 CECDHN Cc1cc(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)cc1C ZINC000280390745 525317833 /nfs/dbraw/zinc/31/78/33/525317833.db2.gz WWBAUHFHDZTODN-PBHICJAKSA-N 0 3 291.391 2.389 20 10 CECDHN C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(F)ccc1[O-] ZINC000281024380 525423293 /nfs/dbraw/zinc/42/32/93/525423293.db2.gz MNUVIQSEAHVYII-DGIBIBHMSA-N 0 3 285.384 2.483 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000293035565 525918497 /nfs/dbraw/zinc/91/84/97/525918497.db2.gz ALXITERKXUUQCD-LBPRGKRZSA-N 0 3 274.368 2.113 20 10 CECDHN Cc1cn[nH]c1CNCc1ccc2c(c1)CCCN2C ZINC000289907972 526032685 /nfs/dbraw/zinc/03/26/85/526032685.db2.gz NUQFHUBQVQDEJR-UHFFFAOYSA-N 0 3 270.380 2.390 20 10 CECDHN CCCN(C)CC(=O)N(CCC)Cc1ccccc1O ZINC000730282815 574513604 /nfs/dbraw/zinc/51/36/04/574513604.db2.gz PZBOLOLOAMWYEX-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@]2(C)CCOC2)c([O-])c1 ZINC000733327626 574664407 /nfs/dbraw/zinc/66/44/07/574664407.db2.gz JGUQNCKMPCHYTL-HNNXBMFYSA-N 0 3 265.353 2.307 20 10 CECDHN Cc1ccc(O)c(CNC(C)(C)c2cnn(C)c2)c1 ZINC000742374008 575017858 /nfs/dbraw/zinc/01/78/58/575017858.db2.gz OIMSYNDJACQDNV-UHFFFAOYSA-N 0 3 259.353 2.459 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)c2cnn(C)c2)c1 ZINC000742374008 575017859 /nfs/dbraw/zinc/01/78/59/575017859.db2.gz OIMSYNDJACQDNV-UHFFFAOYSA-N 0 3 259.353 2.459 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c([O-])c1 ZINC000746756649 575163954 /nfs/dbraw/zinc/16/39/54/575163954.db2.gz VPULBTSBUXGATC-OLZOCXBDSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H](NCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000749915594 575239876 /nfs/dbraw/zinc/23/98/76/575239876.db2.gz MZASWDACBZIZMY-CYBMUJFWSA-N 0 3 286.379 2.097 20 10 CECDHN CCC[NH+]1CCC(NC(=O)c2ccc(C)c(O)c2[O-])CC1 ZINC000751533825 575291517 /nfs/dbraw/zinc/29/15/17/575291517.db2.gz SHKGJPKNUYRPDA-UHFFFAOYSA-N 0 3 292.379 2.010 20 10 CECDHN C[N@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000152295214 625671402 /nfs/dbraw/zinc/67/14/02/625671402.db2.gz VCHBNCWTOQTHPG-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN C[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000152295214 625671422 /nfs/dbraw/zinc/67/14/22/625671422.db2.gz VCHBNCWTOQTHPG-AWEZNQCLSA-N 0 3 265.353 2.020 20 10 CECDHN C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000840876541 625163875 /nfs/dbraw/zinc/16/38/75/625163875.db2.gz NUJGHKHKKFRIED-LLVKDONJSA-N 0 3 285.409 2.256 20 10 CECDHN CCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCOCC1 ZINC000313893476 628663662 /nfs/dbraw/zinc/66/36/62/628663662.db2.gz PTJSHXZZXOOMDT-UHFFFAOYSA-N 0 3 293.363 2.417 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]([NH+](C)C)[C@H]2C)c1[O-] ZINC000314399512 628751524 /nfs/dbraw/zinc/75/15/24/628751524.db2.gz XASFWSBKQGRZTI-MEBBXXQBSA-N 0 3 294.370 2.258 20 10 CECDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@@H]1[NH3+] ZINC000220184840 628823456 /nfs/dbraw/zinc/82/34/56/628823456.db2.gz IZVLXPOCYRRLKS-CABZTGNLSA-N 0 3 299.212 2.324 20 10 CECDHN C[C@H]1C[C@H]([NH3+])CCN1Cc1cc(Br)ccc1[O-] ZINC000220332809 628825869 /nfs/dbraw/zinc/82/58/69/628825869.db2.gz JYSQSSXJRKDBQP-JOYOIKCWSA-N 0 3 299.212 2.466 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccc(C)cc1[O-] ZINC000794819436 629327448 /nfs/dbraw/zinc/32/74/48/629327448.db2.gz WQBKLVZLNWDXLY-QRTARXTBSA-N 0 3 292.423 2.460 20 10 CECDHN CC[C@H]([NH2+][C@H](C)[C@@H]1CN(C)CCO1)c1ccc(C)cc1[O-] ZINC000794819429 629328219 /nfs/dbraw/zinc/32/82/19/629328219.db2.gz WQBKLVZLNWDXLY-KMFMINBZSA-N 0 3 292.423 2.460 20 10 CECDHN COC1(OC)CC[C@H]1NCc1ccc(N(C)C)cc1C ZINC000925078544 629602039 /nfs/dbraw/zinc/60/20/39/629602039.db2.gz HXVMEIAEIHOPIE-OAHLLOKOSA-N 0 3 278.396 2.302 20 10 CECDHN CCC1CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894812689 629654173 /nfs/dbraw/zinc/65/41/73/629654173.db2.gz GMCIYYHRZBRHSV-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN CCN1CCC[C@H](NCc2ccc(N(C)C)cc2C)C1=O ZINC000896728553 630650155 /nfs/dbraw/zinc/65/01/55/630650155.db2.gz BGWSIHPKFXPDIN-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1c(O)cccc1F ZINC000928705619 631127841 /nfs/dbraw/zinc/12/78/41/631127841.db2.gz MHEFBJAJANIXRT-PHIMTYICSA-N 0 3 280.343 2.020 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000808677836 631999651 /nfs/dbraw/zinc/99/96/51/631999651.db2.gz FJSGHTMVBSNPPA-CMPLNLGQSA-N 0 3 285.771 2.420 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)NCc2cnnn2C)c1O ZINC000808719115 632005968 /nfs/dbraw/zinc/00/59/68/632005968.db2.gz RZVCTACBFOHFJE-SECBINFHSA-N 0 3 280.759 2.333 20 10 CECDHN C[N@H+](CCC(N)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809713748 632131522 /nfs/dbraw/zinc/13/15/22/632131522.db2.gz LAQGJQPWQFOKBB-UHFFFAOYSA-N 0 3 284.359 2.366 20 10 CECDHN C[N@@H+](CCC(N)=O)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000809713748 632131527 /nfs/dbraw/zinc/13/15/27/632131527.db2.gz LAQGJQPWQFOKBB-UHFFFAOYSA-N 0 3 284.359 2.366 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188840 632157174 /nfs/dbraw/zinc/15/71/74/632157174.db2.gz MXZHIUGLPBOUNY-WBMJQRKESA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCC3)C1)[C@@H](O)CO2 ZINC000840188840 632157177 /nfs/dbraw/zinc/15/71/77/632157177.db2.gz MXZHIUGLPBOUNY-WBMJQRKESA-N 0 3 289.375 2.440 20 10 CECDHN CCOc1ccc(C[NH2+][C@](C)(CO)C(C)C)c([O-])c1 ZINC000810172987 632190597 /nfs/dbraw/zinc/19/05/97/632190597.db2.gz SXLFDQXWAXEBGR-OAHLLOKOSA-N 0 3 267.369 2.288 20 10 CECDHN CCN(C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101893 632700929 /nfs/dbraw/zinc/70/09/29/632700929.db2.gz NAHVDHRJMMLCTP-OAHLLOKOSA-N 0 3 292.427 2.017 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([O-])c1 ZINC000817412579 633650651 /nfs/dbraw/zinc/65/06/51/633650651.db2.gz MVWFCQXTLISADQ-QWHCGFSZSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([O-])c1 ZINC000817412579 633650657 /nfs/dbraw/zinc/65/06/57/633650657.db2.gz MVWFCQXTLISADQ-QWHCGFSZSA-N 0 3 279.380 2.241 20 10 CECDHN CCCC[C@@H](CN)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817962066 633805214 /nfs/dbraw/zinc/80/52/14/633805214.db2.gz HPPMSTZLJVTGLU-AAEUAGOBSA-N 0 3 294.395 2.347 20 10 CECDHN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968865 633812307 /nfs/dbraw/zinc/81/23/07/633812307.db2.gz NWGKYYKKBWPDOQ-ZDMBXUJBSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968865 633812312 /nfs/dbraw/zinc/81/23/12/633812312.db2.gz NWGKYYKKBWPDOQ-ZDMBXUJBSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H]([NH2+][C@H]1CCOC12CCOCC2)c1ccccc1[O-] ZINC000903387309 635097926 /nfs/dbraw/zinc/09/79/26/635097926.db2.gz GRTFNBYKOWNZSE-WFASDCNBSA-N 0 3 277.364 2.381 20 10 CECDHN CC1(C)C[NH2+]C[C@H]1NCc1cc(Cl)ccc1[O-] ZINC000904463234 635635751 /nfs/dbraw/zinc/63/57/51/635635751.db2.gz OJQXRAQWNUCGCP-GFCCVEGCSA-N 0 3 254.761 2.133 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000842776766 635775728 /nfs/dbraw/zinc/77/57/28/635775728.db2.gz ZRIBUOZRXZLGSO-ZYHUDNBSSA-N 0 3 251.326 2.058 20 10 CECDHN COC[C@H](CC[NH2+]Cc1cc(Cl)cc(C)c1[O-])OC ZINC000826839039 635857644 /nfs/dbraw/zinc/85/76/44/635857644.db2.gz NPXHYOYAOZAOPD-ZDUSSCGKSA-N 0 3 287.787 2.495 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151679 636237936 /nfs/dbraw/zinc/23/79/36/636237936.db2.gz IASXWDNAWONPIZ-HNNXBMFYSA-N 0 3 265.328 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827151679 636237943 /nfs/dbraw/zinc/23/79/43/636237943.db2.gz IASXWDNAWONPIZ-HNNXBMFYSA-N 0 3 265.328 2.268 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000827284301 636280014 /nfs/dbraw/zinc/28/00/14/636280014.db2.gz UPENTPDTLGREIL-CJNGLKHVSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000827284301 636280018 /nfs/dbraw/zinc/28/00/18/636280018.db2.gz UPENTPDTLGREIL-CJNGLKHVSA-N 0 3 277.364 2.259 20 10 CECDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000827812731 636431033 /nfs/dbraw/zinc/43/10/33/636431033.db2.gz WIYRNAZWYPOEHH-OTCDBFHCSA-N 0 3 283.755 2.395 20 10 CECDHN CC(C)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000828327813 636571347 /nfs/dbraw/zinc/57/13/47/636571347.db2.gz SPSREEGVJDNQMU-AWEZNQCLSA-N 0 3 274.364 2.107 20 10 CECDHN CC(C)N1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000830180243 637000815 /nfs/dbraw/zinc/00/08/15/637000815.db2.gz JTNWZWBERKZYAB-CYBMUJFWSA-N 0 3 280.343 2.020 20 10 CECDHN CCCOC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460458 637352233 /nfs/dbraw/zinc/35/22/33/637352233.db2.gz ULEIIKINFJDFAQ-OAHLLOKOSA-N 0 3 293.411 2.492 20 10 CECDHN CC[C@H]([NH2+][C@H]1CC(=O)N(CC)C1)c1ccc(C)cc1[O-] ZINC000834892549 637979959 /nfs/dbraw/zinc/97/99/59/637979959.db2.gz WAILKCSOHDAEPZ-JSGCOSHPSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000876798149 650437052 /nfs/dbraw/zinc/43/70/52/650437052.db2.gz FHHQRIOSJPFQPR-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCS[C@H]2COCC[C@H]21 ZINC000876798149 650437053 /nfs/dbraw/zinc/43/70/53/650437053.db2.gz FHHQRIOSJPFQPR-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[NH2+]C[C@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000876908488 650481523 /nfs/dbraw/zinc/48/15/23/650481523.db2.gz MQOSJAYSYNKOFF-MRXNPFEDSA-N 0 3 292.423 2.147 20 10 CECDHN COCCOCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226589394 639554407 /nfs/dbraw/zinc/55/44/07/639554407.db2.gz VDELCKOBOZBSIX-UHFFFAOYSA-N 0 3 271.332 2.064 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCOCC(F)(F)F ZINC000226583736 639554582 /nfs/dbraw/zinc/55/45/82/639554582.db2.gz XAQTWTFCVLMUGE-UHFFFAOYSA-N 0 3 267.222 2.200 20 10 CECDHN CC(=O)N1CCCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840909290 639581987 /nfs/dbraw/zinc/58/19/87/639581987.db2.gz GJWYTQOVMBGRCN-UHFFFAOYSA-N 0 3 289.423 2.115 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](C)C[C@H]1C(N)=O ZINC000840939064 639592402 /nfs/dbraw/zinc/59/24/02/639592402.db2.gz KFBUKRQVGVKLLK-LRDDRELGSA-N 0 3 289.423 2.147 20 10 CECDHN Cc1cc(Br)c([O-])c(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000841035701 639628011 /nfs/dbraw/zinc/62/80/11/639628011.db2.gz KDJSMSPZTBQVQX-NSHDSACASA-N 0 3 299.212 2.305 20 10 CECDHN [NH3+]CC[C@@H](NCc1cc(Cl)ccc1[O-])C(F)F ZINC000841074375 639645120 /nfs/dbraw/zinc/64/51/20/639645120.db2.gz PFZHWZFIDYGWRW-SECBINFHSA-N 0 3 264.703 2.118 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000876997488 650524934 /nfs/dbraw/zinc/52/49/34/650524934.db2.gz YIQJIWAZGHRNSG-ZDUSSCGKSA-N 0 3 278.352 2.021 20 10 CECDHN CC[N@H+](CCSC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000842647538 640134578 /nfs/dbraw/zinc/13/45/78/640134578.db2.gz ZOBGZBABPGVJCX-ZDUSSCGKSA-N 0 3 283.393 2.003 20 10 CECDHN CC[N@@H+](CCSC)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000842647538 640134585 /nfs/dbraw/zinc/13/45/85/640134585.db2.gz ZOBGZBABPGVJCX-ZDUSSCGKSA-N 0 3 283.393 2.003 20 10 CECDHN CC[C@H](C)C[C@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000842753372 640169547 /nfs/dbraw/zinc/16/95/47/640169547.db2.gz FEYLCAFIFROCMR-NWDGAFQWSA-N 0 3 267.369 2.288 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@H]2OC)cc1 ZINC000842913333 640220536 /nfs/dbraw/zinc/22/05/36/640220536.db2.gz ZVTWRWXYVSXHGR-DAXOMENPSA-N 0 3 278.396 2.207 20 10 CECDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1c([O-])cc(C)cc1Cl ZINC000843122779 640291198 /nfs/dbraw/zinc/29/11/98/640291198.db2.gz USPSEODHOHBUPX-QWRGUYRKSA-N 0 3 286.778 2.486 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](CO)Cc2ccco2)c([O-])c1 ZINC000877092839 650569190 /nfs/dbraw/zinc/56/91/90/650569190.db2.gz LCUVUBCWNJSDEI-ZDUSSCGKSA-N 0 3 275.348 2.234 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000877132959 650587955 /nfs/dbraw/zinc/58/79/55/650587955.db2.gz SBUOCHRJQMMWKE-CZUORRHYSA-N 0 3 277.364 2.128 20 10 CECDHN Cc1cccc(O)c1CN1CCN(Cc2cccnc2)CC1 ZINC000877169054 650607398 /nfs/dbraw/zinc/60/73/98/650607398.db2.gz DWVYPDLKACUAMX-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000877187779 650617317 /nfs/dbraw/zinc/61/73/17/650617317.db2.gz GZWPUABCJUJNJQ-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846074163 641174562 /nfs/dbraw/zinc/17/45/62/641174562.db2.gz VWWYEMVHNMTFSA-WFASDCNBSA-N 0 3 288.391 2.444 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@]2(O)CCCOC2)c([O-])c1 ZINC000846212877 641224635 /nfs/dbraw/zinc/22/46/35/641224635.db2.gz NIASVGDXEBVLKQ-CJNGLKHVSA-N 0 3 279.380 2.283 20 10 CECDHN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179563730 641366158 /nfs/dbraw/zinc/36/61/58/641366158.db2.gz ZUJWHOIKRWRWIJ-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179563730 641366161 /nfs/dbraw/zinc/36/61/61/641366161.db2.gz ZUJWHOIKRWRWIJ-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877401161 650706740 /nfs/dbraw/zinc/70/67/40/650706740.db2.gz ZFSLQUXZSACEHY-ZDUSSCGKSA-N 0 3 278.352 2.021 20 10 CECDHN O[C@H](CNCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921516124 642184196 /nfs/dbraw/zinc/18/41/96/642184196.db2.gz LDNNJVWNAJHHSF-CQSZACIVSA-N 0 3 273.332 2.428 20 10 CECDHN CCO[C@@H]1C[C@@](CO)([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877459827 650729007 /nfs/dbraw/zinc/72/90/07/650729007.db2.gz LURRYBVYEYLBPF-WBVHZDCISA-N 0 3 293.407 2.356 20 10 CECDHN COc1ccc(N2CC[C@H](NCC3(F)CC3)C2)cc1 ZINC000850347879 642675314 /nfs/dbraw/zinc/67/53/14/642675314.db2.gz ZNXQXMHYXFHKDX-LBPRGKRZSA-N 0 3 264.344 2.366 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850378365 642689503 /nfs/dbraw/zinc/68/95/03/642689503.db2.gz AABCUGJJZLIZPR-OLZOCXBDSA-N 0 3 269.291 2.296 20 10 CECDHN COCC1(C[NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877544532 650778821 /nfs/dbraw/zinc/77/88/21/650778821.db2.gz YZBSJGNYXJNOOS-UHFFFAOYSA-N 0 3 279.380 2.233 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H](C)n2ncnc21)c1ccc(F)cc1[O-] ZINC000850499709 642732908 /nfs/dbraw/zinc/73/29/08/642732908.db2.gz VUHAXVKXIJVWJF-AUTRQRHGSA-N 0 3 276.315 2.479 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000850545291 642747338 /nfs/dbraw/zinc/74/73/38/642747338.db2.gz ABTVTZZODYUBDV-KOLCDFICSA-N 0 3 282.771 2.283 20 10 CECDHN c1cc([C@@H]2OCC[C@H]2NCc2ccc3c(c2)CCCO3)n[nH]1 ZINC000922276478 642995798 /nfs/dbraw/zinc/99/57/98/642995798.db2.gz JKKGFNCMORQQCM-RHSMWYFYSA-N 0 3 299.374 2.355 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000877594180 650806338 /nfs/dbraw/zinc/80/63/38/650806338.db2.gz OGLRQHZNZMXQLC-LBPRGKRZSA-N 0 3 270.323 2.130 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[S@@](=O)CC(F)(F)F ZINC000877622540 650817629 /nfs/dbraw/zinc/81/76/29/650817629.db2.gz PYEMGAWIFFFDLM-LJQANCHMSA-N 0 3 295.326 2.101 20 10 CECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877655258 650835818 /nfs/dbraw/zinc/83/58/18/650835818.db2.gz SLHIVJHDTOFJCM-CYBMUJFWSA-N 0 3 275.348 2.442 20 10 CECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000839147470 644157855 /nfs/dbraw/zinc/15/78/55/644157855.db2.gz JVHSHNBDGNPPPS-PHIMTYICSA-N 0 3 251.326 2.058 20 10 CECDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000877758276 650899913 /nfs/dbraw/zinc/89/99/13/650899913.db2.gz QFRCSNIFYXWNIC-LRDDRELGSA-N 0 3 279.380 2.484 20 10 CECDHN C[C@H](CCO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756584994 644672413 /nfs/dbraw/zinc/67/24/13/644672413.db2.gz IDVFHWQYDWHGLW-KKZNHRDASA-N 0 3 253.317 2.440 20 10 CECDHN COC(=O)N1CC([NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)C1 ZINC000756757807 644689527 /nfs/dbraw/zinc/68/95/27/644689527.db2.gz DPYHNOBYUDUHCY-KWQFWETISA-N 0 3 294.326 2.120 20 10 CECDHN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(F)ccc1[O-] ZINC000756769070 644690410 /nfs/dbraw/zinc/69/04/10/644690410.db2.gz JBOSNDSUWBPXRZ-SKDRFNHKSA-N 0 3 253.317 2.343 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756773629 644691372 /nfs/dbraw/zinc/69/13/72/644691372.db2.gz AMDAVXGQSUOMTN-BNOWGMLFSA-N 0 3 276.380 2.266 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756776130 644691462 /nfs/dbraw/zinc/69/14/62/644691462.db2.gz WPRGWVYLXLGWBX-NDMJEZRESA-N 0 3 280.343 2.097 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2[O-] ZINC000756782955 644692752 /nfs/dbraw/zinc/69/27/52/644692752.db2.gz XAJUINANMLSZLO-SCZZXKLOSA-N 0 3 280.343 2.181 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCCn2cncn2)c2c1c(F)ccc2[O-] ZINC000756830453 644696657 /nfs/dbraw/zinc/69/66/57/644696657.db2.gz QIGFVYMNBYJWOM-JQWIXIFHSA-N 0 3 290.342 2.351 20 10 CECDHN Cc1cc([O-])c(CN(C)[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000843048983 644745875 /nfs/dbraw/zinc/74/58/75/644745875.db2.gz CRDUPQSXUWTYFR-JTQLQIEISA-N 0 3 254.761 2.148 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000857084280 644812470 /nfs/dbraw/zinc/81/24/70/644812470.db2.gz LNHZRPQLJXKUBG-IRUJWGPZSA-N 0 3 292.354 2.290 20 10 CECDHN CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000839790517 644818368 /nfs/dbraw/zinc/81/83/68/644818368.db2.gz AXJLYXZHXQNOIM-SNVBAGLBSA-N 0 3 268.382 2.008 20 10 CECDHN CC(C)[N@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000839790517 644818370 /nfs/dbraw/zinc/81/83/70/644818370.db2.gz AXJLYXZHXQNOIM-SNVBAGLBSA-N 0 3 268.382 2.008 20 10 CECDHN COC[C@H](C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F)OC ZINC000757638542 644829288 /nfs/dbraw/zinc/82/92/88/644829288.db2.gz QMVUTPGSBFJIOW-SCVCMEIPSA-N 0 3 283.343 2.331 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1cccc(C(N)=O)c1 ZINC000115629068 644969711 /nfs/dbraw/zinc/96/97/11/644969711.db2.gz FALIFXGQAZHJIW-UHFFFAOYSA-N 0 3 297.402 2.450 20 10 CECDHN COc1cc(N2CCN(C(C)C)CC2)cc(OC)c1OC ZINC000759887734 645088428 /nfs/dbraw/zinc/08/84/28/645088428.db2.gz WXJNXKXGJHCTLQ-UHFFFAOYSA-N 0 3 294.395 2.243 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c([O-])c1 ZINC000760452380 645159440 /nfs/dbraw/zinc/15/94/40/645159440.db2.gz XUCNQQUWTUIBDK-GFCCVEGCSA-N 0 3 293.285 2.194 20 10 CECDHN CC[C@@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858578519 645207486 /nfs/dbraw/zinc/20/74/86/645207486.db2.gz JTOREOPWOQPTOA-SWLSCSKDSA-N 0 3 293.411 2.202 20 10 CECDHN CCCCNC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000116279508 645237626 /nfs/dbraw/zinc/23/76/26/645237626.db2.gz YOVXJMPIHKLYCJ-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCCCNC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000116279508 645237632 /nfs/dbraw/zinc/23/76/32/645237632.db2.gz YOVXJMPIHKLYCJ-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761218919 645258133 /nfs/dbraw/zinc/25/81/33/645258133.db2.gz MBXWXZMLQGITNU-UHFFFAOYSA-N 0 3 271.744 2.009 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761218919 645258136 /nfs/dbraw/zinc/25/81/36/645258136.db2.gz MBXWXZMLQGITNU-UHFFFAOYSA-N 0 3 271.744 2.009 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000761218311 645258242 /nfs/dbraw/zinc/25/82/42/645258242.db2.gz AEWMOMHFMZARAY-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000761218311 645258244 /nfs/dbraw/zinc/25/82/44/645258244.db2.gz AEWMOMHFMZARAY-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN CCOc1ccc(C[NH2+][C@](C)(CC)CCO)c([O-])c1 ZINC000761973274 645343653 /nfs/dbraw/zinc/34/36/53/645343653.db2.gz KSNWYUJEBDKZNR-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768441815 646122035 /nfs/dbraw/zinc/12/20/35/646122035.db2.gz NTFGZJTXLSWKEA-CQSZACIVSA-N 0 3 263.337 2.191 20 10 CECDHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768441815 646122042 /nfs/dbraw/zinc/12/20/42/646122042.db2.gz NTFGZJTXLSWKEA-CQSZACIVSA-N 0 3 263.337 2.191 20 10 CECDHN CC[C@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464177 646126563 /nfs/dbraw/zinc/12/65/63/646126563.db2.gz OARHNSSODOJADR-GOEBONIOSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464177 646126564 /nfs/dbraw/zinc/12/65/64/646126564.db2.gz OARHNSSODOJADR-GOEBONIOSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464964 646128449 /nfs/dbraw/zinc/12/84/49/646128449.db2.gz CYFPAXZRQTYXBI-HCKVZZMMSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1C[C@@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464964 646128451 /nfs/dbraw/zinc/12/84/51/646128451.db2.gz CYFPAXZRQTYXBI-HCKVZZMMSA-N 0 3 277.364 2.438 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769310599 646241486 /nfs/dbraw/zinc/24/14/86/646241486.db2.gz IVOAOOJAUIEOJZ-ZDUSSCGKSA-N 0 3 287.363 2.434 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000769310599 646241488 /nfs/dbraw/zinc/24/14/88/646241488.db2.gz IVOAOOJAUIEOJZ-ZDUSSCGKSA-N 0 3 287.363 2.434 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000769937167 646336534 /nfs/dbraw/zinc/33/65/34/646336534.db2.gz NJBJYWJGKHXANV-MASHWEEQSA-N 0 3 265.353 2.208 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1[O-] ZINC000775131815 646926158 /nfs/dbraw/zinc/92/61/58/646926158.db2.gz WKFMYZQGNFPONS-KBPBESRZSA-N 0 3 287.359 2.483 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCn3ccnc3C2)c([O-])c1 ZINC000778187718 647207028 /nfs/dbraw/zinc/20/70/28/647207028.db2.gz KUAMRUOMOWCGAL-ZDUSSCGKSA-N 0 3 287.363 2.092 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(CCO)CC2)c([O-])c1 ZINC000778215926 647211702 /nfs/dbraw/zinc/21/17/02/647211702.db2.gz GVSWXQYRLIMAPQ-UHFFFAOYSA-N 0 3 265.353 2.043 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000783518694 647723875 /nfs/dbraw/zinc/72/38/75/647723875.db2.gz NQWFHYGNYOOFQQ-VXGBXAGGSA-N 0 3 253.342 2.094 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([O-])c1 ZINC000788971056 648239537 /nfs/dbraw/zinc/23/95/37/648239537.db2.gz ANOFTWQARCLTTG-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN Cc1c(CN(C)Cc2cc(C)ccc2O)cnn1C ZINC000790939001 648463010 /nfs/dbraw/zinc/46/30/10/648463010.db2.gz XZZWCIDRLDBCCV-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN CN(C)c1ccc(C[NH2+]Cc2ncccc2[O-])cc1 ZINC000793255760 648732015 /nfs/dbraw/zinc/73/20/15/648732015.db2.gz AAZCYAUESYWLIY-UHFFFAOYSA-N 0 3 257.337 2.143 20 10 CECDHN CCOc1ccc(C[NH2+]CCN2CC=CCC2)c([O-])c1 ZINC000793318914 648742122 /nfs/dbraw/zinc/74/21/22/648742122.db2.gz JGPSBBSGGDIZNN-UHFFFAOYSA-N 0 3 276.380 2.142 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793619144 648782698 /nfs/dbraw/zinc/78/26/98/648782698.db2.gz FVFZYCZWMOKDMH-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000793619144 648782700 /nfs/dbraw/zinc/78/27/00/648782700.db2.gz FVFZYCZWMOKDMH-MRXNPFEDSA-N 0 3 277.364 2.403 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000872127364 649285498 /nfs/dbraw/zinc/28/54/98/649285498.db2.gz VHCGOZYDJTZSCO-QFOLPQNPSA-N 0 3 265.328 2.440 20 10 CECDHN CCCOc1ccc(CN[C@H]2C(=O)NCC[C@@H]2C)cc1C ZINC000873122545 649562938 /nfs/dbraw/zinc/56/29/38/649562938.db2.gz SUCMNDSHNREMCT-BLLLJJGKSA-N 0 3 290.407 2.398 20 10 CECDHN CCCOc1ccc(CN[C@@H](CC)C(=O)NC)cc1C ZINC000873129671 649565180 /nfs/dbraw/zinc/56/51/80/649565180.db2.gz PSUVXZJOENPHNS-AWEZNQCLSA-N 0 3 278.396 2.398 20 10 CECDHN CCCOc1ccc(CN[C@@H]2COC[C@H]2OC)cc1C ZINC000873133898 649566511 /nfs/dbraw/zinc/56/65/11/649566511.db2.gz LCJJUUXLJBCIDG-GDBMZVCRSA-N 0 3 279.380 2.287 20 10 CECDHN C[C@H]([NH2+]CCc1nnc2ccccn21)c1ccccc1[O-] ZINC000020128210 649728662 /nfs/dbraw/zinc/72/86/62/649728662.db2.gz FVHVXNUTTWVWOF-LBPRGKRZSA-N 0 3 282.347 2.328 20 10 CECDHN C[C@H](NCC(=O)Nc1ccccn1)c1ccc(N(C)C)cc1 ZINC000878455004 651101749 /nfs/dbraw/zinc/10/17/49/651101749.db2.gz MPMBPACQJMVBLQ-ZDUSSCGKSA-N 0 3 298.390 2.437 20 10 CECDHN Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccccc2[O-])no1 ZINC000879648133 651335025 /nfs/dbraw/zinc/33/50/25/651335025.db2.gz ZLWOSFWFUYXMRY-LLVKDONJSA-N 0 3 289.335 2.368 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccccc1[O-] ZINC000879649284 651335473 /nfs/dbraw/zinc/33/54/73/651335473.db2.gz PFPFIZLKWUJDDJ-BDAKNGLRSA-N 0 3 290.285 2.110 20 10 CECDHN CC(C)OC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650407 651335847 /nfs/dbraw/zinc/33/58/47/651335847.db2.gz ZUGQQZMMWSGZDG-NSHDSACASA-N 0 3 251.326 2.385 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)COCc1ccco1)c1ccccc1[O-] ZINC000879651564 651335992 /nfs/dbraw/zinc/33/59/92/651335992.db2.gz BFIJXCSMBFESOU-QWHCGFSZSA-N 0 3 291.347 2.214 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1[O-] ZINC000879651565 651336066 /nfs/dbraw/zinc/33/60/66/651336066.db2.gz BFIJXCSMBFESOU-STQMWFEESA-N 0 3 291.347 2.214 20 10 CECDHN C[C@H]1CN(Cc2cc(Br)ccc2[O-])C[C@H](C)[NH2+]1 ZINC000212466804 652170008 /nfs/dbraw/zinc/17/00/08/652170008.db2.gz QDWNCWOOKKQAAM-UWVGGRQHSA-N 0 3 299.212 2.337 20 10 CECDHN CCN1CC[C@@H]1CNCc1cc(F)c(N(C)C)cc1F ZINC000883358386 652441822 /nfs/dbraw/zinc/44/18/22/652441822.db2.gz JQLSWTIREAYTIY-GFCCVEGCSA-N 0 3 283.366 2.215 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883366674 652445803 /nfs/dbraw/zinc/44/58/03/652445803.db2.gz YDSXVZILEJAROY-VIFPVBQESA-N 0 3 285.212 2.040 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(CC3CC3)C2)c([O-])c1 ZINC000883395131 652454410 /nfs/dbraw/zinc/45/44/10/652454410.db2.gz NVLKKRHCSBNYKF-GXTWGEPZSA-N 0 3 288.391 2.362 20 10 CECDHN COc1ccc(O)c(C[NH2+]Cc2ccccc2[O-])c1 ZINC000134650436 652868356 /nfs/dbraw/zinc/86/83/56/652868356.db2.gz YCZIAMCSIODEBX-UHFFFAOYSA-N 0 3 259.305 2.396 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](C)C(=O)OC ZINC001208721800 802404482 /nfs/dbraw/zinc/40/44/82/802404482.db2.gz ASPZBBFVZBQPMM-NSHDSACASA-N 0 3 251.326 2.023 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](C)C(=O)OC ZINC001208721800 802404486 /nfs/dbraw/zinc/40/44/86/802404486.db2.gz ASPZBBFVZBQPMM-NSHDSACASA-N 0 3 251.326 2.023 20 10 CECDHN CC[N@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001140468606 802964626 /nfs/dbraw/zinc/96/46/26/802964626.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 0 3 280.799 2.429 20 10 CECDHN CC[N@@H+]1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001140468606 802964630 /nfs/dbraw/zinc/96/46/30/802964630.db2.gz QHMQJTMKJKTZLQ-BETUJISGSA-N 0 3 280.799 2.429 20 10 CECDHN Cc1cc(CN(C)CCN2CCCC2=O)ccc1N(C)C ZINC000815047477 813336095 /nfs/dbraw/zinc/33/60/95/813336095.db2.gz ITLMHKXAWQXBCI-UHFFFAOYSA-N 0 3 289.423 2.115 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]3COC[C@@H]3O2)c([O-])c1 ZINC000724604304 803193793 /nfs/dbraw/zinc/19/37/93/803193793.db2.gz OBEDGZXCYNKNIH-JXFSHQFZSA-N 0 3 277.364 2.155 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@H]3CCCO[C@@H]3C2)c1 ZINC001141156080 803757911 /nfs/dbraw/zinc/75/79/11/803757911.db2.gz DTYRSXAKUVHVPP-IAQYHMDHSA-N 0 3 263.337 2.099 20 10 CECDHN Cc1cc(CN2CC(C)(C[NH3+])C2)c([O-])cc1Br ZINC001206745362 804653529 /nfs/dbraw/zinc/65/35/29/804653529.db2.gz VQIYZJAOBTYEGK-UHFFFAOYSA-N 0 3 299.212 2.244 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000769455680 808454905 /nfs/dbraw/zinc/45/49/05/808454905.db2.gz ICVUNVIXDZYSHF-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000769455680 808454910 /nfs/dbraw/zinc/45/49/10/808454910.db2.gz ICVUNVIXDZYSHF-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN C[C@@H](N[C@@H]1CCN(C2CC2)C1=O)c1ccc(N(C)C)cc1 ZINC001116673901 808862414 /nfs/dbraw/zinc/86/24/14/808862414.db2.gz QICMWGHIJBCKBL-MLGOLLRUSA-N 0 3 287.407 2.167 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](OC)C2)c1[O-] ZINC000706533201 809833566 /nfs/dbraw/zinc/83/35/66/809833566.db2.gz HHRYJQAMEKKCCI-XYPYZODXSA-N 0 3 271.744 2.321 20 10 CECDHN COC(=O)c1cnc(C2=CCCN(C)C2)c2ccn(C)c21 ZINC001241565180 811113595 /nfs/dbraw/zinc/11/35/95/811113595.db2.gz GHBFBCVOUOOAMD-UHFFFAOYSA-N 0 3 285.347 2.079 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035534 811345267 /nfs/dbraw/zinc/34/52/67/811345267.db2.gz BXXPYKBOIQOBCX-YPMHNXCESA-N 0 3 264.325 2.269 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169035534 811345274 /nfs/dbraw/zinc/34/52/74/811345274.db2.gz BXXPYKBOIQOBCX-YPMHNXCESA-N 0 3 264.325 2.269 20 10 CECDHN CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172917382 815544825 /nfs/dbraw/zinc/54/48/25/815544825.db2.gz FZVLUVMTZQSHOB-AAEUAGOBSA-N 0 3 251.326 2.145 20 10 CECDHN CCCN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000389205085 813249474 /nfs/dbraw/zinc/24/94/74/813249474.db2.gz ATUONIACFVAWCX-KBPBESRZSA-N 0 3 260.381 2.453 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCOC(F)(F)F ZINC000398161454 813659986 /nfs/dbraw/zinc/65/99/86/813659986.db2.gz JKFVKAJEJPPADL-UHFFFAOYSA-N 0 3 253.195 2.157 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000712650254 814759553 /nfs/dbraw/zinc/75/95/53/814759553.db2.gz GQICRRYYZGLQNH-AWEZNQCLSA-N 0 3 277.364 2.068 20 10 CECDHN CCN1CC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000712541340 814765170 /nfs/dbraw/zinc/76/51/70/814765170.db2.gz DPKFGAYMTDJWEP-JQWIXIFHSA-N 0 3 252.333 2.276 20 10 CECDHN COc1ccc(CNCc2ccc[nH]c2=O)cc1C ZINC000714957335 814923746 /nfs/dbraw/zinc/92/37/46/814923746.db2.gz WWRRYBRYWCCJTH-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@]1(C)O ZINC001140058238 816180425 /nfs/dbraw/zinc/18/04/25/816180425.db2.gz WCBSIHKDBQIWST-IINYFYTJSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@]1(C)O ZINC001140058238 816180428 /nfs/dbraw/zinc/18/04/28/816180428.db2.gz WCBSIHKDBQIWST-IINYFYTJSA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@](F)(CO)CC1 ZINC001140058222 816181379 /nfs/dbraw/zinc/18/13/79/816181379.db2.gz VMDQDGJNXBDECA-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001140058222 816181382 /nfs/dbraw/zinc/18/13/82/816181382.db2.gz VMDQDGJNXBDECA-CQSZACIVSA-N 0 3 271.307 2.218 20 10 CECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@]1(C)O ZINC001140058237 816181777 /nfs/dbraw/zinc/18/17/77/816181777.db2.gz WCBSIHKDBQIWST-HZMBPMFUSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@]1(C)O ZINC001140058237 816181783 /nfs/dbraw/zinc/18/17/83/816181783.db2.gz WCBSIHKDBQIWST-HZMBPMFUSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1cccc(O)c1CN1CC[C@](N)(C(F)(F)F)C1 ZINC001206250574 816217262 /nfs/dbraw/zinc/21/72/62/816217262.db2.gz HZJMBTLOAGRCFQ-GFCCVEGCSA-N 0 3 274.286 2.166 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3cccnc3)CC2)c1 ZINC001140619943 816304507 /nfs/dbraw/zinc/30/45/07/816304507.db2.gz VTMGUDXGJLOAIQ-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@](O)(CF)CC2)c([O-])c1 ZINC001140948090 816422755 /nfs/dbraw/zinc/42/27/55/816422755.db2.gz SGQCWRMJXSQPSR-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@](O)(CF)CC2)c([O-])c1 ZINC001140948090 816422759 /nfs/dbraw/zinc/42/27/59/816422759.db2.gz SGQCWRMJXSQPSR-HNNXBMFYSA-N 0 3 267.344 2.387 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@@](C)(O)C2)c(OC)c1 ZINC001141032217 816453134 /nfs/dbraw/zinc/45/31/34/816453134.db2.gz WGFSDGBPFSHDLS-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@@](C)(O)C2)c(OC)c1 ZINC001141032217 816453135 /nfs/dbraw/zinc/45/31/35/816453135.db2.gz WGFSDGBPFSHDLS-MRXNPFEDSA-N 0 3 295.379 2.146 20 10 CECDHN CCN(CC[NH+](C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142502888 816675294 /nfs/dbraw/zinc/67/52/94/816675294.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN CC[N@H+](CCN(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142502888 816675297 /nfs/dbraw/zinc/67/52/97/816675297.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN CC[N@@H+](CCN(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142502888 816675300 /nfs/dbraw/zinc/67/53/00/816675300.db2.gz ZLHROCOANSYRQU-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000123253512 365635540 /nfs/dbraw/zinc/63/55/40/365635540.db2.gz FLSPEXHJZMOSSA-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000123253512 365635545 /nfs/dbraw/zinc/63/55/45/365635545.db2.gz FLSPEXHJZMOSSA-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN CC[C@@H](C)NC(=O)CCNCc1ccc2c(c1)CCO2 ZINC000038014257 361981315 /nfs/dbraw/zinc/98/13/15/361981315.db2.gz ZAKCBQDWCCDLGR-GFCCVEGCSA-N 0 3 276.380 2.016 20 10 CECDHN COc1cccc(C[NH2+]CC2(CCO)CCCC2)c1[O-] ZINC000072925708 343815610 /nfs/dbraw/zinc/81/56/10/343815610.db2.gz PCYLJVCXZGHTPK-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000362044176 344809300 /nfs/dbraw/zinc/80/93/00/344809300.db2.gz HGJHLSUCRQCOLY-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000362044176 344809302 /nfs/dbraw/zinc/80/93/02/344809302.db2.gz HGJHLSUCRQCOLY-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3OCCC[C@@H]3C1)OCO2 ZINC000129050712 365821153 /nfs/dbraw/zinc/82/11/53/365821153.db2.gz UIPHSDPSGPAAGP-RISCZKNCSA-N 0 3 291.347 2.122 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3OCCC[C@@H]3C1)OCO2 ZINC000129050712 365821157 /nfs/dbraw/zinc/82/11/57/365821157.db2.gz UIPHSDPSGPAAGP-RISCZKNCSA-N 0 3 291.347 2.122 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128219576 260373193 /nfs/dbraw/zinc/37/31/93/260373193.db2.gz PLNOHVBZBSVPQD-VXGBXAGGSA-N 0 3 285.771 2.303 20 10 CECDHN CCN(CC)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019919479 361567286 /nfs/dbraw/zinc/56/72/86/361567286.db2.gz TZECVXSRSGFAKP-LBPRGKRZSA-N 0 3 266.385 2.393 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093506641 364193568 /nfs/dbraw/zinc/19/35/68/364193568.db2.gz KORRKFBCILBXLX-OCCSQVGLSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093506641 364193572 /nfs/dbraw/zinc/19/35/72/364193572.db2.gz KORRKFBCILBXLX-OCCSQVGLSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000159951138 366960721 /nfs/dbraw/zinc/96/07/21/366960721.db2.gz AEBVMJATUNGZEW-LBPRGKRZSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000179749730 368350214 /nfs/dbraw/zinc/35/02/14/368350214.db2.gz HLNDBLJIVRGLST-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000179749730 368350220 /nfs/dbraw/zinc/35/02/20/368350220.db2.gz HLNDBLJIVRGLST-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@@H](OC)C2)c1 ZINC000179749730 368350222 /nfs/dbraw/zinc/35/02/22/368350222.db2.gz HLNDBLJIVRGLST-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN C[NH+](C)C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180230750 368372886 /nfs/dbraw/zinc/37/28/86/368372886.db2.gz IFXMRMOHTBOBFZ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180230750 368372891 /nfs/dbraw/zinc/37/28/91/368372891.db2.gz IFXMRMOHTBOBFZ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180230750 368372895 /nfs/dbraw/zinc/37/28/95/368372895.db2.gz IFXMRMOHTBOBFZ-LLVKDONJSA-N 0 3 268.788 2.429 20 10 CECDHN C[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[O-] ZINC000179879253 368357295 /nfs/dbraw/zinc/35/72/95/368357295.db2.gz ALOIPBIJJSJGKK-LBPRGKRZSA-N 0 3 262.353 2.055 20 10 CECDHN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000179895985 368357346 /nfs/dbraw/zinc/35/73/46/368357346.db2.gz SEODMLLVZASLGJ-DGCLKSJQSA-N 0 3 262.353 2.052 20 10 CECDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180215670 368373391 /nfs/dbraw/zinc/37/33/91/368373391.db2.gz XSYTYCWGCYJQKC-GFCCVEGCSA-N 0 3 283.343 2.016 20 10 CECDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180215670 368373394 /nfs/dbraw/zinc/37/33/94/368373394.db2.gz XSYTYCWGCYJQKC-GFCCVEGCSA-N 0 3 283.343 2.016 20 10 CECDHN COCC1=CC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000187616620 369188917 /nfs/dbraw/zinc/18/89/17/369188917.db2.gz NFLKMNKZFBFRQE-UHFFFAOYSA-N 0 3 251.301 2.310 20 10 CECDHN COCC1=CC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000187616620 369188921 /nfs/dbraw/zinc/18/89/21/369188921.db2.gz NFLKMNKZFBFRQE-UHFFFAOYSA-N 0 3 251.301 2.310 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NC[C@H](O)C(F)(F)F)c1 ZINC000230659195 370462139 /nfs/dbraw/zinc/46/21/39/370462139.db2.gz QRJSPHPXBIVDQR-KCJUWKMLSA-N 0 3 263.259 2.274 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCCc1nccs1)OCO2 ZINC000265519931 372021670 /nfs/dbraw/zinc/02/16/70/372021670.db2.gz HPQCDMVUUJKGFQ-UHFFFAOYSA-N 0 3 292.360 2.300 20 10 CECDHN CCCOc1ccc(C[N@H+](CCO)C(C)C)c([O-])c1 ZINC000271018858 373070539 /nfs/dbraw/zinc/07/05/39/373070539.db2.gz APJONFVKSSBGRY-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](CCO)C(C)C)c([O-])c1 ZINC000271018858 373070548 /nfs/dbraw/zinc/07/05/48/373070548.db2.gz APJONFVKSSBGRY-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCC1(O)CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000271187884 373168928 /nfs/dbraw/zinc/16/89/28/373168928.db2.gz KFZSWBDZNVWMEZ-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774298 373122691 /nfs/dbraw/zinc/12/26/91/373122691.db2.gz QMBPUTAQYWHSLM-RYUDHWBXSA-N 0 3 265.353 2.430 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000366774298 373122698 /nfs/dbraw/zinc/12/26/98/373122698.db2.gz QMBPUTAQYWHSLM-RYUDHWBXSA-N 0 3 265.353 2.430 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1[O-] ZINC000367691114 373182368 /nfs/dbraw/zinc/18/23/68/373182368.db2.gz WFITXSIAKLXBRD-XYYAHUGASA-N 0 3 267.756 2.336 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000271714469 373198192 /nfs/dbraw/zinc/19/81/92/373198192.db2.gz HUAGDXPADYLRPR-SNVBAGLBSA-N 0 3 255.745 2.168 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000271714469 373198206 /nfs/dbraw/zinc/19/82/06/373198206.db2.gz HUAGDXPADYLRPR-SNVBAGLBSA-N 0 3 255.745 2.168 20 10 CECDHN CCC1(O)CC[NH+](Cc2cc(OC)ccc2[O-])CC1 ZINC000271869820 373202613 /nfs/dbraw/zinc/20/26/13/373202613.db2.gz RUXWSQNUZRBBBN-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCC1(O)CCN(Cc2cc(OC)ccc2O)CC1 ZINC000271869820 373202626 /nfs/dbraw/zinc/20/26/26/373202626.db2.gz RUXWSQNUZRBBBN-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000272241887 373380041 /nfs/dbraw/zinc/38/00/41/373380041.db2.gz GRYJXGYEQCVLDP-CYBMUJFWSA-N 0 3 275.348 2.167 20 10 CECDHN CCC[C@](C)(N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000272399902 373465153 /nfs/dbraw/zinc/46/51/53/373465153.db2.gz ZHRDKJATZQHAGU-KRWDZBQOSA-N 0 3 289.423 2.421 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000272520636 373530878 /nfs/dbraw/zinc/53/08/78/373530878.db2.gz YFPDBPGHVAHJJS-GXSJLCMTSA-N 0 3 281.249 2.323 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@]12CCCO2 ZINC000272650472 373600403 /nfs/dbraw/zinc/60/04/03/373600403.db2.gz FKXSDGITPSEBCV-OAGGEKHMSA-N 0 3 277.364 2.208 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1C ZINC000273541970 373762961 /nfs/dbraw/zinc/76/29/61/373762961.db2.gz YIPTZGTWRIKXCB-STQMWFEESA-N 0 3 288.391 2.423 20 10 CECDHN CCOC(=O)N1CC[C@@H](NCc2ccc(OC)c(C)c2)C1 ZINC000274411856 373913257 /nfs/dbraw/zinc/91/32/57/373913257.db2.gz DQSBODXHLROBIX-CQSZACIVSA-N 0 3 292.379 2.324 20 10 CECDHN CN(CCC[NH+]1CCCC1)Cc1cc(F)ccc1[O-] ZINC000281218925 375364233 /nfs/dbraw/zinc/36/42/33/375364233.db2.gz KGWKKVIBGBDYMB-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN C[N@H+](CCCN1CCCC1)Cc1cccc(F)c1[O-] ZINC000281324081 375370867 /nfs/dbraw/zinc/37/08/67/375370867.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN C[N@@H+](CCCN1CCCC1)Cc1cccc(F)c1[O-] ZINC000281324081 375370873 /nfs/dbraw/zinc/37/08/73/375370873.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN CN(CCC[NH+]1CCCC1)Cc1cccc(F)c1[O-] ZINC000281324081 375370876 /nfs/dbraw/zinc/37/08/76/375370876.db2.gz RKJLGXFYCYQBCR-UHFFFAOYSA-N 0 3 266.360 2.449 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)NCCF)cc1 ZINC000282650424 375539797 /nfs/dbraw/zinc/53/97/97/375539797.db2.gz HZUGZOCBGPNEHY-STQMWFEESA-N 0 3 295.402 2.268 20 10 CECDHN C[C@H]([NH2+]CCC1(O)CCC1)c1cc(F)ccc1[O-] ZINC000284382068 375827014 /nfs/dbraw/zinc/82/70/14/375827014.db2.gz OMQFDTWSVYMMOM-JTQLQIEISA-N 0 3 253.317 2.487 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC(C)(C)C(=O)OC)c1 ZINC000285370300 375838011 /nfs/dbraw/zinc/83/80/11/375838011.db2.gz CBKJTLUBOFMFNZ-UHFFFAOYSA-N 0 3 295.379 2.470 20 10 CECDHN CCCCN(C)C[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000288708003 376381960 /nfs/dbraw/zinc/38/19/60/376381960.db2.gz ZCAQLNPFXUZLJV-LBPRGKRZSA-N 0 3 294.395 2.331 20 10 CECDHN CCN(CC)c1ccc(CN(C)[C@H](C)CO)cc1F ZINC000289176399 376389452 /nfs/dbraw/zinc/38/94/52/376389452.db2.gz ABEWAOFJCWLBOV-GFCCVEGCSA-N 0 3 268.376 2.485 20 10 CECDHN CNC(=O)CCC[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000293720358 377719190 /nfs/dbraw/zinc/71/91/90/377719190.db2.gz MLIQPFNMQRRBGC-GFCCVEGCSA-N 0 3 264.369 2.186 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000294114384 377909505 /nfs/dbraw/zinc/90/95/05/377909505.db2.gz SUSMCAPXALMXKS-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000294114384 377909510 /nfs/dbraw/zinc/90/95/10/377909510.db2.gz SUSMCAPXALMXKS-CYBMUJFWSA-N 0 3 265.353 2.138 20 10 CECDHN Cc1nccnc1CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000295071808 378038475 /nfs/dbraw/zinc/03/84/75/378038475.db2.gz SCXTYYRKFJCDRG-LLVKDONJSA-N 0 3 257.337 2.384 20 10 CECDHN Cc1cc(Br)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294808299 378021585 /nfs/dbraw/zinc/02/15/85/378021585.db2.gz JCGRAQKNBQDOBY-PHIMTYICSA-N 0 3 286.169 2.076 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000294838148 378022636 /nfs/dbraw/zinc/02/26/36/378022636.db2.gz RPPYVHGYCOUOIA-CZUORRHYSA-N 0 3 293.407 2.447 20 10 CECDHN O=C(CC[NH2+][C@H]1CCc2cccc([O-])c21)N1CCCCC1 ZINC000296143935 378430451 /nfs/dbraw/zinc/43/04/51/378430451.db2.gz WHMUMQURQOHKDX-AWEZNQCLSA-N 0 3 288.391 2.372 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCNc1ccccn1)CC2 ZINC000297682910 378688181 /nfs/dbraw/zinc/68/81/81/378688181.db2.gz LPJQWQCMVDWMCI-ZDUSSCGKSA-N 0 3 269.348 2.476 20 10 CECDHN O=C1NCCC[C@@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000050394747 284881416 /nfs/dbraw/zinc/88/14/16/284881416.db2.gz CUHILOQUFBUNAC-INIZCTEOSA-N 0 3 287.407 2.045 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c1 ZINC000185638499 262063580 /nfs/dbraw/zinc/06/35/80/262063580.db2.gz WDXJKCBEJXTYDL-BXUZGUMPSA-N 0 3 267.394 2.219 20 10 CECDHN CCN(CC)c1ccc(CN(CCO)CCOC)cc1F ZINC000093005768 394665117 /nfs/dbraw/zinc/66/51/17/394665117.db2.gz PITODXFYTVKYTH-UHFFFAOYSA-N 0 3 298.402 2.113 20 10 CECDHN CCN1CCCC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853222 394721082 /nfs/dbraw/zinc/72/10/82/394721082.db2.gz IPBBBWZWOJVYLB-AWEZNQCLSA-N 0 3 276.380 2.225 20 10 CECDHN COCCn1cc(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])cn1 ZINC000281912935 394873947 /nfs/dbraw/zinc/87/39/47/394873947.db2.gz ABSWQYYRIXGYPX-NSHDSACASA-N 0 3 293.342 2.225 20 10 CECDHN CO[C@H](C)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182333866 395239149 /nfs/dbraw/zinc/23/91/49/395239149.db2.gz IYWJLRSLMXSZHH-HIFRSBDPSA-N 0 3 279.380 2.408 20 10 CECDHN CO[C@H](C)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000182333866 395239157 /nfs/dbraw/zinc/23/91/57/395239157.db2.gz IYWJLRSLMXSZHH-HIFRSBDPSA-N 0 3 279.380 2.408 20 10 CECDHN COCCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179573969 395196714 /nfs/dbraw/zinc/19/67/14/395196714.db2.gz BCMNUVPCWAIHKB-UHFFFAOYSA-N 0 3 265.353 2.020 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)c1ccccc1[O-] ZINC000188487586 395316044 /nfs/dbraw/zinc/31/60/44/395316044.db2.gz JPRWAYBNVUQSBQ-DGCLKSJQSA-N 0 3 264.369 2.300 20 10 CECDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N(CC)CC)cc1 ZINC000188468735 395316429 /nfs/dbraw/zinc/31/64/29/395316429.db2.gz XYASKUSVXUBQMF-AWEZNQCLSA-N 0 3 291.439 2.489 20 10 CECDHN CN(C)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCC1 ZINC000296533423 395321305 /nfs/dbraw/zinc/32/13/05/395321305.db2.gz RVCKNGOIYDAQPP-ZDUSSCGKSA-N 0 3 260.381 2.453 20 10 CECDHN CN(Cc1ccccc1O)C(=O)C1CCN(C2CC2)CC1 ZINC000194749231 395447687 /nfs/dbraw/zinc/44/76/87/395447687.db2.gz YEVCBDVHJULYAI-UHFFFAOYSA-N 0 3 288.391 2.225 20 10 CECDHN Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)c([O-])c1O ZINC000181784491 400289975 /nfs/dbraw/zinc/28/99/75/400289975.db2.gz PBUKVIYZSXICPY-UHFFFAOYSA-N 0 3 292.379 2.012 20 10 CECDHN COc1ccc(CN[C@@H](C)[C@@H](CO)SC)cc1C ZINC000219070419 419463060 /nfs/dbraw/zinc/46/30/60/419463060.db2.gz MJDOZKVMJSMPLJ-SMDDNHRTSA-N 0 3 269.410 2.206 20 10 CECDHN CCCNC(=O)CN[C@H](CC)c1ccc(N(C)C)cc1 ZINC000158329272 261163568 /nfs/dbraw/zinc/16/35/68/261163568.db2.gz FGVJEZUQCZJKQS-OAHLLOKOSA-N 0 3 277.412 2.320 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000184888651 262032477 /nfs/dbraw/zinc/03/24/77/262032477.db2.gz OIYWPVJQBYNDKS-ZDUSSCGKSA-N 0 3 276.380 2.364 20 10 CECDHN CCNC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccc(C)cc2[O-])C1 ZINC000186110138 262080009 /nfs/dbraw/zinc/08/00/09/262080009.db2.gz AIWLSAUPPXWWLJ-STQMWFEESA-N 0 3 291.395 2.155 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000186223907 262312376 /nfs/dbraw/zinc/31/23/76/262312376.db2.gz SNCDZJGLPFMPCF-LLVKDONJSA-N 0 3 264.369 2.123 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000186902179 262328457 /nfs/dbraw/zinc/32/84/57/262328457.db2.gz BNXUBZPGRKLIAA-DTWKUNHWSA-N 0 3 288.185 2.495 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCO)c1[O-] ZINC000186939274 262331056 /nfs/dbraw/zinc/33/10/56/262331056.db2.gz GCFIKCKHFABFBD-MRVPVSSYSA-N 0 3 274.158 2.106 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000311738965 262340218 /nfs/dbraw/zinc/34/02/18/262340218.db2.gz AZEBJCQABNAVEP-OAHLLOKOSA-N 0 3 263.337 2.156 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000311738965 262340219 /nfs/dbraw/zinc/34/02/19/262340219.db2.gz AZEBJCQABNAVEP-OAHLLOKOSA-N 0 3 263.337 2.156 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000219886707 262350932 /nfs/dbraw/zinc/35/09/32/262350932.db2.gz SMISRQXKBQMJBK-ZYHUDNBSSA-N 0 3 251.326 2.058 20 10 CECDHN CCOc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289756006 263111770 /nfs/dbraw/zinc/11/17/70/263111770.db2.gz QVZOPEMRAMPYDG-CHWSQXEVSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289756006 263111771 /nfs/dbraw/zinc/11/17/71/263111771.db2.gz QVZOPEMRAMPYDG-CHWSQXEVSA-N 0 3 265.353 2.136 20 10 CECDHN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000293951519 264990332 /nfs/dbraw/zinc/99/03/32/264990332.db2.gz IUQOZPNDBNFQRZ-YGRLFVJLSA-N 0 3 253.317 2.172 20 10 CECDHN COc1cc(O)c(CN2CCOCC[C@@H]2C)cc1OC ZINC000367684348 267108718 /nfs/dbraw/zinc/10/87/18/267108718.db2.gz MZNSGAUFCOVCNJ-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000368041617 267140956 /nfs/dbraw/zinc/14/09/56/267140956.db2.gz UQHMMJKPLBSSGX-NQBHXWOUSA-N 0 3 253.317 2.248 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000368041617 267140958 /nfs/dbraw/zinc/14/09/58/267140958.db2.gz UQHMMJKPLBSSGX-NQBHXWOUSA-N 0 3 253.317 2.248 20 10 CECDHN C[C@@H]1CCOCCN1Cc1ccc(N2CCOCC2)cc1 ZINC000368593792 267189685 /nfs/dbraw/zinc/18/96/85/267189685.db2.gz PUNCLWQTLGJHJL-OAHLLOKOSA-N 0 3 290.407 2.134 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CC3)C1)OCO2 ZINC000371259746 267379032 /nfs/dbraw/zinc/37/90/32/267379032.db2.gz VBFYPFFOGBAOSH-NSHDSACASA-N 0 3 261.321 2.353 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CC3)C1)OCO2 ZINC000371259746 267379035 /nfs/dbraw/zinc/37/90/35/267379035.db2.gz VBFYPFFOGBAOSH-NSHDSACASA-N 0 3 261.321 2.353 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)OCO2 ZINC000371259745 267379494 /nfs/dbraw/zinc/37/94/94/267379494.db2.gz VBFYPFFOGBAOSH-LLVKDONJSA-N 0 3 261.321 2.353 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)OCO2 ZINC000371259745 267379497 /nfs/dbraw/zinc/37/94/97/267379497.db2.gz VBFYPFFOGBAOSH-LLVKDONJSA-N 0 3 261.321 2.353 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296401113 275455696 /nfs/dbraw/zinc/45/56/96/275455696.db2.gz KIDZLIZYCMALMO-UKRRQHHQSA-N 0 3 288.391 2.228 20 10 CECDHN CC(C)[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283855490 280346085 /nfs/dbraw/zinc/34/60/85/280346085.db2.gz HRHDFIYDGBFTBM-NVXWUHKLSA-N 0 3 293.407 2.390 20 10 CECDHN CC(C)[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000283855490 280346086 /nfs/dbraw/zinc/34/60/86/280346086.db2.gz HRHDFIYDGBFTBM-NVXWUHKLSA-N 0 3 293.407 2.390 20 10 CECDHN C[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000293387639 298778914 /nfs/dbraw/zinc/77/89/14/298778914.db2.gz ISPHMYNNJISUTK-MNOVXSKESA-N 0 3 254.349 2.380 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCC2)c1 ZINC000281236565 301654187 /nfs/dbraw/zinc/65/41/87/301654187.db2.gz VAVZKDVZAIVZLM-GFCCVEGCSA-N 0 3 297.420 2.319 20 10 CECDHN COc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179298 313280699 /nfs/dbraw/zinc/28/06/99/313280699.db2.gz SKKWZARDAMZDEE-CYBMUJFWSA-N 0 3 296.798 2.428 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c([O-])c1 ZINC000367436857 327828393 /nfs/dbraw/zinc/82/83/93/327828393.db2.gz HMKREBBJDLCNFP-KHIZAZIESA-N 0 3 288.391 2.408 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(C)C(=O)C1 ZINC000377713998 329026661 /nfs/dbraw/zinc/02/66/61/329026661.db2.gz CWXMMYOCWXHIBK-CYBMUJFWSA-N 0 3 262.353 2.007 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(C)C(=O)C1 ZINC000377713998 329026662 /nfs/dbraw/zinc/02/66/62/329026662.db2.gz CWXMMYOCWXHIBK-CYBMUJFWSA-N 0 3 262.353 2.007 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168841559 329059955 /nfs/dbraw/zinc/05/99/55/329059955.db2.gz DJEMVQXTELVNAJ-AUSHCKSDSA-N 0 3 273.373 2.339 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1OC ZINC000188567993 329369818 /nfs/dbraw/zinc/36/98/18/329369818.db2.gz DGIKIDRBKCJNIE-YRGRVCCFSA-N 0 3 293.363 2.067 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1OC ZINC000188568042 329369967 /nfs/dbraw/zinc/36/99/67/329369967.db2.gz DGIKIDRBKCJNIE-BZPMIXESSA-N 0 3 293.363 2.067 20 10 CECDHN CCn1nncc1CN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000527918870 330295467 /nfs/dbraw/zinc/29/54/67/330295467.db2.gz FJWAXRJOBBWWJW-SKDRFNHKSA-N 0 3 290.342 2.481 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@](C)(OC)C2)c1 ZINC000230299787 333316118 /nfs/dbraw/zinc/31/61/18/333316118.db2.gz NFJBADFMTVTPCC-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@](C)(OC)C2)c1 ZINC000230299787 333316119 /nfs/dbraw/zinc/31/61/19/333316119.db2.gz NFJBADFMTVTPCC-HNNXBMFYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c1 ZINC000529667922 333504858 /nfs/dbraw/zinc/50/48/58/333504858.db2.gz BNZVELHFXPTMAE-OZWUEAAUSA-N 0 3 265.353 2.302 20 10 CECDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000134650550 334099268 /nfs/dbraw/zinc/09/92/68/334099268.db2.gz BQELPOWFSPLSDT-INIZCTEOSA-N 0 3 257.333 2.390 20 10 CECDHN Cc1cccc(CN[C@H](C)C(=O)NC(C)(C)C)c1O ZINC000135760993 334138194 /nfs/dbraw/zinc/13/81/94/334138194.db2.gz SHOXBCLMJNJNEX-LLVKDONJSA-N 0 3 264.369 2.093 20 10 CECDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000188484088 520213780 /nfs/dbraw/zinc/21/37/80/520213780.db2.gz GGOYIHRRKPOPEL-RYUDHWBXSA-N 0 3 264.369 2.218 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000188484088 520213787 /nfs/dbraw/zinc/21/37/87/520213787.db2.gz GGOYIHRRKPOPEL-RYUDHWBXSA-N 0 3 264.369 2.218 20 10 CECDHN CCCOc1ccc(C[NH2+]CCC[C@H](C)O)c([O-])c1 ZINC000278685461 520366117 /nfs/dbraw/zinc/36/61/17/520366117.db2.gz PLLWESNHQBZVGM-LBPRGKRZSA-N 0 3 267.369 2.432 20 10 CECDHN CCCC[N@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000289466242 520506412 /nfs/dbraw/zinc/50/64/12/520506412.db2.gz OYQRKFZTZLUEAC-UHFFFAOYSA-N 0 3 281.352 2.105 20 10 CECDHN CCCC[N@@H+](CCCO)Cc1cc2c(cc1[O-])OCO2 ZINC000289466242 520506421 /nfs/dbraw/zinc/50/64/21/520506421.db2.gz OYQRKFZTZLUEAC-UHFFFAOYSA-N 0 3 281.352 2.105 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000293001621 521152355 /nfs/dbraw/zinc/15/23/55/521152355.db2.gz NBNXEQPXOYDBPE-BLLLJJGKSA-N 0 3 279.380 2.432 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@H](CC)c2ccccc2[O-])C1 ZINC000278472662 521652489 /nfs/dbraw/zinc/65/24/89/521652489.db2.gz NYMCXCCLLQSHOV-CXOJTPOUSA-N 0 3 279.380 2.363 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084063235 522946155 /nfs/dbraw/zinc/94/61/55/522946155.db2.gz CKFZPAOQMBPRSH-WCQYABFASA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228677165 523472646 /nfs/dbraw/zinc/47/26/46/523472646.db2.gz XOWTYMKPWOQTJC-CYBMUJFWSA-N 0 3 273.760 2.305 20 10 CECDHN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000087013369 523674850 /nfs/dbraw/zinc/67/48/50/523674850.db2.gz VHUVSCCVBZKAMQ-QMTHXVAHSA-N 0 3 253.342 2.212 20 10 CECDHN CO[C@H](CNCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000292901021 523951907 /nfs/dbraw/zinc/95/19/07/523951907.db2.gz DRPYNHRSDVSKEC-OAHLLOKOSA-N 0 3 266.360 2.406 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000290808212 524753276 /nfs/dbraw/zinc/75/32/76/524753276.db2.gz FWSQKRUKFDTUHZ-AWEZNQCLSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000037157739 524767367 /nfs/dbraw/zinc/76/73/67/524767367.db2.gz IKGIKPQDVNQYCH-VXGBXAGGSA-N 0 3 275.352 2.337 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000279709357 525341534 /nfs/dbraw/zinc/34/15/34/525341534.db2.gz SHXYKRFMWVMQMO-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c1 ZINC000126133426 525342065 /nfs/dbraw/zinc/34/20/65/525342065.db2.gz SYNWRYNFPIAQPU-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN Cc1ccc([C@H](C)NCCS(=O)(=O)C(C)C)c(O)c1C ZINC000290012612 525918946 /nfs/dbraw/zinc/91/89/46/525918946.db2.gz BTRXOYIFARWUDG-ZDUSSCGKSA-N 0 3 299.436 2.483 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS(=O)(=O)C2)c([O-])c1 ZINC000287128178 525922735 /nfs/dbraw/zinc/92/27/35/525922735.db2.gz RNOVYVBSQJIANP-STQMWFEESA-N 0 3 297.420 2.176 20 10 CECDHN Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000290374992 526267048 /nfs/dbraw/zinc/26/70/48/526267048.db2.gz ATDKUZCUZFPXAI-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cnn([C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000290374992 526267051 /nfs/dbraw/zinc/26/70/51/526267051.db2.gz ATDKUZCUZFPXAI-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cnn([C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000290822778 526268980 /nfs/dbraw/zinc/26/89/80/526268980.db2.gz GYWJSNGDVHIWPC-AWEZNQCLSA-N 0 3 275.327 2.483 20 10 CECDHN Cc1cnn([C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)c1 ZINC000290822778 526268981 /nfs/dbraw/zinc/26/89/81/526268981.db2.gz GYWJSNGDVHIWPC-AWEZNQCLSA-N 0 3 275.327 2.483 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000237949445 526374317 /nfs/dbraw/zinc/37/43/17/526374317.db2.gz IPLDJDYDYLLQOY-HNNXBMFYSA-N 0 3 257.333 2.085 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000263727051 527607134 /nfs/dbraw/zinc/60/71/34/527607134.db2.gz XMXCBTHVAAWTDX-AWEZNQCLSA-N 0 3 289.350 2.472 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000754080997 574522736 /nfs/dbraw/zinc/52/27/36/574522736.db2.gz VTUOJQNOWYUHPV-NSHDSACASA-N 0 3 265.353 2.448 20 10 CECDHN C[C@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247410 623321785 /nfs/dbraw/zinc/32/17/85/623321785.db2.gz HBCSCXWJNPQPPY-RCBQFDQVSA-N 0 3 289.423 2.128 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@](C)(O)C2CC2)c1[O-] ZINC000311881509 627712953 /nfs/dbraw/zinc/71/29/53/627712953.db2.gz YKRUWQYSSZJRDA-CQSZACIVSA-N 0 3 285.771 2.305 20 10 CECDHN Cc1cc(CNCCCSc2nccs2)nn1C ZINC000840899421 628169513 /nfs/dbraw/zinc/16/95/13/628169513.db2.gz MMMVRJXUGLMTQE-UHFFFAOYSA-N 0 3 282.438 2.457 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC(F)F ZINC000313912815 628664131 /nfs/dbraw/zinc/66/41/31/628664131.db2.gz IYIAHGSPKRBGCH-CYBMUJFWSA-N 0 3 299.365 2.084 20 10 CECDHN COCC[NH2+]Cc1cc(Br)cc(C)c1[O-] ZINC000162823147 628726238 /nfs/dbraw/zinc/72/62/38/628726238.db2.gz UDYGQOPVHIBBBM-UHFFFAOYSA-N 0 3 274.158 2.199 20 10 CECDHN CCOC1CC([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000218987821 628804995 /nfs/dbraw/zinc/80/49/95/628804995.db2.gz FAYPAXHVRRKSNX-UHFFFAOYSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000840964408 628925051 /nfs/dbraw/zinc/92/50/51/628925051.db2.gz RYHODUVXCVJQNV-TUAOUCFPSA-N 0 3 265.353 2.304 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccc(C)cc1[O-] ZINC000794810580 629326231 /nfs/dbraw/zinc/32/62/31/629326231.db2.gz LWONYQYUTMRRJN-ZYHUDNBSSA-N 0 3 250.342 2.005 20 10 CECDHN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(F)ccc1[O-] ZINC000797033666 630109987 /nfs/dbraw/zinc/10/99/87/630109987.db2.gz YIZVUJNCNHXYSK-NSHDSACASA-N 0 3 283.343 2.114 20 10 CECDHN OC[C@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000895835397 630371610 /nfs/dbraw/zinc/37/16/10/630371610.db2.gz CFGVAVHXYJEGNI-LBPRGKRZSA-N 0 3 293.260 2.278 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c([O-])c1 ZINC000896126498 630474891 /nfs/dbraw/zinc/47/48/91/630474891.db2.gz ZUUZVIYCXQORDP-WCQYABFASA-N 0 3 293.363 2.222 20 10 CECDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000896962002 630844878 /nfs/dbraw/zinc/84/48/78/630844878.db2.gz HJORTIPBFCCUDL-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000896962002 630844882 /nfs/dbraw/zinc/84/48/82/630844882.db2.gz HJORTIPBFCCUDL-ZDUSSCGKSA-N 0 3 293.363 2.176 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948764 635530473 /nfs/dbraw/zinc/53/04/73/635530473.db2.gz GZDDCABDAKFLHE-RYUDHWBXSA-N 0 3 266.772 2.005 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)COC(C)C)c([O-])c1 ZINC000800524120 631133216 /nfs/dbraw/zinc/13/32/16/631133216.db2.gz APFKSVHVWVNSBC-NSHDSACASA-N 0 3 253.342 2.304 20 10 CECDHN COc1ccc(CN[C@H](C)C(OC)OC)cc1C ZINC000079607898 631200891 /nfs/dbraw/zinc/20/08/91/631200891.db2.gz BRORNELXUTVQRJ-LLVKDONJSA-N 0 3 253.342 2.101 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2O)c1[O-] ZINC000228674114 631213796 /nfs/dbraw/zinc/21/37/96/631213796.db2.gz PGSBXIFBABFXDX-NEPJUHHUSA-N 0 3 285.771 2.447 20 10 CECDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840091772 631835299 /nfs/dbraw/zinc/83/52/99/631835299.db2.gz OIGRJSATHFIKLV-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN CC[C@H]1CN(C)CC[N@H+]1Cc1c([O-])ccc2ccncc21 ZINC000840091772 631835304 /nfs/dbraw/zinc/83/53/04/631835304.db2.gz OIGRJSATHFIKLV-AWEZNQCLSA-N 0 3 285.391 2.466 20 10 CECDHN COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717598 632005374 /nfs/dbraw/zinc/00/53/74/632005374.db2.gz FVRMRDNFTKJKKK-CMPLNLGQSA-N 0 3 287.787 2.402 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@]2(O)CCN(C)C2)c1[O-] ZINC000808715819 632005643 /nfs/dbraw/zinc/00/56/43/632005643.db2.gz XNQXPRRAQAQMLA-XHDPSFHLSA-N 0 3 298.814 2.071 20 10 CECDHN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000840177783 632092415 /nfs/dbraw/zinc/09/24/15/632092415.db2.gz LQKSDRUEFNEZOM-CQSZACIVSA-N 0 3 298.386 2.456 20 10 CECDHN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000840177783 632092420 /nfs/dbraw/zinc/09/24/20/632092420.db2.gz LQKSDRUEFNEZOM-CQSZACIVSA-N 0 3 298.386 2.456 20 10 CECDHN Cc1cc(CN2CCCC[C@]2(C)C(N)=O)ccc1N(C)C ZINC000815092587 632957142 /nfs/dbraw/zinc/95/71/42/632957142.db2.gz LRCNDCBMSLWCJE-QGZVFWFLSA-N 0 3 289.423 2.291 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000816665363 633459991 /nfs/dbraw/zinc/45/99/91/633459991.db2.gz DLGFCBURLPWHTA-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000816665363 633459994 /nfs/dbraw/zinc/45/99/94/633459994.db2.gz DLGFCBURLPWHTA-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN CC[C@H](NC1C[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817956183 633794620 /nfs/dbraw/zinc/79/46/20/633794620.db2.gz SSDCPZQZZHAIOO-NSHDSACASA-N 0 3 285.185 2.167 20 10 CECDHN C[C@H]([NH2+]C[C@H](N)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964535 633806538 /nfs/dbraw/zinc/80/65/38/633806538.db2.gz BZXGQFBYDDZJLN-MADCSZMMSA-N 0 3 256.296 2.058 20 10 CECDHN C[C@H](NC[C@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964535 633806544 /nfs/dbraw/zinc/80/65/44/633806544.db2.gz BZXGQFBYDDZJLN-MADCSZMMSA-N 0 3 256.296 2.058 20 10 CECDHN C[C@H]([NH3+])CN[C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817971295 633812976 /nfs/dbraw/zinc/81/29/76/633812976.db2.gz CATFFRHOYNMZMH-BQBZGAKWSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@H]([NH3+])CN[C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973452 633817033 /nfs/dbraw/zinc/81/70/33/633817033.db2.gz UCMPBEUIHOOPHI-BQBZGAKWSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[C@H](F)CN2)c2c1c(F)ccc2[O-] ZINC000817977068 633819981 /nfs/dbraw/zinc/81/99/81/633819981.db2.gz ZXVCZBRIISPTSD-WDCWCFNPSA-N 0 3 282.334 2.369 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCCNC1)c1ccc(F)cc1[O-] ZINC000817984563 633826034 /nfs/dbraw/zinc/82/60/34/633826034.db2.gz UHYIGKOFENCBQQ-PWSUYJOCSA-N 0 3 252.333 2.324 20 10 CECDHN C[C@@H]([NH2+]C1CC(CCO)C1)c1cc(F)ccc1[O-] ZINC000903328544 635077328 /nfs/dbraw/zinc/07/73/28/635077328.db2.gz CFJQIQFPLPXIFC-GRZMOONWSA-N 0 3 253.317 2.343 20 10 CECDHN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000903406156 635101548 /nfs/dbraw/zinc/10/15/48/635101548.db2.gz GZZFINDKWOMNGD-NOZJJQNGSA-N 0 3 253.317 2.343 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)CC2 ZINC000903441167 635121044 /nfs/dbraw/zinc/12/10/44/635121044.db2.gz YJMAWVJKXLDFIG-MCIONIFRSA-N 0 3 259.349 2.394 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CCCCO ZINC000824655683 635470682 /nfs/dbraw/zinc/47/06/82/635470682.db2.gz YTUXBNXDVGDEPH-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1OC)c1ccccc1[O-] ZINC000824710225 635483571 /nfs/dbraw/zinc/48/35/71/635483571.db2.gz VZSZYXYHEUFOTF-DUVNUKRYSA-N 0 3 279.380 2.484 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000825062507 635555855 /nfs/dbraw/zinc/55/58/55/635555855.db2.gz YTPVLARYHWMHGZ-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000825197352 635590410 /nfs/dbraw/zinc/59/04/10/635590410.db2.gz VTYFCTVOSCDHAB-CHWSQXEVSA-N 0 3 285.771 2.248 20 10 CECDHN C[C@@H]1C[C@H](O)CN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000825312964 635612215 /nfs/dbraw/zinc/61/22/15/635612215.db2.gz ZQSWTXRAJYKZEM-YPMHNXCESA-N 0 3 266.360 2.094 20 10 CECDHN CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000826952049 636170256 /nfs/dbraw/zinc/17/02/56/636170256.db2.gz FNNRKXFUQRKJNP-HNNXBMFYSA-N 0 3 299.798 2.327 20 10 CECDHN CO[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000826952049 636170263 /nfs/dbraw/zinc/17/02/63/636170263.db2.gz FNNRKXFUQRKJNP-HNNXBMFYSA-N 0 3 299.798 2.327 20 10 CECDHN C[C@@H]1CCN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834611533 637890297 /nfs/dbraw/zinc/89/02/97/637890297.db2.gz MJHJMRIJJLRFKQ-TZMCWYRMSA-N 0 3 260.381 2.311 20 10 CECDHN CCn1cccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1=O ZINC000834786899 637951809 /nfs/dbraw/zinc/95/18/09/637951809.db2.gz DMTMQPKOTMNYHQ-CQSZACIVSA-N 0 3 284.359 2.351 20 10 CECDHN Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000835069559 638047704 /nfs/dbraw/zinc/04/77/04/638047704.db2.gz BOIYKKOSKQFPGQ-LBPRGKRZSA-N 0 3 285.347 2.212 20 10 CECDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000876764248 650424780 /nfs/dbraw/zinc/42/47/80/650424780.db2.gz MGILTILKGMZRIH-GFCCVEGCSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1c(C)cccc1[O-] ZINC000876764248 650424781 /nfs/dbraw/zinc/42/47/81/650424781.db2.gz MGILTILKGMZRIH-GFCCVEGCSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](N)CCC(C)C ZINC000876767476 650425732 /nfs/dbraw/zinc/42/57/32/650425732.db2.gz KGRYSJVJHZBWMR-MRXNPFEDSA-N 0 3 291.439 2.441 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CCS(C)(=O)=O)c1ccccc1[O-] ZINC000156382877 639347478 /nfs/dbraw/zinc/34/74/78/639347478.db2.gz RAMRENSWCTXHIL-DGCLKSJQSA-N 0 3 285.409 2.256 20 10 CECDHN CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000045172955 639396752 /nfs/dbraw/zinc/39/67/52/639396752.db2.gz AFDMZQOOPQESHM-UHFFFAOYSA-N 0 3 291.372 2.086 20 10 CECDHN Cc1ccc(C[NH2+]CCNC(=O)c2cccs2)c([O-])c1 ZINC000876942290 650498360 /nfs/dbraw/zinc/49/83/60/650498360.db2.gz WRGZGLCPVMXXRC-UHFFFAOYSA-N 0 3 290.388 2.282 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921215 639587086 /nfs/dbraw/zinc/58/70/86/639587086.db2.gz WETPAANLQGEIET-PHIMTYICSA-N 0 3 266.772 2.005 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000840939076 639592995 /nfs/dbraw/zinc/59/29/95/639592995.db2.gz KFBUKRQVGVKLLK-WBMJQRKESA-N 0 3 289.423 2.147 20 10 CECDHN CC[C@@H]([NH2+]Cc1c([O-])cccc1OC)[C@H](O)C(C)C ZINC000840966476 639603760 /nfs/dbraw/zinc/60/37/60/639603760.db2.gz GBWDDXLGQGAIQW-IUODEOHRSA-N 0 3 267.369 2.286 20 10 CECDHN C[C@H]1C[NH2+]CC[C@@H]1NCc1c([O-])ccc(Cl)c1F ZINC000841063240 639637872 /nfs/dbraw/zinc/63/78/72/639637872.db2.gz GUKKFPVJXUEWPP-KWQFWETISA-N 0 3 272.751 2.272 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@@H]2CNCCC2(F)F)cc1 ZINC000841080025 639648263 /nfs/dbraw/zinc/64/82/63/639648263.db2.gz MHGOOXPNEHYWKK-NHZBNJEXSA-N 0 3 295.377 2.353 20 10 CECDHN [NH3+]CC[C@@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000841090913 639653282 /nfs/dbraw/zinc/65/32/82/639653282.db2.gz QKIUYNLWBYGHJL-SNVBAGLBSA-N 0 3 282.693 2.415 20 10 CECDHN C[C@@H](NCC(=O)N1CCCC1)c1ccc(N(C)C)cc1 ZINC000228796284 639660080 /nfs/dbraw/zinc/66/00/80/639660080.db2.gz BJHGUZBANGYKPC-CYBMUJFWSA-N 0 3 275.396 2.026 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CCC[C@@H](O)C2)cc1 ZINC000229474851 639702855 /nfs/dbraw/zinc/70/28/55/639702855.db2.gz PMTNCRHDKNOHNZ-OICCZTGUSA-N 0 3 260.381 2.223 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCN(CC(F)(F)F)C2)c([O-])c1 ZINC000876990783 650522564 /nfs/dbraw/zinc/52/25/64/650522564.db2.gz CQPYLVHJWCBQMF-GFCCVEGCSA-N 0 3 288.313 2.427 20 10 CECDHN Cc1ccc(C[NH2+]CCCc2cnn(C)c2)c([O-])c1 ZINC000876997220 650525485 /nfs/dbraw/zinc/52/54/85/650525485.db2.gz QFHHUVPZQYPLDZ-UHFFFAOYSA-N 0 3 259.353 2.157 20 10 CECDHN COCCCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000841893223 639901571 /nfs/dbraw/zinc/90/15/71/639901571.db2.gz BWRSVSCINANUBD-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN COCCCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000841893223 639901574 /nfs/dbraw/zinc/90/15/74/639901574.db2.gz BWRSVSCINANUBD-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877045113 650545309 /nfs/dbraw/zinc/54/53/09/650545309.db2.gz QDMODHQCBQBQPY-DZGCQCFKSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000877072033 650558905 /nfs/dbraw/zinc/55/89/05/650558905.db2.gz GKUNWBPIAGHVEA-HNNXBMFYSA-N 0 3 261.321 2.291 20 10 CECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@]1(O)CCOC1 ZINC000842920952 640221393 /nfs/dbraw/zinc/22/13/93/640221393.db2.gz UKQTUCQXFLRAEZ-GUYCJALGSA-N 0 3 291.391 2.147 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCc3c[nH]nc3C2)c([O-])c1 ZINC000877084855 650565463 /nfs/dbraw/zinc/56/54/63/650565463.db2.gz ONJSRBJDMMNNQM-CYBMUJFWSA-N 0 3 257.337 2.071 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843414774 640419057 /nfs/dbraw/zinc/41/90/57/640419057.db2.gz MPZANZJVLJWCCK-CYBMUJFWSA-N 0 3 288.326 2.008 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000843414774 640419063 /nfs/dbraw/zinc/41/90/63/640419063.db2.gz MPZANZJVLJWCCK-CYBMUJFWSA-N 0 3 288.326 2.008 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846074161 641174860 /nfs/dbraw/zinc/17/48/60/641174860.db2.gz VWWYEMVHNMTFSA-IUODEOHRSA-N 0 3 288.391 2.444 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC[C@]2(O)CCCOC2)c1[O-] ZINC000846107357 641184356 /nfs/dbraw/zinc/18/43/56/641184356.db2.gz HVGVYJYGUANYQU-OAHLLOKOSA-N 0 3 299.798 2.375 20 10 CECDHN COc1cccc([C@@H](C)NCc2cnn(C)c2C)c1O ZINC000846158298 641206489 /nfs/dbraw/zinc/20/64/89/641206489.db2.gz WMFVRTYWIKRQKI-SNVBAGLBSA-N 0 3 275.352 2.294 20 10 CECDHN CCc1nc([C@H](C)N[C@@H](C)c2cccc(OC)c2O)n[nH]1 ZINC000846157387 641206573 /nfs/dbraw/zinc/20/65/73/641206573.db2.gz MEMZANKEZUTMHL-UWVGGRQHSA-N 0 3 290.367 2.493 20 10 CECDHN CC[C@@H]([NH2+]CC[C@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000846193169 641219175 /nfs/dbraw/zinc/21/91/75/641219175.db2.gz KJOPSIGJDBGFRJ-ZBFHGGJFSA-N 0 3 279.380 2.283 20 10 CECDHN CC[C@H]([NH2+][C@H](CO)CCF)c1ccc(C)cc1[O-] ZINC000846209379 641223450 /nfs/dbraw/zinc/22/34/50/641223450.db2.gz QSKNJFYUWJSZHP-AAEUAGOBSA-N 0 3 255.333 2.462 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N[C@H](C)C(C)C)c1 ZINC000182406117 641655598 /nfs/dbraw/zinc/65/55/98/641655598.db2.gz MTXOGXRCCGHPTO-VXGBXAGGSA-N 0 3 294.395 2.212 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCCC1=O)c1ccccc1[O-] ZINC000183317158 641727221 /nfs/dbraw/zinc/72/72/21/641727221.db2.gz BLLCSCYYPGPGEN-AWEZNQCLSA-N 0 3 276.380 2.445 20 10 CECDHN CC(C)CN1CCO[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183385184 641732950 /nfs/dbraw/zinc/73/29/50/641732950.db2.gz HSXGHLZSOFBXKJ-GJZGRUSLSA-N 0 3 292.423 2.400 20 10 CECDHN C[C@@H]1CCN(CC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000848242374 641932746 /nfs/dbraw/zinc/93/27/46/641932746.db2.gz DLSXFBIJAXYXAX-SNVBAGLBSA-N 0 3 282.771 2.004 20 10 CECDHN COc1ccc(CNC[C@@H]2CN(C3CC3)C(=O)O2)cc1C ZINC000848578502 642064873 /nfs/dbraw/zinc/06/48/73/642064873.db2.gz QGLYMPZVDPHPJP-CQSZACIVSA-N 0 3 290.363 2.076 20 10 CECDHN COC(=O)c1cc(CNCc2ccccc2O)c(C)o1 ZINC000848895044 642175509 /nfs/dbraw/zinc/17/55/09/642175509.db2.gz OKPRAYCEUMWDFG-UHFFFAOYSA-N 0 3 275.304 2.370 20 10 CECDHN COc1ccc(N2CC[C@@H](NCc3ccc(C)nn3)C2)cc1 ZINC000850346730 642675220 /nfs/dbraw/zinc/67/52/20/642675220.db2.gz IQKPZSOEGAHZEG-OAHLLOKOSA-N 0 3 298.390 2.162 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1cc(F)ccc1[O-] ZINC000850547818 642749469 /nfs/dbraw/zinc/74/94/69/642749469.db2.gz XDCPYHSDRBMQJT-QCZZGDTMSA-N 0 3 265.328 2.485 20 10 CECDHN CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000922401639 643061987 /nfs/dbraw/zinc/06/19/87/643061987.db2.gz RNYXOYOQMDFRTN-UKRRQHHQSA-N 0 3 287.363 2.228 20 10 CECDHN Nc1ccc(CCNC(=O)C[C@@H]2NCc3ccccc32)cc1 ZINC000851632940 643100831 /nfs/dbraw/zinc/10/08/31/643100831.db2.gz YYTNEZZINUGUED-KRWDZBQOSA-N 0 3 295.386 2.162 20 10 CECDHN Cc1ccc(C[NH2+]CCC2(CS(C)(=O)=O)CC2)c([O-])c1 ZINC000877620364 650817026 /nfs/dbraw/zinc/81/70/26/650817026.db2.gz HPJDWGFHKIXKKN-UHFFFAOYSA-N 0 3 297.420 2.005 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000877636724 650827842 /nfs/dbraw/zinc/82/78/42/650827842.db2.gz HDAZWVVMIIAEJA-HNNXBMFYSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)c([O-])c1 ZINC000877636724 650827845 /nfs/dbraw/zinc/82/78/45/650827845.db2.gz HDAZWVVMIIAEJA-HNNXBMFYSA-N 0 3 290.407 2.437 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000877683259 650848248 /nfs/dbraw/zinc/84/82/48/650848248.db2.gz VGGVRZKGCXEARH-UIQMYNOKSA-N 0 3 263.312 2.044 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H](O)C(F)(F)F ZINC000877693758 650854806 /nfs/dbraw/zinc/85/48/06/650854806.db2.gz QCMZRABCHJXNDP-GWCFXTLKSA-N 0 3 290.329 2.462 20 10 CECDHN OCCC1CN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000839140025 644172347 /nfs/dbraw/zinc/17/23/47/644172347.db2.gz IVXLWGKTUQBHSU-UHFFFAOYSA-N 0 3 274.408 2.491 20 10 CECDHN COc1cc(O)c(CN2CC3(C2)CCOCC3)cc1OC ZINC000839141320 644172691 /nfs/dbraw/zinc/17/26/91/644172691.db2.gz PLEYEMCLFPBOFH-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000877755578 650899268 /nfs/dbraw/zinc/89/92/68/650899268.db2.gz GKEYJPUYBQXPCU-JMSVASOKSA-N 0 3 265.353 2.094 20 10 CECDHN CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756359805 644635661 /nfs/dbraw/zinc/63/56/61/644635661.db2.gz DLFCRROGXKYDKR-MWLCHTKSSA-N 0 3 280.343 2.194 20 10 CECDHN C[C@H](Cn1cncn1)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756491094 644654429 /nfs/dbraw/zinc/65/44/29/644654429.db2.gz XVVWQTLKXVDOOH-FOGDFJRCSA-N 0 3 290.342 2.349 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCOC[C@@H]2CCOC2)c([O-])c1 ZINC000756564170 644667795 /nfs/dbraw/zinc/66/77/95/644667795.db2.gz QQITVXULXPJXBM-UONOGXRCSA-N 0 3 279.380 2.404 20 10 CECDHN CCc1nncn1CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756618889 644675162 /nfs/dbraw/zinc/67/51/62/644675162.db2.gz CSJXFFYSZZWBCQ-GFCCVEGCSA-N 0 3 274.368 2.205 20 10 CECDHN C[C@H]([NH2+]CCNc1cnccn1)c1cc(F)ccc1[O-] ZINC000756646954 644677796 /nfs/dbraw/zinc/67/77/96/644677796.db2.gz QZVNZCDJKBVEAQ-JTQLQIEISA-N 0 3 276.315 2.084 20 10 CECDHN CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756733304 644687363 /nfs/dbraw/zinc/68/73/63/644687363.db2.gz OLWGVLRBQIUQAB-LBPRGKRZSA-N 0 3 274.368 2.205 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756731400 644687528 /nfs/dbraw/zinc/68/75/28/644687528.db2.gz ABWIPSRITWDOPL-MNOVXSKESA-N 0 3 271.332 2.233 20 10 CECDHN CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000756739804 644688090 /nfs/dbraw/zinc/68/80/90/644688090.db2.gz ZCFMOKQKCSATAM-ZYHUDNBSSA-N 0 3 280.343 2.191 20 10 CECDHN COc1ccc(N2CCN(CC[C@H](O)C(C)C)CC2)cc1 ZINC000877912384 650945090 /nfs/dbraw/zinc/94/50/90/650945090.db2.gz SNFHKTVEDLOZNR-KRWDZBQOSA-N 0 3 292.423 2.224 20 10 CECDHN Cc1cc(Br)c([O-])c(CN(C)[C@H](C)C[NH3+])c1 ZINC000843051994 644759194 /nfs/dbraw/zinc/75/91/94/644759194.db2.gz NXVAPESVAZXWPH-SECBINFHSA-N 0 3 287.201 2.242 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H]2C[C@@](C)(O)C2)cc1F ZINC000858178844 645081756 /nfs/dbraw/zinc/08/17/56/645081756.db2.gz BGAKYUOQOHDRIX-WJONMLJTSA-N 0 3 270.323 2.034 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)OC)cc1 ZINC000858578124 645207368 /nfs/dbraw/zinc/20/73/68/645207368.db2.gz GZXYKJPDAQGPLM-OLZOCXBDSA-N 0 3 293.411 2.202 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000760886887 645207575 /nfs/dbraw/zinc/20/75/75/645207575.db2.gz OTPJDYHDOLMNGW-RIEGTJTDSA-N 0 3 283.343 2.376 20 10 CECDHN COc1cccc(O)c1CN(C)C[C@H]1CCCO1 ZINC000761227817 645259324 /nfs/dbraw/zinc/25/93/24/645259324.db2.gz CAHNUCRJZMSZBU-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000762504695 645421988 /nfs/dbraw/zinc/42/19/88/645421988.db2.gz VTPZCADTXBKAAW-BXUZGUMPSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000762504700 645422463 /nfs/dbraw/zinc/42/24/63/645422463.db2.gz VTPZCADTXBKAAW-RISCZKNCSA-N 0 3 265.353 2.306 20 10 CECDHN CN(C)c1ccc(CN(C)C(=O)C2(N(C)C)CCC2)cc1 ZINC000762964755 645484775 /nfs/dbraw/zinc/48/47/75/645484775.db2.gz QULDDVCAKTXHSU-UHFFFAOYSA-N 0 3 289.423 2.195 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768444586 646123796 /nfs/dbraw/zinc/12/37/96/646123796.db2.gz MNJANGOANKXSCW-NHYWBVRUSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000768444586 646123798 /nfs/dbraw/zinc/12/37/98/646123798.db2.gz MNJANGOANKXSCW-NHYWBVRUSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447247 646124072 /nfs/dbraw/zinc/12/40/72/646124072.db2.gz NSLHLZGKBNIORS-BFVZDQMLSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1[C@H](C)SCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768447247 646124075 /nfs/dbraw/zinc/12/40/75/646124075.db2.gz NSLHLZGKBNIORS-BFVZDQMLSA-N 0 3 295.404 2.144 20 10 CECDHN CC1(C)CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768447699 646124081 /nfs/dbraw/zinc/12/40/81/646124081.db2.gz AVYWEIHMSMLPJW-CQSZACIVSA-N 0 3 277.364 2.440 20 10 CECDHN CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464010 646126181 /nfs/dbraw/zinc/12/61/81/646126181.db2.gz YTWMQEVAEFLGPZ-SMDDNHRTSA-N 0 3 295.404 2.145 20 10 CECDHN CSC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464010 646126183 /nfs/dbraw/zinc/12/61/83/646126183.db2.gz YTWMQEVAEFLGPZ-SMDDNHRTSA-N 0 3 295.404 2.145 20 10 CECDHN CC1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465627 646128169 /nfs/dbraw/zinc/12/81/69/646128169.db2.gz JNUHLGVUQQMBGD-CYBMUJFWSA-N 0 3 263.337 2.050 20 10 CECDHN CC1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768465627 646128171 /nfs/dbraw/zinc/12/81/71/646128171.db2.gz JNUHLGVUQQMBGD-CYBMUJFWSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc(CN[C@H]2c3ccccc3C[C@@H]2O)c1O ZINC000119184664 646602225 /nfs/dbraw/zinc/60/22/25/646602225.db2.gz FVBIZQRCYTVAHD-HOCLYGCPSA-N 0 3 285.343 2.149 20 10 CECDHN CCN(C)c1ccc(CN2CCCC[C@@]2(C)C(N)=O)cc1 ZINC000773838504 646779252 /nfs/dbraw/zinc/77/92/52/646779252.db2.gz KQONNAMTBFMYDY-KRWDZBQOSA-N 0 3 289.423 2.373 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnc(C)nc2)c1 ZINC000775361149 646945336 /nfs/dbraw/zinc/94/53/36/646945336.db2.gz CEPWYHAIJVTQOP-JTQLQIEISA-N 0 3 273.336 2.350 20 10 CECDHN C[C@@H](NC(=O)C1(N(C)C)CCC1)c1ccc(N(C)C)cc1 ZINC000775412595 646951832 /nfs/dbraw/zinc/95/18/32/646951832.db2.gz ZPYCVNFLFBGJSI-CYBMUJFWSA-N 0 3 289.423 2.414 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1ccccc1[O-] ZINC000775416247 646952694 /nfs/dbraw/zinc/95/26/94/646952694.db2.gz XMMGVVCFTUFQFX-DZGCQCFKSA-N 0 3 279.380 2.220 20 10 CECDHN CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000775499179 646960734 /nfs/dbraw/zinc/96/07/34/646960734.db2.gz PJOPINMQSJBBRM-ZFWWWQNUSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@H]([NH2+]CCNc1cnccn1)c1ccccc1[O-] ZINC000775512687 646961236 /nfs/dbraw/zinc/96/12/36/646961236.db2.gz AGPKWECVUBTMNZ-ZDUSSCGKSA-N 0 3 272.352 2.335 20 10 CECDHN CC[C@H]1CCN(C(=[NH2+])NCc2ccc(OC)cc2[O-])C1 ZINC000864464429 647018809 /nfs/dbraw/zinc/01/88/09/647018809.db2.gz COSINPHBMWEQQL-NSHDSACASA-N 0 3 277.368 2.157 20 10 CECDHN C[C@@H](NC(=S)NC1CCN(C)CC1)c1ccccc1O ZINC000865269144 647224922 /nfs/dbraw/zinc/22/49/22/647224922.db2.gz BHWFRHVTWHEJGP-LLVKDONJSA-N 0 3 293.436 2.012 20 10 CECDHN CCC[C@H](CCO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000865663002 647412793 /nfs/dbraw/zinc/41/27/93/647412793.db2.gz JAKSWBWOTWMVSR-CYBMUJFWSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000865710498 647433181 /nfs/dbraw/zinc/43/31/81/647433181.db2.gz AWBCGMCXYNTHCV-PRHODGIISA-N 0 3 293.285 2.192 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)C[C@H](C)O)c([O-])c1 ZINC000865872361 647514545 /nfs/dbraw/zinc/51/45/45/647514545.db2.gz LCKYHJAPORBJLT-WCQYABFASA-N 0 3 267.369 2.430 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000865876183 647518276 /nfs/dbraw/zinc/51/82/76/647518276.db2.gz OIODVUCGXNQCOH-KGLIPLIRSA-N 0 3 265.353 2.184 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000783505590 647722213 /nfs/dbraw/zinc/72/22/13/647722213.db2.gz IEWZPAVOYQOPGF-NWDGAFQWSA-N 0 3 278.352 2.274 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783600115 647735744 /nfs/dbraw/zinc/73/57/44/647735744.db2.gz VTCPGEOVROCXFP-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCOCC2(CC2)C1 ZINC000783600115 647735748 /nfs/dbraw/zinc/73/57/48/647735748.db2.gz VTCPGEOVROCXFP-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN Oc1ccc(F)cc1CN1CCOCC2(CC2)C1 ZINC000783600115 647735753 /nfs/dbraw/zinc/73/57/53/647735753.db2.gz VTCPGEOVROCXFP-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN CCOc1ccc(C[NH2+]CCCCCO)c([O-])c1 ZINC000790483091 648421909 /nfs/dbraw/zinc/42/19/09/648421909.db2.gz IDQOGGWSOALXKA-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN CCCOc1ccc(CN[C@@](C)(CO)COC)cc1C ZINC000873069246 649550064 /nfs/dbraw/zinc/55/00/64/649550064.db2.gz ABKNVWAIUUQSKF-INIZCTEOSA-N 0 3 281.396 2.271 20 10 CECDHN C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H]1C[NH3+] ZINC000873216211 649593121 /nfs/dbraw/zinc/59/31/21/649593121.db2.gz LQYAOSLIZOXJRX-MWLCHTKSSA-N 0 3 299.212 2.181 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1ccns1 ZINC000883242193 652412310 /nfs/dbraw/zinc/41/23/10/652412310.db2.gz YSKORAYSIKOHEW-UHFFFAOYSA-N 0 3 264.350 2.190 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132199587 652502861 /nfs/dbraw/zinc/50/28/61/652502861.db2.gz DRRBJWLSOBPCKN-MNOVXSKESA-N 0 3 266.772 2.372 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000093820764 806713416 /nfs/dbraw/zinc/71/34/16/806713416.db2.gz CDWAFWLMENSNNN-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000093820764 806713419 /nfs/dbraw/zinc/71/34/19/806713419.db2.gz CDWAFWLMENSNNN-OAHLLOKOSA-N 0 3 263.337 2.013 20 10 CECDHN CN(C)c1ccc(C[N@H+](C)Cc2ccncc2[O-])cc1 ZINC001140280862 802790329 /nfs/dbraw/zinc/79/03/29/802790329.db2.gz QRSMRHUQAICJHP-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN CN(C)c1ccc(C[N@@H+](C)Cc2ccncc2[O-])cc1 ZINC001140280862 802790333 /nfs/dbraw/zinc/79/03/33/802790333.db2.gz QRSMRHUQAICJHP-UHFFFAOYSA-N 0 3 271.364 2.485 20 10 CECDHN CCS(=O)(=O)C1(CNCc2ccc(OC)c(C)c2)CC1 ZINC000693488534 802978451 /nfs/dbraw/zinc/97/84/51/802978451.db2.gz FVLOLRGOTIYURG-UHFFFAOYSA-N 0 3 297.420 2.061 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1ccccc1[O-] ZINC000724604142 803193209 /nfs/dbraw/zinc/19/32/09/803193209.db2.gz NCWQKSDOBKIQFW-FIRUKDTASA-N 0 3 277.364 2.237 20 10 CECDHN [NH3+][C@H]1CCCN(Cc2cc(Br)ccc2[O-])CC1 ZINC001205094679 807581340 /nfs/dbraw/zinc/58/13/40/807581340.db2.gz NXLCMUWNVLGKJL-LBPRGKRZSA-N 0 3 299.212 2.468 20 10 CECDHN Cc1cc(F)cc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c1[O-] ZINC001238056163 808291850 /nfs/dbraw/zinc/29/18/50/808291850.db2.gz FATOEBGZGVHXPG-NWDGAFQWSA-N 0 3 267.344 2.433 20 10 CECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c1[O-] ZINC001238056163 808291856 /nfs/dbraw/zinc/29/18/56/808291856.db2.gz FATOEBGZGVHXPG-NWDGAFQWSA-N 0 3 267.344 2.433 20 10 CECDHN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000690321461 809209938 /nfs/dbraw/zinc/20/99/38/809209938.db2.gz GLAOZYCTKOBYBG-ZDUSSCGKSA-N 0 3 266.360 2.494 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)c([O-])c1 ZINC000379242020 810689234 /nfs/dbraw/zinc/68/92/34/810689234.db2.gz XNNLMMFHLWSAPJ-ABAIWWIYSA-N 0 3 265.353 2.448 20 10 CECDHN [NH3+][C@@H](CC1CCCCC1)C(=O)NCc1c([O-])cccc1F ZINC001122258116 815397343 /nfs/dbraw/zinc/39/73/43/815397343.db2.gz LMTJJQNZQOJFPQ-AWEZNQCLSA-N 0 3 294.370 2.445 20 10 CECDHN CC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC001169580917 811589067 /nfs/dbraw/zinc/58/90/67/811589067.db2.gz ZZWPPQWLTCLDSK-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)CC1CC1 ZINC000385800862 813145205 /nfs/dbraw/zinc/14/52/05/813145205.db2.gz SBJZMQFDWKNBON-MRXNPFEDSA-N 0 3 289.423 2.229 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@@H](C)O ZINC000386742857 813188959 /nfs/dbraw/zinc/18/89/59/813188959.db2.gz YVRSUHPZBSMSIU-LDYMZIIASA-N 0 3 273.760 2.303 20 10 CECDHN CO[C@@H]([C@H](C)[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000388278595 813234954 /nfs/dbraw/zinc/23/49/54/813234954.db2.gz KNCIOTGZYAIBOL-XPTSAGLGSA-N 0 3 253.317 2.434 20 10 CECDHN COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000389071619 813246965 /nfs/dbraw/zinc/24/69/65/813246965.db2.gz MINGBMOHPYURNX-WCQYABFASA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@H]([NH2+]CCc1cnccn1)c1ccccc1[O-] ZINC000390177139 813262104 /nfs/dbraw/zinc/26/21/04/813262104.db2.gz GYRHDHWVCQFODS-AWEZNQCLSA-N 0 3 257.337 2.466 20 10 CECDHN C[C@@H]([NH2+]CCN1CC=CCC1)c1cc(F)ccc1[O-] ZINC000392256322 813299144 /nfs/dbraw/zinc/29/91/44/813299144.db2.gz YOROFFZPRRLWNB-GFCCVEGCSA-N 0 3 264.344 2.444 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000712650258 814759511 /nfs/dbraw/zinc/75/95/11/814759511.db2.gz GQICRRYYZGLQNH-CQSZACIVSA-N 0 3 277.364 2.068 20 10 CECDHN C[C@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714383945 814903969 /nfs/dbraw/zinc/90/39/69/814903969.db2.gz XBBBYUWWSPJBDU-RYUDHWBXSA-N 0 3 283.393 2.010 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173755014 815810811 /nfs/dbraw/zinc/81/08/11/815810811.db2.gz FWZNBLHHGMSPSS-FRRDWIJNSA-N 0 3 287.367 2.213 20 10 CECDHN FC[C@H]1CCCN1Cc1ccc(N2CCOCC2)cc1 ZINC001138501013 815815724 /nfs/dbraw/zinc/81/57/24/815815724.db2.gz JKWVBYTVPWVPJS-MRXNPFEDSA-N 0 3 278.371 2.457 20 10 CECDHN O=C1CCCC2(CC[NH+](Cc3cc(F)ccc3[O-])CC2)N1 ZINC001140054077 816177786 /nfs/dbraw/zinc/17/77/86/816177786.db2.gz JESMKFPLYSQZQO-UHFFFAOYSA-N 0 3 292.354 2.166 20 10 CECDHN Cc1nn(C)c(C)c1CN1CCc2cccc(O)c2C1 ZINC001203063419 816344534 /nfs/dbraw/zinc/34/45/34/816344534.db2.gz CIYYRJBDFWFBMX-UHFFFAOYSA-N 0 3 271.364 2.301 20 10 CECDHN COC[C@@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031476 816450530 /nfs/dbraw/zinc/45/05/30/816450530.db2.gz GOKOQHIRUJNATP-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN COC[C@@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031476 816450533 /nfs/dbraw/zinc/45/05/33/816450533.db2.gz GOKOQHIRUJNATP-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032373 816453158 /nfs/dbraw/zinc/45/31/58/816453158.db2.gz ZVOVOZYTMLOUHA-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c(OC)c1 ZINC001141032373 816453159 /nfs/dbraw/zinc/45/31/59/816453159.db2.gz ZVOVOZYTMLOUHA-RISCZKNCSA-N 0 3 295.379 2.002 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCOCCO ZINC000067697425 343741607 /nfs/dbraw/zinc/74/16/07/343741607.db2.gz JYYLMVFMBASJKY-UHFFFAOYSA-N 0 3 287.359 2.158 20 10 CECDHN COCCCN(C)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000185553828 344509501 /nfs/dbraw/zinc/50/95/01/344509501.db2.gz GQOJFIGGGHJSGP-CYBMUJFWSA-N 0 3 296.411 2.020 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000294114405 344693546 /nfs/dbraw/zinc/69/35/46/344693546.db2.gz SUSMCAPXALMXKS-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000294114405 344693549 /nfs/dbraw/zinc/69/35/49/344693549.db2.gz SUSMCAPXALMXKS-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCCSC2)c1[O-] ZINC000135702240 366468473 /nfs/dbraw/zinc/46/84/73/366468473.db2.gz OUVHIRJLMSLIPM-LLVKDONJSA-N 0 3 253.367 2.386 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1C[C@@H]3CCC[C@H]3C1)OCO2 ZINC000147937073 366577728 /nfs/dbraw/zinc/57/77/28/366577728.db2.gz VAXNJMZMWCSZGM-QWRGUYRKSA-N 0 3 261.321 2.353 20 10 CECDHN CCOCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019962992 361570103 /nfs/dbraw/zinc/57/01/03/361570103.db2.gz FROAUMJTDIVXHR-LLVKDONJSA-N 0 3 253.342 2.478 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c1[O-] ZINC000091985867 364073762 /nfs/dbraw/zinc/07/37/62/364073762.db2.gz ZSXKNXPQBUJVBX-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@@H](C)C(=O)OC)c1[O-] ZINC000091985867 364073764 /nfs/dbraw/zinc/07/37/64/364073764.db2.gz ZSXKNXPQBUJVBX-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN COc1cccc(C[NH+]2CCC(n3cccn3)CC2)c1[O-] ZINC000092618091 364088222 /nfs/dbraw/zinc/08/82/22/364088222.db2.gz LSROKBSNJLQMHE-UHFFFAOYSA-N 0 3 287.363 2.434 20 10 CECDHN CN1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000112142987 364775508 /nfs/dbraw/zinc/77/55/08/364775508.db2.gz SSBVHKUNQHMOSE-UHFFFAOYSA-N 0 3 273.424 2.424 20 10 CECDHN COCCN(C)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000113321313 364887160 /nfs/dbraw/zinc/88/71/60/364887160.db2.gz DSPGJLACJMEFJF-UHFFFAOYSA-N 0 3 286.803 2.104 20 10 CECDHN COCC[N@H+](C)CCCNCc1c([O-])cccc1Cl ZINC000113321313 364887163 /nfs/dbraw/zinc/88/71/63/364887163.db2.gz DSPGJLACJMEFJF-UHFFFAOYSA-N 0 3 286.803 2.104 20 10 CECDHN COCC[N@@H+](C)CCCNCc1c([O-])cccc1Cl ZINC000113321313 364887170 /nfs/dbraw/zinc/88/71/70/364887170.db2.gz DSPGJLACJMEFJF-UHFFFAOYSA-N 0 3 286.803 2.104 20 10 CECDHN Cc1cccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000245870136 370882138 /nfs/dbraw/zinc/88/21/38/370882138.db2.gz RHFWDEYAKFTKBH-KGLIPLIRSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1[O-] ZINC000245870136 370882142 /nfs/dbraw/zinc/88/21/42/370882142.db2.gz RHFWDEYAKFTKBH-KGLIPLIRSA-N 0 3 279.405 2.407 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423787 368381988 /nfs/dbraw/zinc/38/19/88/368381988.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423787 368381990 /nfs/dbraw/zinc/38/19/90/368381990.db2.gz VWSSZXSXLHNZPL-JSGCOSHPSA-N 0 3 278.396 2.315 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000188112890 369298464 /nfs/dbraw/zinc/29/84/64/369298464.db2.gz ZSOKAMGKIZTMFK-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000188112890 369298465 /nfs/dbraw/zinc/29/84/65/369298465.db2.gz ZSOKAMGKIZTMFK-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000188110297 369298533 /nfs/dbraw/zinc/29/85/33/369298533.db2.gz PROSPMZMKCZJPE-GWCFXTLKSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000188110297 369298536 /nfs/dbraw/zinc/29/85/36/369298536.db2.gz PROSPMZMKCZJPE-GWCFXTLKSA-N 0 3 281.327 2.162 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1[O-] ZINC000189119775 369462243 /nfs/dbraw/zinc/46/22/43/369462243.db2.gz MCSIHBVNVZINBQ-QWRGUYRKSA-N 0 3 253.342 2.304 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000191957337 369756864 /nfs/dbraw/zinc/75/68/64/369756864.db2.gz MVDZJRJYCXVROV-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000191957337 369756866 /nfs/dbraw/zinc/75/68/66/369756866.db2.gz MVDZJRJYCXVROV-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000230659315 370461900 /nfs/dbraw/zinc/46/19/00/370461900.db2.gz IOPOSMAQGAYLOE-LDWIPMOCSA-N 0 3 267.222 2.105 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1ccccc1[O-] ZINC000364354473 372736114 /nfs/dbraw/zinc/73/61/14/372736114.db2.gz OXZZLEKXNAPWTO-NEBZKDRISA-N 0 3 288.391 2.442 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000364650371 372784288 /nfs/dbraw/zinc/78/42/88/372784288.db2.gz HBULFHJKBNYVNT-QGZVFWFLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c1 ZINC000364650371 372784294 /nfs/dbraw/zinc/78/42/94/372784294.db2.gz HBULFHJKBNYVNT-QGZVFWFLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000271700148 373197975 /nfs/dbraw/zinc/19/79/75/373197975.db2.gz CLTLXMONZAMGKQ-LBPRGKRZSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000271700148 373197980 /nfs/dbraw/zinc/19/79/80/373197980.db2.gz CLTLXMONZAMGKQ-LBPRGKRZSA-N 0 3 255.745 2.311 20 10 CECDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H](O)C(F)(F)F ZINC000271767590 373201644 /nfs/dbraw/zinc/20/16/44/373201644.db2.gz ATHKFBSDFUCPKD-CMPLNLGQSA-N 0 3 277.286 2.492 20 10 CECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)ccc1[O-])CC2 ZINC000272253530 373388403 /nfs/dbraw/zinc/38/84/03/373388403.db2.gz IRWFJPVPEHNUMP-CYBMUJFWSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)C1=C(C)O[C@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000272563472 373552873 /nfs/dbraw/zinc/55/28/73/373552873.db2.gz PXOOLEUNJZMEFK-ZDUSSCGKSA-N 0 3 291.347 2.060 20 10 CECDHN COC(=O)C1=C(C)O[C@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000272563472 373552876 /nfs/dbraw/zinc/55/28/76/373552876.db2.gz PXOOLEUNJZMEFK-ZDUSSCGKSA-N 0 3 291.347 2.060 20 10 CECDHN CCOc1cccc(C[N@H+](C)CCc2cnccn2)c1[O-] ZINC000272829411 373672388 /nfs/dbraw/zinc/67/23/88/373672388.db2.gz PTNMIWVEWJDTPC-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1cccc(C[N@@H+](C)CCc2cnccn2)c1[O-] ZINC000272829411 373672393 /nfs/dbraw/zinc/67/23/93/373672393.db2.gz PTNMIWVEWJDTPC-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN CCOc1cccc(CN(C)CCc2cnccn2)c1O ZINC000272829411 373672400 /nfs/dbraw/zinc/67/24/00/373672400.db2.gz PTNMIWVEWJDTPC-UHFFFAOYSA-N 0 3 287.363 2.255 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1C ZINC000273622776 373768328 /nfs/dbraw/zinc/76/83/28/373768328.db2.gz ZPHCFNWUSCOPDM-OLZOCXBDSA-N 0 3 276.380 2.280 20 10 CECDHN Cc1cccc(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1[O-] ZINC000371425126 373877796 /nfs/dbraw/zinc/87/77/96/373877796.db2.gz RCQSJWPMAGRXDX-CFVMTHIKSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1cccc(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1[O-] ZINC000371425126 373877801 /nfs/dbraw/zinc/87/78/01/373877801.db2.gz RCQSJWPMAGRXDX-CFVMTHIKSA-N 0 3 288.391 2.319 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373912011 /nfs/dbraw/zinc/91/20/11/373912011.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 0 3 290.382 2.447 20 10 CECDHN [O-]c1c(F)cccc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371526820 373912019 /nfs/dbraw/zinc/91/20/19/373912019.db2.gz FXFOSJVIYPCMQN-FMKPAKJESA-N 0 3 290.382 2.447 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC2([S@](C)=O)CC2)c1[O-] ZINC000281718703 375393606 /nfs/dbraw/zinc/39/36/06/375393606.db2.gz IIUBXBXWRUKTLY-SFHVURJKSA-N 0 3 287.812 2.355 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)c([O-])c1 ZINC000282187432 375423334 /nfs/dbraw/zinc/42/33/34/375423334.db2.gz GAUHKKWQJCDNPA-ZMZPIMSZSA-N 0 3 267.394 2.262 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CSC[C@@H]2C)c1[O-] ZINC000285375249 375839015 /nfs/dbraw/zinc/83/90/15/375839015.db2.gz CMKCZLQYFQKBHU-GXSJLCMTSA-N 0 3 253.367 2.242 20 10 CECDHN C[C@H]([NH2+]CCN(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000287049830 376138101 /nfs/dbraw/zinc/13/81/01/376138101.db2.gz MVEKDQBMSXEFPC-LBPRGKRZSA-N 0 3 262.397 2.483 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)c([O-])c1 ZINC000287367624 376216700 /nfs/dbraw/zinc/21/67/00/376216700.db2.gz ONBXVWKGXCJKGE-GFCCVEGCSA-N 0 3 267.369 2.139 20 10 CECDHN CCOc1cccc(C[NH2+]CC2=CCCOC2)c1[O-] ZINC000288514835 376378722 /nfs/dbraw/zinc/37/87/22/376378722.db2.gz TYIVXNZGZZYPLK-UHFFFAOYSA-N 0 3 263.337 2.227 20 10 CECDHN COCCOCCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000293641220 377671640 /nfs/dbraw/zinc/67/16/40/377671640.db2.gz RSGXMBHWVPNQRA-UHFFFAOYSA-N 0 3 280.412 2.156 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000293798661 377763400 /nfs/dbraw/zinc/76/34/00/377763400.db2.gz DCALDHUNJXIHOU-NSHDSACASA-N 0 3 282.359 2.173 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](SC)C2)c1 ZINC000295098500 378041650 /nfs/dbraw/zinc/04/16/50/378041650.db2.gz SJHMZDAXHLJRRT-LBPRGKRZSA-N 0 3 253.367 2.338 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](SC)C2)c1 ZINC000295098500 378041655 /nfs/dbraw/zinc/04/16/55/378041655.db2.gz SJHMZDAXHLJRRT-LBPRGKRZSA-N 0 3 253.367 2.338 20 10 CECDHN C[C@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296066664 378408892 /nfs/dbraw/zinc/40/88/92/378408892.db2.gz RYLJQQRKLNVUEM-DGCLKSJQSA-N 0 3 257.337 2.254 20 10 CECDHN CC[C@H](C(=O)NCCc1ccc(N)cc1)N(CC)CC ZINC000269154470 394713206 /nfs/dbraw/zinc/71/32/06/394713206.db2.gz ZWJJLWWAJRASJW-OAHLLOKOSA-N 0 3 277.412 2.048 20 10 CECDHN CC(C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000106460894 394724675 /nfs/dbraw/zinc/72/46/75/394724675.db2.gz JIIXIUHFSUGNSF-HNNXBMFYSA-N 0 3 295.402 2.094 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN(C(C)=O)CC1 ZINC000133278453 394948086 /nfs/dbraw/zinc/94/80/86/394948086.db2.gz ORLPHILAWISXDT-OAHLLOKOSA-N 0 3 276.380 2.398 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN(C(C)=O)CC1 ZINC000133278453 394948087 /nfs/dbraw/zinc/94/80/87/394948087.db2.gz ORLPHILAWISXDT-OAHLLOKOSA-N 0 3 276.380 2.398 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c1 ZINC000368333215 394984324 /nfs/dbraw/zinc/98/43/24/394984324.db2.gz QEYCVGUGITYNTD-DZGCQCFKSA-N 0 3 290.407 2.214 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c1[O-] ZINC000135213480 394963605 /nfs/dbraw/zinc/96/36/05/394963605.db2.gz MFLDAFWLCXNSQP-DGCLKSJQSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)cc1C ZINC000174353113 395123113 /nfs/dbraw/zinc/12/31/13/395123113.db2.gz BFCOZDCPQIBBOT-UHFFFAOYSA-N 0 3 292.423 2.209 20 10 CECDHN CC(C)[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC1 ZINC000291194979 395123180 /nfs/dbraw/zinc/12/31/80/395123180.db2.gz UHKUAHWOLFEOIN-LBPRGKRZSA-N 0 3 279.336 2.120 20 10 CECDHN CC(C)[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCOC1 ZINC000291194979 395123186 /nfs/dbraw/zinc/12/31/86/395123186.db2.gz UHKUAHWOLFEOIN-LBPRGKRZSA-N 0 3 279.336 2.120 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000179373423 395191855 /nfs/dbraw/zinc/19/18/55/395191855.db2.gz LYZPRICEWZHJSI-ZDUSSCGKSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1 ZINC000179373423 395191860 /nfs/dbraw/zinc/19/18/60/395191860.db2.gz LYZPRICEWZHJSI-ZDUSSCGKSA-N 0 3 277.364 2.286 20 10 CECDHN CCOc1ccc(O)c(CN2CCCO[C@@H](C)C2)c1 ZINC000179400753 395193712 /nfs/dbraw/zinc/19/37/12/395193712.db2.gz QNCSQZFILJMLMQ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000179400753 395193715 /nfs/dbraw/zinc/19/37/15/395193715.db2.gz QNCSQZFILJMLMQ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000179400753 395193718 /nfs/dbraw/zinc/19/37/18/395193718.db2.gz QNCSQZFILJMLMQ-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000179582343 395197227 /nfs/dbraw/zinc/19/72/27/395197227.db2.gz HJSXYRTUECFMNR-UHFFFAOYSA-N 0 3 292.423 2.182 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)CN1CCOCC1 ZINC000179582343 395197235 /nfs/dbraw/zinc/19/72/35/395197235.db2.gz HJSXYRTUECFMNR-UHFFFAOYSA-N 0 3 292.423 2.182 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000294132918 395267260 /nfs/dbraw/zinc/26/72/60/395267260.db2.gz UPNHAGDTXXOAHJ-LBPRGKRZSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000294132918 395267265 /nfs/dbraw/zinc/26/72/65/395267265.db2.gz UPNHAGDTXXOAHJ-LBPRGKRZSA-N 0 3 285.771 2.401 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1 ZINC000020142025 171028290 /nfs/dbraw/zinc/02/82/90/171028290.db2.gz OJZYIYLJIPEKDG-AWEZNQCLSA-N 0 3 278.396 2.074 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@@H]3CO2)c([O-])c1 ZINC000091666276 260266505 /nfs/dbraw/zinc/26/65/05/260266505.db2.gz AQEPXKZNEPWJBO-ZNMIVQPWSA-N 0 3 290.407 2.214 20 10 CECDHN CC[C@@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1[O-] ZINC000154982472 261096886 /nfs/dbraw/zinc/09/68/86/261096886.db2.gz MYFVIRLMQYLYCW-CYBMUJFWSA-N 0 3 288.347 2.456 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000367437327 262027243 /nfs/dbraw/zinc/02/72/43/262027243.db2.gz INHNPHHGCOZIJU-KHIZAZIESA-N 0 3 288.391 2.408 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185317960 262050591 /nfs/dbraw/zinc/05/05/91/262050591.db2.gz PXPFIGTYLHINSK-DGCLKSJQSA-N 0 3 286.379 2.266 20 10 CECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000186531625 262097591 /nfs/dbraw/zinc/09/75/91/262097591.db2.gz XOATZADZMHVLLI-PCAWENJQSA-N 0 3 285.771 2.471 20 10 CECDHN Cc1ccc(C(=O)NCC2([NH+](C)C)CCCC2)c([O-])c1O ZINC000272532765 263005841 /nfs/dbraw/zinc/00/58/41/263005841.db2.gz ATQCHSVPFVDJPN-UHFFFAOYSA-N 0 3 292.379 2.010 20 10 CECDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC2(CCOCC2)O1 ZINC000280402254 263061193 /nfs/dbraw/zinc/06/11/93/263061193.db2.gz HEUMYJSPFSKCBD-ZDUSSCGKSA-N 0 3 277.364 2.162 20 10 CECDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC2(CCOCC2)O1 ZINC000280402254 263061194 /nfs/dbraw/zinc/06/11/94/263061194.db2.gz HEUMYJSPFSKCBD-ZDUSSCGKSA-N 0 3 277.364 2.162 20 10 CECDHN Cc1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)n(C)n1 ZINC000296581202 263193224 /nfs/dbraw/zinc/19/32/24/263193224.db2.gz WBCJTPPBICXDGC-CYBMUJFWSA-N 0 3 257.337 2.211 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc(F)ccc1[O-] ZINC000367439290 267089502 /nfs/dbraw/zinc/08/95/02/267089502.db2.gz SUJSMJIWSNDOLB-LQBHMHGISA-N 0 3 292.354 2.239 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCNC(=O)C[C@H]1C ZINC000367668368 267107371 /nfs/dbraw/zinc/10/73/71/267107371.db2.gz HMWYWGOUOLXXLY-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)C[C@H]1C ZINC000367668368 267107369 /nfs/dbraw/zinc/10/73/69/267107369.db2.gz HMWYWGOUOLXXLY-DGCLKSJQSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(F)ccc1[O-] ZINC000368328707 267163217 /nfs/dbraw/zinc/16/32/17/267163217.db2.gz AFKYMBMTESSQJD-XVMOGABASA-N 0 3 292.354 2.191 20 10 CECDHN c1cc(CNC[C@@H]2COC3(CCCC3)O2)cc2c1OCC2 ZINC000376803208 268019329 /nfs/dbraw/zinc/01/93/29/268019329.db2.gz FGMVHCBBTZATOR-OAHLLOKOSA-N 0 3 289.375 2.397 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000377113264 268048612 /nfs/dbraw/zinc/04/86/12/268048612.db2.gz NAKSGNJIXONTJX-RHSMWYFYSA-N 0 3 288.391 2.156 20 10 CECDHN CCN1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295928560 276222169 /nfs/dbraw/zinc/22/21/69/276222169.db2.gz KBDRDXVWLSPIBH-OCCSQVGLSA-N 0 3 260.381 2.311 20 10 CECDHN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297820732 288125402 /nfs/dbraw/zinc/12/54/02/288125402.db2.gz RJVSAKZQPUDJRQ-UGFHNGPFSA-N 0 3 272.392 2.452 20 10 CECDHN CC(C)N1C[C@@H](N[C@@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554019 279550619 /nfs/dbraw/zinc/55/06/19/279550619.db2.gz WLEHMXLDYZPZQK-ZFWWWQNUSA-N 0 3 289.423 2.413 20 10 CECDHN CN(C)C/C=C/C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269093770 328189663 /nfs/dbraw/zinc/18/96/63/328189663.db2.gz XVFGTAFIPQDWKL-VMPITWQZSA-N 0 3 288.391 2.005 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c1 ZINC000377648546 329023050 /nfs/dbraw/zinc/02/30/50/329023050.db2.gz ORJJGRBXNWWPAG-HNNXBMFYSA-N 0 3 298.390 2.249 20 10 CECDHN O=C([C@H]1CCCC[N@H+]1Cc1ccccc1[O-])N1CCCC1 ZINC000378379250 329048008 /nfs/dbraw/zinc/04/80/08/329048008.db2.gz SDIWKLRNQNTAGX-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1[O-])N1CCCC1 ZINC000378379250 329048009 /nfs/dbraw/zinc/04/80/09/329048009.db2.gz SDIWKLRNQNTAGX-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000378489873 329052720 /nfs/dbraw/zinc/05/27/20/329052720.db2.gz CRHDMQJXFBNBFX-KRWDZBQOSA-N 0 3 287.334 2.455 20 10 CECDHN COC[C@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378535379 329054402 /nfs/dbraw/zinc/05/44/02/329054402.db2.gz AJOIPUDLZMCBFN-ZDUSSCGKSA-N 0 3 260.381 2.487 20 10 CECDHN CCN(C)CC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228672781 329344369 /nfs/dbraw/zinc/34/43/69/329344369.db2.gz FAQWLJCQKKKCHV-UHFFFAOYSA-N 0 3 272.776 2.096 20 10 CECDHN COCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000081708032 330352057 /nfs/dbraw/zinc/35/20/57/330352057.db2.gz NBIWOEVZHJPEJJ-WDEREUQCSA-N 0 3 253.342 2.476 20 10 CECDHN COCCC1(C[NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000224911303 333227493 /nfs/dbraw/zinc/22/74/93/333227493.db2.gz DJMMSMGFBKHCOB-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN Cc1c([C@@H](C)[NH2+]Cc2cc(F)ccc2[O-])cnn1C ZINC000226584572 333265645 /nfs/dbraw/zinc/26/56/45/333265645.db2.gz FXXGIUWLVYKBKW-SECBINFHSA-N 0 3 263.316 2.424 20 10 CECDHN C[C@@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271363222 334743258 /nfs/dbraw/zinc/74/32/58/334743258.db2.gz ISJIDIQYSHVHII-MNOVXSKESA-N 0 3 279.336 2.026 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000280939295 519539931 /nfs/dbraw/zinc/53/99/31/519539931.db2.gz IQTDKULOWHSPQL-JSGCOSHPSA-N 0 3 276.380 2.301 20 10 CECDHN CC(C)N(CC(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000299534635 519636277 /nfs/dbraw/zinc/63/62/77/519636277.db2.gz DZOMGGSQNVAMFD-UHFFFAOYSA-N 0 3 291.439 2.488 20 10 CECDHN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000290313180 519787007 /nfs/dbraw/zinc/78/70/07/519787007.db2.gz NUOFAUDYMNXMNC-SNVBAGLBSA-N 0 3 289.372 2.005 20 10 CECDHN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000293104975 520351630 /nfs/dbraw/zinc/35/16/30/520351630.db2.gz YAFAUHFZHXLKAU-MRXNPFEDSA-N 0 3 293.363 2.152 20 10 CECDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000275814855 520476866 /nfs/dbraw/zinc/47/68/66/520476866.db2.gz DSDKIPCXOIIQKG-ZDUSSCGKSA-N 0 3 253.317 2.124 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000275814855 520476874 /nfs/dbraw/zinc/47/68/74/520476874.db2.gz DSDKIPCXOIIQKG-ZDUSSCGKSA-N 0 3 253.317 2.124 20 10 CECDHN CCCC[N@H+](CCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000289456781 520505634 /nfs/dbraw/zinc/50/56/34/520505634.db2.gz NXNFLYNLYYPCGJ-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN CCCC[N@@H+](CCCO)Cc1cc(OC)c(OC)cc1[O-] ZINC000289456781 520505659 /nfs/dbraw/zinc/50/56/59/520505659.db2.gz NXNFLYNLYYPCGJ-UHFFFAOYSA-N 0 3 297.395 2.394 20 10 CECDHN CCCC[N@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000068620032 520535948 /nfs/dbraw/zinc/53/59/48/520535948.db2.gz XXXCOTYKYKYZDG-UHFFFAOYSA-N 0 3 281.352 2.369 20 10 CECDHN CCCC[N@@H+](CCOC)Cc1cc2c(cc1[O-])OCO2 ZINC000068620032 520535955 /nfs/dbraw/zinc/53/59/55/520535955.db2.gz XXXCOTYKYKYZDG-UHFFFAOYSA-N 0 3 281.352 2.369 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000129474949 521340140 /nfs/dbraw/zinc/34/01/40/521340140.db2.gz KFHUKTOATYUHGZ-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000129474949 521340149 /nfs/dbraw/zinc/34/01/49/521340149.db2.gz KFHUKTOATYUHGZ-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](COC)[C@H]2CCCO2)c1[O-] ZINC000278604504 521371144 /nfs/dbraw/zinc/37/11/44/521371144.db2.gz ICLJSEJQRKOOQR-UONOGXRCSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(CN[C@@H](COC)[C@H]2CCCO2)c1O ZINC000278604504 521371153 /nfs/dbraw/zinc/37/11/53/521371153.db2.gz ICLJSEJQRKOOQR-UONOGXRCSA-N 0 3 295.379 2.075 20 10 CECDHN CN(C)c1ccc(CN(CCO)C2CCC2)cc1F ZINC000275937999 522172309 /nfs/dbraw/zinc/17/23/09/522172309.db2.gz HYNDWVSNWAKHRV-UHFFFAOYSA-N 0 3 266.360 2.239 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000274879192 522861799 /nfs/dbraw/zinc/86/17/99/522861799.db2.gz HFQFIHIGFJERBE-ZBFHGGJFSA-N 0 3 279.380 2.220 20 10 CECDHN COCC1(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000292987986 522862620 /nfs/dbraw/zinc/86/26/20/522862620.db2.gz NRLOQRBRQFSJMG-UHFFFAOYSA-N 0 3 293.363 2.417 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036976951 522945791 /nfs/dbraw/zinc/94/57/91/522945791.db2.gz RSUDVEGYJVJYAW-OLZOCXBDSA-N 0 3 262.353 2.102 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000264695639 523384747 /nfs/dbraw/zinc/38/47/47/523384747.db2.gz IHRSGELUUGZSKG-OAHLLOKOSA-N 0 3 287.359 2.264 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)COc1ccccc1 ZINC000264695639 523384756 /nfs/dbraw/zinc/38/47/56/523384756.db2.gz IHRSGELUUGZSKG-OAHLLOKOSA-N 0 3 287.359 2.264 20 10 CECDHN COc1ccc(N(C)C[C@@H](O)CN(C)C2CC2)cc1Cl ZINC000289426174 524352802 /nfs/dbraw/zinc/35/28/02/524352802.db2.gz XAGHQNMEFSYWFM-ZDUSSCGKSA-N 0 3 298.814 2.240 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290553980 524404561 /nfs/dbraw/zinc/40/45/61/524404561.db2.gz RZKVGAJYSBTRML-OAHLLOKOSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290553980 524404567 /nfs/dbraw/zinc/40/45/67/524404567.db2.gz RZKVGAJYSBTRML-OAHLLOKOSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280137706 524410365 /nfs/dbraw/zinc/41/03/65/524410365.db2.gz CTLVFXDTCDKNQV-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1[O-] ZINC000158080520 524431846 /nfs/dbraw/zinc/43/18/46/524431846.db2.gz QDTJUSRBODRFCU-OAHLLOKOSA-N 0 3 279.380 2.376 20 10 CECDHN COc1ccc(O)c(CN2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291014683 524745011 /nfs/dbraw/zinc/74/50/11/524745011.db2.gz XEFMTEUUWSBPAW-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291014683 524745024 /nfs/dbraw/zinc/74/50/24/524745024.db2.gz XEFMTEUUWSBPAW-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1 ZINC000291014683 524745032 /nfs/dbraw/zinc/74/50/32/524745032.db2.gz XEFMTEUUWSBPAW-CQSZACIVSA-N 0 3 287.363 2.353 20 10 CECDHN COc1ncccc1CC[NH2+]Cc1cccc(C)c1[O-] ZINC000290908641 525044977 /nfs/dbraw/zinc/04/49/77/525044977.db2.gz MXUMQGBLGBRYRQ-UHFFFAOYSA-N 0 3 272.348 2.437 20 10 CECDHN C[S@](=O)C1(CNCc2ccc3c(c2)CCO3)CCC1 ZINC000280664840 525381604 /nfs/dbraw/zinc/38/16/04/525381604.db2.gz PHNBBPPVIOHCNE-IBGZPJMESA-N 0 3 279.405 2.012 20 10 CECDHN C[C@H](NCc1cnn(C)c1)c1ccc(N(C)C)cc1 ZINC000041159269 525481066 /nfs/dbraw/zinc/48/10/66/525481066.db2.gz SBVKDNDLBSFNCU-LBPRGKRZSA-N 0 3 258.369 2.337 20 10 CECDHN C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000279703714 525882693 /nfs/dbraw/zinc/88/26/93/525882693.db2.gz RNWUOQNHWKYRIS-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])CC1 ZINC000279703714 525882698 /nfs/dbraw/zinc/88/26/98/525882698.db2.gz RNWUOQNHWKYRIS-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)c1 ZINC000290374987 526269185 /nfs/dbraw/zinc/26/91/85/526269185.db2.gz ATDKUZCUZFPXAI-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cnn([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)c1 ZINC000290374987 526269187 /nfs/dbraw/zinc/26/91/87/526269187.db2.gz ATDKUZCUZFPXAI-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCN1CCCCCC1)OCO2 ZINC000042880383 526336887 /nfs/dbraw/zinc/33/68/87/526336887.db2.gz CFXXUMLBCLGRSO-UHFFFAOYSA-N 0 3 292.379 2.087 20 10 CECDHN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368220347 526365020 /nfs/dbraw/zinc/36/50/20/526365020.db2.gz FLPPKHIVEULOIV-VIFPVBQESA-N 0 3 277.755 2.416 20 10 CECDHN [O-]c1cccc(Cl)c1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368220347 526365023 /nfs/dbraw/zinc/36/50/23/526365023.db2.gz FLPPKHIVEULOIV-VIFPVBQESA-N 0 3 277.755 2.416 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@](C)(O)CC)c([O-])c1 ZINC000732229202 574615315 /nfs/dbraw/zinc/61/53/15/574615315.db2.gz HSOBZVPNHHDUFM-CQSZACIVSA-N 0 3 253.342 2.042 20 10 CECDHN CN1CC[C@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1=O ZINC000738265526 574856446 /nfs/dbraw/zinc/85/64/46/574856446.db2.gz HPMWQFVFEYQNGW-HNNXBMFYSA-N 0 3 284.359 2.208 20 10 CECDHN CN1CC[C@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1=O ZINC000738265526 574856447 /nfs/dbraw/zinc/85/64/47/574856447.db2.gz HPMWQFVFEYQNGW-HNNXBMFYSA-N 0 3 284.359 2.208 20 10 CECDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000746313998 575154287 /nfs/dbraw/zinc/15/42/87/575154287.db2.gz FTFSLOLRVMSDBX-MRXNPFEDSA-N 0 3 289.423 2.276 20 10 CECDHN CCCN1CCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000749564410 575226059 /nfs/dbraw/zinc/22/60/59/575226059.db2.gz VHDVGCOAUUOYTQ-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN c1n[nH]cc1CNCc1ccc(N2CCSCC2)cc1 ZINC000749918663 575239769 /nfs/dbraw/zinc/23/97/69/575239769.db2.gz DEDRCUUAWNHMFB-UHFFFAOYSA-N 0 3 288.420 2.253 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000752124100 575305706 /nfs/dbraw/zinc/30/57/06/575305706.db2.gz IUEMGQHQLZWQSS-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179554586 625572340 /nfs/dbraw/zinc/57/23/40/625572340.db2.gz GMMUVRMRTXVYCL-UHFFFAOYSA-N 0 3 284.359 2.270 20 10 CECDHN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccccc1[O-] ZINC000179554586 625572346 /nfs/dbraw/zinc/57/23/46/625572346.db2.gz GMMUVRMRTXVYCL-UHFFFAOYSA-N 0 3 284.359 2.270 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC2COCCOC2)cc1 ZINC000813879629 623200807 /nfs/dbraw/zinc/20/08/07/623200807.db2.gz OIQMSSAKSNBFBP-ZDUSSCGKSA-N 0 3 278.396 2.209 20 10 CECDHN CN(C)c1ccc([C@H](CNC(=O)C(C)(F)F)N(C)C)cc1 ZINC000891250227 623327364 /nfs/dbraw/zinc/32/73/64/623327364.db2.gz VJLUJFMEWUYVNN-ZDUSSCGKSA-N 0 3 299.365 2.127 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000323672002 634468978 /nfs/dbraw/zinc/46/89/78/634468978.db2.gz MRAPXKHQNVPINI-QWRGUYRKSA-N 0 3 271.744 2.057 20 10 CECDHN Cn1ncc(C[NH2+]Cc2ccccc2[O-])c1C1CC1 ZINC000892790576 627775219 /nfs/dbraw/zinc/77/52/19/627775219.db2.gz FVRVMVVFDOLWIT-UHFFFAOYSA-N 0 3 257.337 2.293 20 10 CECDHN COCCOc1ccc(CNCc2ccccc2O)o1 ZINC000892790763 627775333 /nfs/dbraw/zinc/77/53/33/627775333.db2.gz IJMPYPQBYISSRZ-UHFFFAOYSA-N 0 3 277.320 2.300 20 10 CECDHN COc1ccc(C[NH2+]CCC2CCOCC2)c([O-])c1 ZINC000311430862 628533955 /nfs/dbraw/zinc/53/39/55/628533955.db2.gz QYLPUEYXEWHIQF-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902466789 634684116 /nfs/dbraw/zinc/68/41/16/634684116.db2.gz MNWBXYSCJWLVKL-VZZFWQQMSA-N 0 3 264.344 2.465 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccc(C)cc1[O-] ZINC000794798814 629324336 /nfs/dbraw/zinc/32/43/36/629324336.db2.gz YTKPCXNXOGTBKN-TZMCWYRMSA-N 0 3 265.353 2.157 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](C)c2n[nH]c(C)n2)c1 ZINC000894771417 629625845 /nfs/dbraw/zinc/62/58/45/629625845.db2.gz IJSZORDIGSPGQF-SECBINFHSA-N 0 3 276.340 2.068 20 10 CECDHN Oc1cc2c(cc1CNCc1cnn3ccccc13)OCO2 ZINC000796480120 629917470 /nfs/dbraw/zinc/91/74/70/629917470.db2.gz IZZNWOXJSCJRIX-UHFFFAOYSA-N 0 3 297.314 2.058 20 10 CECDHN Cc1nc(C)c(C[NH2+]Cc2c([O-])cccc2F)o1 ZINC000896638948 630621635 /nfs/dbraw/zinc/62/16/35/630621635.db2.gz SDMIGXXHQSGYFF-UHFFFAOYSA-N 0 3 250.273 2.426 20 10 CECDHN Cc1nc(C)c(CNCc2c(O)cccc2F)o1 ZINC000896638948 630621637 /nfs/dbraw/zinc/62/16/37/630621637.db2.gz SDMIGXXHQSGYFF-UHFFFAOYSA-N 0 3 250.273 2.426 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897257971 631023786 /nfs/dbraw/zinc/02/37/86/631023786.db2.gz FNBYNVVDGUPYAW-CQSZACIVSA-N 0 3 291.391 2.207 20 10 CECDHN CC[C@@H]([NH2+]Cc1cnn(CCOC)c1)c1ccccc1[O-] ZINC000800494945 631131222 /nfs/dbraw/zinc/13/12/22/631131222.db2.gz JIEVZZVLPTWEJI-OAHLLOKOSA-N 0 3 289.379 2.476 20 10 CECDHN CC[C@H]([NH2+]Cc1cnn(CCOC)c1)c1ccccc1[O-] ZINC000800494844 631131484 /nfs/dbraw/zinc/13/14/84/631131484.db2.gz JIEVZZVLPTWEJI-HNNXBMFYSA-N 0 3 289.379 2.476 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531387 631133022 /nfs/dbraw/zinc/13/30/22/631133022.db2.gz DHDRSSGUSDPYQI-UHFFFAOYSA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)COC(C)C)c([O-])c1 ZINC000800524118 631133209 /nfs/dbraw/zinc/13/32/09/631133209.db2.gz APFKSVHVWVNSBC-LLVKDONJSA-N 0 3 253.342 2.304 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897511723 631602900 /nfs/dbraw/zinc/60/29/00/631602900.db2.gz PCICEUHYYRPTOQ-SWLSCSKDSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cncs1 ZINC000897934295 631972587 /nfs/dbraw/zinc/97/25/87/631972587.db2.gz HDARWQVUAIXXRE-MRVPVSSYSA-N 0 3 278.333 2.428 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C)c1[O-] ZINC000808716094 632005817 /nfs/dbraw/zinc/00/58/17/632005817.db2.gz JBIHUBGZZQGNTN-UWVGGRQHSA-N 0 3 284.787 2.481 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnn3c2CCC3)c1 ZINC000825934103 635734666 /nfs/dbraw/zinc/73/46/66/635734666.db2.gz HCHWRHRYLOCULX-NSHDSACASA-N 0 3 287.363 2.394 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@H](C)OC)c([O-])c1 ZINC000810174263 632192083 /nfs/dbraw/zinc/19/20/83/632192083.db2.gz QTNDJKHPNOCGJQ-MNOVXSKESA-N 0 3 253.342 2.304 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(Br)c1[O-] ZINC000841059189 632362833 /nfs/dbraw/zinc/36/28/33/632362833.db2.gz MPMXXDGPMDAIRH-SKDRFNHKSA-N 0 3 299.212 2.242 20 10 CECDHN CC[C@H]1C(=O)NCCCN1Cc1ccc(N(C)C)cc1C ZINC000898559036 632538115 /nfs/dbraw/zinc/53/81/15/632538115.db2.gz FVOGRXDLOUVIJO-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN COc1ccc(CNCc2cn(C)nc2C(F)F)c(O)c1 ZINC000812759303 632574552 /nfs/dbraw/zinc/57/45/52/632574552.db2.gz VJBJPPCZZGAMBT-UHFFFAOYSA-N 0 3 297.305 2.362 20 10 CECDHN COc1ccc(C[NH2+]Cc2cn(C)nc2C(F)F)c([O-])c1 ZINC000812759303 632574555 /nfs/dbraw/zinc/57/45/55/632574555.db2.gz VJBJPPCZZGAMBT-UHFFFAOYSA-N 0 3 297.305 2.362 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000812780854 632576874 /nfs/dbraw/zinc/57/68/74/632576874.db2.gz VPYJZXVBZHFQLQ-LBPRGKRZSA-N 0 3 273.336 2.044 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000812780854 632576879 /nfs/dbraw/zinc/57/68/79/632576879.db2.gz VPYJZXVBZHFQLQ-LBPRGKRZSA-N 0 3 273.336 2.044 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](OC)C2CC2)c([O-])c1 ZINC000815152966 632973463 /nfs/dbraw/zinc/97/34/63/632973463.db2.gz CPMMNHGFSUYFEA-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@@H](NCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817934984 633787856 /nfs/dbraw/zinc/78/78/56/633787856.db2.gz RZJUZTGLYHQTMY-ZCFIWIBFSA-N 0 3 293.592 2.417 20 10 CECDHN C[C@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817942492 633790884 /nfs/dbraw/zinc/79/08/84/633790884.db2.gz ZZWDYNHNNAVDCA-WCBMZHEXSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817942492 633790890 /nfs/dbraw/zinc/79/08/90/633790890.db2.gz ZZWDYNHNNAVDCA-WCBMZHEXSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972634 633814919 /nfs/dbraw/zinc/81/49/19/633814919.db2.gz YVPDWSDZUXVXDP-VWYCJHECSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972634 633814931 /nfs/dbraw/zinc/81/49/31/633814931.db2.gz YVPDWSDZUXVXDP-VWYCJHECSA-N 0 3 279.340 2.092 20 10 CECDHN C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817984677 633826279 /nfs/dbraw/zinc/82/62/79/633826279.db2.gz XHCDINJMQCJRCB-GXSJLCMTSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817984677 633826283 /nfs/dbraw/zinc/82/62/83/633826283.db2.gz XHCDINJMQCJRCB-GXSJLCMTSA-N 0 3 270.323 2.463 20 10 CECDHN CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000825040527 635546780 /nfs/dbraw/zinc/54/67/80/635546780.db2.gz MHLXKWOWLXGBFU-OLZOCXBDSA-N 0 3 281.327 2.353 20 10 CECDHN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000904462281 635635630 /nfs/dbraw/zinc/63/56/30/635635630.db2.gz SZKKSJNQXPPEGW-GDBMZVCRSA-N 0 3 272.323 2.246 20 10 CECDHN CCCn1nccc1CNCc1ccc(OC)cc1O ZINC000825753670 635707632 /nfs/dbraw/zinc/70/76/32/635707632.db2.gz TYUUCDKDJQCJJA-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCCn1nccc1C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000825753670 635707637 /nfs/dbraw/zinc/70/76/37/635707637.db2.gz TYUUCDKDJQCJJA-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CC(C)(C)N1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CC1=O ZINC000827555054 636351158 /nfs/dbraw/zinc/35/11/58/636351158.db2.gz MRZLZUIWZVVDRV-NSHDSACASA-N 0 3 294.370 2.268 20 10 CECDHN CCCN1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000827930890 636462568 /nfs/dbraw/zinc/46/25/68/636462568.db2.gz TUHZYIGPAYGJJU-OCCSQVGLSA-N 0 3 276.380 2.444 20 10 CECDHN CC1(C)[NH2+]CC[C@@H]1NCc1cccc(Br)c1[O-] ZINC000841088370 637703848 /nfs/dbraw/zinc/70/38/48/637703848.db2.gz ZJNZWLVBBJPFMD-NSHDSACASA-N 0 3 299.212 2.385 20 10 CECDHN CC(C)COC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834531206 637856586 /nfs/dbraw/zinc/85/65/86/637856586.db2.gz SDLRSQUFPAHPMZ-KGLIPLIRSA-N 0 3 279.380 2.003 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCc3n[nH]cc3C1)CC2 ZINC000834680700 637917448 /nfs/dbraw/zinc/91/74/48/637917448.db2.gz GFKZBGWIPRITTR-GXTWGEPZSA-N 0 3 269.348 2.250 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834765511 637944154 /nfs/dbraw/zinc/94/41/54/637944154.db2.gz NBSPOJUAWHELPH-UMVBOHGHSA-N 0 3 277.364 2.163 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834844827 637968526 /nfs/dbraw/zinc/96/85/26/637968526.db2.gz VFYALTFXQBHYFH-NSODJVPESA-N 0 3 297.370 2.457 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@@H](CO)CC(F)F)cc1 ZINC000835047979 638038559 /nfs/dbraw/zinc/03/85/59/638038559.db2.gz DLNQMZWRWNQIEZ-DHCBQETCSA-N 0 3 284.350 2.372 20 10 CECDHN COc1ccc(CN[C@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835072273 638048851 /nfs/dbraw/zinc/04/88/51/638048851.db2.gz DZEUVLCEQDWVMP-GJZGRUSLSA-N 0 3 288.391 2.247 20 10 CECDHN Cc1ccc(C[NH+]2CCC(C3OCCO3)CC2)c([O-])c1 ZINC000876679253 650396017 /nfs/dbraw/zinc/39/60/17/650396017.db2.gz OAAZRLQEYNWWED-UHFFFAOYSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc(C[NH+]2CCC(CCC(N)=O)CC2)c([O-])c1 ZINC000876759553 650423701 /nfs/dbraw/zinc/42/37/01/650423701.db2.gz MXIVFUAGVVVMGD-UHFFFAOYSA-N 0 3 276.380 2.178 20 10 CECDHN Cc1ccc(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)c([O-])c1 ZINC000876783543 650430440 /nfs/dbraw/zinc/43/04/40/650430440.db2.gz GCPPASHXZKSKJM-MRXNPFEDSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000876798151 650436721 /nfs/dbraw/zinc/43/67/21/650436721.db2.gz FHHQRIOSJPFQPR-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000876798151 650436723 /nfs/dbraw/zinc/43/67/23/650436723.db2.gz FHHQRIOSJPFQPR-ZFWWWQNUSA-N 0 3 279.405 2.407 20 10 CECDHN CCN(C)c1ccc([C@@H](C)N[C@@H]2COC[C@@H]2OC)cc1 ZINC000840825711 639553785 /nfs/dbraw/zinc/55/37/85/639553785.db2.gz ZVTWRWXYVSXHGR-WQVCFCJDSA-N 0 3 278.396 2.207 20 10 CECDHN CCN(CC)C(=O)CNCc1ccc(N(C)C)cc1C ZINC000840933324 639590430 /nfs/dbraw/zinc/59/04/30/639590430.db2.gz NCZVNEAEYRRGPG-UHFFFAOYSA-N 0 3 277.412 2.019 20 10 CECDHN Cc1cc(CNCc2ccc(N(C)C)cc2C)n(C)n1 ZINC000840943405 639595760 /nfs/dbraw/zinc/59/57/60/639595760.db2.gz QWZCZRUVPPOBJN-UHFFFAOYSA-N 0 3 272.396 2.393 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC000840977469 639607167 /nfs/dbraw/zinc/60/71/67/639607167.db2.gz IHIGSUCJVVZIRP-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC000840977469 639607169 /nfs/dbraw/zinc/60/71/69/639607169.db2.gz IHIGSUCJVVZIRP-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN CCC[NH2+]CCNCc1cccc(Br)c1[O-] ZINC000841047262 639632065 /nfs/dbraw/zinc/63/20/65/639632065.db2.gz YICYGVPHFXXMHD-UHFFFAOYSA-N 0 3 287.201 2.244 20 10 CECDHN CCCNCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000841047262 639632067 /nfs/dbraw/zinc/63/20/67/639632067.db2.gz YICYGVPHFXXMHD-UHFFFAOYSA-N 0 3 287.201 2.244 20 10 CECDHN C[C@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063586 639639495 /nfs/dbraw/zinc/63/94/95/639639495.db2.gz LDIZLOUPQIMRMU-GZMMTYOYSA-N 0 3 299.758 2.041 20 10 CECDHN C[C@H]1CNCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063586 639639499 /nfs/dbraw/zinc/63/94/99/639639499.db2.gz LDIZLOUPQIMRMU-GZMMTYOYSA-N 0 3 299.758 2.041 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000876997487 650525472 /nfs/dbraw/zinc/52/54/72/650525472.db2.gz YIQJIWAZGHRNSG-CYBMUJFWSA-N 0 3 278.352 2.021 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CC2 ZINC000841762523 639860466 /nfs/dbraw/zinc/86/04/66/639860466.db2.gz PUPZDXMEUHUKPP-NEPJUHHUSA-N 0 3 282.334 2.309 20 10 CECDHN O=C(NCCC[NH2+]C1CCCCC1)c1cccc(O)c1[O-] ZINC000842232087 639979211 /nfs/dbraw/zinc/97/92/11/639979211.db2.gz HDWYVKXIRYOFAY-UHFFFAOYSA-N 0 3 292.379 2.140 20 10 CECDHN [NH3+]C[C@H]1CCCN(Cc2cccc(Br)c2[O-])C1 ZINC000843047497 640252618 /nfs/dbraw/zinc/25/26/18/640252618.db2.gz PZVMNTMZORIINX-SNVBAGLBSA-N 0 3 299.212 2.325 20 10 CECDHN C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843057242 640259824 /nfs/dbraw/zinc/25/98/24/640259824.db2.gz HLDLCABARLOYOP-NXEZZACHSA-N 0 3 299.212 2.324 20 10 CECDHN CN(Cc1cc(Cl)cc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843124996 640291138 /nfs/dbraw/zinc/29/11/38/640291138.db2.gz KUGNVUPYFXVHEA-UHFFFAOYSA-N 0 3 272.751 2.498 20 10 CECDHN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1(CN)CCC1 ZINC000843124996 640291143 /nfs/dbraw/zinc/29/11/43/640291143.db2.gz KUGNVUPYFXVHEA-UHFFFAOYSA-N 0 3 272.751 2.498 20 10 CECDHN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1(CN)CCC1 ZINC000843124996 640291146 /nfs/dbraw/zinc/29/11/46/640291146.db2.gz KUGNVUPYFXVHEA-UHFFFAOYSA-N 0 3 272.751 2.498 20 10 CECDHN CC(=O)c1cc(Cl)cc(C[NH2+]CC2(N)CCC2)c1[O-] ZINC000843368017 640407740 /nfs/dbraw/zinc/40/77/40/640407740.db2.gz KQRWHSYXBXMNFP-UHFFFAOYSA-N 0 3 282.771 2.219 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000031994854 640409113 /nfs/dbraw/zinc/40/91/13/640409113.db2.gz DHKDJUZINNPYCT-AWEZNQCLSA-N 0 3 266.772 2.231 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](N)CC(F)F ZINC000843413525 640419088 /nfs/dbraw/zinc/41/90/88/640419088.db2.gz ROVRJJZDXRHNEZ-NSHDSACASA-N 0 3 286.322 2.113 20 10 CECDHN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000843416858 640420799 /nfs/dbraw/zinc/42/07/99/640420799.db2.gz YYGHBMASUHXQHZ-GFCCVEGCSA-N 0 3 280.343 2.020 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846074159 641174821 /nfs/dbraw/zinc/17/48/21/641174821.db2.gz VWWYEMVHNMTFSA-DOMZBBRYSA-N 0 3 288.391 2.444 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C1CC1 ZINC000846121811 641193695 /nfs/dbraw/zinc/19/36/95/641193695.db2.gz CLRZPQQTAWZYAU-UONOGXRCSA-N 0 3 293.338 2.162 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C1CC1 ZINC000846121811 641193700 /nfs/dbraw/zinc/19/37/00/641193700.db2.gz CLRZPQQTAWZYAU-UONOGXRCSA-N 0 3 293.338 2.162 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H](CO)CCF)c2c1c(F)ccc2[O-] ZINC000846208771 641223561 /nfs/dbraw/zinc/22/35/61/641223561.db2.gz KYMFSHUSDDSEOP-WCABBAIRSA-N 0 3 271.307 2.390 20 10 CECDHN C[C@@H](NC(=O)CN1CC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759755 641762326 /nfs/dbraw/zinc/76/23/26/641762326.db2.gz CJEQQJMJDMVFTP-ZIAGYGMSSA-N 0 3 289.423 2.272 20 10 CECDHN Cc1ccc(C[N@@H+]2CCOC3(CCOCC3)CC2)c([O-])c1 ZINC000877398290 650705635 /nfs/dbraw/zinc/70/56/35/650705635.db2.gz CWKXXQATIVYRIO-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN Cc1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)c([O-])c1 ZINC000877398290 650705641 /nfs/dbraw/zinc/70/56/41/650705641.db2.gz CWKXXQATIVYRIO-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN CC[C@H]([NH2+]C[C@@](C)(CO)OC)c1ccc(C)cc1[O-] ZINC000848556372 642051063 /nfs/dbraw/zinc/05/10/63/642051063.db2.gz WCVNJWGYJJZRGT-ZFWWWQNUSA-N 0 3 267.369 2.139 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C ZINC000848565854 642056762 /nfs/dbraw/zinc/05/67/62/642056762.db2.gz NGANITLXJOVTLG-LLVKDONJSA-N 0 3 295.379 2.468 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)C(=O)OC(C)(C)C ZINC000848565856 642057372 /nfs/dbraw/zinc/05/73/72/642057372.db2.gz NGANITLXJOVTLG-NSHDSACASA-N 0 3 295.379 2.468 20 10 CECDHN CCc1cccc(CN2CCOC3(CCOCC3)C2)c1O ZINC000848888887 642172953 /nfs/dbraw/zinc/17/29/53/642172953.db2.gz CLPWWEVRKOILIG-UHFFFAOYSA-N 0 3 291.391 2.336 20 10 CECDHN Cc1ccc(CN2CCO[C@@]3(CCCOC3)C2)c(O)c1 ZINC000877514346 650760095 /nfs/dbraw/zinc/76/00/95/650760095.db2.gz KHIFFRBFVIOOQD-INIZCTEOSA-N 0 3 277.364 2.082 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OC)c([O-])c1 ZINC000850408656 642702725 /nfs/dbraw/zinc/70/27/25/642702725.db2.gz CFUKCWZCFZOCNH-KGLIPLIRSA-N 0 3 251.326 2.058 20 10 CECDHN CCNC(=O)C(C)(C)NCc1ccc2c(c1)CCCO2 ZINC000922171025 642933273 /nfs/dbraw/zinc/93/32/73/642933273.db2.gz FCMUXDCPDKDRCY-UHFFFAOYSA-N 0 3 276.380 2.016 20 10 CECDHN COC(OC)[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000922314699 643022650 /nfs/dbraw/zinc/02/26/50/643022650.db2.gz PQUHJDCBYCQLLR-LLVKDONJSA-N 0 3 265.353 2.109 20 10 CECDHN CN(Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851841452 643187478 /nfs/dbraw/zinc/18/74/78/643187478.db2.gz SHOPSRWBEUNGJU-BPLDGKMQSA-N 0 3 288.391 2.271 20 10 CECDHN Cc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c([O-])c1 ZINC000877637256 650827855 /nfs/dbraw/zinc/82/78/55/650827855.db2.gz GMCLRRGYDVDYMU-QGZVFWFLSA-N 0 3 293.407 2.358 20 10 CECDHN Oc1cc2c(cc1CNCc1cccc3c1OCC3)OCO2 ZINC000922944102 643468920 /nfs/dbraw/zinc/46/89/20/643468920.db2.gz JWJSHFZOENUFNV-UHFFFAOYSA-N 0 3 299.326 2.346 20 10 CECDHN CCOc1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)c([O-])c1 ZINC000877707153 650862445 /nfs/dbraw/zinc/86/24/45/650862445.db2.gz YCYUEBLSMKJVCF-MRXNPFEDSA-N 0 3 290.407 2.317 20 10 CECDHN CCOc1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)c([O-])c1 ZINC000877707153 650862452 /nfs/dbraw/zinc/86/24/52/650862452.db2.gz YCYUEBLSMKJVCF-MRXNPFEDSA-N 0 3 290.407 2.317 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894863 644072410 /nfs/dbraw/zinc/07/24/10/644072410.db2.gz KNQPFHMZSYEWHP-NVXWUHKLSA-N 0 3 291.391 2.144 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@@H](O)C1CC1)C[C@H]1CCCO1 ZINC000838894863 644072411 /nfs/dbraw/zinc/07/24/11/644072411.db2.gz KNQPFHMZSYEWHP-NVXWUHKLSA-N 0 3 291.391 2.144 20 10 CECDHN CCNC(=O)C(C)(C)NCc1ccc(N(C)C)c(C)c1 ZINC000839128327 644166949 /nfs/dbraw/zinc/16/69/49/644166949.db2.gz CPMMBNLPLAAXDG-UHFFFAOYSA-N 0 3 277.412 2.065 20 10 CECDHN Cc1cc(Cl)cc(CN2CC(CCO)C2)c1O ZINC000839137606 644171190 /nfs/dbraw/zinc/17/11/90/644171190.db2.gz BTXXNWMWDVMBNB-UHFFFAOYSA-N 0 3 255.745 2.168 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877754046 650898497 /nfs/dbraw/zinc/89/84/97/650898497.db2.gz SNWXJBOFYSUMOX-UHFFFAOYSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000754872651 644444526 /nfs/dbraw/zinc/44/45/26/644444526.db2.gz OBGCQBJWNZYXLB-IINYFYTJSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000754872651 644444530 /nfs/dbraw/zinc/44/45/30/644444530.db2.gz OBGCQBJWNZYXLB-IINYFYTJSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cc([O-])cs1 ZINC000855899541 644521395 /nfs/dbraw/zinc/52/13/95/644521395.db2.gz OELTYCUGDGOWQO-NSHDSACASA-N 0 3 282.409 2.304 20 10 CECDHN CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756355141 644634164 /nfs/dbraw/zinc/63/41/64/644634164.db2.gz JMQLDYWDMHFPPD-WCABBAIRSA-N 0 3 280.343 2.194 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000756526099 644658583 /nfs/dbraw/zinc/65/85/83/644658583.db2.gz FMDMJGYQXFWVBZ-CMPLNLGQSA-N 0 3 296.342 2.413 20 10 CECDHN CCc1nncn1CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756620472 644675151 /nfs/dbraw/zinc/67/51/51/644675151.db2.gz KIASPUFCGJIFCH-SNVBAGLBSA-N 0 3 278.331 2.036 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NCCS(=O)(=O)CC2CC2)c1 ZINC000756763134 644690229 /nfs/dbraw/zinc/69/02/29/644690229.db2.gz UNFCDQBXJKPZOE-GFCCVEGCSA-N 0 3 297.420 2.176 20 10 CECDHN CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000839790516 644818057 /nfs/dbraw/zinc/81/80/57/644818057.db2.gz AXJLYXZHXQNOIM-JTQLQIEISA-N 0 3 268.382 2.008 20 10 CECDHN CC(C)[N@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C1 ZINC000839790516 644818060 /nfs/dbraw/zinc/81/80/60/644818060.db2.gz AXJLYXZHXQNOIM-JTQLQIEISA-N 0 3 268.382 2.008 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCCn2ccnn2)c2c1c(F)ccc2[O-] ZINC000757656502 644831871 /nfs/dbraw/zinc/83/18/71/644831871.db2.gz IXCQIBOMCZNEQF-PWSUYJOCSA-N 0 3 290.342 2.351 20 10 CECDHN [NH3+][C@@]12CCC[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000857226168 644858050 /nfs/dbraw/zinc/85/80/50/644858050.db2.gz GSDKSPAWYWWTLU-SMDDNHRTSA-N 0 3 266.772 2.359 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2OCC)c([O-])c1 ZINC000759172291 644991719 /nfs/dbraw/zinc/99/17/19/644991719.db2.gz HLMKIUAHHDRULP-ZBFHGGJFSA-N 0 3 295.379 2.075 20 10 CECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c([O-])cccc1OC ZINC000858257017 645100946 /nfs/dbraw/zinc/10/09/46/645100946.db2.gz DOTRFJJDABBTPK-KGLIPLIRSA-N 0 3 251.326 2.058 20 10 CECDHN CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000760886899 645207617 /nfs/dbraw/zinc/20/76/17/645207617.db2.gz OTPJDYHDOLMNGW-VZJVUDMVSA-N 0 3 283.343 2.376 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H]2CCCO2)c([O-])c1 ZINC000761228959 645259412 /nfs/dbraw/zinc/25/94/12/645259412.db2.gz PIZISMGKHIRMPH-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H]2CCCO2)c([O-])c1 ZINC000761228959 645259415 /nfs/dbraw/zinc/25/94/15/645259415.db2.gz PIZISMGKHIRMPH-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN C[N@H+](CCCNC(=O)C1CCC1)Cc1ccccc1[O-] ZINC000763621540 645561720 /nfs/dbraw/zinc/56/17/20/645561720.db2.gz DRNCWFVKFVVDKA-UHFFFAOYSA-N 0 3 276.380 2.130 20 10 CECDHN C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccccc1[O-] ZINC000763621540 645561725 /nfs/dbraw/zinc/56/17/25/645561725.db2.gz DRNCWFVKFVVDKA-UHFFFAOYSA-N 0 3 276.380 2.130 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(CCO)CC2)c([O-])c1 ZINC000768236892 646099044 /nfs/dbraw/zinc/09/90/44/646099044.db2.gz LGGSQOFOPBDTND-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438034 646122610 /nfs/dbraw/zinc/12/26/10/646122610.db2.gz OQQYSNPMFGOMRN-YGRLFVJLSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438034 646122616 /nfs/dbraw/zinc/12/26/16/646122616.db2.gz OQQYSNPMFGOMRN-YGRLFVJLSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000768447253 646123954 /nfs/dbraw/zinc/12/39/54/646123954.db2.gz NSLHLZGKBNIORS-PKFCDNJMSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@H]1C ZINC000768447253 646123956 /nfs/dbraw/zinc/12/39/56/646123956.db2.gz NSLHLZGKBNIORS-PKFCDNJMSA-N 0 3 295.404 2.144 20 10 CECDHN COc1cccc(O)c1CN(C)C[C@@H]1CCCCO1 ZINC000769032782 646194853 /nfs/dbraw/zinc/19/48/53/646194853.db2.gz GCSACLRMEXTMKA-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC000769333280 646247273 /nfs/dbraw/zinc/24/72/73/646247273.db2.gz JDCORKALGWMJGA-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC000769333280 646247279 /nfs/dbraw/zinc/24/72/79/646247279.db2.gz JDCORKALGWMJGA-ZDUSSCGKSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000769451871 646268366 /nfs/dbraw/zinc/26/83/66/646268366.db2.gz NWQDOJBGISCRIS-VXGBXAGGSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000769451871 646268371 /nfs/dbraw/zinc/26/83/71/646268371.db2.gz NWQDOJBGISCRIS-VXGBXAGGSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCOC(C)(C)C1 ZINC000769463867 646272463 /nfs/dbraw/zinc/27/24/63/646272463.db2.gz RKLSPMHUYORBRB-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCOC(C)(C)C1 ZINC000769463867 646272465 /nfs/dbraw/zinc/27/24/65/646272465.db2.gz RKLSPMHUYORBRB-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000862487298 646478830 /nfs/dbraw/zinc/47/88/30/646478830.db2.gz OAYHCRFJOANEEO-ZDUSSCGKSA-N 0 3 261.321 2.134 20 10 CECDHN CCCN1CCC[C@@H]1C(=O)NCc1cc(C)ccc1O ZINC000862759261 646559365 /nfs/dbraw/zinc/55/93/65/646559365.db2.gz ZOMLGUMTNGXDIH-CQSZACIVSA-N 0 3 276.380 2.191 20 10 CECDHN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1 ZINC000863483989 646740211 /nfs/dbraw/zinc/74/02/11/646740211.db2.gz GECSVRRHAJEBPY-KOLCDFICSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H]1CC[C@H](NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483989 646740212 /nfs/dbraw/zinc/74/02/12/646740212.db2.gz GECSVRRHAJEBPY-KOLCDFICSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CN1 ZINC000863485243 646740494 /nfs/dbraw/zinc/74/04/94/646740494.db2.gz XKCBMUDVGKMHPT-LDYMZIIASA-N 0 3 272.751 2.415 20 10 CECDHN CC[C@@H]([NH2+]CC1(N)CCOCC1)c1ccc(F)cc1[O-] ZINC000863542157 646751691 /nfs/dbraw/zinc/75/16/91/646751691.db2.gz SHYTVBWLAIXUOK-CYBMUJFWSA-N 0 3 282.359 2.080 20 10 CECDHN C[C@H](NCC(=O)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC000775832017 646997124 /nfs/dbraw/zinc/99/71/24/646997124.db2.gz WHZLIWICJBHNMI-ZDUSSCGKSA-N 0 3 289.423 2.320 20 10 CECDHN CCN(CC)c1ccc(CN[C@@](C)(CO)COC)cc1F ZINC000777483797 647140139 /nfs/dbraw/zinc/14/01/39/647140139.db2.gz ZXJKEFPDCJKNKP-INIZCTEOSA-N 0 3 298.402 2.159 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000865690537 647423818 /nfs/dbraw/zinc/42/38/18/647423818.db2.gz IGEQTWHKFLMWPM-CKYFFXLPSA-N 0 3 251.326 2.056 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000783518692 647723624 /nfs/dbraw/zinc/72/36/24/647723624.db2.gz NQWFHYGNYOOFQQ-RYUDHWBXSA-N 0 3 253.342 2.094 20 10 CECDHN C[C@@H]([NH2+]CCCNc1ncccn1)c1ccccc1[O-] ZINC000783519490 647723936 /nfs/dbraw/zinc/72/39/36/647723936.db2.gz LUCPDNMBDJBQKA-GFCCVEGCSA-N 0 3 272.352 2.335 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c([O-])c1 ZINC000786169125 647990816 /nfs/dbraw/zinc/99/08/16/647990816.db2.gz QTNDJKHPNOCGJQ-WDEREUQCSA-N 0 3 253.342 2.304 20 10 CECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202300 649030580 /nfs/dbraw/zinc/03/05/80/649030580.db2.gz CPJKRBHAEDCVBM-VXGBXAGGSA-N 0 3 274.364 2.107 20 10 CECDHN CCCOc1ccc(CN[C@H]2CCCNC2=O)cc1C ZINC000873031179 649536743 /nfs/dbraw/zinc/53/67/43/649536743.db2.gz QDOJJDRFPIYZJX-AWEZNQCLSA-N 0 3 276.380 2.152 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873155922 649573463 /nfs/dbraw/zinc/57/34/63/649573463.db2.gz IJHIKVCNXZYUGX-XUJVJEKNSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NCc1cccs1)c1ccccc1[O-] ZINC000879648109 651335007 /nfs/dbraw/zinc/33/50/07/651335007.db2.gz YSVCXKSIASWCCS-LLVKDONJSA-N 0 3 290.388 2.421 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N(C)c1nccs1)c1ccccc1[O-] ZINC000879648438 651335093 /nfs/dbraw/zinc/33/50/93/651335093.db2.gz PAWXIJJDTKIVSM-SNVBAGLBSA-N 0 3 291.376 2.162 20 10 CECDHN C[C@@H](NCC(=O)N(C)c1nccs1)c1ccccc1O ZINC000879648438 651335095 /nfs/dbraw/zinc/33/50/95/651335095.db2.gz PAWXIJJDTKIVSM-SNVBAGLBSA-N 0 3 291.376 2.162 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1[O-] ZINC000879650217 651335599 /nfs/dbraw/zinc/33/55/99/651335599.db2.gz PZKBAANYHMVHOY-KGLIPLIRSA-N 0 3 293.407 2.347 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCC(F)(F)F ZINC000879651922 651336145 /nfs/dbraw/zinc/33/61/45/651336145.db2.gz PFPFIZLKWUJDDJ-IUCAKERBSA-N 0 3 290.285 2.110 20 10 CECDHN CCCN(CCC)c1ccc(CN[C@H](C)C(N)=O)cc1 ZINC000135940343 653018398 /nfs/dbraw/zinc/01/83/98/653018398.db2.gz ODEPWMVHGYCBTI-CYBMUJFWSA-N 0 3 277.412 2.276 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])cccc2Br)C[C@@H](C)[NH2+]1 ZINC000706855313 802842786 /nfs/dbraw/zinc/84/27/86/802842786.db2.gz BXSWPHKTPCJKIY-NXEZZACHSA-N 0 3 299.212 2.337 20 10 CECDHN CN(C)c1ccc(CN2CC(N(C)C)C2)c(Cl)c1 ZINC001140921480 803606145 /nfs/dbraw/zinc/60/61/45/803606145.db2.gz FIXWEVUMVFZJTK-UHFFFAOYSA-N 0 3 267.804 2.152 20 10 CECDHN CCN1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1=O ZINC000722355837 804353128 /nfs/dbraw/zinc/35/31/28/804353128.db2.gz HFARTLFKRFEZTR-GXFFZTMASA-N 0 3 280.343 2.193 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1=O ZINC000722361528 804382449 /nfs/dbraw/zinc/38/24/49/804382449.db2.gz MUQVIBMPDBLDLI-OCCSQVGLSA-N 0 3 276.380 2.362 20 10 CECDHN CC1(CC[NH2+][C@H]2CCc3cccc([O-])c32)OCCO1 ZINC000716044965 815017479 /nfs/dbraw/zinc/01/74/79/815017479.db2.gz OVICDUYKGQRABI-LBPRGKRZSA-N 0 3 263.337 2.122 20 10 CECDHN CCC(=O)NCC1(NCc2ccc(OC)c(C)c2)CC1 ZINC001269356934 805140115 /nfs/dbraw/zinc/14/01/15/805140115.db2.gz VSBVCWJJLIFIPH-UHFFFAOYSA-N 0 3 276.380 2.152 20 10 CECDHN Cc1cc(F)cc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC001238057211 808292983 /nfs/dbraw/zinc/29/29/83/808292983.db2.gz JMUUKZDWFKTJNG-ZWNOBZJWSA-N 0 3 253.317 2.185 20 10 CECDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC001238057211 808292990 /nfs/dbraw/zinc/29/29/90/808292990.db2.gz JMUUKZDWFKTJNG-ZWNOBZJWSA-N 0 3 253.317 2.185 20 10 CECDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171778872 815231780 /nfs/dbraw/zinc/23/17/80/815231780.db2.gz XFXRDBGBFVFDCS-GFCCVEGCSA-N 0 3 273.307 2.494 20 10 CECDHN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001172777336 815518516 /nfs/dbraw/zinc/51/85/16/815518516.db2.gz PRSODUAFJGSOCW-WCQYABFASA-N 0 3 293.363 2.309 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001170523772 812619942 /nfs/dbraw/zinc/61/99/42/812619942.db2.gz INPVWBKGCYDQTQ-OLZOCXBDSA-N 0 3 277.364 2.440 20 10 CECDHN CCCN1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000389440439 813251609 /nfs/dbraw/zinc/25/16/09/813251609.db2.gz NPULIUGJFKHBSJ-ZDUSSCGKSA-N 0 3 252.333 2.105 20 10 CECDHN CNC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000398514118 813675901 /nfs/dbraw/zinc/67/59/01/813675901.db2.gz RJCSVQNQCIISTM-CYBMUJFWSA-N 0 3 284.359 2.113 20 10 CECDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000398514118 813675907 /nfs/dbraw/zinc/67/59/07/813675907.db2.gz RJCSVQNQCIISTM-CYBMUJFWSA-N 0 3 284.359 2.113 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@H](OC)C23CCC3)c([O-])c1 ZINC000713480343 814858901 /nfs/dbraw/zinc/85/89/01/814858901.db2.gz HRFXCZQJGRTXCJ-CABCVRRESA-N 0 3 277.364 2.448 20 10 CECDHN CCOc1ccc(N2CCN(C[C@@H](C)OC)CC2)cc1 ZINC001116533558 814860949 /nfs/dbraw/zinc/86/09/49/814860949.db2.gz BUACLFCZHUGADN-CQSZACIVSA-N 0 3 278.396 2.242 20 10 CECDHN C[N@@H+]1C[C@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC001138128302 815733930 /nfs/dbraw/zinc/73/39/30/815733930.db2.gz BJCPZVQHCIZEBX-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1C[C@H]2CCCN(Cc3cccc(F)c3[O-])[C@@H]2C1 ZINC001138128302 815733939 /nfs/dbraw/zinc/73/39/39/815733939.db2.gz BJCPZVQHCIZEBX-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN COC(=O)c1cccc(O)c1Nc1ccncc1C ZINC001174539340 816026024 /nfs/dbraw/zinc/02/60/24/816026024.db2.gz CPIKITIEKJETFC-UHFFFAOYSA-N 0 3 258.277 2.048 20 10 CECDHN CC(C)(C(N)=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055450 816179747 /nfs/dbraw/zinc/17/97/47/816179747.db2.gz ZJQHGFWRIFYVDJ-UHFFFAOYSA-N 0 3 294.370 2.255 20 10 CECDHN CCN1CCN(c2ccc(CN3CC(C)(F)C3)cc2)CC1 ZINC001140302474 816227169 /nfs/dbraw/zinc/22/71/69/816227169.db2.gz RSVJPEZRDREPSP-UHFFFAOYSA-N 0 3 291.414 2.372 20 10 CECDHN Cc1c(O)ccc(CN2CC3(C2)CCCOC3)c1O ZINC001140743836 816339595 /nfs/dbraw/zinc/33/95/95/816339595.db2.gz AXNBLGNSMPBOFK-UHFFFAOYSA-N 0 3 263.337 2.019 20 10 CECDHN [NH3+]C[C@@H]1CCCCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001206623889 816418206 /nfs/dbraw/zinc/41/82/06/816418206.db2.gz QNLPVCZEQAZOAM-JTQLQIEISA-N 0 3 270.323 2.231 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(OC)c1 ZINC001141028978 816451090 /nfs/dbraw/zinc/45/10/90/816451090.db2.gz GCJRZDFVGWUQEG-BETUJISGSA-N 0 3 277.364 2.497 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c(OC)c1 ZINC001141028978 816451098 /nfs/dbraw/zinc/45/10/98/816451098.db2.gz GCJRZDFVGWUQEG-BETUJISGSA-N 0 3 277.364 2.497 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(OC)c1 ZINC001141031973 816452893 /nfs/dbraw/zinc/45/28/93/816452893.db2.gz OWKAIPLMMASILJ-BZNIZROVSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c(OC)c1 ZINC001141031973 816452897 /nfs/dbraw/zinc/45/28/97/816452897.db2.gz OWKAIPLMMASILJ-BZNIZROVSA-N 0 3 295.379 2.002 20 10 CECDHN CC(=O)[C@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141144303 816484925 /nfs/dbraw/zinc/48/49/25/816484925.db2.gz ZAMQLCZBLVWJNQ-HNNXBMFYSA-N 0 3 288.391 2.316 20 10 CECDHN C[C@H]1CCCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000137192309 344387550 /nfs/dbraw/zinc/38/75/50/344387550.db2.gz LQQLAGHUTSJXAB-AWEZNQCLSA-N 0 3 289.423 2.101 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000051991430 362456277 /nfs/dbraw/zinc/45/62/77/362456277.db2.gz PUKIAZBQGOQGEN-CHWSQXEVSA-N 0 3 265.353 2.184 20 10 CECDHN COc1ccc(O)c(CN2CCCO[C@H](C)C2)c1 ZINC000134152194 366291151 /nfs/dbraw/zinc/29/11/51/366291151.db2.gz RATGMYAFBAXZRZ-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000134152194 366291158 /nfs/dbraw/zinc/29/11/58/366291158.db2.gz RATGMYAFBAXZRZ-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000134152194 366291165 /nfs/dbraw/zinc/29/11/65/366291165.db2.gz RATGMYAFBAXZRZ-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN CC[C@@](C)(CCO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000134472313 366328084 /nfs/dbraw/zinc/32/80/84/366328084.db2.gz KEWAWMANRDEGQS-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN CCCOc1ccc(C[N@H+](C)C[C@H](C)C(=O)OC)c([O-])c1 ZINC000091986724 364073097 /nfs/dbraw/zinc/07/30/97/364073097.db2.gz CZDYBERQQSYJKG-LBPRGKRZSA-N 0 3 295.379 2.422 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)C[C@H](C)C(=O)OC)c([O-])c1 ZINC000091986724 364073105 /nfs/dbraw/zinc/07/31/05/364073105.db2.gz CZDYBERQQSYJKG-LBPRGKRZSA-N 0 3 295.379 2.422 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092067542 364075499 /nfs/dbraw/zinc/07/54/99/364075499.db2.gz DEJMRVRYWIQBIX-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000092067542 364075501 /nfs/dbraw/zinc/07/55/01/364075501.db2.gz DEJMRVRYWIQBIX-HNNXBMFYSA-N 0 3 279.380 2.328 20 10 CECDHN CC[C@@H](C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171948769 367646071 /nfs/dbraw/zinc/64/60/71/367646071.db2.gz IWUZUWUVAKVEAX-CQSZACIVSA-N 0 3 291.439 2.347 20 10 CECDHN CC(=O)N1CCCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000179812090 368354173 /nfs/dbraw/zinc/35/41/73/368354173.db2.gz RHWSCRQFISLXDF-UHFFFAOYSA-N 0 3 276.380 2.063 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccccc1[O-] ZINC000179902236 368357276 /nfs/dbraw/zinc/35/72/76/368357276.db2.gz LAVUKRVMIVSVRB-CQSZACIVSA-N 0 3 298.386 2.402 20 10 CECDHN COCCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180215686 368373241 /nfs/dbraw/zinc/37/32/41/368373241.db2.gz XSYTYCWGCYJQKC-LBPRGKRZSA-N 0 3 283.343 2.016 20 10 CECDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180215686 368373247 /nfs/dbraw/zinc/37/32/47/368373247.db2.gz XSYTYCWGCYJQKC-LBPRGKRZSA-N 0 3 283.343 2.016 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423610 368381148 /nfs/dbraw/zinc/38/11/48/368381148.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423610 368381154 /nfs/dbraw/zinc/38/11/54/368381154.db2.gz VWSSZXSXLHNZPL-TZMCWYRMSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423628 368382031 /nfs/dbraw/zinc/38/20/31/368382031.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1 ZINC000180423628 368382034 /nfs/dbraw/zinc/38/20/34/368382034.db2.gz VWSSZXSXLHNZPL-GXTWGEPZSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000180700904 368393790 /nfs/dbraw/zinc/39/37/90/368393790.db2.gz FRMZVGRFCXCLKT-AAEUAGOBSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)cc1OC ZINC000180700904 368393793 /nfs/dbraw/zinc/39/37/93/368393793.db2.gz FRMZVGRFCXCLKT-AAEUAGOBSA-N 0 3 295.379 2.002 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[O-] ZINC000183312368 368622231 /nfs/dbraw/zinc/62/22/31/368622231.db2.gz GCJUBBOFIQXXCT-CYBMUJFWSA-N 0 3 278.352 2.275 20 10 CECDHN C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cc(F)ccc1[O-] ZINC000185116543 368750252 /nfs/dbraw/zinc/75/02/52/368750252.db2.gz JNCSEHMUZLCEKX-GFCCVEGCSA-N 0 3 296.386 2.029 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](OC)C2)c1[O-] ZINC000188331257 369339644 /nfs/dbraw/zinc/33/96/44/369339644.db2.gz RIHWQKHFJLCQHP-RISCZKNCSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](OC)C2)c1[O-] ZINC000188331257 369339647 /nfs/dbraw/zinc/33/96/47/369339647.db2.gz RIHWQKHFJLCQHP-RISCZKNCSA-N 0 3 265.353 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188828764 369415139 /nfs/dbraw/zinc/41/51/39/369415139.db2.gz NUQQIBWYSALXNZ-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000189114842 369460752 /nfs/dbraw/zinc/46/07/52/369460752.db2.gz YBMFPSXVZZIUKS-QWRGUYRKSA-N 0 3 253.342 2.304 20 10 CECDHN Cc1ccc(O)c([C@@H](C)NC[C@@H](O)C(F)(F)F)c1 ZINC000230659185 370461852 /nfs/dbraw/zinc/46/18/52/370461852.db2.gz QRJSPHPXBIVDQR-LDYMZIIASA-N 0 3 263.259 2.274 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-] ZINC000249849252 371367437 /nfs/dbraw/zinc/36/74/37/371367437.db2.gz PBJAYHXDSMQAGF-GZBFAFLISA-N 0 3 277.364 2.448 20 10 CECDHN COc1ccc(O)c(CN2CCS[C@H]3COCC[C@H]32)c1 ZINC000252733934 371474836 /nfs/dbraw/zinc/47/48/36/371474836.db2.gz TVSVXVLZPJXEDT-HIFRSBDPSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000252733934 371474839 /nfs/dbraw/zinc/47/48/39/371474839.db2.gz TVSVXVLZPJXEDT-HIFRSBDPSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1 ZINC000252733934 371474842 /nfs/dbraw/zinc/47/48/42/371474842.db2.gz TVSVXVLZPJXEDT-HIFRSBDPSA-N 0 3 295.404 2.107 20 10 CECDHN Cn1ccc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000267038563 372055564 /nfs/dbraw/zinc/05/55/64/372055564.db2.gz CDPLPRHSJILMRX-UHFFFAOYSA-N 0 3 285.391 2.152 20 10 CECDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)CC)cc1 ZINC000268739545 372204145 /nfs/dbraw/zinc/20/41/45/372204145.db2.gz RETFCABGMJFRJS-STQMWFEESA-N 0 3 277.412 2.318 20 10 CECDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000270578097 372849458 /nfs/dbraw/zinc/84/94/58/372849458.db2.gz WAIBQOPPIKMYBF-LBPRGKRZSA-N 0 3 275.270 2.024 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[O-] ZINC000367067893 373135418 /nfs/dbraw/zinc/13/54/18/373135418.db2.gz OWGQMUDJNLGYLR-YNZJMPHRSA-N 0 3 274.364 2.100 20 10 CECDHN COc1ccc(O)c(CN2CCc3ccccc3[C@H]2CO)c1 ZINC000271780389 373201257 /nfs/dbraw/zinc/20/12/57/373201257.db2.gz HQNCEQJOCRLJAK-QGZVFWFLSA-N 0 3 299.370 2.493 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1ccccc1[O-] ZINC000368602874 373249032 /nfs/dbraw/zinc/24/90/32/373249032.db2.gz LIRYWQHBBSHGFY-WOSRLPQWSA-N 0 3 277.364 2.381 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1F ZINC000272322535 373429527 /nfs/dbraw/zinc/42/95/27/373429527.db2.gz IRCLUYIBASXTLJ-KGLIPLIRSA-N 0 3 266.360 2.141 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000272632786 373591704 /nfs/dbraw/zinc/59/17/04/373591704.db2.gz NILHDQHRPQYXIJ-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000272632786 373591708 /nfs/dbraw/zinc/59/17/08/373591708.db2.gz NILHDQHRPQYXIJ-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1O ZINC000273779469 373770260 /nfs/dbraw/zinc/77/02/60/373770260.db2.gz SLDCAQHWZKBAOH-JOYOIKCWSA-N 0 3 285.771 2.257 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2[O-])C[C@H]1O ZINC000273779469 373770268 /nfs/dbraw/zinc/77/02/68/373770268.db2.gz SLDCAQHWZKBAOH-JOYOIKCWSA-N 0 3 285.771 2.257 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c1 ZINC000273359263 373754080 /nfs/dbraw/zinc/75/40/80/373754080.db2.gz ACUFWHADJCXYEG-RYUDHWBXSA-N 0 3 260.341 2.031 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C2CC2)c([O-])c1C ZINC000273386963 373754129 /nfs/dbraw/zinc/75/41/29/373754129.db2.gz JSQKHBDSUITMIA-GFCCVEGCSA-N 0 3 276.380 2.186 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1ccc(C)c(C)c1O ZINC000273445324 373757248 /nfs/dbraw/zinc/75/72/48/373757248.db2.gz DYDTXPZDFPWZFA-DGCLKSJQSA-N 0 3 299.436 2.483 20 10 CECDHN Cc1ccc([C@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273498527 373759847 /nfs/dbraw/zinc/75/98/47/373759847.db2.gz PTWZNTVAUBHNOX-SWLSCSKDSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c1 ZINC000273520444 373762242 /nfs/dbraw/zinc/76/22/42/373762242.db2.gz UAZZDMWTMZWWFD-CHWSQXEVSA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1C ZINC000273540963 373762417 /nfs/dbraw/zinc/76/24/17/373762417.db2.gz YIPTZGTWRIKXCB-CHWSQXEVSA-N 0 3 288.391 2.423 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(C(N)=O)CCCC2)c([O-])c1 ZINC000273604677 373766559 /nfs/dbraw/zinc/76/65/59/373766559.db2.gz SVNMSCMTQZCGNC-GFCCVEGCSA-N 0 3 276.380 2.397 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000371528359 373912160 /nfs/dbraw/zinc/91/21/60/373912160.db2.gz LHTMYIFONXFZSQ-UHFFFAOYSA-N 0 3 287.334 2.151 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)c1 ZINC000282342569 375461070 /nfs/dbraw/zinc/46/10/70/375461070.db2.gz OWMNLPZJLSXVMZ-ADLMAVQZSA-N 0 3 267.394 2.262 20 10 CECDHN CCOc1cccc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000283910219 375779113 /nfs/dbraw/zinc/77/91/13/375779113.db2.gz IHKATKNUXSQWSM-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)NCCF)c([O-])c1 ZINC000285366493 375838153 /nfs/dbraw/zinc/83/81/53/375838153.db2.gz VUMKVGLTAOAZOP-NWDGAFQWSA-N 0 3 282.359 2.134 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCC2(O)CCOCC2)c1 ZINC000287605276 376274393 /nfs/dbraw/zinc/27/43/93/376274393.db2.gz SEUWFJVSDZIKDP-CYBMUJFWSA-N 0 3 279.380 2.283 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccccc1[O-] ZINC000289752867 376483966 /nfs/dbraw/zinc/48/39/66/376483966.db2.gz QRQGVONXDJKCSF-UNPMEBSKSA-N 0 3 259.349 2.247 20 10 CECDHN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccccc1[O-] ZINC000289752867 376483971 /nfs/dbraw/zinc/48/39/71/376483971.db2.gz QRQGVONXDJKCSF-UNPMEBSKSA-N 0 3 259.349 2.247 20 10 CECDHN CCC[C@@H](C)C(=O)NCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000293798659 377763387 /nfs/dbraw/zinc/76/33/87/377763387.db2.gz DCALDHUNJXIHOU-LLVKDONJSA-N 0 3 282.359 2.173 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](O)CC2)cc1F ZINC000294120096 377911553 /nfs/dbraw/zinc/91/15/53/377911553.db2.gz TVWNJBHMGALKHQ-ZDUSSCGKSA-N 0 3 266.360 2.239 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000294271856 377962492 /nfs/dbraw/zinc/96/24/92/377962492.db2.gz LVYXNCDASBPNJC-GFCCVEGCSA-N 0 3 264.369 2.138 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294657404 378002968 /nfs/dbraw/zinc/00/29/68/378002968.db2.gz HDTMNAWOOVPSDG-STQMWFEESA-N 0 3 299.436 2.483 20 10 CECDHN CCS(=O)(=O)C[C@H](C)N[C@@H](C)c1c(C)cc(C)cc1O ZINC000294657404 378002969 /nfs/dbraw/zinc/00/29/69/378002969.db2.gz HDTMNAWOOVPSDG-STQMWFEESA-N 0 3 299.436 2.483 20 10 CECDHN Cn1cc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000297625531 378688003 /nfs/dbraw/zinc/68/80/03/378688003.db2.gz JBLKIXVNRHNMTB-AWEZNQCLSA-N 0 3 271.364 2.335 20 10 CECDHN COCCC1CC[NH+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000529638716 380181316 /nfs/dbraw/zinc/18/13/16/380181316.db2.gz WDNUGFNCECXHNZ-UHFFFAOYSA-N 0 3 293.363 2.369 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CCN(C)C)c1[O-] ZINC000228672841 394476376 /nfs/dbraw/zinc/47/63/76/394476376.db2.gz IIVWCVGAGWYJPM-JTQLQIEISA-N 0 3 286.803 2.484 20 10 CECDHN COC(=O)C[C@H]1CSCCN1Cc1cc(C)ccc1O ZINC000093610805 394668811 /nfs/dbraw/zinc/66/88/11/394668811.db2.gz HFCZHAZNFQEWFU-ZDUSSCGKSA-N 0 3 295.404 2.181 20 10 CECDHN Cc1csc(=O)n1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000109771731 394735313 /nfs/dbraw/zinc/73/53/13/394735313.db2.gz DFMCNJBAICRPKU-UHFFFAOYSA-N 0 3 278.377 2.056 20 10 CECDHN Cc1csc(=O)n1CC[N@H+](C)Cc1ccccc1[O-] ZINC000109771731 394735318 /nfs/dbraw/zinc/73/53/18/394735318.db2.gz DFMCNJBAICRPKU-UHFFFAOYSA-N 0 3 278.377 2.056 20 10 CECDHN CCN1CC[C@@H](C[NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000124714123 394839859 /nfs/dbraw/zinc/83/98/59/394839859.db2.gz GGILFOQDZPNFER-NSHDSACASA-N 0 3 268.788 2.477 20 10 CECDHN CCN1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000131705493 394916470 /nfs/dbraw/zinc/91/64/70/394916470.db2.gz KUSDTDUXLRMQFX-UHFFFAOYSA-N 0 3 254.761 2.183 20 10 CECDHN CCN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000131705493 394916476 /nfs/dbraw/zinc/91/64/76/394916476.db2.gz KUSDTDUXLRMQFX-UHFFFAOYSA-N 0 3 254.761 2.183 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000373321607 395058625 /nfs/dbraw/zinc/05/86/25/395058625.db2.gz GLKZITBUBQLQKD-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1[O-] ZINC000373321607 395058627 /nfs/dbraw/zinc/05/86/27/395058627.db2.gz GLKZITBUBQLQKD-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN Cn1cc(C[C@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000376534868 395124310 /nfs/dbraw/zinc/12/43/10/395124310.db2.gz IQPNZIIKLHBNCH-GFCCVEGCSA-N 0 3 289.354 2.329 20 10 CECDHN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C2)cn1 ZINC000376534868 395124312 /nfs/dbraw/zinc/12/43/12/395124312.db2.gz IQPNZIIKLHBNCH-GFCCVEGCSA-N 0 3 289.354 2.329 20 10 CECDHN CCCOc1ccc(C[NH2+]C(C)(C)CCO)c([O-])c1 ZINC000174578989 395125414 /nfs/dbraw/zinc/12/54/14/395125414.db2.gz AYFQGUNQIQMRNS-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CN(C)c1ccc(CN2CC([C@@H]3CCOC3)C2)cc1F ZINC000376137276 395110503 /nfs/dbraw/zinc/11/05/03/395110503.db2.gz XCSXOSLEOOPRRH-CYBMUJFWSA-N 0 3 278.371 2.360 20 10 CECDHN CC[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874419 395158604 /nfs/dbraw/zinc/15/86/04/395158604.db2.gz XQXTVNCGSRXIQD-HZPDHXFCSA-N 0 3 289.423 2.462 20 10 CECDHN CC(C)C[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178711189 395172176 /nfs/dbraw/zinc/17/21/76/395172176.db2.gz FTFSLOLRVMSDBX-INIZCTEOSA-N 0 3 289.423 2.276 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000183378758 395255709 /nfs/dbraw/zinc/25/57/09/395255709.db2.gz VLAXYFBGMHCZEF-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000183378758 395255715 /nfs/dbraw/zinc/25/57/15/395255715.db2.gz VLAXYFBGMHCZEF-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400662 395408112 /nfs/dbraw/zinc/40/81/12/395408112.db2.gz SNCOQRTYKNQKTP-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400662 395408115 /nfs/dbraw/zinc/40/81/15/395408115.db2.gz SNCOQRTYKNQKTP-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN Cc1ccc(O)c(CN(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000193400662 395408117 /nfs/dbraw/zinc/40/81/17/395408117.db2.gz SNCOQRTYKNQKTP-GASCZTMLSA-N 0 3 292.423 2.242 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038043964 174051536 /nfs/dbraw/zinc/05/15/36/174051536.db2.gz VUWDCXPWQNHNLH-RYUDHWBXSA-N 0 3 265.353 2.478 20 10 CECDHN Cc1cc(C)cc(N(C)C(=O)c2cn[n-]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662522913 415873984 /nfs/dbraw/zinc/87/39/84/415873984.db2.gz GSKWIKINRHERGW-CYBMUJFWSA-N 0 3 298.390 2.380 20 10 CECDHN CCN(CC(=O)NCc1ccc(N(C)C)cc1)CC1CC1 ZINC000157919855 261155662 /nfs/dbraw/zinc/15/56/62/261155662.db2.gz IDGKCDKINVDMEL-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN CCOc1ccc(O)c(CN2CCC(C(=O)OC)CC2)c1 ZINC000159229700 261181590 /nfs/dbraw/zinc/18/15/90/261181590.db2.gz MNMVDRYAGOMBIF-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cc(F)ccc1[O-] ZINC000185142694 262044078 /nfs/dbraw/zinc/04/40/78/262044078.db2.gz HOVKWAVECDYEBU-PWSUYJOCSA-N 0 3 252.333 2.276 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCOC2=O)c([O-])c1 ZINC000185332863 262050599 /nfs/dbraw/zinc/05/05/99/262050599.db2.gz SXJSTFRJZYLJHN-GFCCVEGCSA-N 0 3 278.352 2.194 20 10 CECDHN CC[C@@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185438674 262054618 /nfs/dbraw/zinc/05/46/18/262054618.db2.gz ZKOGZCWKLILRRZ-JRPNMDOOSA-N 0 3 267.369 2.458 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CO[C@H]2CCOC2)c1 ZINC000185673437 262066056 /nfs/dbraw/zinc/06/60/56/262066056.db2.gz CFPTUJKDTYMSCH-DYEKYZERSA-N 0 3 295.379 2.245 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186030493 262076319 /nfs/dbraw/zinc/07/63/19/262076319.db2.gz IYGPEZYADKMXMO-ZJUUUORDSA-N 0 3 289.372 2.005 20 10 CECDHN COC[C@H](O)CC[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186203111 262084795 /nfs/dbraw/zinc/08/47/95/262084795.db2.gz YKBYBKNKYOZDON-IUODEOHRSA-N 0 3 293.407 2.319 20 10 CECDHN CC[C@@H]([NH2+]C[C@](C)(O)CCOC)c1ccccc1[O-] ZINC000186195996 262312939 /nfs/dbraw/zinc/31/29/39/262312939.db2.gz FRPGZODYRGWMFZ-UKRRQHHQSA-N 0 3 267.369 2.220 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289882344 263112600 /nfs/dbraw/zinc/11/26/00/263112600.db2.gz WDHZRNMOUZVSNK-VXGBXAGGSA-N 0 3 285.771 2.399 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289882344 263112601 /nfs/dbraw/zinc/11/26/01/263112601.db2.gz WDHZRNMOUZVSNK-VXGBXAGGSA-N 0 3 285.771 2.399 20 10 CECDHN CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000188494563 264013135 /nfs/dbraw/zinc/01/31/35/264013135.db2.gz VNCAPQCYUJVBIB-UWVGGRQHSA-N 0 3 268.332 2.049 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCOCC(F)F)c1[O-] ZINC000189008332 264260594 /nfs/dbraw/zinc/26/05/94/264260594.db2.gz LPPGCPGKHWWGHO-UHFFFAOYSA-N 0 3 295.713 2.426 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC3(CCO3)CC2)cc1OC ZINC000367245145 266183171 /nfs/dbraw/zinc/18/31/71/266183171.db2.gz VRMNWWKVYPFISI-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc(O)c(CN2CCC3(CCO3)CC2)cc1OC ZINC000367245145 266183174 /nfs/dbraw/zinc/18/31/74/266183174.db2.gz VRMNWWKVYPFISI-UHFFFAOYSA-N 0 3 293.363 2.164 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1C ZINC000363264244 267083670 /nfs/dbraw/zinc/08/36/70/267083670.db2.gz KHQJIEBPCGZFHH-YUELXQCFSA-N 0 3 288.391 2.108 20 10 CECDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1C ZINC000363264244 267083671 /nfs/dbraw/zinc/08/36/71/267083671.db2.gz KHQJIEBPCGZFHH-YUELXQCFSA-N 0 3 288.391 2.108 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000368041615 267141250 /nfs/dbraw/zinc/14/12/50/267141250.db2.gz UQHMMJKPLBSSGX-GMXVVIOVSA-N 0 3 253.317 2.248 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000368041615 267141253 /nfs/dbraw/zinc/14/12/53/267141253.db2.gz UQHMMJKPLBSSGX-GMXVVIOVSA-N 0 3 253.317 2.248 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC12CCC2 ZINC000369649301 267257589 /nfs/dbraw/zinc/25/75/89/267257589.db2.gz QDIUQEOVSSDNEL-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC12CCC2 ZINC000369649301 267257590 /nfs/dbraw/zinc/25/75/90/267257590.db2.gz QDIUQEOVSSDNEL-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)N1CCOCC1 ZINC000295829031 275861424 /nfs/dbraw/zinc/86/14/24/275861424.db2.gz DVMMAGBXRQTERY-CQSZACIVSA-N 0 3 290.407 2.080 20 10 CECDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C1CC1 ZINC000297776134 278211286 /nfs/dbraw/zinc/21/12/86/278211286.db2.gz PLLHELHKQBBQFV-RISCZKNCSA-N 0 3 260.381 2.452 20 10 CECDHN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccccc1[O-] ZINC000272861332 328201085 /nfs/dbraw/zinc/20/10/85/328201085.db2.gz MXZVZROCIBONSB-KCJUWKMLSA-N 0 3 263.259 2.356 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000180240149 329218788 /nfs/dbraw/zinc/21/87/88/329218788.db2.gz CGMWJCNNLMQWDB-CQSZACIVSA-N 0 3 251.301 2.144 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000180240149 329218790 /nfs/dbraw/zinc/21/87/90/329218790.db2.gz CGMWJCNNLMQWDB-CQSZACIVSA-N 0 3 251.301 2.144 20 10 CECDHN CN(C)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000289537965 328255062 /nfs/dbraw/zinc/25/50/62/328255062.db2.gz HYCCRLLPAJSZLG-AWEZNQCLSA-N 0 3 292.379 2.445 20 10 CECDHN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000289537965 328255063 /nfs/dbraw/zinc/25/50/63/328255063.db2.gz HYCCRLLPAJSZLG-AWEZNQCLSA-N 0 3 292.379 2.445 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@H](CO)C2)cc1F ZINC000378344950 329046766 /nfs/dbraw/zinc/04/67/66/329046766.db2.gz FLLOISJAYBJVLW-AWEZNQCLSA-N 0 3 280.387 2.486 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378495756 329052984 /nfs/dbraw/zinc/05/29/84/329052984.db2.gz MMWUCACXCXZXRH-JTQLQIEISA-N 0 3 276.315 2.029 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000378495756 329052986 /nfs/dbraw/zinc/05/29/86/329052986.db2.gz MMWUCACXCXZXRH-JTQLQIEISA-N 0 3 276.315 2.029 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000179569030 329209742 /nfs/dbraw/zinc/20/97/42/329209742.db2.gz XDRRZTCFFRHVRG-MRXNPFEDSA-N 0 3 290.407 2.079 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000179569030 329209743 /nfs/dbraw/zinc/20/97/43/329209743.db2.gz XDRRZTCFFRHVRG-MRXNPFEDSA-N 0 3 290.407 2.079 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccccc1[O-] ZINC000183618769 329251367 /nfs/dbraw/zinc/25/13/67/329251367.db2.gz VPSKQOYSNMYJQB-PWSUYJOCSA-N 0 3 257.337 2.323 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CCCO)c1[O-] ZINC000228676368 329344416 /nfs/dbraw/zinc/34/44/16/329344416.db2.gz HJSZBRUPYQVGKN-SECBINFHSA-N 0 3 273.760 2.305 20 10 CECDHN CCOc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c([O-])c1 ZINC000527765585 330281699 /nfs/dbraw/zinc/28/16/99/330281699.db2.gz JNEZVZNARJTOJX-BLLLJJGKSA-N 0 3 277.364 2.448 20 10 CECDHN CCn1nncc1CN[C@H](C)c1cc(C)ccc1O ZINC000527913728 330294877 /nfs/dbraw/zinc/29/48/77/330294877.db2.gz BEVWTZXZTDRJRG-LLVKDONJSA-N 0 3 260.341 2.163 20 10 CECDHN CCn1nncc1CN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000527918869 330295505 /nfs/dbraw/zinc/29/55/05/330295505.db2.gz FJWAXRJOBBWWJW-JOYOIKCWSA-N 0 3 290.342 2.481 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527978358 330302236 /nfs/dbraw/zinc/30/22/36/330302236.db2.gz HTWBYJWOZFLXSH-RWWNRMGGSA-N 0 3 263.337 2.230 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378937 331307025 /nfs/dbraw/zinc/30/70/25/331307025.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 0 3 278.371 2.447 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378937 331307026 /nfs/dbraw/zinc/30/70/26/331307026.db2.gz FGUROKCVMWRJSY-DOMZBBRYSA-N 0 3 278.371 2.447 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000226583690 333265610 /nfs/dbraw/zinc/26/56/10/333265610.db2.gz GZDJXCLOEXSFDA-UHFFFAOYSA-N 0 3 264.344 2.248 20 10 CECDHN C[C@]1(C(N)=O)CC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000235716734 333371868 /nfs/dbraw/zinc/37/18/68/333371868.db2.gz YGRDAZCVMFRGOB-KRWDZBQOSA-N 0 3 284.359 2.243 20 10 CECDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000235716734 333371870 /nfs/dbraw/zinc/37/18/70/333371870.db2.gz YGRDAZCVMFRGOB-KRWDZBQOSA-N 0 3 284.359 2.243 20 10 CECDHN CCOc1cccc(C[NH2+]CCCn2cccn2)c1[O-] ZINC000134479874 334091835 /nfs/dbraw/zinc/09/18/35/334091835.db2.gz OILFVNIRXQPJDA-UHFFFAOYSA-N 0 3 275.352 2.167 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000252566746 334382749 /nfs/dbraw/zinc/38/27/49/334382749.db2.gz ZVOGOFMNQMJISF-KKUMJFAQSA-N 0 3 290.407 2.214 20 10 CECDHN COC(CN(Cc1ccc(N(C)C)cc1)C1CC1)OC ZINC000275626458 522530252 /nfs/dbraw/zinc/53/02/52/522530252.db2.gz OKDJZEKGOOQNGC-UHFFFAOYSA-N 0 3 278.396 2.336 20 10 CECDHN CC(C)CCOCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000045094384 519668716 /nfs/dbraw/zinc/66/87/16/519668716.db2.gz SYCOUGKQRBDAHW-UHFFFAOYSA-N 0 3 281.352 2.273 20 10 CECDHN CCCCC[N@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000126893378 520171641 /nfs/dbraw/zinc/17/16/41/520171641.db2.gz NBEOIJGQLUWICH-UHFFFAOYSA-N 0 3 281.352 2.105 20 10 CECDHN CCCCC[N@@H+](CCO)Cc1cc2c(cc1[O-])OCO2 ZINC000126893378 520171651 /nfs/dbraw/zinc/17/16/51/520171651.db2.gz NBEOIJGQLUWICH-UHFFFAOYSA-N 0 3 281.352 2.105 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC[C@H](C)O)c1 ZINC000278626074 521152504 /nfs/dbraw/zinc/15/25/04/521152504.db2.gz KDQJFSPXLZBXCP-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COCC ZINC000076074344 521689901 /nfs/dbraw/zinc/68/99/01/521689901.db2.gz TXXHTBMHLSSVMC-AWEZNQCLSA-N 0 3 267.369 2.002 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)COCC ZINC000076074344 521689902 /nfs/dbraw/zinc/68/99/02/521689902.db2.gz TXXHTBMHLSSVMC-AWEZNQCLSA-N 0 3 267.369 2.002 20 10 CECDHN CN(C)c1ccc(CN2CCCC[C@H]2C(=N)NO)cc1 ZINC000365151914 522177611 /nfs/dbraw/zinc/17/76/11/522177611.db2.gz UQXQGFCZQZMBLW-AWEZNQCLSA-N 0 3 276.384 2.063 20 10 CECDHN CC[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280888533 522627563 /nfs/dbraw/zinc/62/75/63/522627563.db2.gz OVYRROWTAUOJKB-FMKPAKJESA-N 0 3 293.407 2.386 20 10 CECDHN CC[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245553 522747123 /nfs/dbraw/zinc/74/71/23/522747123.db2.gz WGHBTXGVDRNHLL-LSDHHAIUSA-N 0 3 289.379 2.208 20 10 CECDHN COC(=O)C1(C[NH2+][C@H](C)c2cc(OC)ccc2[O-])CC1 ZINC000289929877 522830900 /nfs/dbraw/zinc/83/09/00/522830900.db2.gz YXTBWFNLVFFURH-SNVBAGLBSA-N 0 3 279.336 2.005 20 10 CECDHN CC[C@@H]([NH2+]Cc1cccc(OC)c1[O-])C(C)(C)O ZINC000292929975 522882828 /nfs/dbraw/zinc/88/28/28/522882828.db2.gz GWSSZZGIZBJFCD-GFCCVEGCSA-N 0 3 253.342 2.040 20 10 CECDHN CN(Cc1ccc(O)cc1)Cc1cc2c(cc1O)OCO2 ZINC000290308542 523270675 /nfs/dbraw/zinc/27/06/75/523270675.db2.gz BYDWRFIREBHAGJ-UHFFFAOYSA-N 0 3 287.315 2.459 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1O ZINC000280370269 524409617 /nfs/dbraw/zinc/40/96/17/524409617.db2.gz DJSZNYLNNUBOJE-JJRVBVJISA-N 0 3 291.391 2.469 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2c2nccn2C)c1[O-] ZINC000275642120 524441858 /nfs/dbraw/zinc/44/18/58/524441858.db2.gz TUZBRGIXDYQEAO-ZFWWWQNUSA-N 0 3 287.363 2.054 20 10 CECDHN C[C@@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1CO ZINC000276747747 524508703 /nfs/dbraw/zinc/50/87/03/524508703.db2.gz LIUHBYCGGRJQAB-ABAIWWIYSA-N 0 3 266.360 2.094 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000280642431 525345613 /nfs/dbraw/zinc/34/56/13/525345613.db2.gz NFXQAQAWICJYJW-SFHVURJKSA-N 0 3 267.394 2.091 20 10 CECDHN COc1cccc(C[NH2+]CCCOCC2CC2)c1[O-] ZINC000020190635 526014007 /nfs/dbraw/zinc/01/40/07/526014007.db2.gz DUAFGZYIHYEHCJ-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CSCCS1 ZINC000131148515 526373858 /nfs/dbraw/zinc/37/38/58/526373858.db2.gz YNIFQIIJFZYYJI-NSHDSACASA-N 0 3 255.408 2.330 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1OC ZINC000753575203 574511257 /nfs/dbraw/zinc/51/12/57/574511257.db2.gz GRSVXSHKGBNXKK-BONVTDFDSA-N 0 3 281.352 2.067 20 10 CECDHN CCOC[C@H](O)CN(C)Cc1ccc(N(CC)CC)cc1 ZINC000733610310 574682633 /nfs/dbraw/zinc/68/26/33/574682633.db2.gz IBERZUBZBBQYKO-QGZVFWFLSA-N 0 3 294.439 2.362 20 10 CECDHN CCCN(C)CC(=O)NCc1ccc(N(C)C)cc1C ZINC000734557503 574719943 /nfs/dbraw/zinc/71/99/43/574719943.db2.gz GLLNJBISWNLCNG-UHFFFAOYSA-N 0 3 277.412 2.019 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000756731956 574822613 /nfs/dbraw/zinc/82/26/13/574822613.db2.gz DTKNRUWXINVLMI-QWHCGFSZSA-N 0 3 267.369 2.403 20 10 CECDHN O=C(c1cc([O-])cs1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000743490412 575105054 /nfs/dbraw/zinc/10/50/54/575105054.db2.gz UUYWZWPDACFNGE-NSHDSACASA-N 0 3 280.393 2.012 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000725841462 625611682 /nfs/dbraw/zinc/61/16/82/625611682.db2.gz JIDDVWQPLLMANO-ZDUSSCGKSA-N 0 3 251.326 2.060 20 10 CECDHN CCN(CC)c1ccc(CN(CC(N)=O)CC(C)C)cc1 ZINC000092012066 625680655 /nfs/dbraw/zinc/68/06/55/625680655.db2.gz YRLLLFNGLWLJSU-UHFFFAOYSA-N 0 3 291.439 2.476 20 10 CECDHN COc1ccc(C[N@H+](C)CC2CCOCC2)c([O-])c1OC ZINC000892003129 624243111 /nfs/dbraw/zinc/24/31/11/624243111.db2.gz DAPMTULLJIFKPJ-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN COc1ccc(C[N@@H+](C)CC2CCOCC2)c([O-])c1OC ZINC000892003129 624243114 /nfs/dbraw/zinc/24/31/14/624243114.db2.gz DAPMTULLJIFKPJ-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)CC2CC2)cc1 ZINC000052128159 624789914 /nfs/dbraw/zinc/78/99/14/624789914.db2.gz PRPWEFRWANJWPG-UHFFFAOYSA-N 0 3 289.423 2.053 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000310711649 625905188 /nfs/dbraw/zinc/90/51/88/625905188.db2.gz CTSJFYXOSZBHFK-ZWNOBZJWSA-N 0 3 253.317 2.172 20 10 CECDHN C[C@H]([NH2+]CC[S@@](=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850495683 627291212 /nfs/dbraw/zinc/29/12/12/627291212.db2.gz HFRMVJJJXVXNOC-ZRNGKTOUSA-N 0 3 295.326 2.354 20 10 CECDHN COc1ccc(CNCc2cccc(C)n2)c(O)c1OC ZINC000892595339 627296811 /nfs/dbraw/zinc/29/68/11/627296811.db2.gz HFIULWFVMZAPRX-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN Cc1c(CNCc2ccc(N(C)C)cc2C)cnn1C ZINC000162614271 628377799 /nfs/dbraw/zinc/37/77/99/628377799.db2.gz ZBCLZZMHVHGJCD-UHFFFAOYSA-N 0 3 272.396 2.393 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CNCCC1(F)F)c1ccc(F)cc1[O-] ZINC000925781694 628808277 /nfs/dbraw/zinc/80/82/77/628808277.db2.gz JLSKVYDHOKCDSR-VHSXEESVSA-N 0 3 288.313 2.427 20 10 CECDHN Cc1nc([C@H](C)NCc2cc(C)c(C)cc2O)n[nH]1 ZINC000894772150 629626489 /nfs/dbraw/zinc/62/64/89/629626489.db2.gz GJMSVAQHCRELGO-JTQLQIEISA-N 0 3 260.341 2.286 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000797070850 630123283 /nfs/dbraw/zinc/12/32/83/630123283.db2.gz NFVGBHOYDRCUAN-NWDGAFQWSA-N 0 3 297.420 2.317 20 10 CECDHN CC1=NO[C@@H](CNCc2ccc3c(c2)CCCO3)C1 ZINC000895428529 630179260 /nfs/dbraw/zinc/17/92/60/630179260.db2.gz IADTZTRUKZLHMG-CQSZACIVSA-N 0 3 260.337 2.266 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000895459732 630202262 /nfs/dbraw/zinc/20/22/62/630202262.db2.gz HNBOMDFUJUJMDN-QJPTWQEYSA-N 0 3 263.337 2.385 20 10 CECDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000895853827 630377943 /nfs/dbraw/zinc/37/79/43/630377943.db2.gz HXHZYVSZJLKWGA-FZMZJTMJSA-N 0 3 283.343 2.063 20 10 CECDHN CCOc1ccc(C[NH2+]CC2([S@](C)=O)CCC2)c([O-])c1 ZINC000797903881 630777237 /nfs/dbraw/zinc/77/72/37/630777237.db2.gz WKWUXJKBBHAJAD-FQEVSTJZSA-N 0 3 297.420 2.182 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+]CC2(N)CC2)c1 ZINC000904449104 635640824 /nfs/dbraw/zinc/64/08/24/635640824.db2.gz GQBJZFFDQOOBIP-UHFFFAOYSA-N 0 3 285.185 2.044 20 10 CECDHN C[C@@H]([NH2+]C[C@H](CO)c1cccnc1)c1cc(F)ccc1[O-] ZINC000806178040 631724493 /nfs/dbraw/zinc/72/44/93/631724493.db2.gz BNSCQXCMMVPUSO-DGCLKSJQSA-N 0 3 290.338 2.353 20 10 CECDHN C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)c1cc([O-])cs1 ZINC000807776952 631870140 /nfs/dbraw/zinc/87/01/40/631870140.db2.gz JILBXJLCAOGLTH-CMPLNLGQSA-N 0 3 280.393 2.153 20 10 CECDHN C[C@H]1[C@H](N2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776952 631870146 /nfs/dbraw/zinc/87/01/46/631870146.db2.gz JILBXJLCAOGLTH-CMPLNLGQSA-N 0 3 280.393 2.153 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000808686928 632001299 /nfs/dbraw/zinc/00/12/99/632001299.db2.gz OZGBWRHNJKNMMV-SKDRFNHKSA-N 0 3 282.771 2.283 20 10 CECDHN CCO[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1[O-])CN(C)C ZINC000926964924 632394717 /nfs/dbraw/zinc/39/47/17/632394717.db2.gz YLBKQACHFCQRAQ-WCQYABFASA-N 0 3 284.375 2.149 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccc(C)cc1[O-] ZINC000926982789 632403902 /nfs/dbraw/zinc/40/39/02/632403902.db2.gz RQWRKYMGMUNMNF-GXTWGEPZSA-N 0 3 276.380 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000816665364 633459980 /nfs/dbraw/zinc/45/99/80/633459980.db2.gz DLGFCBURLPWHTA-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000816665364 633459982 /nfs/dbraw/zinc/45/99/82/633459982.db2.gz DLGFCBURLPWHTA-NSHDSACASA-N 0 3 253.317 2.126 20 10 CECDHN COC1([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000817419274 633656478 /nfs/dbraw/zinc/65/64/78/633656478.db2.gz FCQKFVIDKSBUNV-NSHDSACASA-N 0 3 283.343 2.205 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817864844 633747036 /nfs/dbraw/zinc/74/70/36/633747036.db2.gz DTTUQGUHFNQYSZ-UHFFFAOYSA-N 0 3 266.772 2.374 20 10 CECDHN CNCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817952113 633796536 /nfs/dbraw/zinc/79/65/36/633796536.db2.gz NKLHHLCPHCCGOV-SSDOTTSWSA-N 0 3 291.164 2.164 20 10 CECDHN CC[C@@H]([NH2+]CCNCCOC)c1cc(Cl)ccc1[O-] ZINC000817965500 633806134 /nfs/dbraw/zinc/80/61/34/633806134.db2.gz VUUURQOGQICLMV-CYBMUJFWSA-N 0 3 286.803 2.322 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000818357987 633915504 /nfs/dbraw/zinc/91/55/04/633915504.db2.gz MKQIJUMPITXDPI-CZULRBLNSA-N 0 3 251.301 2.193 20 10 CECDHN CC[C@@H](NCc1ccc(N2CCCCC2)cc1)C(=O)NC ZINC000825315869 635613181 /nfs/dbraw/zinc/61/31/81/635613181.db2.gz HCIGJVJAICSZJD-MRXNPFEDSA-N 0 3 289.423 2.291 20 10 CECDHN C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826910298 635879344 /nfs/dbraw/zinc/87/93/44/635879344.db2.gz DWOUTBXIHRIADO-JMERFSKESA-N 0 3 285.384 2.311 20 10 CECDHN CC(C)N(CC[S@](C)=O)Cc1ccc(N(C)C)cc1 ZINC000827441763 636321098 /nfs/dbraw/zinc/32/10/98/636321098.db2.gz CDKDZELBITUNSK-IBGZPJMESA-N 0 3 282.453 2.342 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000827699582 636397683 /nfs/dbraw/zinc/39/76/83/636397683.db2.gz JITRWYPCKSVLPW-BLLLJJGKSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000827699582 636397688 /nfs/dbraw/zinc/39/76/88/636397688.db2.gz JITRWYPCKSVLPW-BLLLJJGKSA-N 0 3 279.380 2.241 20 10 CECDHN COc1cccc(CN2CCCc3n[nH]cc3C2)c1O ZINC000828013538 636486489 /nfs/dbraw/zinc/48/64/89/636486489.db2.gz DCNKIHVGDKXNRK-UHFFFAOYSA-N 0 3 273.336 2.072 20 10 CECDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000828491263 636609142 /nfs/dbraw/zinc/60/91/42/636609142.db2.gz XWYWDELAZHTDRN-MNOVXSKESA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000828491263 636609152 /nfs/dbraw/zinc/60/91/52/636609152.db2.gz XWYWDELAZHTDRN-MNOVXSKESA-N 0 3 282.409 2.399 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H]2CCCCNC2)c1[O-] ZINC000841091133 637745205 /nfs/dbraw/zinc/74/52/05/637745205.db2.gz URVDAHRREGEGKA-NSHDSACASA-N 0 3 299.758 2.186 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834531205 637856389 /nfs/dbraw/zinc/85/63/89/637856389.db2.gz SDLRSQUFPAHPMZ-KBPBESRZSA-N 0 3 279.380 2.003 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2CCCO)c([O-])c1 ZINC000834850405 637970906 /nfs/dbraw/zinc/97/09/06/637970906.db2.gz LXWZMWNTEXMLOG-LSDHHAIUSA-N 0 3 292.423 2.198 20 10 CECDHN CC[C@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(=O)NC ZINC000834910894 637986262 /nfs/dbraw/zinc/98/62/62/637986262.db2.gz GJRLGWMITDSSSC-STQMWFEESA-N 0 3 264.369 2.266 20 10 CECDHN CN(C)c1ccc(/C=C/CN[C@H]2CCCCNC2=O)cc1 ZINC000835037805 638033861 /nfs/dbraw/zinc/03/38/61/638033861.db2.gz XRUASKLPXUCXOX-JFDDCEBESA-N 0 3 287.407 2.024 20 10 CECDHN CCC1CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000835073409 638048213 /nfs/dbraw/zinc/04/82/13/638048213.db2.gz AIUGTMOLDCUNLO-UHFFFAOYSA-N 0 3 251.326 2.251 20 10 CECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NCCc1ccccc1 ZINC000835072565 638048940 /nfs/dbraw/zinc/04/89/40/638048940.db2.gz HDJRCHRGTPZUFW-CQSZACIVSA-N 0 3 298.386 2.229 20 10 CECDHN CCCCCCN(C)CC(=O)NCc1ccc(O)cc1O ZINC000910955817 638195325 /nfs/dbraw/zinc/19/53/25/638195325.db2.gz UZAMXDONWAUGNG-UHFFFAOYSA-N 0 3 294.395 2.226 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876783088 650430162 /nfs/dbraw/zinc/43/01/62/650430162.db2.gz ZNRNIKZDJSMMDP-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876783088 650430164 /nfs/dbraw/zinc/43/01/64/650430164.db2.gz ZNRNIKZDJSMMDP-OAHLLOKOSA-N 0 3 263.337 2.086 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]C1CCNCC1 ZINC000841026517 639620006 /nfs/dbraw/zinc/62/00/06/639620006.db2.gz GLKOTPORZRUGAL-UHFFFAOYSA-N 0 3 258.724 2.026 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(CNC[C@H]2CCC[NH2+]C2)c1[O-] ZINC000841033595 639626420 /nfs/dbraw/zinc/62/64/20/639626420.db2.gz WRSQDWCNKBALNI-VIFPVBQESA-N 0 3 299.758 2.043 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CNCC[C@H]1CCC[NH2+]1 ZINC000841054963 639634343 /nfs/dbraw/zinc/63/43/43/639634343.db2.gz IQFICNMGYKHDLG-SECBINFHSA-N 0 3 272.751 2.416 20 10 CECDHN C[C@@H]1C[NH2+]CC[C@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063589 639639758 /nfs/dbraw/zinc/63/97/58/639639758.db2.gz LDIZLOUPQIMRMU-LDYMZIIASA-N 0 3 299.758 2.041 20 10 CECDHN C[C@@H]1CNCC[C@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063589 639639761 /nfs/dbraw/zinc/63/97/61/639639761.db2.gz LDIZLOUPQIMRMU-LDYMZIIASA-N 0 3 299.758 2.041 20 10 CECDHN CC[C@H](N)C[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000841072546 639643346 /nfs/dbraw/zinc/64/33/46/639643346.db2.gz PLHBNAUNKWKPHF-JTQLQIEISA-N 0 3 287.201 2.290 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)NCc1ccccc1 ZINC000876991749 650522707 /nfs/dbraw/zinc/52/27/07/650522707.db2.gz UALHAPVRGRHGTJ-UHFFFAOYSA-N 0 3 298.386 2.497 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCc2ccn(C)n2)c([O-])c1 ZINC000230897887 639805009 /nfs/dbraw/zinc/80/50/09/639805009.db2.gz YHKSUOPWBUOHCP-GFCCVEGCSA-N 0 3 259.353 2.327 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000842913311 640220668 /nfs/dbraw/zinc/22/06/68/640220668.db2.gz ZHLNGEOQCZQKJO-UORFTKCHSA-N 0 3 281.327 2.083 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843046350 640251517 /nfs/dbraw/zinc/25/15/17/640251517.db2.gz XCUASCRFQZALRG-WFASDCNBSA-N 0 3 278.371 2.495 20 10 CECDHN CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000846096683 641181263 /nfs/dbraw/zinc/18/12/63/641181263.db2.gz JZQBHLZCOSEIEF-LLVKDONJSA-N 0 3 296.798 2.312 20 10 CECDHN COc1ccc(O)c([C@H](C)NCC(=O)N[C@@H](C)C(C)C)c1 ZINC000182406097 641655650 /nfs/dbraw/zinc/65/56/50/641655650.db2.gz MTXOGXRCCGHPTO-RYUDHWBXSA-N 0 3 294.395 2.212 20 10 CECDHN CCOC(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000081545518 641902800 /nfs/dbraw/zinc/90/28/00/641902800.db2.gz SWHUHZPZRLVYAC-LLVKDONJSA-N 0 3 251.326 2.386 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c([O-])c1 ZINC000877429724 650716582 /nfs/dbraw/zinc/71/65/82/650716582.db2.gz MEJRWFPMFNIPKJ-CYBMUJFWSA-N 0 3 257.337 2.002 20 10 CECDHN CCOc1ccc(C[N@H+](CCCO)C2CC2)c([O-])c1 ZINC000769405818 642134150 /nfs/dbraw/zinc/13/41/50/642134150.db2.gz YPEZDGBDQHWSSH-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+](CCCO)C2CC2)c([O-])c1 ZINC000769405818 642134154 /nfs/dbraw/zinc/13/41/54/642134154.db2.gz YPEZDGBDQHWSSH-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC[C@H](C)S(C)(=O)=O)cc1 ZINC000773104977 642566151 /nfs/dbraw/zinc/56/61/51/642566151.db2.gz PMHJKATVJIKPPW-QWHCGFSZSA-N 0 3 298.452 2.226 20 10 CECDHN COc1ccc(N2CC[C@@H](NCc3ccccn3)C2)cc1 ZINC000850345758 642674541 /nfs/dbraw/zinc/67/45/41/642674541.db2.gz JTCJCSRQHIHBAZ-OAHLLOKOSA-N 0 3 283.375 2.459 20 10 CECDHN CCOCc1cc(CN[C@@H]2C[C@]2(C)OC)ccc1OC ZINC000850409712 642703226 /nfs/dbraw/zinc/70/32/26/642703226.db2.gz YXZYFXTXWMMGNK-CVEARBPZSA-N 0 3 279.380 2.499 20 10 CECDHN c1cc2n(n1)CCC[C@H]2NCc1ccc2c(c1)CCO2 ZINC000850431026 642710251 /nfs/dbraw/zinc/71/02/51/642710251.db2.gz YIORVAPLHVQBMQ-CQSZACIVSA-N 0 3 269.348 2.443 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000850484291 642729144 /nfs/dbraw/zinc/72/91/44/642729144.db2.gz GKEYJPUYBQXPCU-YWPYICTPSA-N 0 3 265.353 2.094 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000850545763 642747238 /nfs/dbraw/zinc/74/72/38/642747238.db2.gz DXZIOCFESKFOIG-WCQYABFASA-N 0 3 262.353 2.020 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](O)C13CCC3)CC2 ZINC000850547845 642749190 /nfs/dbraw/zinc/74/91/90/642749190.db2.gz XIQCTVQJGCOEFW-KWCYVHTRSA-N 0 3 259.349 2.273 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877636403 650827736 /nfs/dbraw/zinc/82/77/36/650827736.db2.gz WHEOCPWKBWZREW-QWHCGFSZSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877636403 650827738 /nfs/dbraw/zinc/82/77/38/650827738.db2.gz WHEOCPWKBWZREW-QWHCGFSZSA-N 0 3 277.364 2.332 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H](O)C(F)(F)F ZINC000877693761 650854380 /nfs/dbraw/zinc/85/43/80/650854380.db2.gz QCMZRABCHJXNDP-ZWNOBZJWSA-N 0 3 290.329 2.462 20 10 CECDHN CCOc1ccc(O)c(CN2CC(C)(COC)C2)c1 ZINC000839145757 644158181 /nfs/dbraw/zinc/15/81/81/644158181.db2.gz TYIADSGLNUTFDH-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1ccc([C@H](CO)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000839185309 644182692 /nfs/dbraw/zinc/18/26/92/644182692.db2.gz SHUCDBWBDPBQCB-HNNXBMFYSA-N 0 3 287.359 2.267 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000756137170 644608819 /nfs/dbraw/zinc/60/88/19/644608819.db2.gz JBZFQEVTOUAXLS-UHFFFAOYSA-N 0 3 286.331 2.060 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000756137170 644608822 /nfs/dbraw/zinc/60/88/22/644608822.db2.gz JBZFQEVTOUAXLS-UHFFFAOYSA-N 0 3 286.331 2.060 20 10 CECDHN COc1cccc(O)c1CN1CCc2cc[nH]c(=O)c2C1 ZINC000756137170 644608824 /nfs/dbraw/zinc/60/88/24/644608824.db2.gz JBZFQEVTOUAXLS-UHFFFAOYSA-N 0 3 286.331 2.060 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756583610 644672491 /nfs/dbraw/zinc/67/24/91/644672491.db2.gz CIMWWDOKVZLHDL-PKWAYOAASA-N 0 3 297.370 2.457 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@@H](C)CO)c([O-])c1 ZINC000758577348 644942547 /nfs/dbraw/zinc/94/25/47/644942547.db2.gz DSSIDFLPFWQUFX-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN COc1ccc(N2CC[C@@H](Nc3ccnc(CO)c3)C2)cc1 ZINC000858620349 645223197 /nfs/dbraw/zinc/22/31/97/645223197.db2.gz BYTKHHKYFDJFIG-CQSZACIVSA-N 0 3 299.374 2.273 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](O)c2ccco2)c1[O-] ZINC000761199190 645256183 /nfs/dbraw/zinc/25/61/83/645256183.db2.gz XEOQFVADVYZQTA-NSHDSACASA-N 0 3 297.738 2.470 20 10 CECDHN CCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441770 646122505 /nfs/dbraw/zinc/12/25/05/646122505.db2.gz MTCVSCDAKGBWEB-ZDUSSCGKSA-N 0 3 251.326 2.050 20 10 CECDHN CCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441770 646122508 /nfs/dbraw/zinc/12/25/08/646122508.db2.gz MTCVSCDAKGBWEB-ZDUSSCGKSA-N 0 3 251.326 2.050 20 10 CECDHN CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464007 646126574 /nfs/dbraw/zinc/12/65/74/646126574.db2.gz YTWMQEVAEFLGPZ-RISCZKNCSA-N 0 3 295.404 2.145 20 10 CECDHN CSC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464007 646126581 /nfs/dbraw/zinc/12/65/81/646126581.db2.gz YTWMQEVAEFLGPZ-RISCZKNCSA-N 0 3 295.404 2.145 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000768518949 646134897 /nfs/dbraw/zinc/13/48/97/646134897.db2.gz JRIJIKBADOPYFK-CHWSQXEVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000768518949 646134898 /nfs/dbraw/zinc/13/48/98/646134898.db2.gz JRIJIKBADOPYFK-CHWSQXEVSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC000769528743 646282691 /nfs/dbraw/zinc/28/26/91/646282691.db2.gz ZBOFWHLVRKQREF-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c([O-])c1 ZINC000769528743 646282693 /nfs/dbraw/zinc/28/26/93/646282693.db2.gz ZBOFWHLVRKQREF-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN COc1ccc(O)c(CN[C@H](CO)c2ccsc2)c1 ZINC000770667510 646423123 /nfs/dbraw/zinc/42/31/23/646423123.db2.gz GUEDCJQQERWPJH-CYBMUJFWSA-N 0 3 279.361 2.286 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1ccc[nH]c1=O ZINC000862536950 646488835 /nfs/dbraw/zinc/48/88/35/646488835.db2.gz ZAQLMKUHHAFWMZ-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1ccc(F)cc1[O-] ZINC000863546635 646753850 /nfs/dbraw/zinc/75/38/50/646753850.db2.gz MBVUPWOYGJDFRM-CKYFFXLPSA-N 0 3 252.333 2.322 20 10 CECDHN CCN(C)c1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC000773848976 646780868 /nfs/dbraw/zinc/78/08/68/646780868.db2.gz QVVGHPZGQCACIN-MRXNPFEDSA-N 0 3 285.395 2.181 20 10 CECDHN CCOc1ccc(C[NH2+]CCC(C)(C)O)c([O-])c1 ZINC000775370600 646946641 /nfs/dbraw/zinc/94/66/41/646946641.db2.gz QWVYYVONKYTMHA-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN C[C@@H](NCc1cc(=O)c(O)co1)c1ccc(N(C)C)cc1 ZINC000775832270 646997037 /nfs/dbraw/zinc/99/70/37/646997037.db2.gz XSAFWGSKOBRBOM-LLVKDONJSA-N 0 3 288.347 2.262 20 10 CECDHN C[C@@H](O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891980 647477387 /nfs/dbraw/zinc/47/73/87/647477387.db2.gz FQTKSJZEJRFALO-OCCSQVGLSA-N 0 3 280.387 2.485 20 10 CECDHN C[C@H](O)[C@H]1CCCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000780891979 647477665 /nfs/dbraw/zinc/47/76/65/647477665.db2.gz FQTKSJZEJRFALO-JSGCOSHPSA-N 0 3 280.387 2.485 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccccc1[O-] ZINC000783506583 647722274 /nfs/dbraw/zinc/72/22/74/647722274.db2.gz YMDXVPKJKNECDE-NWDGAFQWSA-N 0 3 257.337 2.464 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000783505591 647722548 /nfs/dbraw/zinc/72/25/48/647722548.db2.gz IEWZPAVOYQOPGF-RYUDHWBXSA-N 0 3 278.352 2.274 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000783728980 647752489 /nfs/dbraw/zinc/75/24/89/647752489.db2.gz KMVPGXPXNWFCDZ-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000783728980 647752491 /nfs/dbraw/zinc/75/24/91/647752491.db2.gz KMVPGXPXNWFCDZ-OAHLLOKOSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)c([O-])c1 ZINC000786169123 647990628 /nfs/dbraw/zinc/99/06/28/647990628.db2.gz QTNDJKHPNOCGJQ-QWRGUYRKSA-N 0 3 253.342 2.304 20 10 CECDHN CCOc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c([O-])c1 ZINC000793253842 648731710 /nfs/dbraw/zinc/73/17/10/648731710.db2.gz FHIDSTAZRZXYGT-CYBMUJFWSA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(O)c(C[NH2+]Cc2ncccc2[O-])c1 ZINC000793260104 648733477 /nfs/dbraw/zinc/73/34/77/648733477.db2.gz YZELBMKMHUPBEK-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN CCOc1cccc(CNCc2ccc(OC)cc2O)n1 ZINC000793388149 648749040 /nfs/dbraw/zinc/74/90/40/648749040.db2.gz NHYRSPNUPRQEAC-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnc3ccccn23)c([O-])c1 ZINC000793388678 648749411 /nfs/dbraw/zinc/74/94/11/648749411.db2.gz RHPIAYFICZHQQW-UHFFFAOYSA-N 0 3 283.331 2.338 20 10 CECDHN Cc1cc(C)c(O)c(CN(C)[C@@H]2CCCCN(C)C2=O)c1 ZINC000872672411 649453700 /nfs/dbraw/zinc/45/37/00/649453700.db2.gz OCKBPJUHXOETSE-OAHLLOKOSA-N 0 3 290.407 2.452 20 10 CECDHN CCCOc1ccc(CN[C@](C)(CO)COC)cc1C ZINC000873069249 649550444 /nfs/dbraw/zinc/55/04/44/649550444.db2.gz ABKNVWAIUUQSKF-MRXNPFEDSA-N 0 3 281.396 2.271 20 10 CECDHN CCCN1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879463398 651307052 /nfs/dbraw/zinc/30/70/52/651307052.db2.gz GADGCFWBAUVIHS-UHFFFAOYSA-N 0 3 264.369 2.236 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1[O-] ZINC000879648371 651335084 /nfs/dbraw/zinc/33/50/84/651335084.db2.gz LRBDUODBTUNGSJ-QWHCGFSZSA-N 0 3 276.380 2.444 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CCC(C)C ZINC000883187878 652393463 /nfs/dbraw/zinc/39/34/63/652393463.db2.gz YLMBTLITJVRRSH-LBPRGKRZSA-N 0 3 267.369 2.288 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1[O-] ZINC000883395181 652454074 /nfs/dbraw/zinc/45/40/74/652454074.db2.gz ORYIRJGJBZOINL-UKRRQHHQSA-N 0 3 288.391 2.444 20 10 CECDHN C[C@]1([NH3+])CCN(Cc2ccc(C(F)(F)F)cc2[O-])C1 ZINC001204800263 806087311 /nfs/dbraw/zinc/08/73/11/806087311.db2.gz APZIZHCGLJUTGP-LBPRGKRZSA-N 0 3 274.286 2.334 20 10 CECDHN COc1ccc(N2CCN(C[C@@H]3C[C@H]3C)CC2)c(OC)c1 ZINC001209426378 802522688 /nfs/dbraw/zinc/52/26/88/802522688.db2.gz KEYIWQIRUAWVFF-KGLIPLIRSA-N 0 3 290.407 2.482 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032001 803669418 /nfs/dbraw/zinc/66/94/18/803669418.db2.gz PUMMTBJSHACRII-BZNIZROVSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c(OC)c1 ZINC001141032001 803669419 /nfs/dbraw/zinc/66/94/19/803669419.db2.gz PUMMTBJSHACRII-BZNIZROVSA-N 0 3 295.379 2.002 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299919364 803921435 /nfs/dbraw/zinc/92/14/35/803921435.db2.gz MEZLLTDIJYJICK-GXFFZTMASA-N 0 3 266.772 2.229 20 10 CECDHN C[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000037152693 815018028 /nfs/dbraw/zinc/01/80/28/815018028.db2.gz QJKKOPVRHWEGAY-VOMCLLRMSA-N 0 3 262.353 2.087 20 10 CECDHN C[C@H](C[NH2+]Cc1ccccc1[O-])CC1(C)OCCO1 ZINC000716006176 815027720 /nfs/dbraw/zinc/02/77/20/815027720.db2.gz KTDVBHIZXZSMMM-LBPRGKRZSA-N 0 3 265.353 2.271 20 10 CECDHN COC[C@@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC001118909683 815054461 /nfs/dbraw/zinc/05/44/61/815054461.db2.gz XHNNZMCFLZKYPV-SECBINFHSA-N 0 3 258.312 2.155 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2n[nH]cc2C)c1 ZINC000716484106 815131721 /nfs/dbraw/zinc/13/17/21/815131721.db2.gz SLYFIRPSEYVFGU-SNVBAGLBSA-N 0 3 261.325 2.283 20 10 CECDHN CC(C)[N@H+](C)CCCNCc1ccc(F)c(F)c1[O-] ZINC000703211737 809632176 /nfs/dbraw/zinc/63/21/76/809632176.db2.gz BQIIEGDPOPDSJT-UHFFFAOYSA-N 0 3 272.339 2.490 20 10 CECDHN CC(C)[N@@H+](C)CCCNCc1ccc(F)c(F)c1[O-] ZINC000703211737 809632178 /nfs/dbraw/zinc/63/21/78/809632178.db2.gz BQIIEGDPOPDSJT-UHFFFAOYSA-N 0 3 272.339 2.490 20 10 CECDHN CC(C)N(C)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703211737 809632179 /nfs/dbraw/zinc/63/21/79/809632179.db2.gz BQIIEGDPOPDSJT-UHFFFAOYSA-N 0 3 272.339 2.490 20 10 CECDHN C[N@@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001276373586 810750715 /nfs/dbraw/zinc/75/07/15/810750715.db2.gz GPPQMARHLIBKHG-IYBDPMFKSA-N 0 3 298.386 2.060 20 10 CECDHN C[N@H+]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2ccccc2c1[O-] ZINC001276373586 810750720 /nfs/dbraw/zinc/75/07/20/810750720.db2.gz GPPQMARHLIBKHG-IYBDPMFKSA-N 0 3 298.386 2.060 20 10 CECDHN O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039854 811348945 /nfs/dbraw/zinc/34/89/45/811348945.db2.gz UWXVJXIZSLICMZ-AAEUAGOBSA-N 0 3 276.336 2.196 20 10 CECDHN O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039854 811348956 /nfs/dbraw/zinc/34/89/56/811348956.db2.gz UWXVJXIZSLICMZ-AAEUAGOBSA-N 0 3 276.336 2.196 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CO1 ZINC001169335226 811489813 /nfs/dbraw/zinc/48/98/13/811489813.db2.gz QSHUHPGLZRGEAM-ZOWXZIJZSA-N 0 3 293.363 2.154 20 10 CECDHN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C)[C@@H](O)C2)c1O ZINC000388201525 813231548 /nfs/dbraw/zinc/23/15/48/813231548.db2.gz SETBJLIDWUZGBW-OQPBUACISA-N 0 3 283.755 2.061 20 10 CECDHN Cc1nc(CN[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000392379236 813303137 /nfs/dbraw/zinc/30/31/37/813303137.db2.gz KLMAEHDNUQTZRI-SNVBAGLBSA-N 0 3 259.357 2.030 20 10 CECDHN [NH3+][C@H]1CN(Cc2cc(Cl)ccc2[O-])CC(F)(F)C1 ZINC001206117793 814023024 /nfs/dbraw/zinc/02/30/24/814023024.db2.gz WQNKOCDRYWGOBF-SNVBAGLBSA-N 0 3 276.714 2.214 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCCS(C)(=O)=O)c([O-])c1 ZINC000692842054 814611733 /nfs/dbraw/zinc/61/17/33/814611733.db2.gz LDLRKGQUDSZEEH-GFCCVEGCSA-N 0 3 285.409 2.176 20 10 CECDHN CCN1CC[C@@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000712568784 814767453 /nfs/dbraw/zinc/76/74/53/814767453.db2.gz GIUFUAKTMFTFEQ-GFCCVEGCSA-N 0 3 284.787 2.238 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116444089 814853404 /nfs/dbraw/zinc/85/34/04/814853404.db2.gz QDYJVIYBEUIIAG-WFASDCNBSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001116444089 814853409 /nfs/dbraw/zinc/85/34/09/814853409.db2.gz QDYJVIYBEUIIAG-WFASDCNBSA-N 0 3 277.364 2.402 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058200 816180689 /nfs/dbraw/zinc/18/06/89/816180689.db2.gz TWONACYFFTUZAO-GHMZBOCLSA-N 0 3 281.327 2.305 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058200 816180690 /nfs/dbraw/zinc/18/06/90/816180690.db2.gz TWONACYFFTUZAO-GHMZBOCLSA-N 0 3 281.327 2.305 20 10 CECDHN O=C1CC[C@@]2(CCC[N@@H+](Cc3cc(F)ccc3[O-])C2)O1 ZINC001140060304 816181694 /nfs/dbraw/zinc/18/16/94/816181694.db2.gz UTHQBNKTYHKBCI-OAHLLOKOSA-N 0 3 279.311 2.203 20 10 CECDHN O=C1CC[C@@]2(CCC[N@H+](Cc3cc(F)ccc3[O-])C2)O1 ZINC001140060304 816181698 /nfs/dbraw/zinc/18/16/98/816181698.db2.gz UTHQBNKTYHKBCI-OAHLLOKOSA-N 0 3 279.311 2.203 20 10 CECDHN CN1CC[C@]2(CC[N@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584227 816293699 /nfs/dbraw/zinc/29/36/99/816293699.db2.gz JQXPWIHXLVQJIC-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@]2(CC[N@@H+](Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001140584227 816293704 /nfs/dbraw/zinc/29/37/04/816293704.db2.gz JQXPWIHXLVQJIC-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN Cc1ccc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c(O)c1 ZINC001140947955 816421773 /nfs/dbraw/zinc/42/17/73/816421773.db2.gz MUZKIEINHARVGK-YPMHNXCESA-N 0 3 269.291 2.167 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCOC(C)(C)C2)c(OC)c1 ZINC001141028579 816450560 /nfs/dbraw/zinc/45/05/60/816450560.db2.gz VOASUOOWRPPLTG-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCOC(C)(C)C2)c(OC)c1 ZINC001141028579 816450562 /nfs/dbraw/zinc/45/05/62/816450562.db2.gz VOASUOOWRPPLTG-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](CCO)C2)c(OC)c1 ZINC001141028624 816450570 /nfs/dbraw/zinc/45/05/70/816450570.db2.gz XMDIJMRZCLXUIH-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](CCO)C2)c(OC)c1 ZINC001141028624 816450574 /nfs/dbraw/zinc/45/05/74/816450574.db2.gz XMDIJMRZCLXUIH-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC(C)(OC)CC2)c(OC)c1 ZINC001141031752 816452976 /nfs/dbraw/zinc/45/29/76/816452976.db2.gz JGBYWZKRNSWEIE-UHFFFAOYSA-N 0 3 295.379 2.410 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@](C)(O)C2)c(OC)c1 ZINC001141032216 816453166 /nfs/dbraw/zinc/45/31/66/816453166.db2.gz WGFSDGBPFSHDLS-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@](C)(O)C2)c(OC)c1 ZINC001141032216 816453167 /nfs/dbraw/zinc/45/31/67/816453167.db2.gz WGFSDGBPFSHDLS-INIZCTEOSA-N 0 3 295.379 2.146 20 10 CECDHN CN(CCC[NH+](C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142502037 816675655 /nfs/dbraw/zinc/67/56/55/816675655.db2.gz HBGPDMACRGYJFS-UHFFFAOYSA-N 0 3 258.312 2.054 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](O)C13CCCC3)OCO2 ZINC000293983898 344693059 /nfs/dbraw/zinc/69/30/59/344693059.db2.gz RNUBQNIZACHVMZ-HNNXBMFYSA-N 0 3 291.347 2.000 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](O)C13CCCC3)OCO2 ZINC000293983898 344693060 /nfs/dbraw/zinc/69/30/60/344693060.db2.gz RNUBQNIZACHVMZ-HNNXBMFYSA-N 0 3 291.347 2.000 20 10 CECDHN COc1cccc(CN2CCN(CC(C)C)CC2)c1O ZINC000112642514 364824292 /nfs/dbraw/zinc/82/42/92/364824292.db2.gz HYKIQBBAYGANCN-UHFFFAOYSA-N 0 3 278.396 2.174 20 10 CECDHN COC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180198864 368371107 /nfs/dbraw/zinc/37/11/07/368371107.db2.gz SCYIPJXREOGVIC-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180198864 368371112 /nfs/dbraw/zinc/37/11/12/368371112.db2.gz SCYIPJXREOGVIC-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000179678577 368347440 /nfs/dbraw/zinc/34/74/40/368347440.db2.gz FCFUJQOEELAOAZ-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1 ZINC000179678577 368347447 /nfs/dbraw/zinc/34/74/47/368347447.db2.gz FCFUJQOEELAOAZ-LBPRGKRZSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1cc(Cl)cc(C[NH+]2CCC(CC(N)=O)CC2)c1[O-] ZINC000179720348 368348987 /nfs/dbraw/zinc/34/89/87/368348987.db2.gz SFRKHKLCEWFKIK-UHFFFAOYSA-N 0 3 296.798 2.441 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000179749711 368350524 /nfs/dbraw/zinc/35/05/24/368350524.db2.gz HLNDBLJIVRGLST-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000179749711 368350528 /nfs/dbraw/zinc/35/05/28/368350528.db2.gz HLNDBLJIVRGLST-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(O)c(CN2CCC[C@H](OC)C2)c1 ZINC000179749711 368350533 /nfs/dbraw/zinc/35/05/33/368350533.db2.gz HLNDBLJIVRGLST-ZDUSSCGKSA-N 0 3 251.326 2.012 20 10 CECDHN COCC1=CCN(Cc2cc(OC)ccc2O)CC1 ZINC000187623088 369190153 /nfs/dbraw/zinc/19/01/53/369190153.db2.gz VLTOLOADGXSGNI-UHFFFAOYSA-N 0 3 263.337 2.179 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2cc(OC)ccc2O)C[C@H]1C ZINC000188112019 369298483 /nfs/dbraw/zinc/29/84/83/369298483.db2.gz BYWHPQACUYIVIU-RISCZKNCSA-N 0 3 293.363 2.032 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000230659287 370461650 /nfs/dbraw/zinc/46/16/50/370461650.db2.gz WCEKCVVKFCVIPT-KWQFWETISA-N 0 3 263.259 2.274 20 10 CECDHN CO[C@@H](C)[C@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000268877904 372267334 /nfs/dbraw/zinc/26/73/34/372267334.db2.gz QVFCRPANTAPWFV-STQMWFEESA-N 0 3 296.386 2.175 20 10 CECDHN CCN(C)C(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000188502405 284323944 /nfs/dbraw/zinc/32/39/44/284323944.db2.gz BRYGQEDPEXJTRT-STQMWFEESA-N 0 3 277.412 2.270 20 10 CECDHN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271464227 373192956 /nfs/dbraw/zinc/19/29/56/373192956.db2.gz GNCIECKXRJVTSX-JSGCOSHPSA-N 0 3 293.363 2.414 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(C)o2)c1 ZINC000271798459 373200361 /nfs/dbraw/zinc/20/03/61/373200361.db2.gz IJUXMQDYVFKPQH-AWEZNQCLSA-N 0 3 277.320 2.125 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000272488695 373510641 /nfs/dbraw/zinc/51/06/41/373510641.db2.gz UFWVRASPCQNIPZ-UONOGXRCSA-N 0 3 264.344 2.248 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC[C@H](COC)OC)cc1 ZINC000272642456 373597408 /nfs/dbraw/zinc/59/74/08/373597408.db2.gz CXSHJFBFPAHGRT-CZUORRHYSA-N 0 3 280.412 2.455 20 10 CECDHN CC[C@@H]1CN(Cc2cccc(C)c2O)C[C@@]2(CCOC2)O1 ZINC000370210473 373606953 /nfs/dbraw/zinc/60/69/53/373606953.db2.gz QEFFUGOZUBLGDK-NVXWUHKLSA-N 0 3 291.391 2.471 20 10 CECDHN CC(=O)NC1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000272800432 373661326 /nfs/dbraw/zinc/66/13/26/373661326.db2.gz BHHFFJHWAGEBRD-XGNXJENSSA-N 0 3 276.380 2.490 20 10 CECDHN COC[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])OC ZINC000272825612 373669087 /nfs/dbraw/zinc/66/90/87/373669087.db2.gz HBCGTMPOFVSXBT-GFCCVEGCSA-N 0 3 273.760 2.105 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000273069846 373744517 /nfs/dbraw/zinc/74/45/17/373744517.db2.gz GWJINWCYBFBCAB-INIZCTEOSA-N 0 3 271.360 2.476 20 10 CECDHN C[C@H]1C[C@@H](CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000273076500 373746655 /nfs/dbraw/zinc/74/66/55/373746655.db2.gz PPSPDNFXPXACHD-RYUDHWBXSA-N 0 3 293.363 2.416 20 10 CECDHN CCNC(=O)[C@H](C)N[C@@H](C)c1ccc(C)c(C)c1O ZINC000273414879 373754871 /nfs/dbraw/zinc/75/48/71/373754871.db2.gz QPWVFEVMCXYDGC-RYUDHWBXSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1ccc([C@H](C)NCC(=O)NC(C)C)c(O)c1C ZINC000273402681 373755767 /nfs/dbraw/zinc/75/57/67/373755767.db2.gz NRAIYCOIFJWSTP-LBPRGKRZSA-N 0 3 264.369 2.184 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)c([O-])c1C ZINC000273549029 373762517 /nfs/dbraw/zinc/76/25/17/373762517.db2.gz FOFRBQRRQREMBV-YPMHNXCESA-N 0 3 274.368 2.340 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)c([O-])c1C ZINC000273549013 373762811 /nfs/dbraw/zinc/76/28/11/373762811.db2.gz FOFRBQRRQREMBV-AAEUAGOBSA-N 0 3 274.368 2.340 20 10 CECDHN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000374905841 374636248 /nfs/dbraw/zinc/63/62/48/374636248.db2.gz ADMWPUPASAYDEH-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000374905841 374636253 /nfs/dbraw/zinc/63/62/53/374636253.db2.gz ADMWPUPASAYDEH-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CO)CCOC)c1ccc(C)cc1[O-] ZINC000281764882 375395417 /nfs/dbraw/zinc/39/54/17/375395417.db2.gz WOSIHVKHGAQDNI-TZMCWYRMSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000281203103 375362714 /nfs/dbraw/zinc/36/27/14/375362714.db2.gz SEMTYNCSGDGFAQ-GFCCVEGCSA-N 0 3 283.393 2.010 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(=O)NCC(F)F)c([O-])c1 ZINC000285418674 375837822 /nfs/dbraw/zinc/83/78/22/375837822.db2.gz YCDORDXBTHSEAE-SNVBAGLBSA-N 0 3 286.322 2.041 20 10 CECDHN Cc1cc(C)c([C@@H](C)NCC(=O)NCC(F)F)c(O)c1 ZINC000285418674 375837829 /nfs/dbraw/zinc/83/78/29/375837829.db2.gz YCDORDXBTHSEAE-SNVBAGLBSA-N 0 3 286.322 2.041 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CN(C)C ZINC000288153083 376372827 /nfs/dbraw/zinc/37/28/27/376372827.db2.gz ZNJXNLMGTSRXLG-ZDUSSCGKSA-N 0 3 293.411 2.264 20 10 CECDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C[C@@H](C)OC ZINC000291083598 377064044 /nfs/dbraw/zinc/06/40/44/377064044.db2.gz OAEABHLBBXYZDW-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C[C@@H](C)OC ZINC000291083598 377064052 /nfs/dbraw/zinc/06/40/52/377064052.db2.gz OAEABHLBBXYZDW-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000291481175 377196494 /nfs/dbraw/zinc/19/64/94/377196494.db2.gz FUCXFRDTLRVTRV-LLVKDONJSA-N 0 3 254.349 2.350 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000293646158 377675290 /nfs/dbraw/zinc/67/52/90/377675290.db2.gz HOCZWHVAJHKCEB-ZDUSSCGKSA-N 0 3 288.395 2.421 20 10 CECDHN Cc1cc(CN(C)CCNC(=O)C(C)C)ccc1N(C)C ZINC000293824011 377774397 /nfs/dbraw/zinc/77/43/97/377774397.db2.gz PGEURCXWROUFQY-UHFFFAOYSA-N 0 3 291.439 2.265 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2n[nH]c(C(C)C)n2)c1 ZINC000294902380 378028359 /nfs/dbraw/zinc/02/83/59/378028359.db2.gz XHFXJVLTIIRMCI-SNVBAGLBSA-N 0 3 290.367 2.493 20 10 CECDHN Cc1cccc(CNCc2n[nH]c(C(C)C)n2)c1O ZINC000294907600 378028428 /nfs/dbraw/zinc/02/84/28/378028428.db2.gz XWDQOOLBWKSFOP-UHFFFAOYSA-N 0 3 260.341 2.232 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000295206322 378049960 /nfs/dbraw/zinc/04/99/60/378049960.db2.gz KUXLIZFWXNFXBQ-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1[O-] ZINC000295206322 378049966 /nfs/dbraw/zinc/04/99/66/378049966.db2.gz KUXLIZFWXNFXBQ-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295232215 378062286 /nfs/dbraw/zinc/06/22/86/378062286.db2.gz OBQRHXMBKGMNFV-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1 ZINC000295232215 378062292 /nfs/dbraw/zinc/06/22/92/378062292.db2.gz OBQRHXMBKGMNFV-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295826678 378321016 /nfs/dbraw/zinc/32/10/16/378321016.db2.gz DRWLZKHQSCXZQI-AAEUAGOBSA-N 0 3 276.380 2.274 20 10 CECDHN COC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCCO1 ZINC000296591181 378583981 /nfs/dbraw/zinc/58/39/81/378583981.db2.gz WVTQBFHEPPNXDO-IPYPFGDCSA-N 0 3 277.364 2.163 20 10 CECDHN Cc1cccc(C[NH2+]Cc2cccc(CO)c2)c1[O-] ZINC000224794201 394467657 /nfs/dbraw/zinc/46/76/57/394467657.db2.gz SSEMGJXMPAIZRL-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN COCCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227442532 394472195 /nfs/dbraw/zinc/47/21/95/394472195.db2.gz OIPOHVSXFRNPBF-UHFFFAOYSA-N 0 3 267.325 2.027 20 10 CECDHN CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccccc1[O-] ZINC000274953373 394802742 /nfs/dbraw/zinc/80/27/42/394802742.db2.gz VNHPMWKTBYBQPC-CYBMUJFWSA-N 0 3 276.380 2.479 20 10 CECDHN CCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122010321 394807476 /nfs/dbraw/zinc/80/74/76/394807476.db2.gz JHHDRFITRMAHNP-UHFFFAOYSA-N 0 3 252.333 2.366 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1OC ZINC000362240327 394849587 /nfs/dbraw/zinc/84/95/87/394849587.db2.gz VEDDMMDRWNNPNZ-LRDDRELGSA-N 0 3 293.363 2.067 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951715 395050412 /nfs/dbraw/zinc/05/04/12/395050412.db2.gz JXDOCOGCWSJSHU-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cc(C)ccc1[O-])C2 ZINC000372951715 395050417 /nfs/dbraw/zinc/05/04/17/395050417.db2.gz JXDOCOGCWSJSHU-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN COc1cccc(C[NH+]2CCC3(CCO3)CC2)c1[O-] ZINC000374335115 395080974 /nfs/dbraw/zinc/08/09/74/395080974.db2.gz WZSRTPHPOPXKLP-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000372359316 395040471 /nfs/dbraw/zinc/04/04/71/395040471.db2.gz UUWIZSGERRNLGO-MRXNPFEDSA-N 0 3 274.408 2.490 20 10 CECDHN C[C@H]1CSCCN1Cc1cc2c(cc1O)OCO2 ZINC000172515453 395103732 /nfs/dbraw/zinc/10/37/32/395103732.db2.gz CNDKJTAEYWKIIA-VIFPVBQESA-N 0 3 267.350 2.058 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)c1 ZINC000182392020 395240208 /nfs/dbraw/zinc/24/02/08/395240208.db2.gz PUCSOOFZWJBXFE-OCCSQVGLSA-N 0 3 295.379 2.247 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1OC ZINC000293828757 395252403 /nfs/dbraw/zinc/25/24/03/395252403.db2.gz AMQGYGXFXQGBIQ-MEDUHNTESA-N 0 3 295.379 2.050 20 10 CECDHN Cc1cccc(C[NH2+][C@]2(CO)COc3ccccc3C2)c1[O-] ZINC000529643059 395425730 /nfs/dbraw/zinc/42/57/30/395425730.db2.gz IELASHPAZPAFAU-GOSISDBHSA-N 0 3 299.370 2.156 20 10 CECDHN CC[C@@H]([NH2+]CCCOCCOC)c1ccccc1[O-] ZINC000020192371 171058537 /nfs/dbraw/zinc/05/85/37/171058537.db2.gz PZDDMXUSVFGUHW-CQSZACIVSA-N 0 3 267.369 2.486 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](CC(C)C)N(C)C)c1 ZINC000020201879 171065945 /nfs/dbraw/zinc/06/59/45/171065945.db2.gz QNGZOFBMNMRIQQ-AWEZNQCLSA-N 0 3 280.412 2.467 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccccc2)c1 ZINC000035601136 172289915 /nfs/dbraw/zinc/28/99/15/172289915.db2.gz AUAJZHVJQISIPW-MRXNPFEDSA-N 0 3 273.332 2.224 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCN(C)CC1)c1ccccc1[O-] ZINC000155739954 261106907 /nfs/dbraw/zinc/10/69/07/261106907.db2.gz JECCOCMWKMKBRY-GOEBONIOSA-N 0 3 291.439 2.069 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)CCCOC)c1ccccc1[O-] ZINC000156028210 261111669 /nfs/dbraw/zinc/11/16/69/261111669.db2.gz SCXUKGYPGNIPQC-OAHLLOKOSA-N 0 3 280.412 2.401 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@](C)(O)CCOC)c([O-])c1 ZINC000172069795 261491866 /nfs/dbraw/zinc/49/18/66/261491866.db2.gz CCVCRQZOBXLZOX-INIZCTEOSA-N 0 3 297.395 2.058 20 10 CECDHN CCC(CC)(CO)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000182209179 261929707 /nfs/dbraw/zinc/92/97/07/261929707.db2.gz OELMHEPRLMELSD-UHFFFAOYSA-N 0 3 283.368 2.050 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185512185 262057638 /nfs/dbraw/zinc/05/76/38/262057638.db2.gz RZFVVKSISSIFOP-VYUIOLGVSA-N 0 3 273.373 2.294 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185512220 262057985 /nfs/dbraw/zinc/05/79/85/262057985.db2.gz RZFVVKSISSIFOP-JRKPZEMJSA-N 0 3 273.373 2.294 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185511802 262058150 /nfs/dbraw/zinc/05/81/50/262058150.db2.gz PLIVAYKIDZMTGZ-JTNHKYCSSA-N 0 3 269.410 2.464 20 10 CECDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000186110871 262079822 /nfs/dbraw/zinc/07/98/22/262079822.db2.gz AIWLSAUPPXWWLJ-OLZOCXBDSA-N 0 3 291.395 2.155 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+]CCO)c1[O-] ZINC000186939291 262330826 /nfs/dbraw/zinc/33/08/26/262330826.db2.gz GCFIKCKHFABFBD-QMMMGPOBSA-N 0 3 274.158 2.106 20 10 CECDHN CN(C)c1ccc(CN[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000283833582 263084451 /nfs/dbraw/zinc/08/44/51/263084451.db2.gz FHNMSPNXJBXHKB-GOEBONIOSA-N 0 3 294.439 2.000 20 10 CECDHN C[C@]1(CCCO)CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290447301 263116943 /nfs/dbraw/zinc/11/69/43/263116943.db2.gz MDLVDIYCGNXUMM-MRXNPFEDSA-N 0 3 293.363 2.248 20 10 CECDHN C[C@]1(CCCO)CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000290447301 263116944 /nfs/dbraw/zinc/11/69/44/263116944.db2.gz MDLVDIYCGNXUMM-MRXNPFEDSA-N 0 3 293.363 2.248 20 10 CECDHN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599282 263117671 /nfs/dbraw/zinc/11/76/71/263117671.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 0 3 266.360 2.303 20 10 CECDHN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599282 263117672 /nfs/dbraw/zinc/11/76/72/263117672.db2.gz VUXCMXPXPHQSAF-RISCZKNCSA-N 0 3 266.360 2.303 20 10 CECDHN NC(=O)CC1C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000297335037 263203616 /nfs/dbraw/zinc/20/36/16/263203616.db2.gz FFLJUKQQGVMPLZ-UHFFFAOYSA-N 0 3 296.370 2.366 20 10 CECDHN CN(C)c1ccc(CN[C@@H]2COc3ccccc3[C@@H]2O)cc1 ZINC000288644677 273821507 /nfs/dbraw/zinc/82/15/07/273821507.db2.gz UQTXRLBTSWFMGR-AEFFLSMTSA-N 0 3 298.386 2.337 20 10 CECDHN CC1(C)CN(CC[NH2+][C@@H]2CCc3cccc([O-])c32)CCO1 ZINC000297640433 275845701 /nfs/dbraw/zinc/84/57/01/275845701.db2.gz JSVQYTSHQIKCLB-CQSZACIVSA-N 0 3 290.407 2.080 20 10 CECDHN CCOc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000527765032 313200262 /nfs/dbraw/zinc/20/02/62/313200262.db2.gz IDQHSGPWNDGDKU-BLLLJJGKSA-N 0 3 277.364 2.448 20 10 CECDHN COc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000527766948 313200816 /nfs/dbraw/zinc/20/08/16/313200816.db2.gz RKIBGKPQIXEXGH-XHDPSFHLSA-N 0 3 263.337 2.058 20 10 CECDHN CC[C@@H]([NH2+]CCc1nc(C)n[nH]1)c1ccccc1[O-] ZINC000274764013 328009613 /nfs/dbraw/zinc/00/96/13/328009613.db2.gz KSIRREFDLZFFON-GFCCVEGCSA-N 0 3 260.341 2.102 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@H](C)c2cc(F)ccc2[O-])CCC1 ZINC000277204533 328220737 /nfs/dbraw/zinc/22/07/37/328220737.db2.gz JTRSKTNFPOMGBI-LLVKDONJSA-N 0 3 294.370 2.488 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279741581 328233370 /nfs/dbraw/zinc/23/33/70/328233370.db2.gz XJGXBKJVVDGESG-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279741581 328233372 /nfs/dbraw/zinc/23/33/72/328233372.db2.gz XJGXBKJVVDGESG-HNNXBMFYSA-N 0 3 265.353 2.138 20 10 CECDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000290104582 328257971 /nfs/dbraw/zinc/25/79/71/328257971.db2.gz IFDXOJKMGPXKFG-UBHSHLNASA-N 0 3 265.353 2.073 20 10 CECDHN CO[C@H]1COC[C@@H]1N[C@@H](C)c1ccc(C)c(C)c1O ZINC000290104582 328257972 /nfs/dbraw/zinc/25/79/72/328257972.db2.gz IFDXOJKMGPXKFG-UBHSHLNASA-N 0 3 265.353 2.073 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1[O-] ZINC000377798502 329030063 /nfs/dbraw/zinc/03/00/63/329030063.db2.gz IZXNWXZAUMYTES-ONGXEEELSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1[O-] ZINC000377798502 329030064 /nfs/dbraw/zinc/03/00/64/329030064.db2.gz IZXNWXZAUMYTES-ONGXEEELSA-N 0 3 275.327 2.463 20 10 CECDHN Cc1cccc(CN2CC[C@H](NC(=O)C3CCC3)C2)c1O ZINC000378439955 329050443 /nfs/dbraw/zinc/05/04/43/329050443.db2.gz XLFJVYJTBBWIKA-HNNXBMFYSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378439955 329050444 /nfs/dbraw/zinc/05/04/44/329050444.db2.gz XLFJVYJTBBWIKA-HNNXBMFYSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378439955 329050446 /nfs/dbraw/zinc/05/04/46/329050446.db2.gz XLFJVYJTBBWIKA-HNNXBMFYSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000378457127 329051569 /nfs/dbraw/zinc/05/15/69/329051569.db2.gz PXTJKSGYCJWIDK-OAHLLOKOSA-N 0 3 298.390 2.249 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000179580754 329209629 /nfs/dbraw/zinc/20/96/29/329209629.db2.gz WEGFSSRBKANTDO-HNNXBMFYSA-N 0 3 270.332 2.441 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000179580754 329209631 /nfs/dbraw/zinc/20/96/31/329209631.db2.gz WEGFSSRBKANTDO-HNNXBMFYSA-N 0 3 270.332 2.441 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1ccccc1[O-] ZINC000359990934 329644713 /nfs/dbraw/zinc/64/47/13/329644713.db2.gz CSRKREDUKSDROC-GFQSEFKGSA-N 0 3 274.364 2.052 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@]2(C)OCC)c1 ZINC000527783331 330283127 /nfs/dbraw/zinc/28/31/27/330283127.db2.gz IYUCPAANLMNCEG-CABCVRRESA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H]2C[C@]2(C)OCC)c1 ZINC000527783331 330283128 /nfs/dbraw/zinc/28/31/28/330283128.db2.gz IYUCPAANLMNCEG-CABCVRRESA-N 0 3 265.353 2.448 20 10 CECDHN CCn1nncc1CN[C@H](C)c1ccc(C)cc1O ZINC000527920310 330295581 /nfs/dbraw/zinc/29/55/81/330295581.db2.gz NVYZSBNIMSNNCN-LLVKDONJSA-N 0 3 260.341 2.163 20 10 CECDHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000230694810 333320993 /nfs/dbraw/zinc/32/09/93/333320993.db2.gz YGBHYAOVQLVSHM-SECBINFHSA-N 0 3 292.360 2.471 20 10 CECDHN Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3[O-])cc12 ZINC000134232285 334085168 /nfs/dbraw/zinc/08/51/68/334085168.db2.gz YMTNVVTWTIEHHQ-UHFFFAOYSA-N 0 3 282.347 2.272 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000252806386 334393789 /nfs/dbraw/zinc/39/37/89/334393789.db2.gz HBFOFZVAXVUPNA-SRVKXCTJSA-N 0 3 265.353 2.476 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000289623753 521140775 /nfs/dbraw/zinc/14/07/75/521140775.db2.gz LRJKHHWRWUKXRU-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)OC)c1 ZINC000289623753 521140785 /nfs/dbraw/zinc/14/07/85/521140785.db2.gz LRJKHHWRWUKXRU-LLVKDONJSA-N 0 3 253.342 2.258 20 10 CECDHN CCN(C)C(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000188502453 520215504 /nfs/dbraw/zinc/21/55/04/520215504.db2.gz BRYGQEDPEXJTRT-OLZOCXBDSA-N 0 3 277.412 2.270 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000280568728 520352501 /nfs/dbraw/zinc/35/25/01/520352501.db2.gz VPZBNBPMFBVCJH-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000280568728 520352504 /nfs/dbraw/zinc/35/25/04/520352504.db2.gz VPZBNBPMFBVCJH-HNNXBMFYSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000289958278 521155240 /nfs/dbraw/zinc/15/52/40/521155240.db2.gz YBMFPSXVZZIUKS-MNOVXSKESA-N 0 3 253.342 2.304 20 10 CECDHN CCC(CC)(CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000053047391 521458754 /nfs/dbraw/zinc/45/87/54/521458754.db2.gz FCQSNNGPGNYEIA-UHFFFAOYSA-N 0 3 253.342 2.042 20 10 CECDHN CCNC(=O)[C@@H](NCc1cccc(OCC)c1O)C(C)C ZINC000293013848 521744413 /nfs/dbraw/zinc/74/44/13/521744413.db2.gz PYEHTXSOPRFXOS-AWEZNQCLSA-N 0 3 294.395 2.041 20 10 CECDHN CN(C)c1ccc(CN2CCC(CO)CC2)cc1F ZINC000127062661 522175257 /nfs/dbraw/zinc/17/52/57/522175257.db2.gz KKNLIXAZTZBYMB-UHFFFAOYSA-N 0 3 266.360 2.096 20 10 CECDHN CC[C@H]([NH2+]CCOCCOC)c1ccc(C)cc1[O-] ZINC000279954602 522596986 /nfs/dbraw/zinc/59/69/86/522596986.db2.gz BYWHVLDKRSAGFK-AWEZNQCLSA-N 0 3 267.369 2.404 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000280239239 522612821 /nfs/dbraw/zinc/61/28/21/522612821.db2.gz VWYHDBWPDXSFIW-GOEBONIOSA-N 0 3 289.379 2.208 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000280852070 522773205 /nfs/dbraw/zinc/77/32/05/522773205.db2.gz LJSZYRCISABUSM-UHFFFAOYSA-N 0 3 251.326 2.071 20 10 CECDHN COC(=O)CC1([NH2+]Cc2cc(OC)ccc2[O-])CCCC1 ZINC000279648917 522933201 /nfs/dbraw/zinc/93/32/01/522933201.db2.gz KEXPDUSXKYDMAL-UHFFFAOYSA-N 0 3 293.363 2.366 20 10 CECDHN CC[C@H]1CCN1Cc1cc(OC)c(OC)cc1O ZINC000292155200 523175386 /nfs/dbraw/zinc/17/53/86/523175386.db2.gz VPKIDGULKCVNJS-NSHDSACASA-N 0 3 251.326 2.394 20 10 CECDHN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000087013362 523510311 /nfs/dbraw/zinc/51/03/11/523510311.db2.gz VHUVSCCVBZKAMQ-HZMBPMFUSA-N 0 3 253.342 2.212 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000290062635 524080178 /nfs/dbraw/zinc/08/01/78/524080178.db2.gz FIBLQRZQKHLQJU-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000290062635 524080179 /nfs/dbraw/zinc/08/01/79/524080179.db2.gz FIBLQRZQKHLQJU-AWEZNQCLSA-N 0 3 292.379 2.411 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291192793 524402240 /nfs/dbraw/zinc/40/22/40/524402240.db2.gz GUUSFKLOIHIOBM-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000291192793 524402248 /nfs/dbraw/zinc/40/22/48/524402248.db2.gz GUUSFKLOIHIOBM-CQSZACIVSA-N 0 3 257.337 2.344 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CCc2scnc2C)c1 ZINC000295104201 524753976 /nfs/dbraw/zinc/75/39/76/524753976.db2.gz VHMONJGKCGLSOQ-UHFFFAOYSA-N 0 3 278.377 2.498 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191655611 524771564 /nfs/dbraw/zinc/77/15/64/524771564.db2.gz DEIUVXCYWVSRCT-GARJFASQSA-N 0 3 253.342 2.475 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000279709360 525341738 /nfs/dbraw/zinc/34/17/38/525341738.db2.gz SHXYKRFMWVMQMO-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN COc1cccc(CNCc2c(C)n[nH]c2C)c1O ZINC000263793033 526022599 /nfs/dbraw/zinc/02/25/99/526022599.db2.gz NXNVBPUMDGDOAF-UHFFFAOYSA-N 0 3 261.325 2.031 20 10 CECDHN COc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000285655827 526022768 /nfs/dbraw/zinc/02/27/68/526022768.db2.gz YRKHMGYFWPYWDV-NWDGAFQWSA-N 0 3 265.353 2.163 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C1CC(F)(F)C1)OCO2 ZINC000277763398 526336987 /nfs/dbraw/zinc/33/69/87/526336987.db2.gz XKHBWQPRKQKXRA-UHFFFAOYSA-N 0 3 257.236 2.008 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289685247 527596377 /nfs/dbraw/zinc/59/63/77/527596377.db2.gz OCCXOPSSMVIIRD-NWDGAFQWSA-N 0 3 289.297 2.385 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000289685247 527596383 /nfs/dbraw/zinc/59/63/83/527596383.db2.gz OCCXOPSSMVIIRD-NWDGAFQWSA-N 0 3 289.297 2.385 20 10 CECDHN Cc1nn(C)cc1CNCc1ccc2c(c1)CCCN2C ZINC000157705565 527692980 /nfs/dbraw/zinc/69/29/80/527692980.db2.gz LVKIMOBRFAJLHJ-UHFFFAOYSA-N 0 3 284.407 2.401 20 10 CECDHN CNC(=O)CC[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000738430898 574451393 /nfs/dbraw/zinc/45/13/93/574451393.db2.gz SSFZBCVUODHIQR-UHFFFAOYSA-N 0 3 284.359 2.285 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@](C)(O)C(C)C)c([O-])c1 ZINC000732818106 574632490 /nfs/dbraw/zinc/63/24/90/574632490.db2.gz VIZLGPXYHGENSH-HNNXBMFYSA-N 0 3 267.369 2.288 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)C(C)(C)O)c([O-])c1 ZINC000734841574 574731599 /nfs/dbraw/zinc/73/15/99/574731599.db2.gz UFHZSOZJEREIDK-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](N3CC=CC3)C1)CCC2 ZINC000742161933 575008158 /nfs/dbraw/zinc/00/81/58/575008158.db2.gz APTZBBWBFDIZIV-KRWDZBQOSA-N 0 3 284.403 2.327 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](N3CC=CC3)C1)CCC2 ZINC000742161933 575008160 /nfs/dbraw/zinc/00/81/60/575008160.db2.gz APTZBBWBFDIZIV-KRWDZBQOSA-N 0 3 284.403 2.327 20 10 CECDHN CC[NH+](CC)C[C@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743758413 575109335 /nfs/dbraw/zinc/10/93/35/575109335.db2.gz DHHDURDLUHPSIA-LLVKDONJSA-N 0 3 282.409 2.258 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)c1[O-] ZINC000746755676 575163732 /nfs/dbraw/zinc/16/37/32/575163732.db2.gz REMPLMHPTKGMGU-OLZOCXBDSA-N 0 3 265.353 2.448 20 10 CECDHN C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000749544853 575224933 /nfs/dbraw/zinc/22/49/33/575224933.db2.gz QBUGMXGGHXGXOT-VHSXEESVSA-N 0 3 268.382 2.056 20 10 CECDHN C[C@H](CCNC(=O)c1cc([O-])cs1)[NH+]1CCCCC1 ZINC000753520003 575328812 /nfs/dbraw/zinc/32/88/12/575328812.db2.gz DOLHUFHSVKJBLU-LLVKDONJSA-N 0 3 282.409 2.448 20 10 CECDHN CN(CC(C)(C)C[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000890881485 623037575 /nfs/dbraw/zinc/03/75/75/623037575.db2.gz WKKVGTGVGCWRNX-UHFFFAOYSA-N 0 3 270.398 2.114 20 10 CECDHN CCNC(=O)C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000725842006 625618034 /nfs/dbraw/zinc/61/80/34/625618034.db2.gz VXWXIOMSSPFSQU-UHFFFAOYSA-N 0 3 284.359 2.285 20 10 CECDHN CN(C)c1ccc([C@H](CNC(=O)CCCF)N(C)C)cc1 ZINC000891245729 623321440 /nfs/dbraw/zinc/32/14/40/623321440.db2.gz IDPBBTDASALZKB-HNNXBMFYSA-N 0 3 295.402 2.221 20 10 CECDHN Cc1cc(CN2CCC[C@@H]2C2OCCO2)ccc1N(C)C ZINC000933899661 624076558 /nfs/dbraw/zinc/07/65/58/624076558.db2.gz FLRXOURFKLAHHF-MRXNPFEDSA-N 0 3 290.407 2.398 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCCCNC1=O ZINC000840912915 628458664 /nfs/dbraw/zinc/45/86/64/628458664.db2.gz PABHPPZDMVUFPK-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN COc1cc(C)cc(CN2CCSC[C@@H]2CCO)c1O ZINC000894089923 629119741 /nfs/dbraw/zinc/11/97/41/629119741.db2.gz XZDJDRJOQKHKJF-ZDUSSCGKSA-N 0 3 297.420 2.009 20 10 CECDHN c1nc(CNCc2ccc(N3CCSCC3)cc2)c[nH]1 ZINC000894191283 629200957 /nfs/dbraw/zinc/20/09/57/629200957.db2.gz HZJOGZYASNSMDN-UHFFFAOYSA-N 0 3 288.420 2.253 20 10 CECDHN c1ncc(CNCc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000894191283 629200959 /nfs/dbraw/zinc/20/09/59/629200959.db2.gz HZJOGZYASNSMDN-UHFFFAOYSA-N 0 3 288.420 2.253 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCO[C@@]3(CCCOC3)C2)c1 ZINC000795640022 629640073 /nfs/dbraw/zinc/64/00/73/629640073.db2.gz UMCXPQCCQJOJHE-KRWDZBQOSA-N 0 3 291.391 2.390 20 10 CECDHN COCCCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000894964602 629771295 /nfs/dbraw/zinc/77/12/95/629771295.db2.gz SJRJQZYELBMUGF-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN COCCCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000894964602 629771299 /nfs/dbraw/zinc/77/12/99/629771299.db2.gz SJRJQZYELBMUGF-UHFFFAOYSA-N 0 3 283.368 2.268 20 10 CECDHN COCC1(C)CN(Cc2cc(C)cc(OC)c2O)C1 ZINC000894980450 629781275 /nfs/dbraw/zinc/78/12/75/629781275.db2.gz PSJMTGXJNSIEOQ-UHFFFAOYSA-N 0 3 265.353 2.178 20 10 CECDHN COc1ccc(CN2CCC(F)CC2)c(O)c1OC ZINC000896000691 630431185 /nfs/dbraw/zinc/43/11/85/630431185.db2.gz XZSOCQZHUFGHCP-UHFFFAOYSA-N 0 3 269.316 2.343 20 10 CECDHN CO[C@]12CCC[C@@]1([NH2+]Cc1ccc(C)cc1[O-])CCO2 ZINC000896411724 630557314 /nfs/dbraw/zinc/55/73/14/630557314.db2.gz SKXFENHUIXAVHV-CVEARBPZSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000896958672 630845393 /nfs/dbraw/zinc/84/53/93/630845393.db2.gz MEAAEKKJHFDMET-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000896958672 630845395 /nfs/dbraw/zinc/84/53/95/630845395.db2.gz MEAAEKKJHFDMET-LBPRGKRZSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000897012133 630873581 /nfs/dbraw/zinc/87/35/81/630873581.db2.gz QMFRJIYQHKGRSC-UHFFFAOYSA-N 0 3 290.363 2.165 20 10 CECDHN CC[C@H](C(=O)NCc1c([O-])cccc1F)[NH+](CC)CC ZINC000928706590 631129145 /nfs/dbraw/zinc/12/91/45/631129145.db2.gz YEEMALGTDVBTAU-CYBMUJFWSA-N 0 3 282.359 2.268 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(C)cc1[O-] ZINC000800498477 631131169 /nfs/dbraw/zinc/13/11/69/631131169.db2.gz LCIVVKOZGWIATI-DGCLKSJQSA-N 0 3 282.359 2.216 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841744519 631567966 /nfs/dbraw/zinc/56/79/66/631567966.db2.gz IHVAKDHUHVLCOP-WCQYABFASA-N 0 3 298.814 2.153 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000808686924 632000934 /nfs/dbraw/zinc/00/09/34/632000934.db2.gz OZGBWRHNJKNMMV-CABZTGNLSA-N 0 3 282.771 2.283 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000808689171 632001266 /nfs/dbraw/zinc/00/12/66/632001266.db2.gz ZLTFJSLXCLUFBV-MWLCHTKSSA-N 0 3 282.771 2.235 20 10 CECDHN COc1cccc([O-])c1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898172728 632081415 /nfs/dbraw/zinc/08/14/15/632081415.db2.gz WUWGOEGDDVKVIM-UHFFFAOYSA-N 0 3 287.359 2.225 20 10 CECDHN COc1cccc(C[NH2+]Cc2c([O-])cccc2OC)c1O ZINC000809740156 632135750 /nfs/dbraw/zinc/13/57/50/632135750.db2.gz NFDNCRRHIQYJMQ-UHFFFAOYSA-N 0 3 289.331 2.405 20 10 CECDHN CC[C@@H]1C(=O)NCCCN1Cc1cc(C)c(C)cc1O ZINC000898545398 632533408 /nfs/dbraw/zinc/53/34/08/632533408.db2.gz JKSLUGQOTFXKKV-CQSZACIVSA-N 0 3 276.380 2.110 20 10 CECDHN O=C1CC[C@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])CCN12 ZINC000816499607 633402095 /nfs/dbraw/zinc/40/20/95/633402095.db2.gz VLFWOEUZQGZOKM-HNNXBMFYSA-N 0 3 296.370 2.352 20 10 CECDHN O=C1CC[C@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])CCN12 ZINC000816499607 633402100 /nfs/dbraw/zinc/40/21/00/633402100.db2.gz VLFWOEUZQGZOKM-HNNXBMFYSA-N 0 3 296.370 2.352 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817945027 633792021 /nfs/dbraw/zinc/79/20/21/633792021.db2.gz RPVJAUBGMIGLKJ-WCBMZHEXSA-N 0 3 285.185 2.167 20 10 CECDHN C[C@H]1C[C@H](NCCc2ccc(N)cc2)c2nccn21 ZINC000817957797 633799370 /nfs/dbraw/zinc/79/93/70/633799370.db2.gz PGFAYDPOPIXJAG-FZMZJTMJSA-N 0 3 256.353 2.303 20 10 CECDHN CCn1ccnc1[C@@H](C)NCCc1ccc(N)cc1 ZINC000817958555 633800805 /nfs/dbraw/zinc/80/08/05/633800805.db2.gz XLOAXQFSIFQJBU-GFCCVEGCSA-N 0 3 258.369 2.379 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000817971901 633816000 /nfs/dbraw/zinc/81/60/00/633816000.db2.gz QZHGFDAELJUULV-JFGNBEQYSA-N 0 3 252.333 2.322 20 10 CECDHN CO[C@@H]1CCOC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000903299190 635046044 /nfs/dbraw/zinc/04/60/44/635046044.db2.gz HIGAPYSIQGGLOT-RFVSLCSESA-N 0 3 295.354 2.473 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCOC13CCOCC3)CC2 ZINC000903391145 635087768 /nfs/dbraw/zinc/08/77/68/635087768.db2.gz WFTOZEYGIMKFIT-HIFRSBDPSA-N 0 3 289.375 2.307 20 10 CECDHN CC(=O)c1cc(F)cc(CN[C@@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000903465156 635151831 /nfs/dbraw/zinc/15/18/31/635151831.db2.gz DXEURCOZZTXWTE-CQSZACIVSA-N 0 3 292.354 2.108 20 10 CECDHN CN(C)c1ccc(CNCc2cc(N)ccn2)cc1 ZINC000903950405 635383351 /nfs/dbraw/zinc/38/33/51/635383351.db2.gz NCIGVEOFXRWKNM-UHFFFAOYSA-N 0 3 256.353 2.020 20 10 CECDHN Oc1ccccc1CN1CCN(c2cccc(F)n2)CC1 ZINC000824811150 635502155 /nfs/dbraw/zinc/50/21/55/635502155.db2.gz XEBOITFCYLFALF-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824846455 635510869 /nfs/dbraw/zinc/51/08/69/635510869.db2.gz SHFFLVDDQXTLDH-YOEHRIQHSA-N 0 3 291.391 2.288 20 10 CECDHN CO[C@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@H]1CCOC1 ZINC000826822258 635854920 /nfs/dbraw/zinc/85/49/20/635854920.db2.gz OKXMCBWLTSOWJQ-SMDDNHRTSA-N 0 3 299.798 2.495 20 10 CECDHN CCN(CC)c1ccc(CN2CCCN(C=O)CC2)cc1 ZINC000827877644 636449957 /nfs/dbraw/zinc/44/99/57/636449957.db2.gz RTEWKYCDZDCEGJ-UHFFFAOYSA-N 0 3 289.423 2.197 20 10 CECDHN CCOc1ccc(O)c(CN2CCCc3n[nH]cc3C2)c1 ZINC000828014101 636486450 /nfs/dbraw/zinc/48/64/50/636486450.db2.gz UIKQKSBXQCVWIT-UHFFFAOYSA-N 0 3 287.363 2.462 20 10 CECDHN Cc1ccc(C[NH+]2CCC(NC(=O)C(C)C)CC2)c([O-])c1 ZINC000876579033 650343434 /nfs/dbraw/zinc/34/34/34/650343434.db2.gz LLJMPOWDAUQJQZ-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)c1ccco1)CC2 ZINC000834502165 637849047 /nfs/dbraw/zinc/84/90/47/637849047.db2.gz NFZGTMGAVHOWCU-YPMHNXCESA-N 0 3 259.305 2.296 20 10 CECDHN CN(C)[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834518680 637851731 /nfs/dbraw/zinc/85/17/31/637851731.db2.gz MGNUFBIWZVKZNR-KBPBESRZSA-N 0 3 260.381 2.309 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834667879 637912704 /nfs/dbraw/zinc/91/27/04/637912704.db2.gz CPLIKRGHCCOIDC-AAEUAGOBSA-N 0 3 265.353 2.021 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1cc(F)ccc1[O-] ZINC000834850761 637971106 /nfs/dbraw/zinc/97/11/06/637971106.db2.gz OYOJBXJYAGGTKU-JSGCOSHPSA-N 0 3 296.386 2.029 20 10 CECDHN CCO[C@@H]1COC[C@H]1N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000834904071 637982448 /nfs/dbraw/zinc/98/24/48/637982448.db2.gz MMYRLDPQKVAIDX-APHBMKBZSA-N 0 3 278.396 2.207 20 10 CECDHN CCNC(=O)C(C)(C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835076609 638049568 /nfs/dbraw/zinc/04/95/68/638049568.db2.gz SNCGDNGMGAGOHR-BQYQJAHWSA-N 0 3 289.423 2.270 20 10 CECDHN Cc1ccc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c([O-])c1 ZINC000876783542 650430148 /nfs/dbraw/zinc/43/01/48/650430148.db2.gz GCPPASHXZKSKJM-INIZCTEOSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000876815276 650443780 /nfs/dbraw/zinc/44/37/80/650443780.db2.gz WGUUSDJZCOCJGD-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)c([O-])c1 ZINC000876815276 650443781 /nfs/dbraw/zinc/44/37/81/650443781.db2.gz WGUUSDJZCOCJGD-AWEZNQCLSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[NH2+]CCOCC(F)(F)F)c([O-])c1 ZINC000876909487 650482759 /nfs/dbraw/zinc/48/27/59/650482759.db2.gz ABLMLXPXSQSXGN-UHFFFAOYSA-N 0 3 263.259 2.369 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840827023 639553305 /nfs/dbraw/zinc/55/33/05/639553305.db2.gz ZHLNGEOQCZQKJO-GMTLJSCSSA-N 0 3 281.327 2.083 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000840826559 639554000 /nfs/dbraw/zinc/55/40/00/639554000.db2.gz OCJPZGZVZCVYSX-TVYUQYBPSA-N 0 3 285.771 2.418 20 10 CECDHN CCC[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612314 639555467 /nfs/dbraw/zinc/55/54/67/639555467.db2.gz UKCCKZYSQLQKRX-NSHDSACASA-N 0 3 255.333 2.420 20 10 CECDHN CC[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccccc1[O-] ZINC000840882670 639570782 /nfs/dbraw/zinc/57/07/82/639570782.db2.gz JPOCTGLWGLZKHG-CYBMUJFWSA-N 0 3 283.393 2.010 20 10 CECDHN CC(C)[C@@H](N)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841030529 639622817 /nfs/dbraw/zinc/62/28/17/639622817.db2.gz MKMCBXPARPOERB-NSHDSACASA-N 0 3 260.740 2.258 20 10 CECDHN CC(C)[C@@H]([NH3+])CNCc1cc(Cl)cc(F)c1[O-] ZINC000841030529 639622819 /nfs/dbraw/zinc/62/28/19/639622819.db2.gz MKMCBXPARPOERB-NSHDSACASA-N 0 3 260.740 2.258 20 10 CECDHN C[C@@H]1C[NH2+]CC[C@H]1NCc1c([O-])ccc(Cl)c1F ZINC000841063241 639638185 /nfs/dbraw/zinc/63/81/85/639638185.db2.gz GUKKFPVJXUEWPP-LDYMZIIASA-N 0 3 272.751 2.272 20 10 CECDHN C[C@H]1C[C@@H](NCc2c([O-])ccc(Cl)c2F)CC[NH2+]1 ZINC000841062128 639638490 /nfs/dbraw/zinc/63/84/90/639638490.db2.gz GIHQKSQVCCJPBI-IUCAKERBSA-N 0 3 272.751 2.415 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000228673124 639651799 /nfs/dbraw/zinc/65/17/99/639651799.db2.gz GKUQZKIPNDULRI-LLVKDONJSA-N 0 3 271.744 2.323 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000877060217 650553379 /nfs/dbraw/zinc/55/33/79/650553379.db2.gz VJKNXPCRBRDSPD-CQSZACIVSA-N 0 3 279.380 2.233 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCNC(=O)C1CCC1 ZINC000877082068 650563577 /nfs/dbraw/zinc/56/35/77/650563577.db2.gz MSPVLFNUOBXMTF-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN CC(=O)c1cc(F)cc(C[NH2+][C@](C)(CN)C(C)C)c1[O-] ZINC000843355932 640401057 /nfs/dbraw/zinc/40/10/57/640401057.db2.gz NBNNAHNEGAVLMJ-OAHLLOKOSA-N 0 3 282.359 2.197 20 10 CECDHN CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CN)C2CC2)c1[O-] ZINC000843355959 640401687 /nfs/dbraw/zinc/40/16/87/640401687.db2.gz OJSMMLYKAOGSQE-HNNXBMFYSA-N 0 3 296.798 2.465 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000914432986 640403485 /nfs/dbraw/zinc/40/34/85/640403485.db2.gz IQGDKLYPLQRFKE-LSDHHAIUSA-N 0 3 277.364 2.306 20 10 CECDHN CC[C@@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486040 640440220 /nfs/dbraw/zinc/44/02/20/640440220.db2.gz OZORYBCGPACTDT-OAHLLOKOSA-N 0 3 277.412 2.227 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2ccc(CO)o2)c1 ZINC000845972380 641142242 /nfs/dbraw/zinc/14/22/42/641142242.db2.gz NTWDPSDXQZHOAM-SNVBAGLBSA-N 0 3 277.320 2.337 20 10 CECDHN COc1cccc([C@H](C)NCc2cnn(C)c2C)c1O ZINC000846158297 641207266 /nfs/dbraw/zinc/20/72/66/641207266.db2.gz WMFVRTYWIKRQKI-JTQLQIEISA-N 0 3 275.352 2.294 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC[C@@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000846191232 641217747 /nfs/dbraw/zinc/21/77/47/641217747.db2.gz AZCXFLXMQZNNOY-RSAASHCRSA-N 0 3 295.354 2.211 20 10 CECDHN C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(F)ccc1[O-] ZINC000846214136 641226003 /nfs/dbraw/zinc/22/60/03/641226003.db2.gz SKEUTHVDMOFDAV-XHDPSFHLSA-N 0 3 283.343 2.114 20 10 CECDHN CC(C)N(C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472022 641310043 /nfs/dbraw/zinc/31/00/43/641310043.db2.gz FDVBHBILLSENEY-UHFFFAOYSA-N 0 3 270.760 2.002 20 10 CECDHN COC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCOCC1 ZINC000183624789 641772059 /nfs/dbraw/zinc/77/20/59/641772059.db2.gz ZXZNGKVWLRJCTQ-LBPRGKRZSA-N 0 3 265.353 2.238 20 10 CECDHN C[C@@H]([NH2+]CCc1ccnn1C)c1cc(F)ccc1[O-] ZINC000184025848 641828655 /nfs/dbraw/zinc/82/86/55/641828655.db2.gz CPFWTJQGOKEODJ-SNVBAGLBSA-N 0 3 263.316 2.158 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848572799 642060322 /nfs/dbraw/zinc/06/03/22/642060322.db2.gz VXORELFWNIOTTA-DGCLKSJQSA-N 0 3 290.363 2.334 20 10 CECDHN CCc1cccc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000848908080 642184172 /nfs/dbraw/zinc/18/41/72/642184172.db2.gz MRKSVAVDTTWLQI-CXAGYDPISA-N 0 3 291.391 2.334 20 10 CECDHN Cc1ccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c1 ZINC000877487284 650745315 /nfs/dbraw/zinc/74/53/15/650745315.db2.gz SDCYYXWEIKIOIB-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([O-])c1 ZINC000850389074 642696392 /nfs/dbraw/zinc/69/63/92/642696392.db2.gz SRWNVKUOLNINIY-LSDHHAIUSA-N 0 3 277.364 2.184 20 10 CECDHN COC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CCOCC1 ZINC000850493877 642731982 /nfs/dbraw/zinc/73/19/82/642731982.db2.gz KWKQGCLWDQAQRZ-CABCVRRESA-N 0 3 291.391 2.411 20 10 CECDHN COc1ccncc1CNCc1c(C)cccc1O ZINC000877548402 650780857 /nfs/dbraw/zinc/78/08/57/650780857.db2.gz KAIPMEYBIBFPAB-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1ccc(CN2CC(CO)(c3ccccc3)C2)c(O)c1 ZINC000877589650 650803468 /nfs/dbraw/zinc/80/34/68/650803468.db2.gz IFRJHPHOVHNURV-UHFFFAOYSA-N 0 3 283.371 2.447 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000877594989 650806279 /nfs/dbraw/zinc/80/62/79/650806279.db2.gz PAMOQJISQVICBZ-JOCQHMNTSA-N 0 3 276.380 2.082 20 10 CECDHN Nc1ccc(CCNC(=O)C[C@H]2NCc3ccccc32)cc1 ZINC000851632941 643100636 /nfs/dbraw/zinc/10/06/36/643100636.db2.gz YYTNEZZINUGUED-QGZVFWFLSA-N 0 3 295.386 2.162 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000877613079 650815058 /nfs/dbraw/zinc/81/50/58/650815058.db2.gz WDIPBEYUPNIAPR-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN C[C@H]1COC[C@H]1NCc1cc(F)c(N(C)C)cc1F ZINC000922641301 643179733 /nfs/dbraw/zinc/17/97/33/643179733.db2.gz ZZWFCFBONVZIKH-TVQRCGJNSA-N 0 3 270.323 2.155 20 10 CECDHN Cc1cnc(CNCc2cc3c(cc2O)OCO3)c(C)c1 ZINC000922741566 643234455 /nfs/dbraw/zinc/23/44/55/643234455.db2.gz AXMKZZVNHHBNMC-UHFFFAOYSA-N 0 3 286.331 2.423 20 10 CECDHN Cc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)c([O-])c1 ZINC000877637255 650828020 /nfs/dbraw/zinc/82/80/20/650828020.db2.gz GMCLRRGYDVDYMU-KRWDZBQOSA-N 0 3 293.407 2.358 20 10 CECDHN CCOc1ccc(O)c(CNCc2cncc(O)c2)c1 ZINC000922976569 643492407 /nfs/dbraw/zinc/49/24/07/643492407.db2.gz AINMHWIXDMYQKT-UHFFFAOYSA-N 0 3 274.320 2.181 20 10 CECDHN Oc1ccc(CN2CCN(Cc3ccccc3O)CC2)cc1 ZINC000877707718 650863857 /nfs/dbraw/zinc/86/38/57/650863857.db2.gz ZGMXWBDPUQKSEG-UHFFFAOYSA-N 0 3 298.386 2.416 20 10 CECDHN CN(C)c1ccc(CNCc2cccc(C(N)=O)c2)cc1 ZINC000035231645 643754215 /nfs/dbraw/zinc/75/42/15/643754215.db2.gz CDPYIULVZVEKOT-UHFFFAOYSA-N 0 3 283.375 2.141 20 10 CECDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755751 650898882 /nfs/dbraw/zinc/89/88/82/650898882.db2.gz LVXKAIMYSOWZSE-VCDKRKBESA-N 0 3 263.337 2.240 20 10 CECDHN CC(C)C(=O)NCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756371659 644637674 /nfs/dbraw/zinc/63/76/74/644637674.db2.gz MIGASMHWYMTHJX-ZYHUDNBSSA-N 0 3 294.370 2.441 20 10 CECDHN COC1CCN(CC[NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756643324 644678049 /nfs/dbraw/zinc/67/80/49/644678049.db2.gz UDIITTRCSNSSDV-GFCCVEGCSA-N 0 3 296.386 2.293 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(F)ccc1[O-] ZINC000756705495 644684219 /nfs/dbraw/zinc/68/42/19/644684219.db2.gz KJFOYWRPGSOOPR-SNVBAGLBSA-N 0 3 280.343 2.241 20 10 CECDHN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1=O ZINC000756739753 644688189 /nfs/dbraw/zinc/68/81/89/644688189.db2.gz ZCFMOKQKCSATAM-CMPLNLGQSA-N 0 3 280.343 2.191 20 10 CECDHN Cc1ccc([C@H](C)NCc2ccnc(N(C)C)n2)c(O)c1 ZINC000756792118 644693658 /nfs/dbraw/zinc/69/36/58/644693658.db2.gz YLESSNPYTADBNZ-LBPRGKRZSA-N 0 3 286.379 2.407 20 10 CECDHN CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000757440875 644781941 /nfs/dbraw/zinc/78/19/41/644781941.db2.gz ZYRLZIHBOTVWDQ-LLVKDONJSA-N 0 3 282.409 2.161 20 10 CECDHN CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000757440875 644781946 /nfs/dbraw/zinc/78/19/46/644781946.db2.gz ZYRLZIHBOTVWDQ-LLVKDONJSA-N 0 3 282.409 2.161 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000857060668 644805945 /nfs/dbraw/zinc/80/59/45/644805945.db2.gz DIFABNXPOYCYPV-TZMCWYRMSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000857060668 644805949 /nfs/dbraw/zinc/80/59/49/644805949.db2.gz DIFABNXPOYCYPV-TZMCWYRMSA-N 0 3 279.380 2.241 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCCOCCO)c2c1c(F)ccc2[O-] ZINC000757637681 644829621 /nfs/dbraw/zinc/82/96/21/644829621.db2.gz MHYVOTFSJPCASI-CMPLNLGQSA-N 0 3 283.343 2.068 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2OCC)c([O-])c1 ZINC000759172288 644991680 /nfs/dbraw/zinc/99/16/80/644991680.db2.gz HLMKIUAHHDRULP-GDBMZVCRSA-N 0 3 295.379 2.075 20 10 CECDHN CN(C)c1cc(F)c(CNCCn2ccnc2)cc1F ZINC000858087816 645057071 /nfs/dbraw/zinc/05/70/71/645057071.db2.gz UDTLITKVJKMBOL-UHFFFAOYSA-N 0 3 280.322 2.017 20 10 CECDHN CC[C@@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](C)O ZINC000858172407 645080243 /nfs/dbraw/zinc/08/02/43/645080243.db2.gz SYYYNJAFVHJIQW-TVQRCGJNSA-N 0 3 272.339 2.280 20 10 CECDHN CN1CCCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000858245366 645097869 /nfs/dbraw/zinc/09/78/69/645097869.db2.gz RIIQMRSMCRMXIS-LBPRGKRZSA-N 0 3 293.367 2.122 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000858470570 645171833 /nfs/dbraw/zinc/17/18/33/645171833.db2.gz IZKHQCSLEMVYMS-OLZOCXBDSA-N 0 3 273.332 2.231 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000858473492 645173214 /nfs/dbraw/zinc/17/32/14/645173214.db2.gz OTSCKBDMEWODIG-BXKDBHETSA-N 0 3 279.311 2.444 20 10 CECDHN O=C1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C1CCC1 ZINC000858602582 645217913 /nfs/dbraw/zinc/21/79/13/645217913.db2.gz CTAJPFPKYVFTEU-KGLIPLIRSA-N 0 3 286.375 2.123 20 10 CECDHN COc1ccc(O)c([C@H](C)NCC(=O)NCC(C)(C)C)c1 ZINC000859233956 645432000 /nfs/dbraw/zinc/43/20/00/645432000.db2.gz ZSVXSFNAEZKYKQ-NSHDSACASA-N 0 3 294.395 2.214 20 10 CECDHN CC(C)OCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768449507 646125068 /nfs/dbraw/zinc/12/50/68/646125068.db2.gz ZWJZDNIZUXQDBP-OAHLLOKOSA-N 0 3 295.379 2.065 20 10 CECDHN CC(C)OCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768449507 646125073 /nfs/dbraw/zinc/12/50/73/646125073.db2.gz ZWJZDNIZUXQDBP-OAHLLOKOSA-N 0 3 295.379 2.065 20 10 CECDHN CC[C@@]1(C)CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464179 646126270 /nfs/dbraw/zinc/12/62/70/646126270.db2.gz OARHNSSODOJADR-HOCLYGCPSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@]1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464179 646126278 /nfs/dbraw/zinc/12/62/78/646126278.db2.gz OARHNSSODOJADR-HOCLYGCPSA-N 0 3 277.364 2.440 20 10 CECDHN C[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462156 646126467 /nfs/dbraw/zinc/12/64/67/646126467.db2.gz KFPMGVCROBLNJH-AWEZNQCLSA-N 0 3 263.337 2.050 20 10 CECDHN C[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768462156 646126469 /nfs/dbraw/zinc/12/64/69/646126469.db2.gz KFPMGVCROBLNJH-AWEZNQCLSA-N 0 3 263.337 2.050 20 10 CECDHN CC(C)[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464763 646127585 /nfs/dbraw/zinc/12/75/85/646127585.db2.gz UXQWNPPSCRWJPK-ABAIWWIYSA-N 0 3 277.364 2.296 20 10 CECDHN CC(C)[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768464763 646127590 /nfs/dbraw/zinc/12/75/90/646127590.db2.gz UXQWNPPSCRWJPK-ABAIWWIYSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@@H]1C[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H](C)S1 ZINC000768465236 646128192 /nfs/dbraw/zinc/12/81/92/646128192.db2.gz DJTZYHQLFUYBAI-GPCCPHFNSA-N 0 3 295.404 2.144 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000768882771 646178317 /nfs/dbraw/zinc/17/83/17/646178317.db2.gz WPCGZPZGHLGPCP-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)C(=O)OC)c([O-])c1 ZINC000768882771 646178320 /nfs/dbraw/zinc/17/83/20/646178320.db2.gz WPCGZPZGHLGPCP-LLVKDONJSA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1ccc(C[N@H+](C[C@H](C)O)C(C)C)c([O-])c1 ZINC000769343648 646249629 /nfs/dbraw/zinc/24/96/29/646249629.db2.gz RTBDWYNFAFCTTE-LBPRGKRZSA-N 0 3 267.369 2.382 20 10 CECDHN CCOc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)c([O-])c1 ZINC000769343648 646249631 /nfs/dbraw/zinc/24/96/31/646249631.db2.gz RTBDWYNFAFCTTE-LBPRGKRZSA-N 0 3 267.369 2.382 20 10 CECDHN COc1ccc(C[NH2+]C2CC(OC(C)C)C2)c([O-])c1 ZINC000769937687 646336785 /nfs/dbraw/zinc/33/67/85/646336785.db2.gz QLWUNCIWBTWQBM-UHFFFAOYSA-N 0 3 265.353 2.446 20 10 CECDHN CCN(C)c1ccc(CN2CCSC[C@@H]2CCO)cc1 ZINC000773767119 646774897 /nfs/dbraw/zinc/77/48/97/646774897.db2.gz WYCLKKWGEQQZKE-INIZCTEOSA-N 0 3 294.464 2.443 20 10 CECDHN CN(CC(=O)NCc1cc(Cl)ccc1O)C1CCC1 ZINC000863928647 646853566 /nfs/dbraw/zinc/85/35/66/646853566.db2.gz VKUGDQCTZIQEKV-UHFFFAOYSA-N 0 3 282.771 2.146 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1ccccc1[O-] ZINC000775136648 646926174 /nfs/dbraw/zinc/92/61/74/646926174.db2.gz NFSDTXZQOZPRAP-OLZOCXBDSA-N 0 3 265.353 2.238 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC(=O)C1(N(C)C)CCC1 ZINC000119941332 646949284 /nfs/dbraw/zinc/94/92/84/646949284.db2.gz MOPFMWSFRZMFRL-UHFFFAOYSA-N 0 3 289.423 2.162 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Cl)ccc1[O-] ZINC000775555133 646964780 /nfs/dbraw/zinc/96/47/80/646964780.db2.gz JSIPDESVBVVJEE-DZGCQCFKSA-N 0 3 298.814 2.153 20 10 CECDHN CC[C@@H]1CCN(C(=[NH2+])NCc2ccc(OC)cc2[O-])C1 ZINC000864464428 647018573 /nfs/dbraw/zinc/01/85/73/647018573.db2.gz COSINPHBMWEQQL-LLVKDONJSA-N 0 3 277.368 2.157 20 10 CECDHN COc1ccc(O)c(CNC[C@H](OC)C(F)(F)F)c1 ZINC000776175151 647032138 /nfs/dbraw/zinc/03/21/38/647032138.db2.gz XBEUTTSMXVSWAF-NSHDSACASA-N 0 3 279.258 2.068 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000777725561 647170184 /nfs/dbraw/zinc/17/01/84/647170184.db2.gz URGYJYUCXKWVKR-YNEHKIRRSA-N 0 3 297.420 2.399 20 10 CECDHN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779011512 647282543 /nfs/dbraw/zinc/28/25/43/647282543.db2.gz FFYBVTHMWWIEMW-CQSZACIVSA-N 0 3 292.354 2.118 20 10 CECDHN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779011512 647282547 /nfs/dbraw/zinc/28/25/47/647282547.db2.gz FFYBVTHMWWIEMW-CQSZACIVSA-N 0 3 292.354 2.118 20 10 CECDHN C[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccccc1[O-] ZINC000783502608 647722588 /nfs/dbraw/zinc/72/25/88/647722588.db2.gz NRJXZCMQABJGEF-GFCCVEGCSA-N 0 3 295.346 2.219 20 10 CECDHN C[C@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1[O-] ZINC000783520000 647723709 /nfs/dbraw/zinc/72/37/09/647723709.db2.gz OFKYTAASNHPGRR-QWHCGFSZSA-N 0 3 275.348 2.487 20 10 CECDHN C[C@H](NCc1ccnc(N(C)C)n1)c1ccccc1O ZINC000783525760 647725490 /nfs/dbraw/zinc/72/54/90/647725490.db2.gz NVKQPUAZHSVFQA-NSHDSACASA-N 0 3 272.352 2.099 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](OC)CC1 ZINC000783602132 647735285 /nfs/dbraw/zinc/73/52/85/647735285.db2.gz APJYNYVCFUYQKI-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](OC)CC1 ZINC000783602132 647735287 /nfs/dbraw/zinc/73/52/87/647735287.db2.gz APJYNYVCFUYQKI-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](O)C(F)(F)F ZINC000866463031 647795540 /nfs/dbraw/zinc/79/55/40/647795540.db2.gz HCUULPOYJSRHMZ-DXBFQKDVSA-N 0 3 275.270 2.281 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1[O-] ZINC000866497665 647807013 /nfs/dbraw/zinc/80/70/13/647807013.db2.gz OUBJQBIGWXNHIS-OASPWFOLSA-N 0 3 285.771 2.154 20 10 CECDHN C[C@@H]([NH2+]CCC[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000872117920 649282865 /nfs/dbraw/zinc/28/28/65/649282865.db2.gz TUQPJSLQIUSUMP-NEPJUHHUSA-N 0 3 263.337 2.386 20 10 CECDHN CCC(C)(C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879647632 651334934 /nfs/dbraw/zinc/33/49/34/651334934.db2.gz GPPZHYIPEOPTFW-LLVKDONJSA-N 0 3 264.369 2.348 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccccc1[O-] ZINC000879649665 651335440 /nfs/dbraw/zinc/33/54/40/651335440.db2.gz BIDHWXKDJJIONL-NZBPQXDJSA-N 0 3 288.391 2.490 20 10 CECDHN COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000879649014 651335442 /nfs/dbraw/zinc/33/54/42/651335442.db2.gz HLROBAHRULPZJD-PWSUYJOCSA-N 0 3 291.347 2.279 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CCCC1 ZINC000879651698 651336107 /nfs/dbraw/zinc/33/61/07/651336107.db2.gz HQTIRXZHCYGWGO-NWDGAFQWSA-N 0 3 276.380 2.490 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001141156085 803758138 /nfs/dbraw/zinc/75/81/38/803758138.db2.gz DTYRSXAKUVHVPP-XHDPSFHLSA-N 0 3 263.337 2.099 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@]23CCOC3)c1 ZINC001118055569 814981569 /nfs/dbraw/zinc/98/15/69/814981569.db2.gz UOTHJSZJPQKALR-OAHLLOKOSA-N 0 3 263.337 2.156 20 10 CECDHN C[C@@H]([NH2+]C1CCN(C(=O)C2CC2)CC1)c1ccccc1[O-] ZINC000037142835 815026543 /nfs/dbraw/zinc/02/65/43/815026543.db2.gz ZWCGOLMGDDUGTR-GFCCVEGCSA-N 0 3 288.391 2.444 20 10 CECDHN COc1ccc(CN2CCC[C@H]([NH3+])CC2)c([O-])c1Cl ZINC001205123934 807716798 /nfs/dbraw/zinc/71/67/98/807716798.db2.gz HNQORAFKXUJLEO-NSHDSACASA-N 0 3 284.787 2.367 20 10 CECDHN Cc1cccc(O)c1CN1CC(N2CCC(F)CC2)C1 ZINC001237488338 808220722 /nfs/dbraw/zinc/22/07/22/808220722.db2.gz SYTWXWGFAOVIBM-UHFFFAOYSA-N 0 3 278.371 2.319 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CC[C@H]2SC)c([O-])c1 ZINC000701992615 809483904 /nfs/dbraw/zinc/48/39/04/809483904.db2.gz KTWPPHKEGDEXSR-WCQYABFASA-N 0 3 253.367 2.384 20 10 CECDHN CN1CCCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000703339925 809642770 /nfs/dbraw/zinc/64/27/70/809642770.db2.gz DXJDMOKWJUOGEV-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN [O-]c1cccc(Br)c1C[NH2+]CCCN1CCC1 ZINC000706825178 809855729 /nfs/dbraw/zinc/85/57/29/809855729.db2.gz PLIBXXQHPRLADG-UHFFFAOYSA-N 0 3 299.212 2.340 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])C[C@]2(C)C1 ZINC000708381470 809928924 /nfs/dbraw/zinc/92/89/24/809928924.db2.gz BHXPJZBDCBRWAN-ABAIWWIYSA-N 0 3 282.334 2.054 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@]2(C)C1 ZINC000708381470 809928925 /nfs/dbraw/zinc/92/89/25/809928925.db2.gz BHXPJZBDCBRWAN-ABAIWWIYSA-N 0 3 282.334 2.054 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](CC)C(N)=O ZINC000282379709 810756984 /nfs/dbraw/zinc/75/69/84/810756984.db2.gz FXBYTITVXWUXGO-CYBMUJFWSA-N 0 3 264.369 2.258 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](CC)C(N)=O ZINC000282379709 810756988 /nfs/dbraw/zinc/75/69/88/810756988.db2.gz FXBYTITVXWUXGO-CYBMUJFWSA-N 0 3 264.369 2.258 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)=O)C1 ZINC001169623917 811594030 /nfs/dbraw/zinc/59/40/30/811594030.db2.gz IMADGWMHYNBDDM-HNNXBMFYSA-N 0 3 276.380 2.225 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C(C)=O)C1 ZINC001169623917 811594040 /nfs/dbraw/zinc/59/40/40/811594040.db2.gz IMADGWMHYNBDDM-HNNXBMFYSA-N 0 3 276.380 2.225 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCN(C3CC3)C1)CC2 ZINC000389088049 813246852 /nfs/dbraw/zinc/24/68/52/813246852.db2.gz FYPYJFSWNCJGBK-GXTWGEPZSA-N 0 3 258.365 2.206 20 10 CECDHN Cc1nccn1CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389076827 813247130 /nfs/dbraw/zinc/24/71/30/813247130.db2.gz ZGUXPZVQCRZTIO-CYBMUJFWSA-N 0 3 257.337 2.174 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000389172944 813247914 /nfs/dbraw/zinc/24/79/14/813247914.db2.gz LOCLEEBPWONXNI-QWHCGFSZSA-N 0 3 265.353 2.021 20 10 CECDHN CCN1CCN(Cc2ccc3c(c2)CCCN3C)CC1 ZINC001138354426 815772834 /nfs/dbraw/zinc/77/28/34/815772834.db2.gz JLMHAYBAIRQDJT-UHFFFAOYSA-N 0 3 273.424 2.207 20 10 CECDHN CC(=O)Nc1ccc(O)c(Nc2ccncc2C)c1 ZINC001174538818 816027337 /nfs/dbraw/zinc/02/73/37/816027337.db2.gz RZBBAVHIPJNEOL-UHFFFAOYSA-N 0 3 257.293 2.220 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@@]3(C2)CC(F)(F)CO3)c1 ZINC001141160598 816492287 /nfs/dbraw/zinc/49/22/87/816492287.db2.gz FNFKNOMFQMXSEU-ZDUSSCGKSA-N 0 3 285.290 2.098 20 10 CECDHN C[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000007354333 343359069 /nfs/dbraw/zinc/35/90/69/343359069.db2.gz SHEFDQSGJSGPIE-CQSZACIVSA-N 0 3 289.423 2.243 20 10 CECDHN COc1ccc(N2CCN(CCC(C)(C)O)CC2)cc1F ZINC000084866346 344091794 /nfs/dbraw/zinc/09/17/94/344091794.db2.gz ZMAKWSHUEAGBTQ-UHFFFAOYSA-N 0 3 296.386 2.117 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1)OCO2 ZINC000284025510 344677736 /nfs/dbraw/zinc/67/77/36/344677736.db2.gz IFRGIFZBKWDIBU-GXTWGEPZSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)OCO2 ZINC000284025510 344677739 /nfs/dbraw/zinc/67/77/39/344677739.db2.gz IFRGIFZBKWDIBU-GXTWGEPZSA-N 0 3 291.347 2.264 20 10 CECDHN CCN(CC)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000337553435 366163046 /nfs/dbraw/zinc/16/30/46/366163046.db2.gz HWBFUIFNGSNILW-UHFFFAOYSA-N 0 3 287.407 2.445 20 10 CECDHN CCN(CC)c1ccc(CN2CCC[C@@H]2C(=O)NC)cc1 ZINC000092100014 364074673 /nfs/dbraw/zinc/07/46/73/364074673.db2.gz RBTAHGIOUGPBHE-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN Cc1cccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000180014439 368363457 /nfs/dbraw/zinc/36/34/57/368363457.db2.gz HOBVENBPDNTZPG-AWEZNQCLSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c1[O-] ZINC000180014439 368363461 /nfs/dbraw/zinc/36/34/61/368363461.db2.gz HOBVENBPDNTZPG-AWEZNQCLSA-N 0 3 277.364 2.286 20 10 CECDHN CC(C)(C)OC(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000180790180 368396397 /nfs/dbraw/zinc/39/63/97/368396397.db2.gz CKFFWEPYWGSGDT-UHFFFAOYSA-N 0 3 269.316 2.353 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180567385 368386016 /nfs/dbraw/zinc/38/60/16/368386016.db2.gz HIWAFVUKBFARNF-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180567385 368386020 /nfs/dbraw/zinc/38/60/20/368386020.db2.gz HIWAFVUKBFARNF-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000188678761 369393918 /nfs/dbraw/zinc/39/39/18/369393918.db2.gz HGNUGBORLFNABI-UHFFFAOYSA-N 0 3 263.337 2.052 20 10 CECDHN CCN(Cc1cc(C)ccc1O)C[C@H](O)C(F)(F)F ZINC000189880866 369575045 /nfs/dbraw/zinc/57/50/45/369575045.db2.gz NFBDIZHDAOYGSU-LBPRGKRZSA-N 0 3 277.286 2.446 20 10 CECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)ccc1[O-])CC2 ZINC000271160628 373152219 /nfs/dbraw/zinc/15/22/19/373152219.db2.gz DBAYGBRXJCBZLA-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN CC(C)N1C[C@H](N[C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554018 373195672 /nfs/dbraw/zinc/19/56/72/373195672.db2.gz WLEHMXLDYZPZQK-UKRRQHHQSA-N 0 3 289.423 2.413 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2COC3(CCCC3)O2)c1 ZINC000271874062 373203134 /nfs/dbraw/zinc/20/31/34/373203134.db2.gz YSSXWWJJDLESEH-AWEZNQCLSA-N 0 3 293.363 2.176 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCc2nc(C)no2)c1 ZINC000271854020 373203806 /nfs/dbraw/zinc/20/38/06/373203806.db2.gz RYVTVDMWHDDTNG-SNVBAGLBSA-N 0 3 291.351 2.376 20 10 CECDHN COc1cc(O)c(CNCc2ccn(C)c2)cc1OC ZINC000271815718 373204072 /nfs/dbraw/zinc/20/40/72/373204072.db2.gz LVSYSPDTCVZPAR-UHFFFAOYSA-N 0 3 276.336 2.038 20 10 CECDHN COc1cc([O-])c(C[NH2+]Cc2ccn(C)c2)cc1OC ZINC000271815718 373204083 /nfs/dbraw/zinc/20/40/83/373204083.db2.gz LVSYSPDTCVZPAR-UHFFFAOYSA-N 0 3 276.336 2.038 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2)c1 ZINC000271814187 373204608 /nfs/dbraw/zinc/20/46/08/373204608.db2.gz LKOKLIMJHOSOHQ-KRWDZBQOSA-N 0 3 287.359 2.398 20 10 CECDHN C[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000272653089 373601993 /nfs/dbraw/zinc/60/19/93/373601993.db2.gz QDKXUGQSFOVANK-WDEREUQCSA-N 0 3 253.317 2.436 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2cc(Cl)cc(OC)c2O)C1 ZINC000273807515 373772470 /nfs/dbraw/zinc/77/24/70/373772470.db2.gz YIAJQHFCXHABOJ-VIFPVBQESA-N 0 3 299.754 2.049 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC(CCCO)CC2)c1 ZINC000272988297 373741436 /nfs/dbraw/zinc/74/14/36/373741436.db2.gz WKBGRGZQZVHZNL-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc(C[NH2+]C2CC(OC(C)C)C2)c1[O-] ZINC000274619399 373986997 /nfs/dbraw/zinc/98/69/97/373986997.db2.gz VZCKFTXMZABKIU-UHFFFAOYSA-N 0 3 265.353 2.446 20 10 CECDHN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCc2cn[nH]c2C1 ZINC000374546551 374595402 /nfs/dbraw/zinc/59/54/02/374595402.db2.gz VTJLFMSFOXDZCQ-GFCCVEGCSA-N 0 3 277.755 2.416 20 10 CECDHN CCCCN(CC(=O)N(C)CC)Cc1ccccc1O ZINC000282549022 375514313 /nfs/dbraw/zinc/51/43/13/375514313.db2.gz WXUPRANLTDHQRO-UHFFFAOYSA-N 0 3 278.396 2.473 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCOCCO)cc1F ZINC000282700964 375553892 /nfs/dbraw/zinc/55/38/92/375553892.db2.gz JVUUQYLRUTWUOU-UHFFFAOYSA-N 0 3 298.402 2.113 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000282750617 375565433 /nfs/dbraw/zinc/56/54/33/375565433.db2.gz OBUDPJSUPKIBEY-IAQYHMDHSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000282750617 375565438 /nfs/dbraw/zinc/56/54/38/375565438.db2.gz OBUDPJSUPKIBEY-IAQYHMDHSA-N 0 3 263.337 2.023 20 10 CECDHN C[C@H]([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000284404822 375827285 /nfs/dbraw/zinc/82/72/85/375827285.db2.gz PYWXULUBIKXCAW-SLEUVZQESA-N 0 3 281.396 2.201 20 10 CECDHN CC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1ccc(F)cc1[O-] ZINC000286035338 375848044 /nfs/dbraw/zinc/84/80/44/375848044.db2.gz JLIPEEBQLGDOJL-LBPRGKRZSA-N 0 3 278.331 2.241 20 10 CECDHN CC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1ccc(F)cc1[O-] ZINC000286035338 375848046 /nfs/dbraw/zinc/84/80/46/375848046.db2.gz JLIPEEBQLGDOJL-LBPRGKRZSA-N 0 3 278.331 2.241 20 10 CECDHN COc1ccc(O)c(CN2CCC3(CC2)OCCCO3)c1 ZINC000293534007 377613860 /nfs/dbraw/zinc/61/38/60/377613860.db2.gz CDBBWWLUNQZUNB-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN COc1ccc([O-])c(C[NH+]2CCC3(CC2)OCCCO3)c1 ZINC000293534007 377613865 /nfs/dbraw/zinc/61/38/65/377613865.db2.gz CDBBWWLUNQZUNB-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN CNC(=O)C1CCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293553415 377626428 /nfs/dbraw/zinc/62/64/28/377626428.db2.gz RICUWGPGDCZNEZ-UHFFFAOYSA-N 0 3 289.423 2.019 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])[C@@H](O)C(F)F ZINC000294927509 378030239 /nfs/dbraw/zinc/03/02/39/378030239.db2.gz BKGVJIQGWKBTEF-LJUAHTATSA-N 0 3 289.322 2.456 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](SC)C2)cc1OC ZINC000295132817 378043472 /nfs/dbraw/zinc/04/34/72/378043472.db2.gz YJKFLPNHJYYJHY-LLVKDONJSA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](SC)C2)cc1OC ZINC000295132817 378043477 /nfs/dbraw/zinc/04/34/77/378043477.db2.gz YJKFLPNHJYYJHY-LLVKDONJSA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc(O)c(CN2CC[C@@H](SC)C2)cc1OC ZINC000295132817 378043479 /nfs/dbraw/zinc/04/34/79/378043479.db2.gz YJKFLPNHJYYJHY-LLVKDONJSA-N 0 3 283.393 2.347 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c(=O)n1C ZINC000296518789 378560360 /nfs/dbraw/zinc/56/03/60/378560360.db2.gz QUWMQGQIPQNGEP-AWEZNQCLSA-N 0 3 284.359 2.176 20 10 CECDHN CC[C@H]([NH2+]C[C@H](COC)OC)c1ccc(C)cc1[O-] ZINC000280269073 522627845 /nfs/dbraw/zinc/62/78/45/522627845.db2.gz XSTPRBNEUPVDIO-OCCSQVGLSA-N 0 3 267.369 2.403 20 10 CECDHN CC(=O)NCC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000224467435 394465890 /nfs/dbraw/zinc/46/58/90/394465890.db2.gz RZDGCQJUHIZIDV-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CCCC(=O)NC)c([O-])c1 ZINC000093717992 394669320 /nfs/dbraw/zinc/66/93/20/394669320.db2.gz UAFURXZCQMLLTO-UHFFFAOYSA-N 0 3 294.395 2.139 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CCCC(=O)NC)c([O-])c1 ZINC000093717992 394669323 /nfs/dbraw/zinc/66/93/23/394669323.db2.gz UAFURXZCQMLLTO-UHFFFAOYSA-N 0 3 294.395 2.139 20 10 CECDHN CCOC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000109771129 394734928 /nfs/dbraw/zinc/73/49/28/394734928.db2.gz FXZZTVULYJWXSD-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN CCOC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000109771129 394734934 /nfs/dbraw/zinc/73/49/34/394734934.db2.gz FXZZTVULYJWXSD-UHFFFAOYSA-N 0 3 251.326 2.167 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000121940190 394806513 /nfs/dbraw/zinc/80/65/13/394806513.db2.gz APXWNDPNLGESII-MWLCHTKSSA-N 0 3 263.259 2.356 20 10 CECDHN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000121939675 394806615 /nfs/dbraw/zinc/80/66/15/394806615.db2.gz APXWNDPNLGESII-ONGXEEELSA-N 0 3 263.259 2.356 20 10 CECDHN [O-]c1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000134226649 394957317 /nfs/dbraw/zinc/95/73/17/394957317.db2.gz OHMAGAPPLDYYQP-UHFFFAOYSA-N 0 3 263.337 2.168 20 10 CECDHN COCC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000282427519 394919240 /nfs/dbraw/zinc/91/92/40/394919240.db2.gz IXSVSTUSIFFFGW-UHFFFAOYSA-N 0 3 253.317 2.438 20 10 CECDHN CCOc1ccc(O)c(CN(C)[C@H]2CCOC2)c1 ZINC000132168204 394926230 /nfs/dbraw/zinc/92/62/30/394926230.db2.gz ICTHQMHHFWZQNY-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc(CN[C@@H](C)C(=O)N2CCCC2)cc1C ZINC000134490712 394957901 /nfs/dbraw/zinc/95/79/01/394957901.db2.gz UMFKFBDTHQMCSN-ZDUSSCGKSA-N 0 3 276.380 2.104 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N1CCCC1 ZINC000136421251 394970466 /nfs/dbraw/zinc/97/04/66/394970466.db2.gz LWWFFURTCGFQTQ-RYUDHWBXSA-N 0 3 262.353 2.054 20 10 CECDHN O=C([C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1)N1CCCC1 ZINC000373864331 395067148 /nfs/dbraw/zinc/06/71/48/395067148.db2.gz CMLZHWHDSVUXQQ-HIFRSBDPSA-N 0 3 288.391 2.273 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCCC2=O)c1 ZINC000182346012 395240418 /nfs/dbraw/zinc/24/04/18/395240418.db2.gz KYDMPVGVCOTKHC-LBPRGKRZSA-N 0 3 292.379 2.064 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCc2cnn(C)c2)c1 ZINC000182372210 395240590 /nfs/dbraw/zinc/24/05/90/395240590.db2.gz NZVMPQUDMHMMTC-LBPRGKRZSA-N 0 3 289.379 2.418 20 10 CECDHN C[C@@H](NC[C@H](C)C[NH+](C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293604095 395243408 /nfs/dbraw/zinc/24/34/08/395243408.db2.gz IYYJJECKPPCFQC-WDEREUQCSA-N 0 3 281.356 2.149 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1OC ZINC000293828766 395252054 /nfs/dbraw/zinc/25/20/54/395252054.db2.gz AMQGYGXFXQGBIQ-ZBEGNZNMSA-N 0 3 295.379 2.050 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000188468427 395316289 /nfs/dbraw/zinc/31/62/89/395316289.db2.gz QZSUNYCROYJZSP-NWDGAFQWSA-N 0 3 264.369 2.218 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C(=O)OC)C2)c1 ZINC000193500087 395409907 /nfs/dbraw/zinc/40/99/07/395409907.db2.gz CUWFMFUZIWYZFO-WCQYABFASA-N 0 3 293.363 2.222 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cn2cccn2)c1 ZINC000037155345 286338858 /nfs/dbraw/zinc/33/88/58/286338858.db2.gz PYSBDYJKCMVGAY-VXGBXAGGSA-N 0 3 275.352 2.337 20 10 CECDHN COc1ccc(N(C)C(=O)c2cccc3c2CCNC3)cn1 ZINC000662897863 414795903 /nfs/dbraw/zinc/79/59/03/414795903.db2.gz PVVPQDIWVLBHKD-UHFFFAOYSA-N 0 3 297.358 2.013 20 10 CECDHN CC[C@H]([NH2+]CCNC(=O)c1ccco1)c1ccccc1[O-] ZINC000154982350 261096820 /nfs/dbraw/zinc/09/68/20/261096820.db2.gz MYFVIRLMQYLYCW-ZDUSSCGKSA-N 0 3 288.347 2.456 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c([O-])c1 ZINC000367603202 261304019 /nfs/dbraw/zinc/30/40/19/261304019.db2.gz KVKBPYSJEZBSSM-QKDCVEJESA-N 0 3 277.364 2.163 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CSCCS2)c1 ZINC000164753375 261358673 /nfs/dbraw/zinc/35/86/73/261358673.db2.gz OASACGZICDSUQA-GFCCVEGCSA-N 0 3 285.434 2.339 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185317405 262050627 /nfs/dbraw/zinc/05/06/27/262050627.db2.gz MEVRBKFAIOPGEU-YPMHNXCESA-N 0 3 286.379 2.266 20 10 CECDHN C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(F)ccc1[O-] ZINC000186092150 262079324 /nfs/dbraw/zinc/07/93/24/262079324.db2.gz SHOXPDOYLSMGAL-NSHDSACASA-N 0 3 294.370 2.488 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186223926 262312327 /nfs/dbraw/zinc/31/23/27/262312327.db2.gz SNCDZJGLPFMPCF-NSHDSACASA-N 0 3 264.369 2.123 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])CC12CCC2 ZINC000369650283 267257041 /nfs/dbraw/zinc/25/70/41/267257041.db2.gz UOLCZBSHKCFBEC-ZDUSSCGKSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC12CCC2 ZINC000369650283 267257045 /nfs/dbraw/zinc/25/70/45/267257045.db2.gz UOLCZBSHKCFBEC-ZDUSSCGKSA-N 0 3 275.348 2.167 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(F)cc1[O-] ZINC000370399378 267316846 /nfs/dbraw/zinc/31/68/46/267316846.db2.gz UCGWHZOQXRZIEW-JOYOIKCWSA-N 0 3 275.327 2.463 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)cc1C ZINC000377272319 268063291 /nfs/dbraw/zinc/06/32/91/268063291.db2.gz BLQAYBTWSHZDKF-RHSMWYFYSA-N 0 3 291.391 2.389 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296666484 279271431 /nfs/dbraw/zinc/27/14/31/279271431.db2.gz FPJAABBICDOWBD-GDAOTKPNSA-N 0 3 267.394 2.126 20 10 CECDHN CCOc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000527765043 313200332 /nfs/dbraw/zinc/20/03/32/313200332.db2.gz IDQHSGPWNDGDKU-WBMJQRKESA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1cc(F)ccc1[O-] ZINC000185831144 327846872 /nfs/dbraw/zinc/84/68/72/327846872.db2.gz YQPQYKJILNBUSH-JFGNBEQYSA-N 0 3 251.301 2.119 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2ccsc2)c1 ZINC000271857660 328198066 /nfs/dbraw/zinc/19/80/66/328198066.db2.gz VDTIYXSMSBJTCP-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000272910654 328201555 /nfs/dbraw/zinc/20/15/55/328201555.db2.gz WNMXMAYFZNAJBN-NWDGAFQWSA-N 0 3 262.353 2.052 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)cc1C ZINC000280739178 328236205 /nfs/dbraw/zinc/23/62/05/328236205.db2.gz WPTNBAFHEIGQFC-LJQANCHMSA-N 0 3 281.421 2.400 20 10 CECDHN Cc1cc(Cl)cc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000378439508 329050536 /nfs/dbraw/zinc/05/05/36/329050536.db2.gz QMUMXFKZXQKEMX-ZDUSSCGKSA-N 0 3 296.798 2.455 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2CCN(C)CC2)c1[O-] ZINC000228669903 329059004 /nfs/dbraw/zinc/05/90/04/329059004.db2.gz RZFJCTHOQDNBLO-UHFFFAOYSA-N 0 3 284.787 2.238 20 10 CECDHN CCn1nncc1CN[C@H](C)c1c(C)cc(C)cc1O ZINC000527917233 330295238 /nfs/dbraw/zinc/29/52/38/330295238.db2.gz RXKWUEBQHBYBIP-GFCCVEGCSA-N 0 3 274.368 2.471 20 10 CECDHN Cc1c2ccccc2n(C)c1CNC(=O)/C=C/CN(C)C ZINC000491967583 332377577 /nfs/dbraw/zinc/37/75/77/332377577.db2.gz YEMFCJUYTRPALH-JXMROGBWSA-N 0 3 285.391 2.221 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)c1nccs1 ZINC000230694806 333321080 /nfs/dbraw/zinc/32/10/80/333321080.db2.gz YGBHYAOVQLVSHM-VIFPVBQESA-N 0 3 292.360 2.471 20 10 CECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000134496388 334092144 /nfs/dbraw/zinc/09/21/44/334092144.db2.gz WJOLQRCWTJZLBY-SNVBAGLBSA-N 0 3 279.336 2.026 20 10 CECDHN CCCOc1ccc(C[N@H+](C)CCOCCOC)c([O-])c1 ZINC000290073298 520345634 /nfs/dbraw/zinc/34/56/34/520345634.db2.gz FXOISFFSSANYQA-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)CCOCCOC)c([O-])c1 ZINC000290073298 520345639 /nfs/dbraw/zinc/34/56/39/520345639.db2.gz FXOISFFSSANYQA-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000292746927 520998416 /nfs/dbraw/zinc/99/84/16/520998416.db2.gz RBWNUIPRCYFPGJ-LBPRGKRZSA-N 0 3 294.395 2.043 20 10 CECDHN CN(C)c1ccc(CNC(=O)[C@@]2(C)CCCCN2)cc1F ZINC000237084364 522200894 /nfs/dbraw/zinc/20/08/94/522200894.db2.gz XUZLYFRRVRPKIH-MRXNPFEDSA-N 0 3 293.386 2.040 20 10 CECDHN COCC(C)(C)[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000292678298 522812905 /nfs/dbraw/zinc/81/29/05/522812905.db2.gz ALWHVEMGHXXSQO-UHFFFAOYSA-N 0 3 283.368 2.266 20 10 CECDHN COCC(C)(C)[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000292678298 522812909 /nfs/dbraw/zinc/81/29/09/522812909.db2.gz ALWHVEMGHXXSQO-UHFFFAOYSA-N 0 3 283.368 2.266 20 10 CECDHN CC[C@@H](NCC(=O)NCC(F)F)c1ccc(N(C)C)cc1 ZINC000280836601 522816445 /nfs/dbraw/zinc/81/64/45/522816445.db2.gz LMQZRDKUNONSFF-CYBMUJFWSA-N 0 3 299.365 2.175 20 10 CECDHN CC[C@@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C)cc1[O-] ZINC000280089828 522838638 /nfs/dbraw/zinc/83/86/38/522838638.db2.gz MGZATEOEHAZFKE-CYBMUJFWSA-N 0 3 285.409 2.176 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000273610453 523874956 /nfs/dbraw/zinc/87/49/56/523874956.db2.gz VRMBGPUWSRLMCM-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN Cc1cccc(C[NH2+][C@H](CO)Cc2ccccc2)c1[O-] ZINC000034472723 524441067 /nfs/dbraw/zinc/44/10/67/524441067.db2.gz AXPNTWYDLSWJEE-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000094618079 525552857 /nfs/dbraw/zinc/55/28/57/525552857.db2.gz ONYUDSCKYKSCNW-BHYNMZESSA-N 0 3 253.317 2.485 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](CO)[C@H]2CCOC2)c([O-])c1C ZINC000280975236 525921917 /nfs/dbraw/zinc/92/19/17/525921917.db2.gz VUFYSOYOOUCCGM-KKUMJFAQSA-N 0 3 293.407 2.305 20 10 CECDHN COc1cccc(C[NH2+]CCCc2c[nH]nc2C)c1[O-] ZINC000050182475 526014838 /nfs/dbraw/zinc/01/48/38/526014838.db2.gz ACBWSHHKIHCARQ-UHFFFAOYSA-N 0 3 275.352 2.155 20 10 CECDHN COc1cccc(C[NH2+]CCc2cccnc2OC)c1[O-] ZINC000289690210 526017768 /nfs/dbraw/zinc/01/77/68/526017768.db2.gz DDZURQQAEVJHTL-UHFFFAOYSA-N 0 3 288.347 2.137 20 10 CECDHN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000037087265 527578279 /nfs/dbraw/zinc/57/82/79/527578279.db2.gz WASPSMPNILFIPT-ZDUSSCGKSA-N 0 3 257.337 2.293 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@@H](C)OC)c([O-])c1 ZINC000726607565 574428029 /nfs/dbraw/zinc/42/80/29/574428029.db2.gz QGGAXMAQTQGTSS-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN CCN(CC)c1ccc(CNCCN2CCC2)cc1F ZINC000752101018 575305392 /nfs/dbraw/zinc/30/53/92/575305392.db2.gz HAQOGGQHPKSDDX-UHFFFAOYSA-N 0 3 279.403 2.467 20 10 CECDHN CC(=O)NCCN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741712365 574994917 /nfs/dbraw/zinc/99/49/17/574994917.db2.gz UWNMRNCLPFFIES-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000741752600 574996534 /nfs/dbraw/zinc/99/65/34/574996534.db2.gz BTRWHDUBASHZSI-INIZCTEOSA-N 0 3 289.423 2.195 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1ccccc1Cn1cncn1 ZINC000749397832 575218095 /nfs/dbraw/zinc/21/80/95/575218095.db2.gz YZGUEQDMJXQAKD-UHFFFAOYSA-N 0 3 294.358 2.322 20 10 CECDHN C[C@H](NCc1cn[nH]c1)c1ccc(N2CCOCC2)cc1 ZINC000749915596 575239863 /nfs/dbraw/zinc/23/98/63/575239863.db2.gz MZASWDACBZIZMY-ZDUSSCGKSA-N 0 3 286.379 2.097 20 10 CECDHN O=c1[nH]c2ccc(C[NH2+]Cc3ccccc3[O-])cc2[nH]1 ZINC000753569088 575330384 /nfs/dbraw/zinc/33/03/84/575330384.db2.gz WKWMAESAJBSTJE-UHFFFAOYSA-N 0 3 269.304 2.264 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000725841779 625613579 /nfs/dbraw/zinc/61/35/79/625613579.db2.gz ZKQYHWKQEMNFCM-ZDUSSCGKSA-N 0 3 290.363 2.386 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000185117734 628223090 /nfs/dbraw/zinc/22/30/90/628223090.db2.gz AKEQERDXOCAVPQ-YPMHNXCESA-N 0 3 285.359 2.215 20 10 CECDHN CC[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1ccc(C)cc1[O-] ZINC000794807788 629325417 /nfs/dbraw/zinc/32/54/17/629325417.db2.gz LQWXMJLZNMHVRR-HOCLYGCPSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794809083 629326572 /nfs/dbraw/zinc/32/65/72/629326572.db2.gz QGEFLXLYNCWPQD-HOCLYGCPSA-N 0 3 292.423 2.462 20 10 CECDHN CC1=C[C@H](C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797419426 630233141 /nfs/dbraw/zinc/23/31/41/630233141.db2.gz LPZCKAFTRTVKMQ-BONVTDFDSA-N 0 3 275.348 2.216 20 10 CECDHN CC1=C[C@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797419426 630233145 /nfs/dbraw/zinc/23/31/45/630233145.db2.gz LPZCKAFTRTVKMQ-BONVTDFDSA-N 0 3 275.348 2.216 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000895752351 630330399 /nfs/dbraw/zinc/33/03/99/630330399.db2.gz HYDVFQQRIMQZOT-HNNXBMFYSA-N 0 3 293.313 2.364 20 10 CECDHN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(F)ccc3[O-])O2)CO1 ZINC000895820273 630361913 /nfs/dbraw/zinc/36/19/13/630361913.db2.gz NEAQFVLZAMEJAV-DIOULYMOSA-N 0 3 295.354 2.348 20 10 CECDHN Cc1nc([C@H]2CC[N@H+](Cc3ccccc3[O-])C2)no1 ZINC000896240114 630509461 /nfs/dbraw/zinc/50/94/61/630509461.db2.gz NUYJQEKELYBPML-LBPRGKRZSA-N 0 3 259.309 2.073 20 10 CECDHN Cc1nc([C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)no1 ZINC000896240114 630509467 /nfs/dbraw/zinc/50/94/67/630509467.db2.gz NUYJQEKELYBPML-LBPRGKRZSA-N 0 3 259.309 2.073 20 10 CECDHN C[C@]1([C@H]2CCC[N@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397035 630552763 /nfs/dbraw/zinc/55/27/63/630552763.db2.gz ULMKPOOOAGFNJA-XJKSGUPXSA-N 0 3 290.363 2.103 20 10 CECDHN C[C@]1([C@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397035 630552765 /nfs/dbraw/zinc/55/27/65/630552765.db2.gz ULMKPOOOAGFNJA-XJKSGUPXSA-N 0 3 290.363 2.103 20 10 CECDHN COC(=O)C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000896469388 630569189 /nfs/dbraw/zinc/56/91/89/630569189.db2.gz YFVQKCSCVXJDBW-GHMZBOCLSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000896469388 630569192 /nfs/dbraw/zinc/56/91/92/630569192.db2.gz YFVQKCSCVXJDBW-GHMZBOCLSA-N 0 3 281.327 2.162 20 10 CECDHN CN1CC[C@@H]([NH2+]Cc2c([O-])cccc2F)CC1(C)C ZINC000896638456 630622106 /nfs/dbraw/zinc/62/21/06/630622106.db2.gz BVTWBVCJTNNGGZ-LLVKDONJSA-N 0 3 266.360 2.494 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NCCF ZINC000800499016 631131230 /nfs/dbraw/zinc/13/12/30/631131230.db2.gz SYOJUEUBLHDRAK-ATZCPNFKSA-N 0 3 298.333 2.143 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@]2(O)CCOC2)c1[O-] ZINC000808708175 631143128 /nfs/dbraw/zinc/14/31/28/631143128.db2.gz IZTVRFNZKCYAAV-QMTHXVAHSA-N 0 3 285.771 2.156 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)N1C ZINC000840090998 631834380 /nfs/dbraw/zinc/83/43/80/631834380.db2.gz XOYKHWGGBTZPRI-BETUJISGSA-N 0 3 285.391 2.465 20 10 CECDHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccncc32)C[C@H](C)N1C ZINC000840090998 631834386 /nfs/dbraw/zinc/83/43/86/631834386.db2.gz XOYKHWGGBTZPRI-BETUJISGSA-N 0 3 285.391 2.465 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000808445382 631964671 /nfs/dbraw/zinc/96/46/71/631964671.db2.gz WCYSXVTXEWJEKV-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN COc1cccc(CNCc2cnc([C@@H](C)O)s2)c1O ZINC000809741160 632136370 /nfs/dbraw/zinc/13/63/70/632136370.db2.gz LFYGYDDCJNCRFP-SECBINFHSA-N 0 3 294.376 2.200 20 10 CECDHN COc1ccc(O)c(CNCc2cn(C)nc2C(F)F)c1 ZINC000812755899 632573469 /nfs/dbraw/zinc/57/34/69/632573469.db2.gz DZUMEAFOUSCCNU-UHFFFAOYSA-N 0 3 297.305 2.362 20 10 CECDHN CCOc1ccc(C[N@H+](CC)[C@H]2CCOC2)c([O-])c1 ZINC000812780914 632577446 /nfs/dbraw/zinc/57/74/46/632577446.db2.gz WOKKIPJBRAYWFQ-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+](CC)[C@H]2CCOC2)c([O-])c1 ZINC000812780914 632577449 /nfs/dbraw/zinc/57/74/49/632577449.db2.gz WOKKIPJBRAYWFQ-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC000816667147 633460863 /nfs/dbraw/zinc/46/08/63/633460863.db2.gz DSVBQHFCFKVJDE-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC000816667147 633460866 /nfs/dbraw/zinc/46/08/66/633460866.db2.gz DSVBQHFCFKVJDE-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCCN1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000817589904 633703283 /nfs/dbraw/zinc/70/32/83/633703283.db2.gz RELKNDQVEJPLDC-OCCSQVGLSA-N 0 3 288.391 2.228 20 10 CECDHN C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)ccc1[O-] ZINC000817959430 633801631 /nfs/dbraw/zinc/80/16/31/633801631.db2.gz FWPAWXKWAIFRKX-UFBFGSQYSA-N 0 3 254.761 2.434 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817964549 633806977 /nfs/dbraw/zinc/80/69/77/633806977.db2.gz CHXNDYQYBPDYRH-QWHCGFSZSA-N 0 3 252.333 2.309 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccc2ccccc2c1[O-] ZINC000817983948 633827572 /nfs/dbraw/zinc/82/75/72/633827572.db2.gz SFDIYOHILYMPNX-OCCSQVGLSA-N 0 3 286.375 2.184 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN2C)c2c1c(F)ccc2[O-] ZINC000903317404 635064125 /nfs/dbraw/zinc/06/41/25/635064125.db2.gz KGGHHEVWHDIFNG-SCVCMEIPSA-N 0 3 264.344 2.373 20 10 CECDHN CC[C@H]([NH2+]CC[C@@](C)(O)COC)c1ccccc1[O-] ZINC000824559319 635450415 /nfs/dbraw/zinc/45/04/15/635450415.db2.gz PEHLQUSATOVNGE-DZGCQCFKSA-N 0 3 267.369 2.220 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c([O-])c1 ZINC000824635306 635466871 /nfs/dbraw/zinc/46/68/71/635466871.db2.gz GPYFTJCSQSHIQL-DGCLKSJQSA-N 0 3 289.322 2.285 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)CCCCO)c([O-])c1 ZINC000824653792 635471111 /nfs/dbraw/zinc/47/11/11/635471111.db2.gz IAXVZXSPIHHMAI-LBPRGKRZSA-N 0 3 267.369 2.432 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(C)=O ZINC000829516049 636872936 /nfs/dbraw/zinc/87/29/36/636872936.db2.gz NZXMEZCYGTYBRI-INIZCTEOSA-N 0 3 279.380 2.334 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(C)=O ZINC000829516049 636872938 /nfs/dbraw/zinc/87/29/38/636872938.db2.gz NZXMEZCYGTYBRI-INIZCTEOSA-N 0 3 279.380 2.334 20 10 CECDHN O=[N+]([O-])c1cc(Cl)cc(CNCCC[NH2+]C2CC2)c1[O-] ZINC000841091596 637760427 /nfs/dbraw/zinc/76/04/27/637760427.db2.gz BLNHCPJMAIVKHY-UHFFFAOYSA-N 0 3 299.758 2.186 20 10 CECDHN CN(C)[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000834518686 637852003 /nfs/dbraw/zinc/85/20/03/637852003.db2.gz MGNUFBIWZVKZNR-ZIAGYGMSSA-N 0 3 260.381 2.309 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000876650434 650376058 /nfs/dbraw/zinc/37/60/58/650376058.db2.gz SGDHKGRCBJGYEM-ZDUSSCGKSA-N 0 3 276.380 2.178 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000876650434 650376061 /nfs/dbraw/zinc/37/60/61/650376061.db2.gz SGDHKGRCBJGYEM-ZDUSSCGKSA-N 0 3 276.380 2.178 20 10 CECDHN COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834844646 637967530 /nfs/dbraw/zinc/96/75/30/637967530.db2.gz SRXJNRPWVNSVDN-DOMZBBRYSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000834906522 637983689 /nfs/dbraw/zinc/98/36/89/637983689.db2.gz FYYCSNMJBMOBDI-SDDRHHMPSA-N 0 3 262.353 2.005 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)NC ZINC000834912414 637985734 /nfs/dbraw/zinc/98/57/34/637985734.db2.gz LXKUVTIJLJMFHF-LSJOCFKGSA-N 0 3 280.343 2.194 20 10 CECDHN CC[C@@H]([NH2+][C@@H](CC)c1ccc(C)cc1[O-])C(=O)NC ZINC000834910891 637986040 /nfs/dbraw/zinc/98/60/40/637986040.db2.gz GJRLGWMITDSSSC-QWHCGFSZSA-N 0 3 264.369 2.266 20 10 CECDHN Cc1ccc(CN2CCN(CCOC(C)C)CC2)c(O)c1 ZINC000876757976 650422436 /nfs/dbraw/zinc/42/24/36/650422436.db2.gz DFRBMOVHWNCZFR-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCc1nnc2ccccn21 ZINC000876896816 650477138 /nfs/dbraw/zinc/47/71/38/650477138.db2.gz BBKHQJUNYVBDRU-UHFFFAOYSA-N 0 3 282.347 2.076 20 10 CECDHN COc1ncccc1CNCc1ccc(C)cc1O ZINC000876925435 650488646 /nfs/dbraw/zinc/48/86/46/650488646.db2.gz FWTBHRBZPQZTLI-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000840827024 639553417 /nfs/dbraw/zinc/55/34/17/639553417.db2.gz ZHLNGEOQCZQKJO-HFHAKLMTSA-N 0 3 281.327 2.083 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1[O-] ZINC000840963886 639602694 /nfs/dbraw/zinc/60/26/94/639602694.db2.gz RIQQJUNWWFLXEN-SMDDNHRTSA-N 0 3 299.798 2.231 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c([O-])c1 ZINC000840977050 639606913 /nfs/dbraw/zinc/60/69/13/639606913.db2.gz FQYHPWGZOQPXSW-GXTWGEPZSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@H]1C[C@@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060718 639637142 /nfs/dbraw/zinc/63/71/42/639637142.db2.gz BLOIJMGDTSCYFY-KWQFWETISA-N 0 3 299.758 2.184 20 10 CECDHN C[C@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063588 639639074 /nfs/dbraw/zinc/63/90/74/639639074.db2.gz LDIZLOUPQIMRMU-KWQFWETISA-N 0 3 299.758 2.041 20 10 CECDHN C[C@H]1CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063588 639639078 /nfs/dbraw/zinc/63/90/78/639639078.db2.gz LDIZLOUPQIMRMU-KWQFWETISA-N 0 3 299.758 2.041 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000877044973 650545285 /nfs/dbraw/zinc/54/52/85/650545285.db2.gz MXTJDRUKESKTIK-KBPBESRZSA-N 0 3 290.407 2.437 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000842911884 640220389 /nfs/dbraw/zinc/22/03/89/640220389.db2.gz OCJPZGZVZCVYSX-ZWKOPEQDSA-N 0 3 285.771 2.418 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000842918087 640221360 /nfs/dbraw/zinc/22/13/60/640221360.db2.gz YTSLUASGWVWKKL-BLLLJJGKSA-N 0 3 279.380 2.220 20 10 CECDHN CN(C)c1ccc(CN(C)Cc2ccc(N)nc2)cc1 ZINC000843059742 640262838 /nfs/dbraw/zinc/26/28/38/640262838.db2.gz RHZSETFEACNXPH-UHFFFAOYSA-N 0 3 270.380 2.362 20 10 CECDHN CN(Cc1cccc(Br)c1[O-])C1CC([NH3+])C1 ZINC000843124793 640291261 /nfs/dbraw/zinc/29/12/61/640291261.db2.gz GSANLAOADZHNEW-UHFFFAOYSA-N 0 3 285.185 2.076 20 10 CECDHN CC(=O)c1cc(F)cc(CN(C)CC(C)(C)C[NH3+])c1[O-] ZINC000843355236 640401324 /nfs/dbraw/zinc/40/13/24/640401324.db2.gz NQLFNGGLRICIMP-UHFFFAOYSA-N 0 3 282.359 2.151 20 10 CECDHN C[C@@H](CO)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000846057210 641165755 /nfs/dbraw/zinc/16/57/55/641165755.db2.gz DWGZDBZQNBKOMY-NSHDSACASA-N 0 3 267.344 2.372 20 10 CECDHN COc1cccc([C@@H](C)NCc2cc(C)n[nH]2)c1O ZINC000846143421 641200834 /nfs/dbraw/zinc/20/08/34/641200834.db2.gz FTDZFKGARBBXBE-SNVBAGLBSA-N 0 3 261.325 2.283 20 10 CECDHN COc1cccc([C@@H](C)NCc2cc(C)nn2C)c1O ZINC000846168116 641210388 /nfs/dbraw/zinc/21/03/88/641210388.db2.gz QZCGNPVJVSSJHW-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN COc1cccc([C@H](C)NCc2n[nH]c(C3CC3)n2)c1O ZINC000846170603 641212059 /nfs/dbraw/zinc/21/20/59/641212059.db2.gz PHUFXPWECIEKIA-VIFPVBQESA-N 0 3 288.351 2.247 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@]2(O)CCCOC2)c([O-])c1 ZINC000846212879 641224680 /nfs/dbraw/zinc/22/46/80/641224680.db2.gz NIASVGDXEBVLKQ-XJKSGUPXSA-N 0 3 279.380 2.283 20 10 CECDHN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(F)ccc1[O-] ZINC000846214131 641226303 /nfs/dbraw/zinc/22/63/03/641226303.db2.gz SKEUTHVDMOFDAV-ABAIWWIYSA-N 0 3 283.343 2.114 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000877257432 650645088 /nfs/dbraw/zinc/64/50/88/650645088.db2.gz PYLOIQRDNCWWEL-WCQYABFASA-N 0 3 264.369 2.333 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C[C@H]2C)c1[O-] ZINC000846707861 641404377 /nfs/dbraw/zinc/40/43/77/641404377.db2.gz ZRNNCBRWFJIJLB-RNCFNFMXSA-N 0 3 280.343 2.046 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+](CCCCO)C1CC1 ZINC000180149195 641418450 /nfs/dbraw/zinc/41/84/50/641418450.db2.gz DVZXCCZZWUXWMW-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+](CCCCO)C1CC1 ZINC000180149195 641418456 /nfs/dbraw/zinc/41/84/56/641418456.db2.gz DVZXCCZZWUXWMW-UHFFFAOYSA-N 0 3 253.317 2.268 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185330428 641966323 /nfs/dbraw/zinc/96/63/23/641966323.db2.gz ATHOBWJJPVMVBB-JSGCOSHPSA-N 0 3 296.386 2.293 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1 ZINC000186149836 642073842 /nfs/dbraw/zinc/07/38/42/642073842.db2.gz BJOZEORGNYGURP-CYBMUJFWSA-N 0 3 279.380 2.140 20 10 CECDHN CCc1cccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000848908081 642183924 /nfs/dbraw/zinc/18/39/24/642183924.db2.gz MRKSVAVDTTWLQI-DYVFJYSZSA-N 0 3 291.391 2.334 20 10 CECDHN Cc1ccc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000877491994 650748694 /nfs/dbraw/zinc/74/86/94/650748694.db2.gz DSZUPFDFAZHKHB-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c(O)c1 ZINC000877495550 650750551 /nfs/dbraw/zinc/75/05/51/650750551.db2.gz YLSTWCCXUIPOEA-RHSMWYFYSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ncc(CNCc2ccc3c(c2)CCCN3C)n1C ZINC000850099015 642578002 /nfs/dbraw/zinc/57/80/02/642578002.db2.gz DDGUWSQKZSBVOS-UHFFFAOYSA-N 0 3 284.407 2.401 20 10 CECDHN CCCN1CC[C@H]([NH2+]Cc2ccc(OCC)cc2[O-])C1 ZINC000850395068 642698360 /nfs/dbraw/zinc/69/83/60/642698360.db2.gz NHBGUXYTMIQCDQ-AWEZNQCLSA-N 0 3 278.396 2.365 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000877544415 650779152 /nfs/dbraw/zinc/77/91/52/650779152.db2.gz PJBZGTJFOXUHTF-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c([O-])c1 ZINC000877544415 650779153 /nfs/dbraw/zinc/77/91/53/650779153.db2.gz PJBZGTJFOXUHTF-AWEZNQCLSA-N 0 3 257.337 2.344 20 10 CECDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCOC1 ZINC000850484446 642729197 /nfs/dbraw/zinc/72/91/97/642729197.db2.gz IXJOAZXMADLHDI-VNHYZAJKSA-N 0 3 277.364 2.021 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](O)C(F)F ZINC000877561177 650789321 /nfs/dbraw/zinc/78/93/21/650789321.db2.gz IICOKYDCMGLCEL-PWSUYJOCSA-N 0 3 259.296 2.195 20 10 CECDHN COC[C@@H](NCc1ccc2c(c1)CCCO2)[C@@H]1CCCO1 ZINC000922078726 642867557 /nfs/dbraw/zinc/86/75/57/642867557.db2.gz GUXAQOKWMQQZTK-WBVHZDCISA-N 0 3 291.391 2.295 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000877603638 650809658 /nfs/dbraw/zinc/80/96/58/650809658.db2.gz RLWMWMLIXWRSNY-ZDUSSCGKSA-N 0 3 284.363 2.177 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000877603638 650809659 /nfs/dbraw/zinc/80/96/59/650809659.db2.gz RLWMWMLIXWRSNY-ZDUSSCGKSA-N 0 3 284.363 2.177 20 10 CECDHN Cc1ccc(C[NH+]2CCC(C3(O)CC3)CC2)c([O-])c1 ZINC000877610694 650813042 /nfs/dbraw/zinc/81/30/42/650813042.db2.gz XLOYEXKKQQNDAH-UHFFFAOYSA-N 0 3 261.365 2.438 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877623108 650818381 /nfs/dbraw/zinc/81/83/81/650818381.db2.gz IVTFPQRRMUHPQD-BMFZPTHFSA-N 0 3 293.407 2.356 20 10 CECDHN Cc1cccc(O)c1CN1CCc2c(cccc2C(N)=O)C1 ZINC000877641869 650830207 /nfs/dbraw/zinc/83/02/07/650830207.db2.gz CMEVOSXCZWSAIT-UHFFFAOYSA-N 0 3 296.370 2.358 20 10 CECDHN CC(=O)c1cc(F)cc(CN2[C@H](C)C[NH2+][C@@H](C)[C@@H]2C)c1[O-] ZINC000923446332 643714673 /nfs/dbraw/zinc/71/46/73/643714673.db2.gz YGUGNBAIYUNQHQ-VWYCJHECSA-N 0 3 294.370 2.305 20 10 CECDHN CCn1nccc1CN[C@H](C)c1cccc(OC)c1O ZINC000853239588 643718866 /nfs/dbraw/zinc/71/88/66/643718866.db2.gz IKIOUEHZTADJPL-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN CC[C@](C)(C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000824744078 643789071 /nfs/dbraw/zinc/78/90/71/643789071.db2.gz ZARHMKNLVZJEAY-CQSZACIVSA-N 0 3 253.342 2.306 20 10 CECDHN CCOC(=O)CC(C)(C)C[NH2+]Cc1ccc(OC)cc1[O-] ZINC000839066831 644137723 /nfs/dbraw/zinc/13/77/23/644137723.db2.gz IBUKZRNCOAUPLU-UHFFFAOYSA-N 0 3 295.379 2.470 20 10 CECDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755750 650899191 /nfs/dbraw/zinc/89/91/91/650899191.db2.gz LVXKAIMYSOWZSE-RSLMWUCJSA-N 0 3 263.337 2.240 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756583611 644672204 /nfs/dbraw/zinc/67/22/04/644672204.db2.gz CIMWWDOKVZLHDL-SIVJFFJCSA-N 0 3 297.370 2.457 20 10 CECDHN COC(=O)N1CC([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)C1 ZINC000756757804 644689608 /nfs/dbraw/zinc/68/96/08/644689608.db2.gz DPYHNOBYUDUHCY-KCJUWKMLSA-N 0 3 294.326 2.120 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756782064 644691394 /nfs/dbraw/zinc/69/13/94/644691394.db2.gz MCNPKYNMZFZRJU-KOLCDFICSA-N 0 3 294.370 2.441 20 10 CECDHN COC[C@H](C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F)OC ZINC000757638537 644829975 /nfs/dbraw/zinc/82/99/75/644829975.db2.gz QMVUTPGSBFJIOW-JFGNBEQYSA-N 0 3 283.343 2.331 20 10 CECDHN CC(C)[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858139348 645072548 /nfs/dbraw/zinc/07/25/48/645072548.db2.gz RTWAZISSUVLHDJ-AWEZNQCLSA-N 0 3 272.339 2.137 20 10 CECDHN CC[C@H](NCc1cc(F)c(N(C)C)cc1F)[C@H](C)O ZINC000858172408 645080428 /nfs/dbraw/zinc/08/04/28/645080428.db2.gz SYYYNJAFVHJIQW-ZANVPECISA-N 0 3 272.339 2.280 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000858232490 645094759 /nfs/dbraw/zinc/09/47/59/645094759.db2.gz YYHPLZGHQCROSH-LBPRGKRZSA-N 0 3 270.323 2.211 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000858295512 645109754 /nfs/dbraw/zinc/10/97/54/645109754.db2.gz DYHNYQFTKFQIAB-IAQYHMDHSA-N 0 3 263.337 2.058 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H](C)C(=O)N(C)OC)cc1 ZINC000858578126 645207324 /nfs/dbraw/zinc/20/73/24/645207324.db2.gz GZXYKJPDAQGPLM-STQMWFEESA-N 0 3 293.411 2.202 20 10 CECDHN CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000858588230 645215610 /nfs/dbraw/zinc/21/56/10/645215610.db2.gz XNBBJGTUWVJCSB-IQJOONFLSA-N 0 3 296.342 2.078 20 10 CECDHN CCOc1ccc(C[NH2+][C@@](C)(CC)CCO)c([O-])c1 ZINC000761973272 645344111 /nfs/dbraw/zinc/34/41/11/645344111.db2.gz KSNWYUJEBDKZNR-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878241491 651043407 /nfs/dbraw/zinc/04/34/07/651043407.db2.gz GLMKUGLFGKDGOX-HNNXBMFYSA-N 0 3 291.391 2.410 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CC2(CO1)CCOCC2 ZINC000878241491 651043410 /nfs/dbraw/zinc/04/34/10/651043410.db2.gz GLMKUGLFGKDGOX-HNNXBMFYSA-N 0 3 291.391 2.410 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC000769319633 646244031 /nfs/dbraw/zinc/24/40/31/646244031.db2.gz VXJJJQGXDJJJFS-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC000769319633 646244038 /nfs/dbraw/zinc/24/40/38/646244038.db2.gz VXJJJQGXDJJJFS-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN OC[C@H](NCc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000769933412 646336384 /nfs/dbraw/zinc/33/63/84/646336384.db2.gz LOWDFJLEOBTWFR-NSHDSACASA-N 0 3 293.344 2.006 20 10 CECDHN OC[C@@H](NCc1cc2c(cc1O)OCO2)c1ccsc1 ZINC000769933411 646336527 /nfs/dbraw/zinc/33/65/27/646336527.db2.gz LOWDFJLEOBTWFR-LLVKDONJSA-N 0 3 293.344 2.006 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000770745326 646434102 /nfs/dbraw/zinc/43/41/02/646434102.db2.gz GRVDJOIUNBTYMG-NEPJUHHUSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1ccc(O)c(CN[C@](C)(CO)c2cccc(O)c2)c1 ZINC000862432451 646457966 /nfs/dbraw/zinc/45/79/66/646457966.db2.gz DJSJCZWVRRDBEZ-QGZVFWFLSA-N 0 3 287.359 2.404 20 10 CECDHN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccccc1[O-] ZINC000775136649 646926084 /nfs/dbraw/zinc/92/60/84/646926084.db2.gz NFSDTXZQOZPRAP-QWHCGFSZSA-N 0 3 265.353 2.238 20 10 CECDHN CC[C@@H]([NH2+]CCCS(=O)(=O)CC)c1ccccc1[O-] ZINC000775411333 646951726 /nfs/dbraw/zinc/95/17/26/646951726.db2.gz DJWXLRZGETWWKJ-CYBMUJFWSA-N 0 3 285.409 2.258 20 10 CECDHN CCOc1ccc(C[NH2+]C2(CC(=O)OC)CCC2)c([O-])c1 ZINC000777440908 647136853 /nfs/dbraw/zinc/13/68/53/647136853.db2.gz MNBJWWDAWWVVME-UHFFFAOYSA-N 0 3 293.363 2.366 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([O-])c1 ZINC000778216190 647211666 /nfs/dbraw/zinc/21/16/66/647211666.db2.gz KDVLONQKLHPRFG-DOMZBBRYSA-N 0 3 279.380 2.432 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000779026844 647283271 /nfs/dbraw/zinc/28/32/71/647283271.db2.gz ZLAFLZUOCKVFAM-OAHLLOKOSA-N 0 3 295.354 2.301 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1[C@@H]3OC[C@H]4C[C@H]1C[C@H]34)CC2 ZINC000866444725 647789398 /nfs/dbraw/zinc/78/93/98/647789398.db2.gz CARSTEFIICMIKE-YYFDJCOCSA-N 0 3 271.360 2.393 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)COCC(C)C)c1ccccc1[O-] ZINC000121081746 647808049 /nfs/dbraw/zinc/80/80/49/647808049.db2.gz MWXAUFZKUTZGTH-HIFRSBDPSA-N 0 3 281.396 2.466 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCCC[C@@H]([NH3+])C2)c1[O-] ZINC000866670949 647863070 /nfs/dbraw/zinc/86/30/70/647863070.db2.gz YTHLMCDUJWIHIK-CQSZACIVSA-N 0 3 294.370 2.437 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](OC)C(F)(F)F ZINC000786830224 648049105 /nfs/dbraw/zinc/04/91/05/648049105.db2.gz GTDUWQGVVSRACQ-GFCCVEGCSA-N 0 3 293.285 2.458 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c([O-])c1 ZINC000787420840 648107718 /nfs/dbraw/zinc/10/77/18/648107718.db2.gz KYLZOKDNDKSCTL-BXUZGUMPSA-N 0 3 293.363 2.174 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H]2C)c([O-])c1 ZINC000787420840 648107722 /nfs/dbraw/zinc/10/77/22/648107722.db2.gz KYLZOKDNDKSCTL-BXUZGUMPSA-N 0 3 293.363 2.174 20 10 CECDHN CCN1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200955 649030464 /nfs/dbraw/zinc/03/04/64/649030464.db2.gz ODUSKRWRVIFZJV-AWEZNQCLSA-N 0 3 274.364 2.109 20 10 CECDHN CN(C)c1ccc(CN(C)[C@H]2CCCCN(C)C2=O)cc1 ZINC000872265451 649334353 /nfs/dbraw/zinc/33/43/53/649334353.db2.gz HVNZOQCNGDSQMQ-INIZCTEOSA-N 0 3 289.423 2.195 20 10 CECDHN CSC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000872627397 649444933 /nfs/dbraw/zinc/44/49/33/649444933.db2.gz BWLQDHRJLHYELM-AWEZNQCLSA-N 0 3 295.404 2.145 20 10 CECDHN CCCOc1ccc(CNCC[S@@](C)=O)cc1C ZINC000873053102 649544824 /nfs/dbraw/zinc/54/48/24/649544824.db2.gz FDCNSJRXJKBRIX-GOSISDBHSA-N 0 3 269.410 2.252 20 10 CECDHN [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC000873226932 649598847 /nfs/dbraw/zinc/59/88/47/649598847.db2.gz ABMHWWKKIKRCJB-ZJUUUORDSA-N 0 3 292.276 2.100 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)c1ccccn1)c1ccccc1[O-] ZINC000879649775 651335413 /nfs/dbraw/zinc/33/54/13/651335413.db2.gz GTLCKECKKZMDSG-XHDPSFHLSA-N 0 3 258.321 2.171 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1[O-] ZINC000879650219 651335686 /nfs/dbraw/zinc/33/56/86/651335686.db2.gz PZKBAANYHMVHOY-ZIAGYGMSSA-N 0 3 293.407 2.347 20 10 CECDHN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccc(O)c1[O-])C2 ZINC001168245099 806437620 /nfs/dbraw/zinc/43/76/20/806437620.db2.gz UKMZUTQVXLSTAL-AWEZNQCLSA-N 0 3 285.343 2.363 20 10 CECDHN CN(CC[NH+]1CCCC1)Cc1cccc(F)c1[O-] ZINC000160231430 806862590 /nfs/dbraw/zinc/86/25/90/806862590.db2.gz VWGWKQOAPROCBN-UHFFFAOYSA-N 0 3 252.333 2.059 20 10 CECDHN CC[NH+]1C[C@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@@H]2C1 ZINC001140468608 802964700 /nfs/dbraw/zinc/96/47/00/802964700.db2.gz QHMQJTMKJKTZLQ-STQMWFEESA-N 0 3 280.799 2.429 20 10 CECDHN C[C@H](NCc1cc2c(cc1O)OCO2)c1ccns1 ZINC000715930038 815008164 /nfs/dbraw/zinc/00/81/64/815008164.db2.gz GJTJPDTWVBLXGD-QMMMGPOBSA-N 0 3 278.333 2.428 20 10 CECDHN CCN(CC)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037126692 815011857 /nfs/dbraw/zinc/01/18/57/815011857.db2.gz IIXJBYKTXVYSRF-NEPJUHHUSA-N 0 3 264.369 2.300 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1Cl ZINC001235986838 807906575 /nfs/dbraw/zinc/90/65/75/807906575.db2.gz CXTXWMIRRGIPQA-SMDDNHRTSA-N 0 3 266.772 2.277 20 10 CECDHN Cc1cc(F)cc(CN2CCN(C3CC3)CC2)c1O ZINC001238059013 808292572 /nfs/dbraw/zinc/29/25/72/808292572.db2.gz XOXMHLQGTHMVDD-UHFFFAOYSA-N 0 3 264.344 2.120 20 10 CECDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171778873 815231907 /nfs/dbraw/zinc/23/19/07/815231907.db2.gz XFXRDBGBFVFDCS-LBPRGKRZSA-N 0 3 273.307 2.494 20 10 CECDHN COc1ccc(C[NH2+]Cc2cccnc2C)c([O-])c1 ZINC000705570097 809783835 /nfs/dbraw/zinc/78/38/35/809783835.db2.gz MXUSMYZAWFDYSY-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1ccc(C[NH2+]C2CC(SC)C2)c([O-])c1 ZINC000708311593 809926254 /nfs/dbraw/zinc/92/62/54/809926254.db2.gz UNAWCQOTXKYHSV-UHFFFAOYSA-N 0 3 253.367 2.384 20 10 CECDHN CC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])CO1 ZINC000711220641 810050460 /nfs/dbraw/zinc/05/04/60/810050460.db2.gz UKTNMKBOMIAIQA-RYUDHWBXSA-N 0 3 251.326 2.058 20 10 CECDHN C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1c([O-])cccc1F ZINC001122257893 815396652 /nfs/dbraw/zinc/39/66/52/815396652.db2.gz FDOZRCXZWCDYET-XHDPSFHLSA-N 0 3 280.343 2.055 20 10 CECDHN [NH3+][C@H](C(=O)NCc1c([O-])cccc1F)C1CCCCCC1 ZINC001122258263 815397391 /nfs/dbraw/zinc/39/73/91/815397391.db2.gz PLEDNTJDCKZSKG-HNNXBMFYSA-N 0 3 294.370 2.445 20 10 CECDHN C[C@H]1[NH2+]CCN(Cc2cc(Br)ccc2[O-])[C@@H]1C ZINC000379503399 811050356 /nfs/dbraw/zinc/05/03/56/811050356.db2.gz YJPVVQOTXFBZKE-NXEZZACHSA-N 0 3 299.212 2.337 20 10 CECDHN COC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC001172791625 815522876 /nfs/dbraw/zinc/52/28/76/815522876.db2.gz MITQGXNRSPFEIB-WCQYABFASA-N 0 3 293.363 2.309 20 10 CECDHN COc1cc(CNCc2ccc(OC)cc2O)sn1 ZINC000399150747 813700255 /nfs/dbraw/zinc/70/02/55/813700255.db2.gz XSPDHRILZZWWLH-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN CCCCN(CC(N)=O)Cc1cccc(CC)c1O ZINC000692083759 814602867 /nfs/dbraw/zinc/60/28/67/814602867.db2.gz AFTXTMKXRXKIFW-UHFFFAOYSA-N 0 3 264.369 2.042 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116444088 814854081 /nfs/dbraw/zinc/85/40/81/814854081.db2.gz QDYJVIYBEUIIAG-SWLSCSKDSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001116444088 814854086 /nfs/dbraw/zinc/85/40/86/814854086.db2.gz QDYJVIYBEUIIAG-SWLSCSKDSA-N 0 3 277.364 2.402 20 10 CECDHN [O-]c1cccc(F)c1C[NH+]1CCN(c2cccnc2)CC1 ZINC001137833142 815692104 /nfs/dbraw/zinc/69/21/04/815692104.db2.gz UUASZXPRNHNVBF-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN Oc1cccc(F)c1CN1CCN(c2cccnc2)CC1 ZINC001137833142 815692107 /nfs/dbraw/zinc/69/21/07/815692107.db2.gz UUASZXPRNHNVBF-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN COC(=O)CCCC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001173453780 815735552 /nfs/dbraw/zinc/73/55/52/815735552.db2.gz NKQRSJWBCDVAIU-NSHDSACASA-N 0 3 281.352 2.309 20 10 CECDHN CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173635468 815774069 /nfs/dbraw/zinc/77/40/69/815774069.db2.gz DLYRWUXEPRRFGE-WCQYABFASA-N 0 3 293.363 2.309 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](O)C[C@H]2C)c(OC)c1 ZINC001138386078 815786615 /nfs/dbraw/zinc/78/66/15/815786615.db2.gz GQDYIHFFDSJQLK-CJNGLKHVSA-N 0 3 292.423 2.497 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@]1(C)O ZINC001140058239 816180809 /nfs/dbraw/zinc/18/08/09/816180809.db2.gz WCBSIHKDBQIWST-QMTHXVAHSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@]1(C)O ZINC001140058239 816180814 /nfs/dbraw/zinc/18/08/14/816180814.db2.gz WCBSIHKDBQIWST-QMTHXVAHSA-N 0 3 253.317 2.124 20 10 CECDHN COC(=O)CC1CN(Cc2c(C)ccc(C)c2O)C1 ZINC001140182714 816205281 /nfs/dbraw/zinc/20/52/81/816205281.db2.gz XWQBRPJLJBGNFK-UHFFFAOYSA-N 0 3 263.337 2.004 20 10 CECDHN Fc1cc(N2CCOCC2)ccc1CN1CCCC1 ZINC001140662561 816316516 /nfs/dbraw/zinc/31/65/16/816316516.db2.gz YQINDSAECDDVRY-UHFFFAOYSA-N 0 3 264.344 2.258 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@@H](C(N)=O)C2)c(Cl)c1 ZINC001140921580 816411122 /nfs/dbraw/zinc/41/11/22/816411122.db2.gz IRHOBKCGVIUZRC-GFCCVEGCSA-N 0 3 295.814 2.103 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)CC2)c(OC)c1 ZINC001141032115 816452768 /nfs/dbraw/zinc/45/27/68/816452768.db2.gz SZENDXLGUBEUCT-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)CC2)c(OC)c1 ZINC001141032115 816452776 /nfs/dbraw/zinc/45/27/76/816452776.db2.gz SZENDXLGUBEUCT-GFCCVEGCSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032399 816453150 /nfs/dbraw/zinc/45/31/50/816453150.db2.gz ANCNBGSBOKHKMZ-VXGBXAGGSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c(OC)c1 ZINC001141032399 816453151 /nfs/dbraw/zinc/45/31/51/816453151.db2.gz ANCNBGSBOKHKMZ-VXGBXAGGSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032397 816453212 /nfs/dbraw/zinc/45/32/12/816453212.db2.gz ANCNBGSBOKHKMZ-NWDGAFQWSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032397 816453213 /nfs/dbraw/zinc/45/32/13/816453213.db2.gz ANCNBGSBOKHKMZ-NWDGAFQWSA-N 0 3 295.379 2.409 20 10 CECDHN COC(=O)CCCCC[NH2+]Cc1ccccc1[O-] ZINC000083385025 178391520 /nfs/dbraw/zinc/39/15/20/178391520.db2.gz AWXKQXCXCXVYAY-UHFFFAOYSA-N 0 3 251.326 2.215 20 10 CECDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(C)C ZINC000063465365 343677762 /nfs/dbraw/zinc/67/77/62/343677762.db2.gz BXCKBPZZSNIBLB-UHFFFAOYSA-N 0 3 291.439 2.441 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000093837348 344230310 /nfs/dbraw/zinc/23/03/10/344230310.db2.gz LWZOBIXVANCSPE-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1[O-] ZINC000093837348 344230313 /nfs/dbraw/zinc/23/03/13/344230313.db2.gz LWZOBIXVANCSPE-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870481 344231542 /nfs/dbraw/zinc/23/15/42/344231542.db2.gz QOTHDXCLCIDDPQ-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000093870481 344231543 /nfs/dbraw/zinc/23/15/43/344231543.db2.gz QOTHDXCLCIDDPQ-AWEZNQCLSA-N 0 3 285.391 2.499 20 10 CECDHN CN(C)c1ccc(CN[C@H]2C[C@@H](O)C2)c(C(F)(F)F)c1 ZINC000294938940 539497613 /nfs/dbraw/zinc/49/76/13/539497613.db2.gz VBDAWZKRCHVJGZ-KLPPZKSPSA-N 0 3 288.313 2.384 20 10 CECDHN COC(=O)[C@H]1CCC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000151623117 366655670 /nfs/dbraw/zinc/65/56/70/366655670.db2.gz XPPWGTRSXKXLCG-ZDUSSCGKSA-N 0 3 277.364 2.394 20 10 CECDHN COC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000151623117 366655677 /nfs/dbraw/zinc/65/56/77/366655677.db2.gz XPPWGTRSXKXLCG-ZDUSSCGKSA-N 0 3 277.364 2.394 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccccc1 ZINC000111235472 364725034 /nfs/dbraw/zinc/72/50/34/364725034.db2.gz ATHODBQZUJFLRK-MRXNPFEDSA-N 0 3 271.360 2.428 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)Cc1ccccc1 ZINC000111235472 364725038 /nfs/dbraw/zinc/72/50/38/364725038.db2.gz ATHODBQZUJFLRK-MRXNPFEDSA-N 0 3 271.360 2.428 20 10 CECDHN CCOCCN[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000161878766 367118729 /nfs/dbraw/zinc/11/87/29/367118729.db2.gz GKMLSVBVAYJOAC-AWEZNQCLSA-N 0 3 278.396 2.210 20 10 CECDHN C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196469 368371824 /nfs/dbraw/zinc/37/18/24/368371824.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 0 3 266.360 2.446 20 10 CECDHN C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196469 368371826 /nfs/dbraw/zinc/37/18/26/368371826.db2.gz NFFSJWFTAWWQTR-FZMZJTMJSA-N 0 3 266.360 2.446 20 10 CECDHN Cc1cccc(CN2CCN(Cc3ccccn3)CC2)c1O ZINC000179628083 368345091 /nfs/dbraw/zinc/34/50/91/368345091.db2.gz PREAKWWMGNFNMR-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN C[C@H]([NH2+]CCCc1cnn(C)c1)c1ccccc1[O-] ZINC000179885039 368356733 /nfs/dbraw/zinc/35/67/33/368356733.db2.gz VPTBCHOUTHXVDG-LBPRGKRZSA-N 0 3 259.353 2.409 20 10 CECDHN CCCCCN(CC(N)=O)Cc1cc(C)c(C)cc1O ZINC000180809044 368397045 /nfs/dbraw/zinc/39/70/45/368397045.db2.gz BVNUUZNFXBOUKJ-UHFFFAOYSA-N 0 3 278.396 2.487 20 10 CECDHN CCOc1cccc(CN2CC[C@@H](OCCOC)C2)c1O ZINC000188812560 369412219 /nfs/dbraw/zinc/41/22/19/369412219.db2.gz SIHWOYAZPNIJAZ-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](OCCOC)C2)c1[O-] ZINC000188812560 369412223 /nfs/dbraw/zinc/41/22/23/369412223.db2.gz SIHWOYAZPNIJAZ-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](OCCOC)C2)c1[O-] ZINC000188812560 369412226 /nfs/dbraw/zinc/41/22/26/369412226.db2.gz SIHWOYAZPNIJAZ-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+](Cc2cccc(OC)c2[O-])C1 ZINC000190211576 369604991 /nfs/dbraw/zinc/60/49/91/369604991.db2.gz FTNHNUWSDLWPJO-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+](Cc2cccc(OC)c2[O-])C1 ZINC000190211576 369604994 /nfs/dbraw/zinc/60/49/94/369604994.db2.gz FTNHNUWSDLWPJO-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000226250416 370332332 /nfs/dbraw/zinc/33/23/32/370332332.db2.gz XCHHCNJWWQFMRL-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN CC[C@@H](C(=O)N(C)Cc1ccccc1O)N(CC)CC ZINC000267349068 372069827 /nfs/dbraw/zinc/06/98/27/372069827.db2.gz GBQSZNHMVQCHMC-AWEZNQCLSA-N 0 3 278.396 2.471 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](CC)CCOC)c1 ZINC000271035838 373081727 /nfs/dbraw/zinc/08/17/27/373081727.db2.gz FZXJJRMVQLVBSU-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](CC)CCOC)c1 ZINC000271035838 373081731 /nfs/dbraw/zinc/08/17/31/373081731.db2.gz FZXJJRMVQLVBSU-UHFFFAOYSA-N 0 3 253.342 2.259 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306774 373147633 /nfs/dbraw/zinc/14/76/33/373147633.db2.gz AMPCXIISNYKRNS-HOCLYGCPSA-N 0 3 292.423 2.232 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306774 373147634 /nfs/dbraw/zinc/14/76/34/373147634.db2.gz AMPCXIISNYKRNS-HOCLYGCPSA-N 0 3 292.423 2.232 20 10 CECDHN COc1cccc(C[N@@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000271231271 373184994 /nfs/dbraw/zinc/18/49/94/373184994.db2.gz UKBNCTVGABJEMU-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc(C[N@H+]2CCC3(C2)CCOCC3)c1[O-] ZINC000271231271 373185005 /nfs/dbraw/zinc/18/50/05/373185005.db2.gz UKBNCTVGABJEMU-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CN1CC=C(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000271765109 373200334 /nfs/dbraw/zinc/20/03/34/373200334.db2.gz AGEJTFQPCFRLOO-UHFFFAOYSA-N 0 3 266.772 2.397 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@H](C)C2)cc1OC ZINC000271819337 373204765 /nfs/dbraw/zinc/20/47/65/373204765.db2.gz MOFDNVYTUHSNHT-NEPJUHHUSA-N 0 3 295.379 2.314 20 10 CECDHN COc1cccc(CNCc2cnc3n2CCCC3)c1O ZINC000368493997 373242142 /nfs/dbraw/zinc/24/21/42/373242142.db2.gz DMIYJYIKYYDDJI-UHFFFAOYSA-N 0 3 287.363 2.223 20 10 CECDHN Cc1ccc([C@@H](C)NCC(=O)NC(C)C)c(O)c1C ZINC000273402679 373755464 /nfs/dbraw/zinc/75/54/64/373755464.db2.gz NRAIYCOIFJWSTP-GFCCVEGCSA-N 0 3 264.369 2.184 20 10 CECDHN CCn1cc(CN[C@@H](C)c2cc(OC)ccc2O)cn1 ZINC000273450646 373757677 /nfs/dbraw/zinc/75/76/77/373757677.db2.gz FWQHPDXGPXFYMO-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000273604689 373767186 /nfs/dbraw/zinc/76/71/86/373767186.db2.gz SVOUTIAQPNFXPD-KGLIPLIRSA-N 0 3 278.396 2.072 20 10 CECDHN COC(=O)CCCN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374776641 374629638 /nfs/dbraw/zinc/62/96/38/374629638.db2.gz GEGRXZJMJQQBHX-UHFFFAOYSA-N 0 3 288.391 2.405 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccccc1[O-] ZINC000375301875 374650303 /nfs/dbraw/zinc/65/03/03/374650303.db2.gz HZDQZXIKTGVOCL-JJRVBVJISA-N 0 3 288.391 2.490 20 10 CECDHN CC[C@H]1C[N@H+](Cc2cccc(OC)c2[O-])CCCO1 ZINC000281169114 375360875 /nfs/dbraw/zinc/36/08/75/375360875.db2.gz GSBWZTSEOATPLX-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2cccc(OC)c2[O-])CCCO1 ZINC000281169114 375360882 /nfs/dbraw/zinc/36/08/82/375360882.db2.gz GSBWZTSEOATPLX-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc(OC)ccc2[O-])C[C@H]1C ZINC000282251699 375439292 /nfs/dbraw/zinc/43/92/92/375439292.db2.gz BHUXMVUYCCAKCX-BDJLRTHQSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc(OC)ccc2[O-])C[C@H]1C ZINC000282251699 375439293 /nfs/dbraw/zinc/43/92/93/375439293.db2.gz BHUXMVUYCCAKCX-BDJLRTHQSA-N 0 3 293.363 2.032 20 10 CECDHN COCC[C@](C)(O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284277537 375825302 /nfs/dbraw/zinc/82/53/02/375825302.db2.gz XGABCKVNMXJGBC-CJNGLKHVSA-N 0 3 281.396 2.447 20 10 CECDHN CCC[C@@]1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCOC1 ZINC000285564408 375840763 /nfs/dbraw/zinc/84/07/63/375840763.db2.gz RULSCZLUDWUEHX-OAHLLOKOSA-N 0 3 279.336 2.170 20 10 CECDHN Cc1cnn(C)c1CNCc1ccc(N(C)C)cc1 ZINC000285556059 375840959 /nfs/dbraw/zinc/84/09/59/375840959.db2.gz VBENKIGVUWUOKN-UHFFFAOYSA-N 0 3 258.369 2.084 20 10 CECDHN Cc1cccc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000289336347 376390750 /nfs/dbraw/zinc/39/07/50/376390750.db2.gz HHMWPSGSINSEPX-INIZCTEOSA-N 0 3 277.364 2.082 20 10 CECDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C[C@H](C)OC ZINC000291083600 377063986 /nfs/dbraw/zinc/06/39/86/377063986.db2.gz OAEABHLBBXYZDW-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C[C@H](C)OC ZINC000291083600 377063993 /nfs/dbraw/zinc/06/39/93/377063993.db2.gz OAEABHLBBXYZDW-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000294704751 378014241 /nfs/dbraw/zinc/01/42/41/378014241.db2.gz DFBUJLIGWAOLKI-ZDUSSCGKSA-N 0 3 278.352 2.055 20 10 CECDHN CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294704751 378014244 /nfs/dbraw/zinc/01/42/44/378014244.db2.gz DFBUJLIGWAOLKI-ZDUSSCGKSA-N 0 3 278.352 2.055 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294650399 378002558 /nfs/dbraw/zinc/00/25/58/378002558.db2.gz GSYYZPOKPBDWCJ-QWHCGFSZSA-N 0 3 267.369 2.057 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000529640773 380181451 /nfs/dbraw/zinc/18/14/51/380181451.db2.gz DJDVMHAUUDEKND-XHDPSFHLSA-N 0 3 263.337 2.058 20 10 CECDHN CCN(CC)c1ccc(CN2CC[C@@H](CO)C2)cc1F ZINC000092763697 394662063 /nfs/dbraw/zinc/66/20/63/394662063.db2.gz MBKHIGRXPYCJTA-CQSZACIVSA-N 0 3 280.387 2.486 20 10 CECDHN COc1cccc(CN(C)CCOCC2CC2)c1O ZINC000093818614 394669160 /nfs/dbraw/zinc/66/91/60/394669160.db2.gz AYMLCXZBMOMGJP-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CN(C)c1ccc(CNC[C@@](C)(O)C(F)(F)F)cc1 ZINC000270455238 394734873 /nfs/dbraw/zinc/73/48/73/394734873.db2.gz DKVXJYKRLZUUID-GFCCVEGCSA-N 0 3 276.302 2.156 20 10 CECDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C[C@@H]1CCCO1 ZINC000132662831 394935920 /nfs/dbraw/zinc/93/59/20/394935920.db2.gz CAIIBJQIZMDLKO-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C[C@@H]1CCCO1 ZINC000132662831 394935921 /nfs/dbraw/zinc/93/59/21/394935921.db2.gz CAIIBJQIZMDLKO-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc(O)c(CN(C)C[C@H]2CCCO2)c1 ZINC000132958280 394940426 /nfs/dbraw/zinc/94/04/26/394940426.db2.gz HURCLGZFKOYFIE-CYBMUJFWSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)N1CCCC1 ZINC000135674104 394967682 /nfs/dbraw/zinc/96/76/82/394967682.db2.gz FTBZSNZBBPPLSG-KBPBESRZSA-N 0 3 289.423 2.414 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)cc1C ZINC000374268297 395078880 /nfs/dbraw/zinc/07/88/80/395078880.db2.gz FRTYETOKRYBSBP-NVXWUHKLSA-N 0 3 291.391 2.437 20 10 CECDHN Oc1ccccc1CN1CCN([C@@H]2CCSC2)CC1 ZINC000374270837 395079024 /nfs/dbraw/zinc/07/90/24/395079024.db2.gz RDWFHXOXJXVQDM-CQSZACIVSA-N 0 3 278.421 2.015 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675382 395085558 /nfs/dbraw/zinc/08/55/58/395085558.db2.gz DBAQEYNJQKLPHJ-RHSMWYFYSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675382 395085561 /nfs/dbraw/zinc/08/55/61/395085561.db2.gz DBAQEYNJQKLPHJ-RHSMWYFYSA-N 0 3 289.375 2.476 20 10 CECDHN CCCOc1ccc(C[NH2+]C2(CO)CCC2)c([O-])c1 ZINC000178638670 395171181 /nfs/dbraw/zinc/17/11/81/395171181.db2.gz LSSRSGUSRNPMQI-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN CC[C@H](C)NC(=O)[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000182343924 395241087 /nfs/dbraw/zinc/24/10/87/395241087.db2.gz AUGLUFIVAZOBOG-SRVKXCTJSA-N 0 3 294.395 2.355 20 10 CECDHN CCOC(=O)N1CCCN(Cc2ccccc2O)CC1 ZINC000179565652 395195113 /nfs/dbraw/zinc/19/51/13/395195113.db2.gz ZIHMAGIURNALTB-UHFFFAOYSA-N 0 3 278.352 2.056 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292752737 395204346 /nfs/dbraw/zinc/20/43/46/395204346.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c1 ZINC000292752737 395204348 /nfs/dbraw/zinc/20/43/48/395204348.db2.gz IPVDHQDPPHVIQZ-MRXNPFEDSA-N 0 3 260.381 2.228 20 10 CECDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000292891216 395208102 /nfs/dbraw/zinc/20/81/02/395208102.db2.gz YWNQPFBNHRFWGF-AAEUAGOBSA-N 0 3 266.360 2.237 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000183613905 395261223 /nfs/dbraw/zinc/26/12/23/395261223.db2.gz HFQRZEQSBQQIEK-NWDGAFQWSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cnn(C)c1 ZINC000297704512 395347069 /nfs/dbraw/zinc/34/70/69/395347069.db2.gz MOAUQPHCPXQASX-GXFFZTMASA-N 0 3 257.337 2.464 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1 ZINC000020125457 171008588 /nfs/dbraw/zinc/00/85/88/171008588.db2.gz QQHRQUHIPXSMOT-LBPRGKRZSA-N 0 3 264.369 2.123 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)N2CCCCC2)c1 ZINC000038028710 174017542 /nfs/dbraw/zinc/01/75/42/174017542.db2.gz PUKUQIAQMDNBRZ-ZDUSSCGKSA-N 0 3 278.396 2.365 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038043965 174051570 /nfs/dbraw/zinc/05/15/70/174051570.db2.gz VUWDCXPWQNHNLH-NEPJUHHUSA-N 0 3 265.353 2.478 20 10 CECDHN COc1ccc(CNCc2cc(C)ccc2O)cn1 ZINC000071406716 176156460 /nfs/dbraw/zinc/15/64/60/176156460.db2.gz UIAZWULKKKPPSH-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN O[C@@H](CNCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000037363044 260095006 /nfs/dbraw/zinc/09/50/06/260095006.db2.gz FGVSLTXDUFHIMT-INIZCTEOSA-N 0 3 269.344 2.445 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccccc1[O-] ZINC000091666379 260266473 /nfs/dbraw/zinc/26/64/73/260266473.db2.gz XLXYGFSLQLLGIG-FMKPAKJESA-N 0 3 290.407 2.296 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H](CO)C2)cc1F ZINC000154584294 261092835 /nfs/dbraw/zinc/09/28/35/261092835.db2.gz SFBOWQJGQLFEEG-ZDUSSCGKSA-N 0 3 266.360 2.096 20 10 CECDHN C[C@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000154699269 261094263 /nfs/dbraw/zinc/09/42/63/261094263.db2.gz WGNIKLUYFOZAGH-AWEZNQCLSA-N 0 3 289.423 2.195 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(CC(=O)N(C)C)CC2)c1 ZINC000180330431 261855052 /nfs/dbraw/zinc/85/50/52/261855052.db2.gz JIXNLHXDQPHCGU-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN COc1cc(Cl)cc(CN2CC[C@@](C)(O)C2)c1O ZINC000184701466 262027191 /nfs/dbraw/zinc/02/71/91/262027191.db2.gz DLZHKRQHPLJTBN-CYBMUJFWSA-N 0 3 271.744 2.011 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCc3c[nH]nc3C2)c1[O-] ZINC000363935502 262040323 /nfs/dbraw/zinc/04/03/23/262040323.db2.gz BPMCGOJUKIXVLT-ZDUSSCGKSA-N 0 3 287.363 2.161 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)c([O-])c1 ZINC000185332880 262050618 /nfs/dbraw/zinc/05/06/18/262050618.db2.gz SXJSTFRJZYLJHN-LBPRGKRZSA-N 0 3 278.352 2.194 20 10 CECDHN CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1=O ZINC000186048825 262077195 /nfs/dbraw/zinc/07/71/95/262077195.db2.gz DXLLWGGYJQNATR-MFKMUULPSA-N 0 3 280.343 2.191 20 10 CECDHN CCNC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2[O-])C1 ZINC000186109451 262080092 /nfs/dbraw/zinc/08/00/92/262080092.db2.gz LVNIOANKYQMDTD-OLZOCXBDSA-N 0 3 291.395 2.155 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000186443155 262093612 /nfs/dbraw/zinc/09/36/12/262093612.db2.gz IIUHGQFNEBRJST-NWDGAFQWSA-N 0 3 278.352 2.274 20 10 CECDHN CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)c1ccccc1[O-] ZINC000186196031 262312868 /nfs/dbraw/zinc/31/28/68/262312868.db2.gz FRPGZODYRGWMFZ-HIFRSBDPSA-N 0 3 267.369 2.220 20 10 CECDHN CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1ccccc1[O-] ZINC000186196012 262313016 /nfs/dbraw/zinc/31/30/16/262313016.db2.gz FRPGZODYRGWMFZ-ZFWWWQNUSA-N 0 3 267.369 2.220 20 10 CECDHN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599274 263117612 /nfs/dbraw/zinc/11/76/12/263117612.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 0 3 266.360 2.303 20 10 CECDHN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290599274 263117613 /nfs/dbraw/zinc/11/76/13/263117613.db2.gz VUXCMXPXPHQSAF-BXUZGUMPSA-N 0 3 266.360 2.303 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)cc1C ZINC000369227090 267227591 /nfs/dbraw/zinc/22/75/91/267227591.db2.gz XWROIYWJLRYCCN-GJZGRUSLSA-N 0 3 288.391 2.252 20 10 CECDHN COC(=O)N1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295962252 277333587 /nfs/dbraw/zinc/33/35/87/277333587.db2.gz MCWOWEPKKXMGEQ-CYBMUJFWSA-N 0 3 290.363 2.200 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000527955036 313219980 /nfs/dbraw/zinc/21/99/80/313219980.db2.gz LRMWPKTXJOIWAA-QEGRKFQGSA-N 0 3 295.354 2.209 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000529636684 328591914 /nfs/dbraw/zinc/59/19/14/328591914.db2.gz GSSICWUDIQUCKB-NSHDSACASA-N 0 3 253.317 2.438 20 10 CECDHN CCn1nncc1CN[C@@H](C)c1ccc(C)c(C)c1O ZINC000527919186 330295503 /nfs/dbraw/zinc/29/55/03/330295503.db2.gz FNEQJLAWQMMHET-LBPRGKRZSA-N 0 3 274.368 2.471 20 10 CECDHN COCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000081708034 330352102 /nfs/dbraw/zinc/35/21/02/330352102.db2.gz NBIWOEVZHJPEJJ-GHMZBOCLSA-N 0 3 253.342 2.476 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN3CCC[C@H]3CO2)c([O-])c1 ZINC000252538502 334382210 /nfs/dbraw/zinc/38/22/10/334382210.db2.gz AQEPXKZNEPWJBO-KKUMJFAQSA-N 0 3 290.407 2.214 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)c2ccsc2)c1[O-] ZINC000219090419 333141367 /nfs/dbraw/zinc/14/13/67/333141367.db2.gz CKOZIGHQGYVDFR-LBPRGKRZSA-N 0 3 279.361 2.286 20 10 CECDHN CCOc1cccc(C[NH2+][C@](C)(CC)CCO)c1[O-] ZINC000230222876 333315880 /nfs/dbraw/zinc/31/58/80/333315880.db2.gz QSEGVBAZWRONSR-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1[O-] ZINC000230315196 333316299 /nfs/dbraw/zinc/31/62/99/333316299.db2.gz BNADWILIVRETDL-XJKSGUPXSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(F)ccc1[O-] ZINC000230661676 333320112 /nfs/dbraw/zinc/32/01/12/333320112.db2.gz LAVOPLCGNWKEDS-LLVKDONJSA-N 0 3 284.400 2.231 20 10 CECDHN CCOc1cccc(C[NH2+]CC(C)(C)CCO)c1[O-] ZINC000231403502 333324928 /nfs/dbraw/zinc/32/49/28/333324928.db2.gz VQYFJDQPSVKDPU-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN C[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000251573019 334364398 /nfs/dbraw/zinc/36/43/98/334364398.db2.gz CBSUAOHFZPUPPT-ZFWWWQNUSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000251573019 334364400 /nfs/dbraw/zinc/36/44/00/334364400.db2.gz CBSUAOHFZPUPPT-ZFWWWQNUSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000272653087 334755256 /nfs/dbraw/zinc/75/52/56/334755256.db2.gz QDKXUGQSFOVANK-QWRGUYRKSA-N 0 3 253.317 2.436 20 10 CECDHN CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000280282053 521743865 /nfs/dbraw/zinc/74/38/65/521743865.db2.gz YOIBUOJHZHJGIK-DGCLKSJQSA-N 0 3 264.369 2.266 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000279915819 519553447 /nfs/dbraw/zinc/55/34/47/519553447.db2.gz WZVNKNIILPWZPG-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC(C)OC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000072629635 519744914 /nfs/dbraw/zinc/74/49/14/519744914.db2.gz PKMDBYUSOULSNI-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN CC(C)OC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000072629635 519744916 /nfs/dbraw/zinc/74/49/16/519744916.db2.gz PKMDBYUSOULSNI-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN CC1(C)CCC[C@]1(O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000293104973 520364458 /nfs/dbraw/zinc/36/44/58/520364458.db2.gz YAFAUHFZHXLKAU-INIZCTEOSA-N 0 3 293.363 2.152 20 10 CECDHN CCN(CC)[C@H](C)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000279640683 520858459 /nfs/dbraw/zinc/85/84/59/520858459.db2.gz JDRFFKLGPAWKNA-GFCCVEGCSA-N 0 3 266.385 2.221 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2CCCCNC2=O)cc1 ZINC000036976605 520911152 /nfs/dbraw/zinc/91/11/52/520911152.db2.gz NVPOBXIHFFCKMB-INIZCTEOSA-N 0 3 289.423 2.291 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000280599187 521150050 /nfs/dbraw/zinc/15/00/50/521150050.db2.gz JEFCUFNVABEGFT-HXUWFJFHSA-N 0 3 297.420 2.182 20 10 CECDHN CN(C)[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCSC1 ZINC000297507179 522063499 /nfs/dbraw/zinc/06/34/99/522063499.db2.gz CIXRNGJQIVTLAC-CZUORRHYSA-N 0 3 292.448 2.406 20 10 CECDHN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000045656218 522205873 /nfs/dbraw/zinc/20/58/73/522205873.db2.gz UIWNBNQOJSPKRQ-QWRGUYRKSA-N 0 3 253.342 2.334 20 10 CECDHN CC[C@H]([NH2+]Cc1cccc(OC)c1[O-])C(C)(C)O ZINC000292929978 522654696 /nfs/dbraw/zinc/65/46/96/522654696.db2.gz GWSSZZGIZBJFCD-LBPRGKRZSA-N 0 3 253.342 2.040 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1[O-] ZINC000037782114 522732701 /nfs/dbraw/zinc/73/27/01/522732701.db2.gz WGCDHYYFCQWVOX-OCCSQVGLSA-N 0 3 276.380 2.444 20 10 CECDHN CC[C@@H]([NH2+]CCc1nc(C)no1)c1ccccc1[O-] ZINC000156480941 522845409 /nfs/dbraw/zinc/84/54/09/522845409.db2.gz OONYHMRNGNMUOE-GFCCVEGCSA-N 0 3 261.325 2.367 20 10 CECDHN Cc1cccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279607287 524404519 /nfs/dbraw/zinc/40/45/19/524404519.db2.gz FFYMFZSTCKQPPT-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000290808213 524755721 /nfs/dbraw/zinc/75/57/21/524755721.db2.gz FWSQKRUKFDTUHZ-CQSZACIVSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCCO)c1 ZINC000094941814 524765563 /nfs/dbraw/zinc/76/55/63/524765563.db2.gz ANWWKFZPSRKPCU-WDEREUQCSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCN2CCCOCC2)c1[O-] ZINC000289489874 524868726 /nfs/dbraw/zinc/86/87/26/524868726.db2.gz RKZAZSMLGHIDCV-UHFFFAOYSA-N 0 3 298.814 2.166 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280200223 524869029 /nfs/dbraw/zinc/86/90/29/524869029.db2.gz BGRWLRKZCUFOLT-YPMHNXCESA-N 0 3 299.798 2.089 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000289439185 524869842 /nfs/dbraw/zinc/86/98/42/524869842.db2.gz LTABAQYHAOLIGI-GFCCVEGCSA-N 0 3 255.745 2.215 20 10 CECDHN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617557 524960804 /nfs/dbraw/zinc/96/08/04/524960804.db2.gz GNYIBNMUYZJYDL-QWRGUYRKSA-N 0 3 263.316 2.467 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000279709351 525341942 /nfs/dbraw/zinc/34/19/42/525341942.db2.gz SHXYKRFMWVMQMO-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN C[S@@](=O)C1(CNCc2ccc3c(c2)CCO3)CCC1 ZINC000280664845 525360055 /nfs/dbraw/zinc/36/00/55/525360055.db2.gz PHNBBPPVIOHCNE-LJQANCHMSA-N 0 3 279.405 2.012 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278491899 525363205 /nfs/dbraw/zinc/36/32/05/525363205.db2.gz PQPYAHZMLYNQNR-AWEZNQCLSA-N 0 3 290.407 2.216 20 10 CECDHN C[C@@H](N[C@@H](C)C(=O)N(C)C)c1cc2c(cc1O)CCCC2 ZINC000189000999 525588296 /nfs/dbraw/zinc/58/82/96/525588296.db2.gz DQISIRQHNGWMGA-NEPJUHHUSA-N 0 3 290.407 2.398 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000189000999 525588299 /nfs/dbraw/zinc/58/82/99/525588299.db2.gz DQISIRQHNGWMGA-NEPJUHHUSA-N 0 3 290.407 2.398 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1[O-] ZINC000237213629 526020160 /nfs/dbraw/zinc/02/01/60/526020160.db2.gz VGRSMBQUDJUETH-AWEZNQCLSA-N 0 3 291.322 2.363 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000187259460 526159979 /nfs/dbraw/zinc/15/99/79/526159979.db2.gz WSIIXGHUUHXWOV-DTWKUNHWSA-N 0 3 288.185 2.495 20 10 CECDHN O=C(NCC[NH2+][C@H]1CCc2cccc([O-])c21)c1ccccc1 ZINC000297890072 526337137 /nfs/dbraw/zinc/33/71/37/526337137.db2.gz VMDUHYXQXSSAAO-HNNXBMFYSA-N 0 3 296.370 2.399 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282984393 526374869 /nfs/dbraw/zinc/37/48/69/526374869.db2.gz ZVWRJXZTACDRNA-GDBMZVCRSA-N 0 3 291.391 2.050 20 10 CECDHN CN(C)[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738143192 574487528 /nfs/dbraw/zinc/48/75/28/574487528.db2.gz JTOXUVUUOGHSDB-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN CN(C)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000738143192 574487529 /nfs/dbraw/zinc/48/75/29/574487529.db2.gz JTOXUVUUOGHSDB-CQSZACIVSA-N 0 3 285.391 2.466 20 10 CECDHN CC(C)[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731865829 574604213 /nfs/dbraw/zinc/60/42/13/574604213.db2.gz SYSKHYXZGBAGEN-UHFFFAOYSA-N 0 3 268.382 2.056 20 10 CECDHN C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870016 574604502 /nfs/dbraw/zinc/60/45/02/574604502.db2.gz HVWYFBYIDGDIAR-QWRGUYRKSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870016 574604503 /nfs/dbraw/zinc/60/45/03/574604503.db2.gz HVWYFBYIDGDIAR-QWRGUYRKSA-N 0 3 282.409 2.304 20 10 CECDHN COc1ccc(O)c(CNCc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000753568362 575330399 /nfs/dbraw/zinc/33/03/99/575330399.db2.gz OPTRRFGPSHFIES-UHFFFAOYSA-N 0 3 299.330 2.273 20 10 CECDHN C[C@@H]1C[C@@H]1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257425 623331279 /nfs/dbraw/zinc/33/12/79/623331279.db2.gz HBCSCXWJNPQPPY-KCXAZCMYSA-N 0 3 289.423 2.128 20 10 CECDHN CC[N@@H+](Cc1ccc(OC)c(OC)c1[O-])C[C@@H]1CCOC1 ZINC000891659230 623871668 /nfs/dbraw/zinc/87/16/68/623871668.db2.gz GUHMLLVKZOBBLX-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN CC[N@H+](Cc1ccc(OC)c(OC)c1[O-])C[C@@H]1CCOC1 ZINC000891659230 623871681 /nfs/dbraw/zinc/87/16/81/623871681.db2.gz GUHMLLVKZOBBLX-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN COc1ccc(CN2CCSC[C@H]2C)c(O)c1OC ZINC000892046715 624274358 /nfs/dbraw/zinc/27/43/58/624274358.db2.gz WRLAZUQCZBXITI-SNVBAGLBSA-N 0 3 283.393 2.347 20 10 CECDHN CC[C@@H]([NH2+]CCc1cn(C)cn1)c1ccccc1[O-] ZINC000313267522 628585603 /nfs/dbraw/zinc/58/56/03/628585603.db2.gz KLJHMVZCTMEFHZ-CQSZACIVSA-N 0 3 259.353 2.409 20 10 CECDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])CC[C@@H]1[NH3+] ZINC000220184763 628823434 /nfs/dbraw/zinc/82/34/34/628823434.db2.gz IZVLXPOCYRRLKS-SKDRFNHKSA-N 0 3 299.212 2.324 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)c([O-])c1 ZINC000894185479 629197512 /nfs/dbraw/zinc/19/75/12/629197512.db2.gz OSEOCBHPKCDYNA-AZGDMVHKSA-N 0 3 289.375 2.304 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1c([O-])cccc1OC ZINC000796455837 629909442 /nfs/dbraw/zinc/90/94/42/629909442.db2.gz ZQQLRJWTVOXNAO-UHFFFAOYSA-N 0 3 281.352 2.080 20 10 CECDHN C[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797069551 630124452 /nfs/dbraw/zinc/12/44/52/630124452.db2.gz GDJFSHNIVSOAGX-QWRGUYRKSA-N 0 3 283.393 2.009 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845119 630368779 /nfs/dbraw/zinc/36/87/79/630368779.db2.gz NFOVRPMKYOBSAB-DOMZBBRYSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895845119 630368782 /nfs/dbraw/zinc/36/87/82/630368782.db2.gz NFOVRPMKYOBSAB-DOMZBBRYSA-N 0 3 277.364 2.402 20 10 CECDHN Cc1nc([C@@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)no1 ZINC000896233919 630504814 /nfs/dbraw/zinc/50/48/14/630504814.db2.gz ZNILDKYRSXCCCH-GFCCVEGCSA-N 0 3 273.336 2.382 20 10 CECDHN Cc1nc([C@@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)no1 ZINC000896233919 630504815 /nfs/dbraw/zinc/50/48/15/630504815.db2.gz ZNILDKYRSXCCCH-GFCCVEGCSA-N 0 3 273.336 2.382 20 10 CECDHN C[C@@]1([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397031 630552726 /nfs/dbraw/zinc/55/27/26/630552726.db2.gz ULMKPOOOAGFNJA-CJNGLKHVSA-N 0 3 290.363 2.103 20 10 CECDHN C[C@@]1([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397031 630552729 /nfs/dbraw/zinc/55/27/29/630552729.db2.gz ULMKPOOOAGFNJA-CJNGLKHVSA-N 0 3 290.363 2.103 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896586197 630604974 /nfs/dbraw/zinc/60/49/74/630604974.db2.gz XEFYOSZBPCQRFL-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCO[C@@H](C)CC1 ZINC000896586197 630604975 /nfs/dbraw/zinc/60/49/75/630604975.db2.gz XEFYOSZBPCQRFL-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)c([O-])c1 ZINC000824695749 635479007 /nfs/dbraw/zinc/47/90/07/635479007.db2.gz BZELSQNMZDPCPS-NSHDSACASA-N 0 3 267.369 2.430 20 10 CECDHN Cc1ccc(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c([O-])c1 ZINC000897020388 630882552 /nfs/dbraw/zinc/88/25/52/630882552.db2.gz VBLSTANJMHXSQV-AWEZNQCLSA-N 0 3 290.363 2.021 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897388300 631272074 /nfs/dbraw/zinc/27/20/74/631272074.db2.gz AYDBNPJKUPELSP-XHDPSFHLSA-N 0 3 263.312 2.333 20 10 CECDHN C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CN1 ZINC000863483991 631560133 /nfs/dbraw/zinc/56/01/33/631560133.db2.gz GECSVRRHAJEBPY-ONGXEEELSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@H]1CC[C@H](NCc2cccc(Cl)c2[O-])C[NH2+]1 ZINC000863483991 631560139 /nfs/dbraw/zinc/56/01/39/631560139.db2.gz GECSVRRHAJEBPY-ONGXEEELSA-N 0 3 254.761 2.276 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000809757241 632141695 /nfs/dbraw/zinc/14/16/95/632141695.db2.gz LNCVVPLDMGXFMK-GFCCVEGCSA-N 0 3 287.363 2.124 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000809757241 632141701 /nfs/dbraw/zinc/14/17/01/632141701.db2.gz LNCVVPLDMGXFMK-GFCCVEGCSA-N 0 3 287.363 2.124 20 10 CECDHN CC(C)OC[C@@H](CO)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000809768074 632143598 /nfs/dbraw/zinc/14/35/98/632143598.db2.gz BMXCXXHRUSPZRY-CQSZACIVSA-N 0 3 298.402 2.109 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1ccc(C)cc1[O-] ZINC000927125572 632472768 /nfs/dbraw/zinc/47/27/68/632472768.db2.gz AEFLQSGFOYWOGQ-CJNGLKHVSA-N 0 3 289.379 2.208 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000815147655 632972613 /nfs/dbraw/zinc/97/26/13/632972613.db2.gz UVNDKILZTXBYFT-INIZCTEOSA-N 0 3 279.380 2.432 20 10 CECDHN O=C1CC[C@@H]2C[N@H+](Cc3ccc4ccccc4c3[O-])CCN12 ZINC000816499608 633402276 /nfs/dbraw/zinc/40/22/76/633402276.db2.gz VLFWOEUZQGZOKM-OAHLLOKOSA-N 0 3 296.370 2.352 20 10 CECDHN O=C1CC[C@@H]2C[N@@H+](Cc3ccc4ccccc4c3[O-])CCN12 ZINC000816499608 633402279 /nfs/dbraw/zinc/40/22/79/633402279.db2.gz VLFWOEUZQGZOKM-OAHLLOKOSA-N 0 3 296.370 2.352 20 10 CECDHN CC[C@H](NC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817955640 633799923 /nfs/dbraw/zinc/79/99/23/633799923.db2.gz DIKCWLMDAPWCST-NSHDSACASA-N 0 3 274.286 2.424 20 10 CECDHN C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817984679 633826164 /nfs/dbraw/zinc/82/61/64/633826164.db2.gz XHCDINJMQCJRCB-MWLCHTKSSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817984679 633826173 /nfs/dbraw/zinc/82/61/73/633826173.db2.gz XHCDINJMQCJRCB-MWLCHTKSSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]2O)c2c1c(F)ccc2[O-] ZINC000818357985 633914966 /nfs/dbraw/zinc/91/49/66/633914966.db2.gz MKQIJUMPITXDPI-AYHFEMFVSA-N 0 3 251.301 2.193 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)Cc1c[nH]cn1 ZINC000901054453 633940865 /nfs/dbraw/zinc/94/08/65/633940865.db2.gz XNCLWNAHRXXUJC-UHFFFAOYSA-N 0 3 273.336 2.097 20 10 CECDHN C[NH2+]C[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000903530132 635161698 /nfs/dbraw/zinc/16/16/98/635161698.db2.gz QZYJYCBMJWWGEE-AWEZNQCLSA-N 0 3 294.370 2.308 20 10 CECDHN COc1ccc(CNCc2cc(N)ccn2)cc1C ZINC000903949586 635381719 /nfs/dbraw/zinc/38/17/19/635381719.db2.gz CNVIPLRNCIVBAI-UHFFFAOYSA-N 0 3 257.337 2.271 20 10 CECDHN N[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000904462629 635635351 /nfs/dbraw/zinc/63/53/51/635635351.db2.gz XTVGOVJOYCPDQS-GDBMZVCRSA-N 0 3 254.333 2.107 20 10 CECDHN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(C)c1[O-])[C@@H]1CCOC1 ZINC000826822257 635855153 /nfs/dbraw/zinc/85/51/53/635855153.db2.gz OKXMCBWLTSOWJQ-RISCZKNCSA-N 0 3 299.798 2.495 20 10 CECDHN CC(C)[C@@H](C(=O)N[C@H](C)c1ccccc1O)N(C)C ZINC000827937295 636464001 /nfs/dbraw/zinc/46/40/01/636464001.db2.gz QVVGPYDZIXDCEA-RISCZKNCSA-N 0 3 264.369 2.156 20 10 CECDHN CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000828491262 636609785 /nfs/dbraw/zinc/60/97/85/636609785.db2.gz XWYWDELAZHTDRN-GHMZBOCLSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@H+]1CC[C@@H](N(C)C(=O)c2cc([O-])cs2)C[C@H]1C ZINC000828491262 636609794 /nfs/dbraw/zinc/60/97/94/636609794.db2.gz XWYWDELAZHTDRN-GHMZBOCLSA-N 0 3 282.409 2.399 20 10 CECDHN CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000828595022 636637810 /nfs/dbraw/zinc/63/78/10/636637810.db2.gz FRGAFUWCNLUVGI-JQWIXIFHSA-N 0 3 282.409 2.256 20 10 CECDHN CC[N@H+]1CC[C@H](N(C)C(=O)c2cc([O-])cs2)[C@@H](C)C1 ZINC000828595022 636637813 /nfs/dbraw/zinc/63/78/13/636637813.db2.gz FRGAFUWCNLUVGI-JQWIXIFHSA-N 0 3 282.409 2.256 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512024 650296935 /nfs/dbraw/zinc/29/69/35/650296935.db2.gz DLUQOEKPETXAIK-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876512024 650296937 /nfs/dbraw/zinc/29/69/37/650296937.db2.gz DLUQOEKPETXAIK-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CCCOC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000908460457 637351643 /nfs/dbraw/zinc/35/16/43/637351643.db2.gz ULEIIKINFJDFAQ-HNNXBMFYSA-N 0 3 293.411 2.492 20 10 CECDHN C[C@@H](N[C@@H]1COC[C@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000834898156 637981211 /nfs/dbraw/zinc/98/12/11/637981211.db2.gz ZWULAFDTGHWKSX-KBRIMQKVSA-N 0 3 290.407 2.087 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC(=O)N2)c2c1c(F)ccc2[O-] ZINC000834909430 637984644 /nfs/dbraw/zinc/98/46/44/637984644.db2.gz RLWKKRBDSSANQA-SEFYAATASA-N 0 3 292.354 2.338 20 10 CECDHN CCc1nc(CNCC=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000835054314 638041076 /nfs/dbraw/zinc/04/10/76/638041076.db2.gz JNYFGDLDVALJBK-WAYWQWQTSA-N 0 3 285.395 2.236 20 10 CECDHN CCOc1cccc(C[N@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076377 638050068 /nfs/dbraw/zinc/05/00/68/638050068.db2.gz OZTIAKWFSBTMSM-UHFFFAOYSA-N 0 3 294.395 2.249 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C2CCN(OC)CC2)c1[O-] ZINC000835076377 638050071 /nfs/dbraw/zinc/05/00/71/638050071.db2.gz OZTIAKWFSBTMSM-UHFFFAOYSA-N 0 3 294.395 2.249 20 10 CECDHN Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000876798827 650437765 /nfs/dbraw/zinc/43/77/65/650437765.db2.gz PSIJXIXWHNBZDC-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c([O-])c1 ZINC000876798827 650437767 /nfs/dbraw/zinc/43/77/67/650437767.db2.gz PSIJXIXWHNBZDC-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[NH2+]CCC(=O)N2CCCCC2)c([O-])c1 ZINC000876942718 650498393 /nfs/dbraw/zinc/49/83/93/650498393.db2.gz CIPLFQYMDBYINP-UHFFFAOYSA-N 0 3 276.380 2.193 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876945194 650499418 /nfs/dbraw/zinc/49/94/18/650499418.db2.gz VMCWNLDWFZGHGC-LBPRGKRZSA-N 0 3 264.369 2.095 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(CC(N)=O)C1CCCC1 ZINC000840910766 639583274 /nfs/dbraw/zinc/58/32/74/639583274.db2.gz RLFLUAXOQDIDGM-UHFFFAOYSA-N 0 3 289.423 2.291 20 10 CECDHN CC(C)[C@H](N)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841030528 639622379 /nfs/dbraw/zinc/62/23/79/639622379.db2.gz MKMCBXPARPOERB-LLVKDONJSA-N 0 3 260.740 2.258 20 10 CECDHN CC(C)[C@H]([NH3+])CNCc1cc(Cl)cc(F)c1[O-] ZINC000841030528 639622382 /nfs/dbraw/zinc/62/23/82/639622382.db2.gz MKMCBXPARPOERB-LLVKDONJSA-N 0 3 260.740 2.258 20 10 CECDHN [O-]c1cccc(Cl)c1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032210 639624224 /nfs/dbraw/zinc/62/42/24/639624224.db2.gz AMSFSGSCTHXMHR-JTQLQIEISA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCCN1 ZINC000841032957 639625262 /nfs/dbraw/zinc/62/52/62/639625262.db2.gz KRBCJSJXVNNPNO-NSHDSACASA-N 0 3 254.761 2.277 20 10 CECDHN [O-]c1c(Cl)cccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032957 639625266 /nfs/dbraw/zinc/62/52/66/639625266.db2.gz KRBCJSJXVNNPNO-NSHDSACASA-N 0 3 254.761 2.277 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCc2ccc(N)cc2)n1 ZINC000841037174 639628655 /nfs/dbraw/zinc/62/86/55/639628655.db2.gz YWWHFMHHZJCSSW-UHFFFAOYSA-N 0 3 257.337 2.010 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1 ZINC000841061543 639638476 /nfs/dbraw/zinc/63/84/76/639638476.db2.gz JYCXQJKCLMUKCL-MWLCHTKSSA-N 0 3 299.212 2.385 20 10 CECDHN CC(=O)N1CCC(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877010329 650530490 /nfs/dbraw/zinc/53/04/90/650530490.db2.gz UOQAXMBQXJFQMJ-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000877057883 650552638 /nfs/dbraw/zinc/55/26/38/650552638.db2.gz QVUBIBKLABRKQX-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN NC(=O)C1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000312808653 640151594 /nfs/dbraw/zinc/15/15/94/640151594.db2.gz LINAODUNXCGSOV-WXRRBKDZSA-N 0 3 274.364 2.013 20 10 CECDHN CC[C@@H]([NH2+]CCCc1ncn(C)n1)c1ccccc1[O-] ZINC000842902232 640217098 /nfs/dbraw/zinc/21/70/98/640217098.db2.gz MNEDFVQGNXLTKI-CYBMUJFWSA-N 0 3 274.368 2.194 20 10 CECDHN C[C@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000842918088 640221237 /nfs/dbraw/zinc/22/12/37/640221237.db2.gz YTSLUASGWVWKKL-LRDDRELGSA-N 0 3 279.380 2.220 20 10 CECDHN Cc1ccc(C[NH2+]CCCNC(=O)C2CCC2)c([O-])c1 ZINC000877082065 650563640 /nfs/dbraw/zinc/56/36/40/650563640.db2.gz MOQHTWLJFTZRMB-UHFFFAOYSA-N 0 3 276.380 2.097 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843124931 640290548 /nfs/dbraw/zinc/29/05/48/640290548.db2.gz QARHSWVYWUCPIF-SNVBAGLBSA-N 0 3 276.714 2.085 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2[C@H](C)[NH3+])c1[O-] ZINC000843346102 640397372 /nfs/dbraw/zinc/39/73/72/640397372.db2.gz LSVAJBNEGJGCIP-ZUZCIYMTSA-N 0 3 294.370 2.436 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843353952 640400319 /nfs/dbraw/zinc/40/03/19/640400319.db2.gz RUQGEWPQYLFFLR-CMPLNLGQSA-N 0 3 294.370 2.293 20 10 CECDHN CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(CN)C2CC2)c1[O-] ZINC000843355960 640401479 /nfs/dbraw/zinc/40/14/79/640401479.db2.gz OJSMMLYKAOGSQE-OAHLLOKOSA-N 0 3 296.798 2.465 20 10 CECDHN CC(C)(C)N1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1=O ZINC000843416860 640420821 /nfs/dbraw/zinc/42/08/21/640420821.db2.gz YYGHBMASUHXQHZ-LBPRGKRZSA-N 0 3 280.343 2.020 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313018 640673187 /nfs/dbraw/zinc/67/31/87/640673187.db2.gz PQQFNDNHZGFSAY-TZMCWYRMSA-N 0 3 290.363 2.416 20 10 CECDHN Cc1ccc(C[NH+]2CCC(CC(=O)N(C)C)CC2)c([O-])c1 ZINC000877189946 650618343 /nfs/dbraw/zinc/61/83/43/650618343.db2.gz WXZDHRQDYLPNKT-UHFFFAOYSA-N 0 3 290.407 2.391 20 10 CECDHN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846017897 641153592 /nfs/dbraw/zinc/15/35/92/641153592.db2.gz RBXUQBSZSORFCQ-GXFFZTMASA-N 0 3 255.333 2.418 20 10 CECDHN COC(=O)CC1(NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000846026623 641155426 /nfs/dbraw/zinc/15/54/26/641155426.db2.gz GQYDUYBNEYGSIT-UHFFFAOYSA-N 0 3 280.343 2.077 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C1CC1 ZINC000846122362 641194133 /nfs/dbraw/zinc/19/41/33/641194133.db2.gz HYYSXANSEKSSMS-UONOGXRCSA-N 0 3 275.348 2.023 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C1CC1 ZINC000846122362 641194136 /nfs/dbraw/zinc/19/41/36/641194136.db2.gz HYYSXANSEKSSMS-UONOGXRCSA-N 0 3 275.348 2.023 20 10 CECDHN CCN(CC)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472335 641310001 /nfs/dbraw/zinc/31/00/01/641310001.db2.gz IEWLVRGBZVBRBY-UHFFFAOYSA-N 0 3 270.760 2.004 20 10 CECDHN C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC000179874074 641388499 /nfs/dbraw/zinc/38/84/99/641388499.db2.gz IALLMQMISAYQPR-LLVKDONJSA-N 0 3 270.332 2.342 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000850341140 642672015 /nfs/dbraw/zinc/67/20/15/642672015.db2.gz AEBWTCWDICUZJG-SNVBAGLBSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000850379380 642691245 /nfs/dbraw/zinc/69/12/45/642691245.db2.gz NGDWCYLAYXDALV-NEPJUHHUSA-N 0 3 265.353 2.448 20 10 CECDHN CC(C)(C)N1C[C@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000850397378 642699594 /nfs/dbraw/zinc/69/95/94/642699594.db2.gz WXIBIGFIIKQNKO-LBPRGKRZSA-N 0 3 276.380 2.129 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCOC1 ZINC000850484289 642729005 /nfs/dbraw/zinc/72/90/05/642729005.db2.gz GKEYJPUYBQXPCU-SLEUVZQESA-N 0 3 265.353 2.094 20 10 CECDHN O=c1[nH]cccc1CNCc1ccc2c(c1)CCCO2 ZINC000922295895 643010043 /nfs/dbraw/zinc/01/00/43/643010043.db2.gz QBIABVCDPMHAGO-UHFFFAOYSA-N 0 3 270.332 2.402 20 10 CECDHN CCOCc1cc(CN[C@H](C)C(OC)OC)ccc1OC ZINC000922312163 643020401 /nfs/dbraw/zinc/02/04/01/643020401.db2.gz TWEKCOGZBSHOHM-GFCCVEGCSA-N 0 3 297.395 2.329 20 10 CECDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C1CCOCC1 ZINC000877623190 650818929 /nfs/dbraw/zinc/81/89/29/650818929.db2.gz YYIJRJSMHRVGLS-HNNXBMFYSA-N 0 3 279.380 2.232 20 10 CECDHN Cc1ccc(CN[C@@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000877648223 650832034 /nfs/dbraw/zinc/83/20/34/650832034.db2.gz MGWWEUVNGZAUFZ-KRWDZBQOSA-N 0 3 287.359 2.404 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCC(C)CC1 ZINC000853092510 643650014 /nfs/dbraw/zinc/65/00/14/643650014.db2.gz WHWMQGIMRZGOPU-UHFFFAOYSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc(CNCc2c(C)noc2C)c1O ZINC000112017511 644016764 /nfs/dbraw/zinc/01/67/64/644016764.db2.gz BBQICGSPKQSZCG-UHFFFAOYSA-N 0 3 262.309 2.295 20 10 CECDHN CC1(C)C[C@@H](O)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877753021 650897113 /nfs/dbraw/zinc/89/71/13/650897113.db2.gz VDUHEXKDBAAJPI-GFCCVEGCSA-N 0 3 253.317 2.124 20 10 CECDHN CC1(C)C[C@@H](O)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877753021 650897114 /nfs/dbraw/zinc/89/71/14/650897114.db2.gz VDUHEXKDBAAJPI-GFCCVEGCSA-N 0 3 253.317 2.124 20 10 CECDHN CCn1nnc(C)c1CN[C@@H](C)c1ccccc1O ZINC000877758086 650900102 /nfs/dbraw/zinc/90/01/02/650900102.db2.gz IHWNFWUYKBCVJA-JTQLQIEISA-N 0 3 260.341 2.163 20 10 CECDHN CCn1nnc(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877758086 650900104 /nfs/dbraw/zinc/90/01/04/650900104.db2.gz IHWNFWUYKBCVJA-JTQLQIEISA-N 0 3 260.341 2.163 20 10 CECDHN CC[C@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839513357 644240412 /nfs/dbraw/zinc/24/04/12/644240412.db2.gz XDMMPFFWSDFQJF-ZDUSSCGKSA-N 0 3 277.412 2.099 20 10 CECDHN CCc1nncn1CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000756618893 644674919 /nfs/dbraw/zinc/67/49/19/644674919.db2.gz CSJXFFYSZZWBCQ-LBPRGKRZSA-N 0 3 274.368 2.205 20 10 CECDHN C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843058486 644773205 /nfs/dbraw/zinc/77/32/05/644773205.db2.gz UIAHEKIYZLQXAF-VHSXEESVSA-N 0 3 254.761 2.215 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@H](O)C23CCC3)cc1F ZINC000858191878 645084786 /nfs/dbraw/zinc/08/47/86/645084786.db2.gz DMUUFWCSVLDQGD-CABCVRRESA-N 0 3 296.361 2.424 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858205840 645087324 /nfs/dbraw/zinc/08/73/24/645087324.db2.gz CSMGKSFOSZDMRC-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN CC(C)CN(CC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000760172651 645117667 /nfs/dbraw/zinc/11/76/67/645117667.db2.gz NLFJRZOZPLZXMG-UHFFFAOYSA-N 0 3 270.398 2.114 20 10 CECDHN Cc1cc(C2(NCc3ccccc3O)CCOCC2)on1 ZINC000858326003 645119208 /nfs/dbraw/zinc/11/92/08/645119208.db2.gz SRWJSTMRIGAUDP-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN Cc1cc(C)c([C@@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858435366 645158756 /nfs/dbraw/zinc/15/87/56/645158756.db2.gz GRIYFCXEQNROFE-OLZOCXBDSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000858495178 645180833 /nfs/dbraw/zinc/18/08/33/645180833.db2.gz WVKJTSCSYNDFCO-FXPVBKGRSA-N 0 3 282.771 2.269 20 10 CECDHN CC[C@H](N[C@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858586725 645213440 /nfs/dbraw/zinc/21/34/40/645213440.db2.gz JTOREOPWOQPTOA-DOMZBBRYSA-N 0 3 293.411 2.202 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1cc(F)ccc1[O-] ZINC000858602650 645217843 /nfs/dbraw/zinc/21/78/43/645217843.db2.gz FSCBPVWCGMJUID-YGRLFVJLSA-N 0 3 292.354 2.335 20 10 CECDHN CO[C@]1(C[NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000763570480 645558174 /nfs/dbraw/zinc/55/81/74/645558174.db2.gz FEFZJCSOYIJWJQ-XAGWURHQSA-N 0 3 295.354 2.475 20 10 CECDHN C[N@H+](CCCNC(=O)C1CCC1)Cc1cc(F)ccc1[O-] ZINC000763620989 645561801 /nfs/dbraw/zinc/56/18/01/645561801.db2.gz ABYOZUQFWZXPTM-UHFFFAOYSA-N 0 3 294.370 2.270 20 10 CECDHN C[N@@H+](CCCNC(=O)C1CCC1)Cc1cc(F)ccc1[O-] ZINC000763620989 645561807 /nfs/dbraw/zinc/56/18/07/645561807.db2.gz ABYOZUQFWZXPTM-UHFFFAOYSA-N 0 3 294.370 2.270 20 10 CECDHN CO[C@]1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOC1 ZINC000764684591 645674802 /nfs/dbraw/zinc/67/48/02/645674802.db2.gz ZBMYJWDOEPPYSS-AWEZNQCLSA-N 0 3 285.771 2.249 20 10 CECDHN CC(C)[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441714 646122490 /nfs/dbraw/zinc/12/24/90/646122490.db2.gz GPDILEMOADUJQJ-HIFRSBDPSA-N 0 3 277.364 2.438 20 10 CECDHN CC(C)[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441714 646122491 /nfs/dbraw/zinc/12/24/91/646122491.db2.gz GPDILEMOADUJQJ-HIFRSBDPSA-N 0 3 277.364 2.438 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000770279157 646376215 /nfs/dbraw/zinc/37/62/15/646376215.db2.gz FSCQYMXOFAFAMY-WFASDCNBSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000770279157 646376219 /nfs/dbraw/zinc/37/62/19/646376219.db2.gz FSCQYMXOFAFAMY-WFASDCNBSA-N 0 3 295.404 2.107 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285917 646376668 /nfs/dbraw/zinc/37/66/68/646376668.db2.gz LSNBGXOZXUEVOH-JSGCOSHPSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000770285917 646376673 /nfs/dbraw/zinc/37/66/73/646376673.db2.gz LSNBGXOZXUEVOH-JSGCOSHPSA-N 0 3 277.364 2.402 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000770291266 646377218 /nfs/dbraw/zinc/37/72/18/646377218.db2.gz FRMVLVNITDECOV-WFASDCNBSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000770291266 646377221 /nfs/dbraw/zinc/37/72/21/646377221.db2.gz FRMVLVNITDECOV-WFASDCNBSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1 ZINC000862477929 646472844 /nfs/dbraw/zinc/47/28/44/646472844.db2.gz VFRZJJDGZWGGAE-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1 ZINC000862477929 646472848 /nfs/dbraw/zinc/47/28/48/646472848.db2.gz VFRZJJDGZWGGAE-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(N(C)C)cc1 ZINC000772980902 646692234 /nfs/dbraw/zinc/69/22/34/646692234.db2.gz NAHQVCFIONRKGL-CYBMUJFWSA-N 0 3 289.423 2.462 20 10 CECDHN COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2ccccc2[O-])C1 ZINC000775348200 646944225 /nfs/dbraw/zinc/94/42/25/646944225.db2.gz UIFIKCXKQLQCCG-OCCSQVGLSA-N 0 3 292.379 2.349 20 10 CECDHN COC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2ccccc2[O-])C1 ZINC000775348199 646944319 /nfs/dbraw/zinc/94/43/19/646944319.db2.gz UIFIKCXKQLQCCG-JSGCOSHPSA-N 0 3 292.379 2.349 20 10 CECDHN CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000775501088 646960811 /nfs/dbraw/zinc/96/08/11/646960811.db2.gz BRXWFASMBSCOTI-HIFRSBDPSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@@H](NCc1ccnc(N(C)C)n1)c1ccccc1O ZINC000775531640 646963484 /nfs/dbraw/zinc/96/34/84/646963484.db2.gz KBISUSMOUJVJPG-CQSZACIVSA-N 0 3 286.379 2.489 20 10 CECDHN CC[C@@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1[O-] ZINC000775531640 646963485 /nfs/dbraw/zinc/96/34/85/646963485.db2.gz KBISUSMOUJVJPG-CQSZACIVSA-N 0 3 286.379 2.489 20 10 CECDHN C[C@H](NCC(=O)N(C)CC1CC1)c1ccc(N(C)C)cc1 ZINC000775832336 646997242 /nfs/dbraw/zinc/99/72/42/646997242.db2.gz ZBTZLLSGMLYIAM-ZDUSSCGKSA-N 0 3 289.423 2.272 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000778216492 647211743 /nfs/dbraw/zinc/21/17/43/647211743.db2.gz OSOQNJZAKWYOBM-DGCLKSJQSA-N 0 3 265.353 2.042 20 10 CECDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779106252 647289093 /nfs/dbraw/zinc/28/90/93/647289093.db2.gz BACBXJKHLVUVNG-HZMBPMFUSA-N 0 3 253.317 2.436 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c([O-])c1 ZINC000866412906 647778535 /nfs/dbraw/zinc/77/85/35/647778535.db2.gz NSIGRNMUIKHKCH-KGLIPLIRSA-N 0 3 292.423 2.196 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000866466076 647796658 /nfs/dbraw/zinc/79/66/58/647796658.db2.gz YUYLSYJPFRCTQO-RNSXUZJQSA-N 0 3 263.259 2.355 20 10 CECDHN C[NH+](C)Cc1ccc(NC(=O)c2cccc(O)c2[O-])cc1 ZINC000790516883 648425633 /nfs/dbraw/zinc/42/56/33/648425633.db2.gz ZCBIGBVBPNLBHQ-UHFFFAOYSA-N 0 3 286.331 2.412 20 10 CECDHN COc1ccc(C[NH2+]Cc2cnn(C(C)C)c2)c([O-])c1 ZINC000793390405 648749062 /nfs/dbraw/zinc/74/90/62/648749062.db2.gz QMJQBKYKRAUVEO-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN CC(C)(NCc1ccc2c(c1)CCO2)C(=O)N1CCCC1 ZINC000793394807 648749771 /nfs/dbraw/zinc/74/97/71/648749771.db2.gz MAUUDHAUDVEKSX-UHFFFAOYSA-N 0 3 288.391 2.112 20 10 CECDHN COC(=O)[C@H]1[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]21 ZINC000793652540 648785712 /nfs/dbraw/zinc/78/57/12/648785712.db2.gz ANKAMVHFPCOSGR-QLPKVWCKSA-N 0 3 297.354 2.396 20 10 CECDHN COC(=O)[C@H]1[C@@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]21 ZINC000793652540 648785715 /nfs/dbraw/zinc/78/57/15/648785715.db2.gz ANKAMVHFPCOSGR-QLPKVWCKSA-N 0 3 297.354 2.396 20 10 CECDHN C[C@H](NC(=O)[C@@H]1CNCc2ccccc21)c1ccccc1O ZINC000870988276 648971278 /nfs/dbraw/zinc/97/12/78/648971278.db2.gz LEGXVUSLORCYRP-BLLLJJGKSA-N 0 3 296.370 2.456 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N(C)CC(F)(F)F)c1ccccc1[O-] ZINC000879648451 651335058 /nfs/dbraw/zinc/33/50/58/651335058.db2.gz PTDRFRAHGXQNJA-SECBINFHSA-N 0 3 290.285 2.064 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)c1ccccc1[O-] ZINC000879649578 651335469 /nfs/dbraw/zinc/33/54/69/651335469.db2.gz WLEWJUVRPTZGFJ-GHMZBOCLSA-N 0 3 261.321 2.139 20 10 CECDHN CCCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651965 651335949 /nfs/dbraw/zinc/33/59/49/651335949.db2.gz RDYNGXPJHOKLML-NWDGAFQWSA-N 0 3 264.369 2.348 20 10 CECDHN CCCCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653706 651336138 /nfs/dbraw/zinc/33/61/38/651336138.db2.gz TYLCWRQPORWINB-LBPRGKRZSA-N 0 3 264.369 2.349 20 10 CECDHN CCC[C@@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272152 651657800 /nfs/dbraw/zinc/65/78/00/651657800.db2.gz ODQYKKCBXBFJHH-CQSZACIVSA-N 0 3 273.384 2.192 20 10 CECDHN Cc1cc(N(C)C)ccc1CNCc1ccncc1N ZINC000883003237 652318349 /nfs/dbraw/zinc/31/83/49/652318349.db2.gz FRODDTRCSVKCJU-UHFFFAOYSA-N 0 3 270.380 2.328 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(CC2CC2)C1)c1cc(F)ccc1[O-] ZINC000883395360 652454283 /nfs/dbraw/zinc/45/42/83/652454283.db2.gz RWIMCRKRFMBPEH-ZWNOBZJWSA-N 0 3 292.354 2.193 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCC(=O)N2CCCCC2)c1 ZINC000135728307 652984019 /nfs/dbraw/zinc/98/40/19/652984019.db2.gz PBVPUOLPSQXXHM-GFCCVEGCSA-N 0 3 292.379 2.064 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)N(CC)CC)c1ccccc1[O-] ZINC000135734480 652984465 /nfs/dbraw/zinc/98/44/65/652984465.db2.gz BADVZWVISFHGCR-CYBMUJFWSA-N 0 3 264.369 2.301 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCO[C@@H]1CC1(F)F)CC2 ZINC000690723688 802880805 /nfs/dbraw/zinc/88/08/05/802880805.db2.gz BFRBYWQWZNCAIV-ZYHUDNBSSA-N 0 3 269.291 2.393 20 10 CECDHN C[C@@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000723547375 802885628 /nfs/dbraw/zinc/88/56/28/802885628.db2.gz HBPHMDKIZBQWIP-GHMZBOCLSA-N 0 3 280.343 2.050 20 10 CECDHN CC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000037138455 815026290 /nfs/dbraw/zinc/02/62/90/815026290.db2.gz NOIQPXYOKXAHRW-NSHDSACASA-N 0 3 262.353 2.054 20 10 CECDHN Nc1ccc(CN2CCN(c3cccc(O)c3)CC2)cc1 ZINC001120263799 815209440 /nfs/dbraw/zinc/20/94/40/815209440.db2.gz VYQMALIFYLWXFU-UHFFFAOYSA-N 0 3 283.375 2.297 20 10 CECDHN C[C@H](N)C[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715757183 809037504 /nfs/dbraw/zinc/03/75/04/809037504.db2.gz DTACMUQVBAHULO-ZETCQYMHSA-N 0 3 291.164 2.073 20 10 CECDHN C[C@H](N)C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000715757183 809037511 /nfs/dbraw/zinc/03/75/11/809037511.db2.gz DTACMUQVBAHULO-ZETCQYMHSA-N 0 3 291.164 2.073 20 10 CECDHN COc1ccc(C[NH2+]C2CCC(C)(O)CC2)c([O-])c1 ZINC000703549227 809661185 /nfs/dbraw/zinc/66/11/85/809661185.db2.gz OJNORXCUYXTSJC-UHFFFAOYSA-N 0 3 265.353 2.184 20 10 CECDHN CCN1CC[C@H](N[C@@H](C)c2ccc(N(C)C)cc2)C1=O ZINC000708678822 809933145 /nfs/dbraw/zinc/93/31/45/809933145.db2.gz BOVLLJOATXZOBR-WFASDCNBSA-N 0 3 275.396 2.024 20 10 CECDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039855 811348043 /nfs/dbraw/zinc/34/80/43/811348043.db2.gz UWXVJXIZSLICMZ-DGCLKSJQSA-N 0 3 276.336 2.196 20 10 CECDHN O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001169039855 811348052 /nfs/dbraw/zinc/34/80/52/811348052.db2.gz UWXVJXIZSLICMZ-DGCLKSJQSA-N 0 3 276.336 2.196 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cnc(C)n2C)c1 ZINC000689239888 812145039 /nfs/dbraw/zinc/14/50/39/812145039.db2.gz PBCWMBIJNVTWSO-JTQLQIEISA-N 0 3 275.352 2.294 20 10 CECDHN CN1C[C@H]2C[C@@H](C1)[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001276379951 813101813 /nfs/dbraw/zinc/10/18/13/813101813.db2.gz CJJSWURYENGGGM-PWSUYJOCSA-N 0 3 266.772 2.182 20 10 CECDHN CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001276379951 813101818 /nfs/dbraw/zinc/10/18/18/813101818.db2.gz CJJSWURYENGGGM-PWSUYJOCSA-N 0 3 266.772 2.182 20 10 CECDHN COCC(COC)NCc1ccc(N2CCCCC2)cc1 ZINC000388511598 813239950 /nfs/dbraw/zinc/23/99/50/813239950.db2.gz RKFPECFTCABBOJ-UHFFFAOYSA-N 0 3 292.423 2.428 20 10 CECDHN CC(C)(C)OC(=O)N1CC(C[NH2+]Cc2ccccc2[O-])C1 ZINC000397742915 813633348 /nfs/dbraw/zinc/63/33/48/813633348.db2.gz JEMZXVRYUPUZFV-UHFFFAOYSA-N 0 3 292.379 2.349 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)c([O-])c1 ZINC001255611657 813795119 /nfs/dbraw/zinc/79/51/19/813795119.db2.gz RQCPBPGEVUMYOT-STQMWFEESA-N 0 3 265.353 2.448 20 10 CECDHN Oc1cc(O)c(CN2Cc3ccccc3C2)c(O)c1 ZINC001144500095 814090013 /nfs/dbraw/zinc/09/00/13/814090013.db2.gz OTYVJLNVUGGIEY-UHFFFAOYSA-N 0 3 257.289 2.319 20 10 CECDHN CCC[N@H+](Cc1c([O-])cc(O)cc1O)C1CCOCC1 ZINC001144515732 814099801 /nfs/dbraw/zinc/09/98/01/814099801.db2.gz WQBWSRGNXBFOJL-UHFFFAOYSA-N 0 3 281.352 2.194 20 10 CECDHN CCC[N@@H+](Cc1c([O-])cc(O)cc1O)C1CCOCC1 ZINC001144515732 814099804 /nfs/dbraw/zinc/09/98/04/814099804.db2.gz WQBWSRGNXBFOJL-UHFFFAOYSA-N 0 3 281.352 2.194 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCC(CO)CC2)c([O-])c1 ZINC001116585333 814866906 /nfs/dbraw/zinc/86/69/06/814866906.db2.gz XOKPAXCCYNIZQM-CQSZACIVSA-N 0 3 292.423 2.056 20 10 CECDHN CCOC(=O)C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001173635463 815773502 /nfs/dbraw/zinc/77/35/02/815773502.db2.gz DLYRWUXEPRRFGE-AAEUAGOBSA-N 0 3 293.363 2.309 20 10 CECDHN CCOC(=O)C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173636921 815775219 /nfs/dbraw/zinc/77/52/19/815775219.db2.gz PSGAUEIGUVCDQE-WCQYABFASA-N 0 3 293.363 2.309 20 10 CECDHN CCN(CC)c1ccc(CN2CC(N(C)C)C2)c(OC)c1 ZINC001138385901 815784399 /nfs/dbraw/zinc/78/43/99/815784399.db2.gz CPTUGMJFZQBJEY-UHFFFAOYSA-N 0 3 291.439 2.287 20 10 CECDHN Cc1cc(CN2C[C@H]3CC[C@@H](C2)C3=O)ccc1N(C)C ZINC001139673092 816076416 /nfs/dbraw/zinc/07/64/16/816076416.db2.gz PPPVIXMBHKCMOE-GASCZTMLSA-N 0 3 272.392 2.472 20 10 CECDHN CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)ccc1[O-] ZINC001140053706 816177378 /nfs/dbraw/zinc/17/73/78/816177378.db2.gz AJJSMRLVKNQRLL-INIZCTEOSA-N 0 3 292.354 2.118 20 10 CECDHN CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1cc(F)ccc1[O-] ZINC001140053706 816177382 /nfs/dbraw/zinc/17/73/82/816177382.db2.gz AJJSMRLVKNQRLL-INIZCTEOSA-N 0 3 292.354 2.118 20 10 CECDHN Cc1c(O)ccc(CN2CCN(C3CCC3)CC2)c1O ZINC001140742041 816337826 /nfs/dbraw/zinc/33/78/26/816337826.db2.gz ICKJYGIZEXDJPM-UHFFFAOYSA-N 0 3 276.380 2.076 20 10 CECDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140954291 816423706 /nfs/dbraw/zinc/42/37/06/816423706.db2.gz OSIPAMAZQAYVHO-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140954291 816423715 /nfs/dbraw/zinc/42/37/15/816423715.db2.gz OSIPAMAZQAYVHO-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001140957607 816425406 /nfs/dbraw/zinc/42/54/06/816425406.db2.gz DUTRDASOYFYXFS-MRXNPFEDSA-N 0 3 275.348 2.372 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)O3)C2)c([O-])c1 ZINC001140957607 816425407 /nfs/dbraw/zinc/42/54/07/816425407.db2.gz DUTRDASOYFYXFS-MRXNPFEDSA-N 0 3 275.348 2.372 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c(OC)c1 ZINC001141029458 816451359 /nfs/dbraw/zinc/45/13/59/816451359.db2.gz SGXQVJXJXGBMBV-OAHLLOKOSA-N 0 3 295.379 2.145 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c(OC)c1 ZINC001141029458 816451367 /nfs/dbraw/zinc/45/13/67/816451367.db2.gz SGXQVJXJXGBMBV-OAHLLOKOSA-N 0 3 295.379 2.145 20 10 CECDHN CCC1(O)CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143517 816485105 /nfs/dbraw/zinc/48/51/05/816485105.db2.gz CAHBTSXCQRFCAF-UHFFFAOYSA-N 0 3 290.407 2.252 20 10 CECDHN CN1CCOc2cc(CN3CC[C@@H]4CCO[C@H]4C3)ccc21 ZINC001141142616 816485842 /nfs/dbraw/zinc/48/58/42/816485842.db2.gz UWWYUODIYKGXKT-PBHICJAKSA-N 0 3 288.391 2.126 20 10 CECDHN COCCCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000185553733 344509135 /nfs/dbraw/zinc/50/91/35/344509135.db2.gz NDSSJVKDYUQFFB-AWEZNQCLSA-N 0 3 280.412 2.320 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000362044186 344809241 /nfs/dbraw/zinc/80/92/41/344809241.db2.gz HGJHLSUCRQCOLY-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000362044186 344809243 /nfs/dbraw/zinc/80/92/43/344809243.db2.gz HGJHLSUCRQCOLY-CQSZACIVSA-N 0 3 285.391 2.499 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CSC ZINC000187911936 283297440 /nfs/dbraw/zinc/29/74/40/283297440.db2.gz UPISTZVZKFRBTI-ZDUSSCGKSA-N 0 3 269.410 2.328 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CSC ZINC000187911936 283297442 /nfs/dbraw/zinc/29/74/42/283297442.db2.gz UPISTZVZKFRBTI-ZDUSSCGKSA-N 0 3 269.410 2.328 20 10 CECDHN C[C@H](NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425934 299292293 /nfs/dbraw/zinc/29/22/93/299292293.db2.gz UCIDPLQMHOAHJX-LBPRGKRZSA-N 0 3 293.367 2.437 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCO2)c1 ZINC000019963696 361571457 /nfs/dbraw/zinc/57/14/57/361571457.db2.gz CMZGXSDLXSDVGU-PWSUYJOCSA-N 0 3 251.326 2.230 20 10 CECDHN CCOc1ccc(O)c(CN2CCC[C@H](C(=O)OC)C2)c1 ZINC000092643905 364091711 /nfs/dbraw/zinc/09/17/11/364091711.db2.gz QEZBCFHQFPBQCB-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(=O)OC)C2)c1 ZINC000092643905 364091719 /nfs/dbraw/zinc/09/17/19/364091719.db2.gz QEZBCFHQFPBQCB-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](C(=O)OC)C2)c1 ZINC000092643905 364091722 /nfs/dbraw/zinc/09/17/22/364091722.db2.gz QEZBCFHQFPBQCB-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093506640 364193077 /nfs/dbraw/zinc/19/30/77/364193077.db2.gz KORRKFBCILBXLX-TZMCWYRMSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1[O-] ZINC000093506640 364193081 /nfs/dbraw/zinc/19/30/81/364193081.db2.gz KORRKFBCILBXLX-TZMCWYRMSA-N 0 3 277.364 2.402 20 10 CECDHN CN(C)c1ccc(CNC[C@H]2CCCO2)cc1F ZINC000113312836 364888138 /nfs/dbraw/zinc/88/81/38/364888138.db2.gz YYZAQQSDPARTQT-GFCCVEGCSA-N 0 3 252.333 2.160 20 10 CECDHN C[C@H](C[S@](C)=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000168515741 367354908 /nfs/dbraw/zinc/35/49/08/367354908.db2.gz IRNMNHHTHYJJGL-FTLABTOESA-N 0 3 268.426 2.170 20 10 CECDHN CC[C@H](O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000168825963 367361693 /nfs/dbraw/zinc/36/16/93/367361693.db2.gz CGESFSRWTWESEG-MNOVXSKESA-N 0 3 253.342 2.212 20 10 CECDHN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000179888234 368356484 /nfs/dbraw/zinc/35/64/84/368356484.db2.gz UQXQFSRBVAZHAM-QWHCGFSZSA-N 0 3 265.353 2.238 20 10 CECDHN CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000179887921 368357162 /nfs/dbraw/zinc/35/71/62/368357162.db2.gz TXGFZZYLSIYPTH-LBPRGKRZSA-N 0 3 276.380 2.301 20 10 CECDHN CNC(=O)CC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000180378714 368378469 /nfs/dbraw/zinc/37/84/69/368378469.db2.gz YBTJAFCVZUUXPN-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(OC)ccc1[O-] ZINC000180697502 368393961 /nfs/dbraw/zinc/39/39/61/368393961.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 0 3 290.407 2.459 20 10 CECDHN CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)ccc1[O-] ZINC000180697502 368393964 /nfs/dbraw/zinc/39/39/64/368393964.db2.gz QLPBGIJCLVPZIF-CABCVRRESA-N 0 3 290.407 2.459 20 10 CECDHN CCOc1cccc(CN2CC[C@H](OCCOC)C2)c1O ZINC000188812538 369412615 /nfs/dbraw/zinc/41/26/15/369412615.db2.gz SIHWOYAZPNIJAZ-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@H](OCCOC)C2)c1[O-] ZINC000188812538 369412619 /nfs/dbraw/zinc/41/26/19/369412619.db2.gz SIHWOYAZPNIJAZ-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@H](OCCOC)C2)c1[O-] ZINC000188812538 369412623 /nfs/dbraw/zinc/41/26/23/369412623.db2.gz SIHWOYAZPNIJAZ-AWEZNQCLSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188828702 369414974 /nfs/dbraw/zinc/41/49/74/369414974.db2.gz NUQQIBWYSALXNZ-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)OC)c1[O-] ZINC000191202729 369691224 /nfs/dbraw/zinc/69/12/24/369691224.db2.gz AYDNESNGAVHYBV-QMMMGPOBSA-N 0 3 259.733 2.179 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000224929941 370282360 /nfs/dbraw/zinc/28/23/60/370282360.db2.gz QOGSODXYHOWUFA-UKRRQHHQSA-N 0 3 263.337 2.058 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCSC2)c1[O-] ZINC000230705112 370465927 /nfs/dbraw/zinc/46/59/27/370465927.db2.gz OUGAWLJRMNXZSQ-NSHDSACASA-N 0 3 253.367 2.386 20 10 CECDHN COc1ccc(O)c(CN2CCS[C@@H]3COCC[C@H]32)c1 ZINC000252733935 371474743 /nfs/dbraw/zinc/47/47/43/371474743.db2.gz TVSVXVLZPJXEDT-UKRRQHHQSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000252733935 371474746 /nfs/dbraw/zinc/47/47/46/371474746.db2.gz TVSVXVLZPJXEDT-UKRRQHHQSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000252733935 371474750 /nfs/dbraw/zinc/47/47/50/371474750.db2.gz TVSVXVLZPJXEDT-UKRRQHHQSA-N 0 3 295.404 2.107 20 10 CECDHN CC[C@H](C(=O)N(C)Cc1ccccc1O)N(CC)CC ZINC000267349070 372070036 /nfs/dbraw/zinc/07/00/36/372070036.db2.gz GBQSZNHMVQCHMC-CQSZACIVSA-N 0 3 278.396 2.471 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCCCS(C)(=O)=O)cc1 ZINC000268927611 372291114 /nfs/dbraw/zinc/29/11/14/372291114.db2.gz RXIWMPRTUZKZAU-ZDUSSCGKSA-N 0 3 298.452 2.228 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCOC3(CCC3)C1)OCO2 ZINC000268983700 372307318 /nfs/dbraw/zinc/30/73/18/372307318.db2.gz SFQFMXYUOJMCAB-GFCCVEGCSA-N 0 3 291.347 2.312 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000366449957 373051726 /nfs/dbraw/zinc/05/17/26/373051726.db2.gz FZAVJLWYZCDTCS-WMLDXEAASA-N 0 3 291.391 2.471 20 10 CECDHN CCC[N@H+](Cc1cccc(OC)c1[O-])CC(C)(C)O ZINC000271160803 373150447 /nfs/dbraw/zinc/15/04/47/373150447.db2.gz KHQACBCSDHJVGL-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCC[N@@H+](Cc1cccc(OC)c1[O-])CC(C)(C)O ZINC000271160803 373150457 /nfs/dbraw/zinc/15/04/57/373150457.db2.gz KHQACBCSDHJVGL-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309338 373147056 /nfs/dbraw/zinc/14/70/56/373147056.db2.gz VNAGVJYWWAQIGP-XBFCOCLRSA-N 0 3 290.363 2.274 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000367309338 373147062 /nfs/dbraw/zinc/14/70/62/373147062.db2.gz VNAGVJYWWAQIGP-XBFCOCLRSA-N 0 3 290.363 2.274 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000271260285 373185127 /nfs/dbraw/zinc/18/51/27/373185127.db2.gz AJXZIYVRVQDTRB-VXGBXAGGSA-N 0 3 265.353 2.306 20 10 CECDHN COC[C@](C)(CCO)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000271812750 373203904 /nfs/dbraw/zinc/20/39/04/373203904.db2.gz LDPKODUAUGMZID-AWEZNQCLSA-N 0 3 287.787 2.231 20 10 CECDHN COC(=O)[C@@H]1CC12CC[NH+](Cc1ccccc1[O-])CC2 ZINC000272241888 373379553 /nfs/dbraw/zinc/37/95/53/373379553.db2.gz GRYJXGYEQCVLDP-ZDUSSCGKSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000273376079 373754099 /nfs/dbraw/zinc/75/40/99/373754099.db2.gz HHUBEUWUENHTAY-JTQLQIEISA-N 0 3 296.342 2.413 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCS(=O)(=O)C2)c([O-])c1C ZINC000273444049 373756967 /nfs/dbraw/zinc/75/69/67/373756967.db2.gz ZJXMTRKCGDBIJT-OLZOCXBDSA-N 0 3 297.420 2.094 20 10 CECDHN C[C@@H](NCCC[NH+]1CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273425928 373757374 /nfs/dbraw/zinc/75/73/74/373757374.db2.gz UCIDPLQMHOAHJX-GFCCVEGCSA-N 0 3 293.367 2.437 20 10 CECDHN CC1(C)SC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000282696172 375551418 /nfs/dbraw/zinc/55/14/18/375551418.db2.gz LNUYGGUDWJEMSM-LBPRGKRZSA-N 0 3 267.350 2.105 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@H](C)c2c(C)cc(C)cc2[O-])C1 ZINC000284206255 375825283 /nfs/dbraw/zinc/82/52/83/375825283.db2.gz SLLXVSRWVLYHJM-CABCVRRESA-N 0 3 292.423 2.380 20 10 CECDHN COC[C@@H](C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-])OC ZINC000285115161 375836194 /nfs/dbraw/zinc/83/61/94/375836194.db2.gz KVYFNQKFLXAZEB-QWHCGFSZSA-N 0 3 267.369 2.321 20 10 CECDHN Cc1cc(CNC2(C(N)=O)CCCCC2)ccc1N(C)C ZINC000293889041 377808954 /nfs/dbraw/zinc/80/89/54/377808954.db2.gz VABXBCZXJZGUQB-UHFFFAOYSA-N 0 3 289.423 2.339 20 10 CECDHN CC[C@@H](C)[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000294115510 377911102 /nfs/dbraw/zinc/91/11/02/377911102.db2.gz DFXDIFZVMOOCEC-MEBBXXQBSA-N 0 3 281.352 2.272 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1ccccc1[O-] ZINC000295193030 378047568 /nfs/dbraw/zinc/04/75/68/378047568.db2.gz XNUKLRZVPXFQSU-GDBMZVCRSA-N 0 3 292.423 2.280 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1 ZINC000294841732 378023542 /nfs/dbraw/zinc/02/35/42/378023542.db2.gz RXRYWQUENNHJCK-SWLSCSKDSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000294841734 378023631 /nfs/dbraw/zinc/02/36/31/378023631.db2.gz RXRYWQUENNHJCK-WFASDCNBSA-N 0 3 289.379 2.127 20 10 CECDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296964112 378660522 /nfs/dbraw/zinc/66/05/22/378660522.db2.gz RFYNVYBQGPFQQR-JOYOIKCWSA-N 0 3 275.270 2.282 20 10 CECDHN COCCC1(C)CN(Cc2cc(OC)c(OC)cc2O)C1 ZINC000297538595 378686593 /nfs/dbraw/zinc/68/65/93/378686593.db2.gz ZYRVGEKHAZLAGA-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000228675731 394476193 /nfs/dbraw/zinc/47/61/93/394476193.db2.gz AGAGCXADXKPLSI-JOYOIKCWSA-N 0 3 285.771 2.305 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000037267115 394497068 /nfs/dbraw/zinc/49/70/68/394497068.db2.gz KOCSLGHGYMKVHA-LLVKDONJSA-N 0 3 264.369 2.146 20 10 CECDHN COC(=O)CC[N@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000093384032 394666029 /nfs/dbraw/zinc/66/60/29/394666029.db2.gz NDEKJQCWXBLKER-UHFFFAOYSA-N 0 3 281.352 2.174 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cccc(OC)c1[O-])C(C)C ZINC000093384032 394666033 /nfs/dbraw/zinc/66/60/33/394666033.db2.gz NDEKJQCWXBLKER-UHFFFAOYSA-N 0 3 281.352 2.174 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093644615 394669089 /nfs/dbraw/zinc/66/90/89/394669089.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000093644615 394669094 /nfs/dbraw/zinc/66/90/94/394669094.db2.gz OMZBXQHDPSCQRE-OCCSQVGLSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCc3nc(C)ncc3C2)c1 ZINC000361991435 394840137 /nfs/dbraw/zinc/84/01/37/394840137.db2.gz NYFJDSORELUJEK-CQSZACIVSA-N 0 3 299.374 2.146 20 10 CECDHN COC(=O)c1ccc(CNCc2ccc3c(c2)CCN3C)[nH]1 ZINC000364447066 394904177 /nfs/dbraw/zinc/90/41/77/394904177.db2.gz HCZUIDPTEFBNCT-UHFFFAOYSA-N 0 3 299.374 2.083 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c1[O-] ZINC000135213498 394963684 /nfs/dbraw/zinc/96/36/84/394963684.db2.gz MFLDAFWLCXNSQP-AAEUAGOBSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@@H]1CSCCN1Cc1cc2c(cc1O)OCO2 ZINC000172515449 395103799 /nfs/dbraw/zinc/10/37/99/395103799.db2.gz CNDKJTAEYWKIIA-SECBINFHSA-N 0 3 267.350 2.058 20 10 CECDHN COCCOC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000173398839 395112961 /nfs/dbraw/zinc/11/29/61/395112961.db2.gz PKDXOELKEWHBKD-OAHLLOKOSA-N 0 3 293.407 2.494 20 10 CECDHN COCCOC[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000173398839 395112965 /nfs/dbraw/zinc/11/29/65/395112965.db2.gz PKDXOELKEWHBKD-OAHLLOKOSA-N 0 3 293.407 2.494 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1 ZINC000182436022 395242832 /nfs/dbraw/zinc/24/28/32/395242832.db2.gz ZYDGHQRSWPXDDU-BXUZGUMPSA-N 0 3 292.379 2.061 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000179570912 395197053 /nfs/dbraw/zinc/19/70/53/395197053.db2.gz PWFIUDSCKGHHHW-CQSZACIVSA-N 0 3 298.390 2.310 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000179570912 395197055 /nfs/dbraw/zinc/19/70/55/395197055.db2.gz PWFIUDSCKGHHHW-CQSZACIVSA-N 0 3 298.390 2.310 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1[O-] ZINC000293052764 395216686 /nfs/dbraw/zinc/21/66/86/395216686.db2.gz RRHQFAPPKBDTGE-MLGOLLRUSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN1CCOCC1 ZINC000183522703 395259675 /nfs/dbraw/zinc/25/96/75/395259675.db2.gz PFXKCNJYRUBJLJ-KGLIPLIRSA-N 0 3 278.396 2.011 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCCC2)c1 ZINC000020126893 171011772 /nfs/dbraw/zinc/01/17/72/171011772.db2.gz GZGYILQXFZUZAC-GFCCVEGCSA-N 0 3 264.369 2.147 20 10 CECDHN CC[C@H]([NH2+]CCCOCCOC)c1ccccc1[O-] ZINC000020192377 171058370 /nfs/dbraw/zinc/05/83/70/171058370.db2.gz PZDDMXUSVFGUHW-AWEZNQCLSA-N 0 3 267.369 2.486 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](OC)C2)c1[O-] ZINC000091772488 260266209 /nfs/dbraw/zinc/26/62/09/260266209.db2.gz JSRWOMYPLMBWJW-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](OC)C2)c1[O-] ZINC000091772488 260266211 /nfs/dbraw/zinc/26/62/11/260266211.db2.gz JSRWOMYPLMBWJW-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(CN2CCC[C@H](OC)C2)c1O ZINC000091772488 260266213 /nfs/dbraw/zinc/26/62/13/260266213.db2.gz JSRWOMYPLMBWJW-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C2(CO)Cc3ccccc3C2)c1 ZINC000363549055 260941675 /nfs/dbraw/zinc/94/16/75/260941675.db2.gz XPPQDWKJDGLDHP-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN CCOc1cccc(C[NH2+]C(C)(C)[C@@H](C)O)c1[O-] ZINC000161138988 261238236 /nfs/dbraw/zinc/23/82/36/261238236.db2.gz DXMVTUKNALAPIX-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN COc1cc(O)c(CN2CCC(C)(CO)CC2)cc1OC ZINC000184068725 262007384 /nfs/dbraw/zinc/00/73/84/262007384.db2.gz RQXNKPQAJKCJSJ-UHFFFAOYSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC(C)(CO)CC2)cc1OC ZINC000184068725 262007385 /nfs/dbraw/zinc/00/73/85/262007385.db2.gz RQXNKPQAJKCJSJ-UHFFFAOYSA-N 0 3 295.379 2.004 20 10 CECDHN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1[O-])CC2 ZINC000185317385 262050640 /nfs/dbraw/zinc/05/06/40/262050640.db2.gz MEVRBKFAIOPGEU-WCQYABFASA-N 0 3 286.379 2.266 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000185787897 262070653 /nfs/dbraw/zinc/07/06/53/262070653.db2.gz YTIBJUGELYAXCX-NEPJUHHUSA-N 0 3 292.379 2.062 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000186089029 262079149 /nfs/dbraw/zinc/07/91/49/262079149.db2.gz UEPULYAPHJGNFC-NEPJUHHUSA-N 0 3 274.364 2.115 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000185511131 262305859 /nfs/dbraw/zinc/30/58/59/262305859.db2.gz RMNQWWXXRQMGQT-ISTVAULSSA-N 0 3 285.409 2.164 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000186902162 262328671 /nfs/dbraw/zinc/32/86/71/262328671.db2.gz BNXUBZPGRKLIAA-BDAKNGLRSA-N 0 3 288.185 2.495 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000376729105 268012088 /nfs/dbraw/zinc/01/20/88/268012088.db2.gz OAGTXPNLCRKYEU-UHFFFAOYSA-N 0 3 257.337 2.215 20 10 CECDHN Cc1nccn1C[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180427911 327805825 /nfs/dbraw/zinc/80/58/25/327805825.db2.gz MYAHBZVLZZHNHI-LLVKDONJSA-N 0 3 277.343 2.462 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccsc2)c1 ZINC000271857663 328198176 /nfs/dbraw/zinc/19/81/76/328198176.db2.gz VDTIYXSMSBJTCP-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377696419 329025189 /nfs/dbraw/zinc/02/51/89/329025189.db2.gz NJODHJQWPWVPPU-CYBMUJFWSA-N 0 3 298.390 2.283 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)c1 ZINC000377696419 329025190 /nfs/dbraw/zinc/02/51/90/329025190.db2.gz NJODHJQWPWVPPU-CYBMUJFWSA-N 0 3 298.390 2.283 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])CC1(C)C ZINC000378369335 329047648 /nfs/dbraw/zinc/04/76/48/329047648.db2.gz IWKYLHQMHWYHHL-CYBMUJFWSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])CC1(C)C ZINC000378369335 329047651 /nfs/dbraw/zinc/04/76/51/329047651.db2.gz IWKYLHQMHWYHHL-CYBMUJFWSA-N 0 3 277.364 2.332 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccccc1[O-] ZINC000360001949 329069845 /nfs/dbraw/zinc/06/98/45/329069845.db2.gz WYRRLWHWEANGCZ-OLZOCXBDSA-N 0 3 286.379 2.055 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000180287896 329219389 /nfs/dbraw/zinc/21/93/89/329219389.db2.gz WIQSCPZIDVOBES-UHFFFAOYSA-N 0 3 290.342 2.035 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000529636798 333502349 /nfs/dbraw/zinc/50/23/49/333502349.db2.gz HIEHTJYIRVCCAW-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN [O-]c1c(F)cccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767415 334391283 /nfs/dbraw/zinc/39/12/83/334391283.db2.gz IFMFNZZBJDLUIJ-OLZOCXBDSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1c(F)cccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252767415 334391284 /nfs/dbraw/zinc/39/12/84/334391284.db2.gz IFMFNZZBJDLUIJ-OLZOCXBDSA-N 0 3 264.344 2.248 20 10 CECDHN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000279640612 519536036 /nfs/dbraw/zinc/53/60/36/519536036.db2.gz CWNNZDHJACXLCH-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CCOCc1cc(CNC[C@H](O)C2CC2)ccc1OC ZINC000265220016 520187031 /nfs/dbraw/zinc/18/70/31/520187031.db2.gz GNNATAUNOOKDDJ-HNNXBMFYSA-N 0 3 279.380 2.092 20 10 CECDHN CCC[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236886342 521116060 /nfs/dbraw/zinc/11/60/60/521116060.db2.gz OADRFKMBAIIMMO-AWEZNQCLSA-N 0 3 276.380 2.015 20 10 CECDHN CCC[C@H](N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000236880589 521116696 /nfs/dbraw/zinc/11/66/96/521116696.db2.gz UFXGZQXDVRIAJQ-AWEZNQCLSA-N 0 3 295.402 2.416 20 10 CECDHN CCN1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000264733219 521595047 /nfs/dbraw/zinc/59/50/47/521595047.db2.gz HASJNBWXGDOYKQ-CQSZACIVSA-N 0 3 291.395 2.066 20 10 CECDHN CC[C@H](CCO)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000094948706 522145684 /nfs/dbraw/zinc/14/56/84/522145684.db2.gz MPQOIBJNDFCXKU-VXGBXAGGSA-N 0 3 267.369 2.460 20 10 CECDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000236953178 522367570 /nfs/dbraw/zinc/36/75/70/522367570.db2.gz PCFOCCFBHSPRLE-WBMJQRKESA-N 0 3 289.423 2.059 20 10 CECDHN CC[C@H]([NH2+][C@@H](CCO)COC)c1ccc(C)cc1[O-] ZINC000280018452 522706765 /nfs/dbraw/zinc/70/67/65/522706765.db2.gz HECPOCHVENVTDQ-JSGCOSHPSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@H](N[C@H]1COC[C@@H]1OC)c1ccc(N(C)C)cc1 ZINC000290189057 522759228 /nfs/dbraw/zinc/75/92/28/522759228.db2.gz ODQMTVHIFBGAKE-JYJNAYRXSA-N 0 3 278.396 2.207 20 10 CECDHN C[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1CO ZINC000276748435 524293614 /nfs/dbraw/zinc/29/36/14/524293614.db2.gz LIUHBYCGGRJQAB-NHYWBVRUSA-N 0 3 266.360 2.094 20 10 CECDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290414349 524379690 /nfs/dbraw/zinc/37/96/90/524379690.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN Cc1cccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1[O-] ZINC000290414349 524379694 /nfs/dbraw/zinc/37/96/94/524379694.db2.gz KFYQRUKATXVDGR-UKRRQHHQSA-N 0 3 262.397 2.473 20 10 CECDHN COc1ccc(O)c(CNCc2ncccc2C)c1 ZINC000071339544 524753762 /nfs/dbraw/zinc/75/37/62/524753762.db2.gz IBWQJCRAVRDGRH-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C2CCN(c3cccnn3)CC2)c1 ZINC000277422976 525344860 /nfs/dbraw/zinc/34/48/60/525344860.db2.gz GROSGGDEMHXRGV-UHFFFAOYSA-N 0 3 298.390 2.249 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280357242 525346054 /nfs/dbraw/zinc/34/60/54/525346054.db2.gz UCGLWXMXWQMMNH-BBRMVZONSA-N 0 3 277.364 2.080 20 10 CECDHN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(F)ccc1[O-] ZINC000278597573 525422188 /nfs/dbraw/zinc/42/21/88/525422188.db2.gz ZHRYRLQJRVWFPE-GFCCVEGCSA-N 0 3 294.370 2.047 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCCC2)c([O-])c1 ZINC000228089862 525739043 /nfs/dbraw/zinc/73/90/43/525739043.db2.gz BONFXMPBQNHEOW-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN COc1cccc(C[NH2+]CCCOC[C@H]2CCCO2)c1[O-] ZINC000020146695 526014090 /nfs/dbraw/zinc/01/40/90/526014090.db2.gz IJRLXLZQPSSXBC-CQSZACIVSA-N 0 3 295.379 2.076 20 10 CECDHN COc1cccc(C[NH2+][C@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000290814713 526036179 /nfs/dbraw/zinc/03/61/79/526036179.db2.gz GKIMURTYVZKWTJ-OAHLLOKOSA-N 0 3 279.380 2.288 20 10 CECDHN Oc1cccc(Cl)c1CN1CCN(C2CC2)CC1 ZINC000127925707 526363275 /nfs/dbraw/zinc/36/32/75/526363275.db2.gz IBZXLXQDBNSHMD-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1OC ZINC000753575201 574511313 /nfs/dbraw/zinc/51/13/13/574511313.db2.gz GRSVXSHKGBNXKK-BMIGLBTASA-N 0 3 281.352 2.067 20 10 CECDHN CC(C)(CNC(=O)c1cc([O-])cs1)[NH+]1CCCCC1 ZINC000731864123 574604181 /nfs/dbraw/zinc/60/41/81/574604181.db2.gz PSEGNPQNTMUIIX-UHFFFAOYSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870017 574604357 /nfs/dbraw/zinc/60/43/57/574604357.db2.gz HVWYFBYIDGDIAR-WDEREUQCSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870017 574604358 /nfs/dbraw/zinc/60/43/58/574604358.db2.gz HVWYFBYIDGDIAR-WDEREUQCSA-N 0 3 282.409 2.304 20 10 CECDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732820587 574632294 /nfs/dbraw/zinc/63/22/94/574632294.db2.gz LVPQROYIDYPNMT-NHYWBVRUSA-N 0 3 267.369 2.288 20 10 CECDHN CO[C@@H](CNCc1cc(C)ccc1O)C(F)(F)F ZINC000733328935 574664460 /nfs/dbraw/zinc/66/44/60/574664460.db2.gz HVGWUHBOKUTMPL-NSHDSACASA-N 0 3 263.259 2.368 20 10 CECDHN C[C@H](O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756572670 574821287 /nfs/dbraw/zinc/82/12/87/574821287.db2.gz NHYWLOHTPRVLCN-YWVKMMECSA-N 0 3 253.317 2.440 20 10 CECDHN CN(C)c1ccc(CNCCC(=O)Nc2ccccn2)cc1 ZINC000742696873 575030210 /nfs/dbraw/zinc/03/02/10/575030210.db2.gz OIPHXXXHJNPFPQ-UHFFFAOYSA-N 0 3 298.390 2.266 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000746054258 575147684 /nfs/dbraw/zinc/14/76/84/575147684.db2.gz PHRNEJLCTSTOSI-CYBMUJFWSA-N 0 3 293.363 2.416 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2CCCN(C)C2=O)cc1 ZINC000748242807 575181118 /nfs/dbraw/zinc/18/11/18/575181118.db2.gz RDMRPSHHUDXMPE-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN C[C@H]([NH2+]CC[C@H](C)[S@](C)=O)c1cc(F)ccc1[O-] ZINC000252811512 622587943 /nfs/dbraw/zinc/58/79/43/622587943.db2.gz OPWIJMGPPRFUTA-RAALSFIWSA-N 0 3 273.373 2.339 20 10 CECDHN C[NH2+]C[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000040592982 623173829 /nfs/dbraw/zinc/17/38/29/623173829.db2.gz XXKVRSMLPSZEDG-LLVKDONJSA-N 0 3 268.788 2.477 20 10 CECDHN CN(C)c1ccc([C@@H](CNC(=O)CCCF)N(C)C)cc1 ZINC000891245730 623321453 /nfs/dbraw/zinc/32/14/53/623321453.db2.gz IDPBBTDASALZKB-OAHLLOKOSA-N 0 3 295.402 2.221 20 10 CECDHN CN(C)c1ccc([C@H](CNC(=O)C2(C)CC2)N(C)C)cc1 ZINC000891251927 623327218 /nfs/dbraw/zinc/32/72/18/623327218.db2.gz IERWIPFGLWHETO-HNNXBMFYSA-N 0 3 289.423 2.272 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1ccc(Cn2cncn2)cc1 ZINC000725844896 625722657 /nfs/dbraw/zinc/72/26/57/625722657.db2.gz ATIAWIYTRNSUMD-UHFFFAOYSA-N 0 3 294.358 2.322 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)CC(C)C)c([O-])c1 ZINC000725846338 625758037 /nfs/dbraw/zinc/75/80/37/625758037.db2.gz GDNQBFONBSSJLO-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCN1C1CCCC1 ZINC000820877931 634559061 /nfs/dbraw/zinc/55/90/61/634559061.db2.gz FFMAVLJNVISXPY-OAHLLOKOSA-N 0 3 288.391 2.368 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@](C)(O)C2CC2)c1[O-] ZINC000311881507 627713023 /nfs/dbraw/zinc/71/30/23/627713023.db2.gz YKRUWQYSSZJRDA-AWEZNQCLSA-N 0 3 285.771 2.305 20 10 CECDHN C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902467035 634685122 /nfs/dbraw/zinc/68/51/22/634685122.db2.gz KNXOWKRSVVRPNC-MWKLQFHZSA-N 0 3 250.317 2.075 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(C)cc1[O-] ZINC000794819665 629328086 /nfs/dbraw/zinc/32/80/86/629328086.db2.gz XBGHBDVXSJFHAL-WCQYABFASA-N 0 3 285.409 2.174 20 10 CECDHN Cc1nnc([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000895008364 629799324 /nfs/dbraw/zinc/79/93/24/629799324.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 0 3 292.770 2.462 20 10 CECDHN Cc1nnc([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)[nH]1 ZINC000895008364 629799328 /nfs/dbraw/zinc/79/93/28/629799328.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 0 3 292.770 2.462 20 10 CECDHN Cc1n[nH]c([C@@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000895008364 629799332 /nfs/dbraw/zinc/79/93/32/629799332.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 0 3 292.770 2.462 20 10 CECDHN Cc1n[nH]c([C@@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC000895008364 629799336 /nfs/dbraw/zinc/79/93/36/629799336.db2.gz WCWBIKWMJMDNAL-SNVBAGLBSA-N 0 3 292.770 2.462 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCCC[C@@H]1CO ZINC000895150247 629966352 /nfs/dbraw/zinc/96/63/52/629966352.db2.gz IVJMXNVNGSBKJM-CYBMUJFWSA-N 0 3 253.317 2.268 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000895150247 629966354 /nfs/dbraw/zinc/96/63/54/629966354.db2.gz IVJMXNVNGSBKJM-CYBMUJFWSA-N 0 3 253.317 2.268 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896850650 630690360 /nfs/dbraw/zinc/69/03/60/630690360.db2.gz LIWIVJKFGRCCQG-MJBXVCDLSA-N 0 3 259.349 2.381 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1[O-] ZINC000824584265 635457846 /nfs/dbraw/zinc/45/78/46/635457846.db2.gz ZROUTIIPSNWWEM-HOCLYGCPSA-N 0 3 292.423 2.280 20 10 CECDHN CCN(CC)c1ccc(CNC(COC)COC)cc1F ZINC000824921401 635525274 /nfs/dbraw/zinc/52/52/74/635525274.db2.gz KZITZVLSAMEVAM-UHFFFAOYSA-N 0 3 298.402 2.423 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1(S(C)(=O)=O)CC1 ZINC000797069552 631028073 /nfs/dbraw/zinc/02/80/73/631028073.db2.gz GDJFSHNIVSOAGX-WDEREUQCSA-N 0 3 283.393 2.009 20 10 CECDHN CCCC[N@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000801596755 631297499 /nfs/dbraw/zinc/29/74/99/631297499.db2.gz NKXXPLQSWHOQDP-UHFFFAOYSA-N 0 3 292.379 2.447 20 10 CECDHN CCCC[N@@H+](CCN1CCOC1=O)Cc1ccccc1[O-] ZINC000801596755 631297502 /nfs/dbraw/zinc/29/75/02/631297502.db2.gz NKXXPLQSWHOQDP-UHFFFAOYSA-N 0 3 292.379 2.447 20 10 CECDHN O=C1OCCCN1C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000897592532 631802862 /nfs/dbraw/zinc/80/28/62/631802862.db2.gz WQIWUOANJKCXSA-UHFFFAOYSA-N 0 3 290.363 2.199 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](C)[C@H](O)C2)cc1F ZINC000897683361 631868669 /nfs/dbraw/zinc/86/86/69/631868669.db2.gz CCEMDFFMKVOQDR-MLGOLLRUSA-N 0 3 280.387 2.485 20 10 CECDHN Cc1cc([O-])c(CNC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000841037083 631999100 /nfs/dbraw/zinc/99/91/00/631999100.db2.gz YKCOBFUEQXQJTF-SNVBAGLBSA-N 0 3 254.761 2.196 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC(C)(C)C1 ZINC000840162948 632066463 /nfs/dbraw/zinc/06/64/63/632066463.db2.gz BJRAWOYQSLBZKJ-AWEZNQCLSA-N 0 3 277.364 2.438 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC(C)(C)C1 ZINC000840162948 632066470 /nfs/dbraw/zinc/06/64/70/632066470.db2.gz BJRAWOYQSLBZKJ-AWEZNQCLSA-N 0 3 277.364 2.438 20 10 CECDHN CCOc1cccc(CN(C)[C@@H](CO)COC(C)C)c1O ZINC000809768830 632143755 /nfs/dbraw/zinc/14/37/55/632143755.db2.gz YAGNXELHBAGOTP-AWEZNQCLSA-N 0 3 297.395 2.009 20 10 CECDHN CCO[C@H](C[NH2+][C@H](CC)c1ccccc1[O-])CN(C)C ZINC000926958248 632385193 /nfs/dbraw/zinc/38/51/93/632385193.db2.gz FIBNYHLDSLSSCY-UKRRQHHQSA-N 0 3 280.412 2.400 20 10 CECDHN CC[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000813885324 632751602 /nfs/dbraw/zinc/75/16/02/632751602.db2.gz SRANUMIRXQFOQA-YWVKMMECSA-N 0 3 253.317 2.440 20 10 CECDHN NC(=O)C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccccc1 ZINC000816653476 633457630 /nfs/dbraw/zinc/45/76/30/633457630.db2.gz UPLQFLDMKYVNLB-AWEZNQCLSA-N 0 3 288.322 2.238 20 10 CECDHN CC[C@H]1CN(C)CCN1Cc1ccc(N(C)C)c(F)c1 ZINC000816660606 633459190 /nfs/dbraw/zinc/45/91/90/633459190.db2.gz JZDYUPXEFFNYJU-AWEZNQCLSA-N 0 3 279.403 2.418 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817944902 633792099 /nfs/dbraw/zinc/79/20/99/633792099.db2.gz OSXWHUNMVTXRJR-WCBMZHEXSA-N 0 3 285.185 2.167 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964530 633806857 /nfs/dbraw/zinc/80/68/57/633806857.db2.gz BZXGQFBYDDZJLN-JMCQJSRRSA-N 0 3 256.296 2.058 20 10 CECDHN C[C@@H](NC[C@@H]([NH3+])C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817964530 633806862 /nfs/dbraw/zinc/80/68/62/633806862.db2.gz BZXGQFBYDDZJLN-JMCQJSRRSA-N 0 3 256.296 2.058 20 10 CECDHN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1 ZINC000818614614 633960561 /nfs/dbraw/zinc/96/05/61/633960561.db2.gz CWTUEICNTKVSLR-LERXQTSPSA-N 0 3 292.379 2.099 20 10 CECDHN COc1ccc(C[NH2+]Cc2cncn2C(C)C)c([O-])c1 ZINC000822475839 634926778 /nfs/dbraw/zinc/92/67/78/634926778.db2.gz DQUPGALKTXELNF-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN COc1ccc(CNCc2cncn2C(C)C)c(O)c1 ZINC000822475839 634926782 /nfs/dbraw/zinc/92/67/82/634926782.db2.gz DQUPGALKTXELNF-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000903260316 635033147 /nfs/dbraw/zinc/03/31/47/635033147.db2.gz OVBHOROECILEQL-QARRAHMOSA-N 0 3 292.354 2.323 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]C2CC(CC(N)=O)C2)c2c1c(F)ccc2[O-] ZINC000903260317 635033328 /nfs/dbraw/zinc/03/33/28/635033328.db2.gz OVBHOROECILEQL-ULCALQBOSA-N 0 3 292.354 2.323 20 10 CECDHN COc1nn(C)cc1CN[C@H](C)c1ccc(C)cc1O ZINC000903338620 635068493 /nfs/dbraw/zinc/06/84/93/635068493.db2.gz SHMJZSFIUZTLKV-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN C[C@@H]1C[NH2+]C[C@H]1CNCc1c([O-])ccc(Cl)c1F ZINC000903966789 635399571 /nfs/dbraw/zinc/39/95/71/635399571.db2.gz CHSIMNHPFWPCCX-BDAKNGLRSA-N 0 3 272.751 2.130 20 10 CECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])CCO1 ZINC000824320396 635404562 /nfs/dbraw/zinc/40/45/62/635404562.db2.gz HAKSOTMPBAUVTE-QWHCGFSZSA-N 0 3 265.353 2.448 20 10 CECDHN CC1(C)C[NH2+]C[C@@H]1NCc1cc(Br)ccc1[O-] ZINC000904465332 635636871 /nfs/dbraw/zinc/63/68/71/635636871.db2.gz ZJUMZGVTTZLGIX-LBPRGKRZSA-N 0 3 299.212 2.242 20 10 CECDHN CC[C@H](N)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000826019830 635747731 /nfs/dbraw/zinc/74/77/31/635747731.db2.gz LDEXJOJQDMQTPY-HNNXBMFYSA-N 0 3 277.412 2.229 20 10 CECDHN CCc1cccc(CNCc2ccnn2CC)c1O ZINC000827957383 636469971 /nfs/dbraw/zinc/46/99/71/636469971.db2.gz SSUZXNDGQBHVPX-UHFFFAOYSA-N 0 3 259.353 2.461 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(C)=O ZINC000829516050 636872888 /nfs/dbraw/zinc/87/28/88/636872888.db2.gz NZXMEZCYGTYBRI-MRXNPFEDSA-N 0 3 279.380 2.334 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(C)=O ZINC000829516050 636872890 /nfs/dbraw/zinc/87/28/90/636872890.db2.gz NZXMEZCYGTYBRI-MRXNPFEDSA-N 0 3 279.380 2.334 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512470 650297475 /nfs/dbraw/zinc/29/74/75/650297475.db2.gz PFSSOCFQTGMSNU-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876512470 650297477 /nfs/dbraw/zinc/29/74/77/650297477.db2.gz PFSSOCFQTGMSNU-AWEZNQCLSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000876650433 650376087 /nfs/dbraw/zinc/37/60/87/650376087.db2.gz SGDHKGRCBJGYEM-CYBMUJFWSA-N 0 3 276.380 2.178 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000876650433 650376088 /nfs/dbraw/zinc/37/60/88/650376088.db2.gz SGDHKGRCBJGYEM-CYBMUJFWSA-N 0 3 276.380 2.178 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834844821 637968273 /nfs/dbraw/zinc/96/82/73/637968273.db2.gz VFYALTFXQBHYFH-KANYHAFZSA-N 0 3 297.370 2.457 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834880483 637976628 /nfs/dbraw/zinc/97/66/28/637976628.db2.gz FWTIHGWCBOWIKO-GZBFAFLISA-N 0 3 277.364 2.021 20 10 CECDHN CNC(=O)C[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834900548 637981356 /nfs/dbraw/zinc/98/13/56/637981356.db2.gz QRZIYUUBQPGPIZ-QXEWZRGKSA-N 0 3 280.343 2.194 20 10 CECDHN CN(C)c1ccc(/C=C\CNCc2ccnn2C)cc1 ZINC000835036428 638033488 /nfs/dbraw/zinc/03/34/88/638033488.db2.gz PGKZUDOCAOCAHS-PLNGDYQASA-N 0 3 270.380 2.289 20 10 CECDHN CO[C@@H]1CN(C/C=C\c2ccc(N(C)C)cc2)C[C@@H]1OC ZINC000835048037 638038746 /nfs/dbraw/zinc/03/87/46/638038746.db2.gz DROQCRACGFNEHX-YKZUCCNHSA-N 0 3 290.407 2.111 20 10 CECDHN COc1ccc(CN[C@@H]2C[C@@H]3CCCCN3C2=O)cc1C ZINC000835072275 638048347 /nfs/dbraw/zinc/04/83/47/638048347.db2.gz DZEUVLCEQDWVMP-LSDHHAIUSA-N 0 3 288.391 2.247 20 10 CECDHN Cc1ccc(C[NH+]2CCC(OCCCO)CC2)c([O-])c1 ZINC000876771661 650427499 /nfs/dbraw/zinc/42/74/99/650427499.db2.gz VYQRBEMKTRAFGG-UHFFFAOYSA-N 0 3 279.380 2.064 20 10 CECDHN Cc1ccc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)c([O-])c1 ZINC000876926492 650488494 /nfs/dbraw/zinc/48/84/94/650488494.db2.gz WRZSZMMYNLJBDZ-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN C[C@](CO)([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000227212842 639577335 /nfs/dbraw/zinc/57/73/35/639577335.db2.gz HHJYSRVBVHFATJ-MRXNPFEDSA-N 0 3 257.333 2.390 20 10 CECDHN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCCCN1 ZINC000841033618 639626464 /nfs/dbraw/zinc/62/64/64/639626464.db2.gz XWTOPNCMRLHULG-LLVKDONJSA-N 0 3 299.212 2.386 20 10 CECDHN [O-]c1c(Br)cccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033618 639626468 /nfs/dbraw/zinc/62/64/68/639626468.db2.gz XWTOPNCMRLHULG-LLVKDONJSA-N 0 3 299.212 2.386 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1 ZINC000841061542 639638053 /nfs/dbraw/zinc/63/80/53/639638053.db2.gz JYCXQJKCLMUKCL-KOLCDFICSA-N 0 3 299.212 2.385 20 10 CECDHN C[C@@H]1CNCC[C@H]1[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841064878 639640868 /nfs/dbraw/zinc/64/08/68/639640868.db2.gz VMOPNNGJTDHWOV-PRHODGIISA-N 0 3 272.751 2.272 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000228673565 639651405 /nfs/dbraw/zinc/65/14/05/639651405.db2.gz PQFOIKVLPRPVEL-GFCCVEGCSA-N 0 3 296.798 2.381 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105306 639678299 /nfs/dbraw/zinc/67/82/99/639678299.db2.gz JOTHAELHZPGYQN-AWEZNQCLSA-N 0 3 266.772 2.374 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)CC2 ZINC000841762526 639859567 /nfs/dbraw/zinc/85/95/67/639859567.db2.gz PUPZDXMEUHUKPP-VXGBXAGGSA-N 0 3 282.334 2.309 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccccc1[O-] ZINC000841765338 639861320 /nfs/dbraw/zinc/86/13/20/639861320.db2.gz PPCSOUJHDPBDCQ-WDEREUQCSA-N 0 3 270.323 2.382 20 10 CECDHN Cc1ccc(C[NH2+]CCCN2CCCCC2=O)c([O-])c1 ZINC000877022736 650534694 /nfs/dbraw/zinc/53/46/94/650534694.db2.gz RCLSMMYMWQNVLF-UHFFFAOYSA-N 0 3 276.380 2.193 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000877049535 650548149 /nfs/dbraw/zinc/54/81/49/650548149.db2.gz GRFFXTQBOZMGMA-KBPBESRZSA-N 0 3 297.420 2.146 20 10 CECDHN CC(=O)c1cc(F)cc(C[NH2+][C@H](CN)C(C)(C)C)c1[O-] ZINC000842475940 640075646 /nfs/dbraw/zinc/07/56/46/640075646.db2.gz YLILSJNXVUIAFE-CYBMUJFWSA-N 0 3 282.359 2.197 20 10 CECDHN CC[NH+](CC)CCCNC(=O)NCc1c([O-])cccc1F ZINC000913852277 640139693 /nfs/dbraw/zinc/13/96/93/640139693.db2.gz LGHBRNMVNMCZMD-UHFFFAOYSA-N 0 3 297.374 2.062 20 10 CECDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1OC)c1ccc(C)cc1[O-] ZINC000842909557 640219391 /nfs/dbraw/zinc/21/93/91/640219391.db2.gz JACBOJSUWBZUGS-GZBFAFLISA-N 0 3 265.353 2.155 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000842913308 640220631 /nfs/dbraw/zinc/22/06/31/640220631.db2.gz ZHLNGEOQCZQKJO-BQKRADJCSA-N 0 3 281.327 2.083 20 10 CECDHN C[C@H]1C[C@@H](C[NH3+])CN1Cc1cccc(Br)c1[O-] ZINC000843057873 640259558 /nfs/dbraw/zinc/25/95/58/640259558.db2.gz NFFQESDXLDGPEL-UWVGGRQHSA-N 0 3 299.212 2.324 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2C[NH3+])c1[O-] ZINC000843347181 640398286 /nfs/dbraw/zinc/39/82/86/640398286.db2.gz BTBOGMVDMOMTMU-ZDUSSCGKSA-N 0 3 280.343 2.047 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000877120801 650581478 /nfs/dbraw/zinc/58/14/78/650581478.db2.gz IVDNZIATCANTMX-AWEZNQCLSA-N 0 3 283.375 2.464 20 10 CECDHN COc1cc(CN2CCN(C)CC2)c(O)c(C(C)(C)C)c1 ZINC000915790269 640614912 /nfs/dbraw/zinc/61/49/12/640614912.db2.gz YKLDCQNQFVIKGT-UHFFFAOYSA-N 0 3 292.423 2.446 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313016 640672838 /nfs/dbraw/zinc/67/28/38/640672838.db2.gz PQQFNDNHZGFSAY-JSGCOSHPSA-N 0 3 290.363 2.416 20 10 CECDHN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000846017901 641153024 /nfs/dbraw/zinc/15/30/24/641153024.db2.gz RBXUQBSZSORFCQ-ZWNOBZJWSA-N 0 3 255.333 2.418 20 10 CECDHN CCn1cc(CN[C@H](C)c2cccc(OC)c2O)cn1 ZINC000846152219 641204121 /nfs/dbraw/zinc/20/41/21/641204121.db2.gz QMRUDENGCGUSAI-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CN(CC)C(=O)O1 ZINC000846809997 641434229 /nfs/dbraw/zinc/43/42/29/641434229.db2.gz TXAWWJPVSCDQTF-AWEZNQCLSA-N 0 3 292.379 2.445 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H]1CN(CC)C(=O)O1 ZINC000846809997 641434234 /nfs/dbraw/zinc/43/42/34/641434234.db2.gz TXAWWJPVSCDQTF-AWEZNQCLSA-N 0 3 292.379 2.445 20 10 CECDHN CCN(Cc1ccc(C)cc1O)C[C@@H](O)C(F)(F)F ZINC000877429418 650716609 /nfs/dbraw/zinc/71/66/09/650716609.db2.gz XYJBBKLTLLPQFT-GFCCVEGCSA-N 0 3 277.286 2.446 20 10 CECDHN COc1cc(O)c(CN2C[C@@H](C)[C@H]2C)cc1OC ZINC000816648688 642162281 /nfs/dbraw/zinc/16/22/81/642162281.db2.gz NOZVOTPBVISFNM-NXEZZACHSA-N 0 3 251.326 2.250 20 10 CECDHN CCc1cccc(CN(C)[C@H]2CCCCNC2=O)c1O ZINC000848884744 642170947 /nfs/dbraw/zinc/17/09/47/642170947.db2.gz JNMPSHTZCWSPRA-AWEZNQCLSA-N 0 3 276.380 2.055 20 10 CECDHN CCc1cccc(CNCC(=O)NC2CCCC2)c1O ZINC000848894644 642175951 /nfs/dbraw/zinc/17/59/51/642175951.db2.gz FQKWSJJQSVWGCK-UHFFFAOYSA-N 0 3 276.380 2.103 20 10 CECDHN CCc1cccc(CNCCS(=O)(=O)C(C)(C)C)c1O ZINC000848898131 642177956 /nfs/dbraw/zinc/17/79/56/642177956.db2.gz YNUDFBYTHDOAMP-UHFFFAOYSA-N 0 3 299.436 2.258 20 10 CECDHN CCc1cccc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000848908381 642183640 /nfs/dbraw/zinc/18/36/40/642183640.db2.gz SHBWRCFMGLZWBO-DYVFJYSZSA-N 0 3 291.391 2.334 20 10 CECDHN COc1ccc(O)c(CN[C@H]2c3ccccc3C[C@@H]2O)c1 ZINC000848925883 642196821 /nfs/dbraw/zinc/19/68/21/642196821.db2.gz HVDNNCHHAIMNFD-IRXDYDNUSA-N 0 3 285.343 2.149 20 10 CECDHN COc1ccc(CNC(=[NH2+])N2CCCCCC2)c([O-])c1 ZINC000849024840 642238366 /nfs/dbraw/zinc/23/83/66/642238366.db2.gz BRFYMQAIPJIEJH-UHFFFAOYSA-N 0 3 277.368 2.301 20 10 CECDHN NC1(C[NH2+]Cc2cccc(Cl)c2[O-])CCCC1 ZINC000849350307 642340861 /nfs/dbraw/zinc/34/08/61/642340861.db2.gz XLVGCZMTRFUMTD-UHFFFAOYSA-N 0 3 254.761 2.407 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000877505148 650755676 /nfs/dbraw/zinc/75/56/76/650755676.db2.gz XMUPYHGCBFSQSN-ZDUSSCGKSA-N 0 3 298.390 2.452 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000877505148 650755679 /nfs/dbraw/zinc/75/56/79/650755679.db2.gz XMUPYHGCBFSQSN-ZDUSSCGKSA-N 0 3 298.390 2.452 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000850379382 642690487 /nfs/dbraw/zinc/69/04/87/642690487.db2.gz NGDWCYLAYXDALV-RYUDHWBXSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc(CNCc2c(C)cccc2O)c(OC)n1 ZINC000877542984 650777798 /nfs/dbraw/zinc/77/77/98/650777798.db2.gz UPMVSEWNXCUOLL-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN COC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000850493367 642731949 /nfs/dbraw/zinc/73/19/49/642731949.db2.gz VWGUZDVSHZWVCV-SWLSCSKDSA-N 0 3 279.380 2.484 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC)C1=O ZINC000851792413 643164200 /nfs/dbraw/zinc/16/42/00/643164200.db2.gz OGEPNHIDFLPZJM-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(CC)C1=O ZINC000851792413 643164204 /nfs/dbraw/zinc/16/42/04/643164204.db2.gz OGEPNHIDFLPZJM-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN Cc1ccc(NCC[NH2+]Cc2ccccc2[O-])nc1 ZINC000922926231 643455060 /nfs/dbraw/zinc/45/50/60/643455060.db2.gz RAXUUZKLBNWTDG-UHFFFAOYSA-N 0 3 257.337 2.297 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCOCC(=O)OC(C)(C)C ZINC000877672874 650844811 /nfs/dbraw/zinc/84/48/11/650844811.db2.gz CCFFSJYWKWVNPE-UHFFFAOYSA-N 0 3 295.379 2.149 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H](O)C(F)(F)F ZINC000877693759 650854409 /nfs/dbraw/zinc/85/44/09/650854409.db2.gz QCMZRABCHJXNDP-GXFFZTMASA-N 0 3 290.329 2.462 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894865 644072895 /nfs/dbraw/zinc/07/28/95/644072895.db2.gz KNQPFHMZSYEWHP-RDJZCZTQSA-N 0 3 291.391 2.144 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@H](O)C1CC1)C[C@@H]1CCCO1 ZINC000838894865 644072896 /nfs/dbraw/zinc/07/28/96/644072896.db2.gz KNQPFHMZSYEWHP-RDJZCZTQSA-N 0 3 291.391 2.144 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000839182214 644181520 /nfs/dbraw/zinc/18/15/20/644181520.db2.gz LRSHEGQAFDJBQL-CABCVRRESA-N 0 3 277.364 2.448 20 10 CECDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755748 650898860 /nfs/dbraw/zinc/89/88/60/650898860.db2.gz LVXKAIMYSOWZSE-LYIQGSDWSA-N 0 3 263.337 2.240 20 10 CECDHN COC(=O)c1ccc(C[NH2+][C@H](C)c2ccccc2[O-])[nH]1 ZINC000877756444 650899369 /nfs/dbraw/zinc/89/93/69/650899369.db2.gz IZDNKDJIHSWDON-SNVBAGLBSA-N 0 3 274.320 2.358 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000754872655 644444942 /nfs/dbraw/zinc/44/49/42/644444942.db2.gz OBGCQBJWNZYXLB-QMTHXVAHSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CCS1 ZINC000754872655 644444948 /nfs/dbraw/zinc/44/49/48/644444948.db2.gz OBGCQBJWNZYXLB-QMTHXVAHSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756395816 644643371 /nfs/dbraw/zinc/64/33/71/644643371.db2.gz JJNSDZCZXRILHF-USWWRNFRSA-N 0 3 292.354 2.338 20 10 CECDHN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000756583061 644671452 /nfs/dbraw/zinc/67/14/52/644671452.db2.gz MMTCXSJRCZIZRC-WCQYABFASA-N 0 3 283.343 2.378 20 10 CECDHN CN(C)c1cc(F)c(CNCC2(O)CCC2)cc1F ZINC000858133712 645070532 /nfs/dbraw/zinc/07/05/32/645070532.db2.gz VPXIWCRINAMGOQ-UHFFFAOYSA-N 0 3 270.323 2.035 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2CCCC[C@H]2O)cc1F ZINC000858136631 645071703 /nfs/dbraw/zinc/07/17/03/645071703.db2.gz WFPZFYKFESQYGI-UKRRQHHQSA-N 0 3 284.350 2.424 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000858185158 645082316 /nfs/dbraw/zinc/08/23/16/645082316.db2.gz SQHZVKKUXSUCLD-YVLXSGLVSA-N 0 3 282.334 2.440 20 10 CECDHN COC(=O)C1=CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000858470571 645171509 /nfs/dbraw/zinc/17/15/09/645171509.db2.gz IZKHQCSLEMVYMS-QWHCGFSZSA-N 0 3 273.332 2.231 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](CO)CC(F)F)c1[O-] ZINC000763536610 645554865 /nfs/dbraw/zinc/55/48/65/645554865.db2.gz DQMHLOQLOISOJF-SNVBAGLBSA-N 0 3 279.714 2.460 20 10 CECDHN CO[C@@]1(C[NH2+]Cc2cc(Cl)cc(C)c2[O-])CCOC1 ZINC000764684592 645674727 /nfs/dbraw/zinc/67/47/27/645674727.db2.gz ZBMYJWDOEPPYSS-CQSZACIVSA-N 0 3 285.771 2.249 20 10 CECDHN CCOc1ccc(C[NH2+]C2(COC)CC2)c([O-])c1 ZINC000765264181 645750252 /nfs/dbraw/zinc/75/02/52/645750252.db2.gz RFZCYQNXGZLTAD-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN CC[C@@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440112 646122517 /nfs/dbraw/zinc/12/25/17/646122517.db2.gz SQUNGPIHHUTTGV-IAQYHMDHSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440112 646122521 /nfs/dbraw/zinc/12/25/21/646122521.db2.gz SQUNGPIHHUTTGV-IAQYHMDHSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C ZINC000768466023 646127872 /nfs/dbraw/zinc/12/78/72/646127872.db2.gz VNYTTXSUWUSDTR-JRPNMDOOSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C[C@@H]1C ZINC000768466023 646127874 /nfs/dbraw/zinc/12/78/74/646127874.db2.gz VNYTTXSUWUSDTR-JRPNMDOOSA-N 0 3 277.364 2.296 20 10 CECDHN Cn1nnc2cc(C[N@H+](C)Cc3ccccc3[O-])ccc21 ZINC000768540651 646136591 /nfs/dbraw/zinc/13/65/91/646136591.db2.gz ACJLSIHUBBGAIX-UHFFFAOYSA-N 0 3 282.347 2.306 20 10 CECDHN Cn1nnc2cc(C[N@@H+](C)Cc3ccccc3[O-])ccc21 ZINC000768540651 646136592 /nfs/dbraw/zinc/13/65/92/646136592.db2.gz ACJLSIHUBBGAIX-UHFFFAOYSA-N 0 3 282.347 2.306 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](COC)C2)c([O-])c1 ZINC000769398089 646259767 /nfs/dbraw/zinc/25/97/67/646259767.db2.gz FXUYEJKWUDKFMX-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](COC)C2)c([O-])c1 ZINC000769398089 646259770 /nfs/dbraw/zinc/25/97/70/646259770.db2.gz FXUYEJKWUDKFMX-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN Cc1ccc(O)c(CNC(=O)CN2[C@H](C)CC[C@H]2C)c1 ZINC000862761003 646559758 /nfs/dbraw/zinc/55/97/58/646559758.db2.gz ZQYZNTVLBXZWGC-CHWSQXEVSA-N 0 3 276.380 2.190 20 10 CECDHN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000863484805 646740638 /nfs/dbraw/zinc/74/06/38/646740638.db2.gz NAFICXXQGSXQIV-GXSJLCMTSA-N 0 3 299.212 2.385 20 10 CECDHN C[C@H]1CC[C@@H](NCc2cccc(Br)c2[O-])C[NH2+]1 ZINC000863484805 646740639 /nfs/dbraw/zinc/74/06/39/646740639.db2.gz NAFICXXQGSXQIV-GXSJLCMTSA-N 0 3 299.212 2.385 20 10 CECDHN CCN(C)c1ccc(CN2CCSC[C@@H]2CO)cc1 ZINC000773810864 646776957 /nfs/dbraw/zinc/77/69/57/646776957.db2.gz CKLRFYZHOLFQBR-HNNXBMFYSA-N 0 3 280.437 2.052 20 10 CECDHN C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000775137395 646926139 /nfs/dbraw/zinc/92/61/39/646926139.db2.gz UDGBMEDYBFVUQI-LLVKDONJSA-N 0 3 262.353 2.102 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000775168805 646928147 /nfs/dbraw/zinc/92/81/47/646928147.db2.gz RTFPHMDQNNBLCG-HNNXBMFYSA-N 0 3 279.286 2.494 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C)nc2)c1 ZINC000775361156 646945791 /nfs/dbraw/zinc/94/57/91/646945791.db2.gz CEPWYHAIJVTQOP-SNVBAGLBSA-N 0 3 273.336 2.350 20 10 CECDHN CC[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1ccccc1[O-] ZINC000776005846 647016064 /nfs/dbraw/zinc/01/60/64/647016064.db2.gz CZHWRYVULZXRJO-IJEWVQPXSA-N 0 3 290.407 2.296 20 10 CECDHN C[C@H](NC(=O)N(C)CCN(C)C)c1ccc(N(C)C)cc1 ZINC000776245955 647040926 /nfs/dbraw/zinc/04/09/26/647040926.db2.gz IPNRRSBUYFAFQQ-ZDUSSCGKSA-N 0 3 292.427 2.017 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCn3ccnc3C2)c([O-])c1 ZINC000778187715 647206944 /nfs/dbraw/zinc/20/69/44/647206944.db2.gz KUAMRUOMOWCGAL-CYBMUJFWSA-N 0 3 287.363 2.092 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000778193265 647207836 /nfs/dbraw/zinc/20/78/36/647207836.db2.gz VIBCJJKGGSQXTB-UONOGXRCSA-N 0 3 265.353 2.040 20 10 CECDHN CCCC(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000779000552 647280461 /nfs/dbraw/zinc/28/04/61/647280461.db2.gz ZDZYUZANJBVHKK-UHFFFAOYSA-N 0 3 294.370 2.412 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000779093692 647287135 /nfs/dbraw/zinc/28/71/35/647287135.db2.gz XEWKMOUBRRJQSF-LLVKDONJSA-N 0 3 279.311 2.065 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)C[C@H](C)O)c([O-])c1 ZINC000865872359 647514554 /nfs/dbraw/zinc/51/45/54/647514554.db2.gz LCKYHJAPORBJLT-AAEUAGOBSA-N 0 3 267.369 2.430 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C2CN(c3ccncn3)C2)c([O-])c1 ZINC000866495353 647806201 /nfs/dbraw/zinc/80/62/01/647806201.db2.gz BOAGFVGKEIEXEG-GFCCVEGCSA-N 0 3 284.363 2.030 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@H]2CCOC2)c([O-])c1 ZINC000784663824 647872756 /nfs/dbraw/zinc/87/27/56/647872756.db2.gz NCJWRZPULWTRJO-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN CCn1cccc(C[NH2+]Cc2cc(F)ccc2[O-])c1=O ZINC000789751386 648337807 /nfs/dbraw/zinc/33/78/07/648337807.db2.gz CALJYNXDUKUVKO-UHFFFAOYSA-N 0 3 276.311 2.003 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(C3CC3)CC1)[C@H](O)CO2 ZINC000793631578 648783665 /nfs/dbraw/zinc/78/36/65/648783665.db2.gz OZFMSGQHYPELPR-MRXNPFEDSA-N 0 3 289.375 2.440 20 10 CECDHN C[NH+](C)C1(C)CCC(NC(=O)c2cccc(O)c2[O-])CC1 ZINC000871359740 649070816 /nfs/dbraw/zinc/07/08/16/649070816.db2.gz SJJITHAYEHZJQQ-UHFFFAOYSA-N 0 3 292.379 2.091 20 10 CECDHN CCCOc1ccc(CNCC[S@](C)=O)cc1C ZINC000873053103 649544737 /nfs/dbraw/zinc/54/47/37/649544737.db2.gz FDCNSJRXJKBRIX-SFHVURJKSA-N 0 3 269.410 2.252 20 10 CECDHN CC(C)N(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651431 651335801 /nfs/dbraw/zinc/33/58/01/651335801.db2.gz VHFIKXJMSCHBCZ-RYUDHWBXSA-N 0 3 264.369 2.298 20 10 CECDHN C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)c1ccccc1[O-] ZINC000879651188 651335852 /nfs/dbraw/zinc/33/58/52/651335852.db2.gz LRBDUODBTUNGSJ-STQMWFEESA-N 0 3 276.380 2.444 20 10 CECDHN CC(C)C[C@@H](C(N)=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000880590823 651466836 /nfs/dbraw/zinc/46/68/36/651466836.db2.gz WARNPPUDXKYDLP-HNNXBMFYSA-N 0 3 277.412 2.084 20 10 CECDHN C[C@@H]1C[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000131512245 652432069 /nfs/dbraw/zinc/43/20/69/652432069.db2.gz VEINKGLCXFLPLA-BXKDBHETSA-N 0 3 254.761 2.357 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@@H]1CCCOC1 ZINC000883352420 652438602 /nfs/dbraw/zinc/43/86/02/652438602.db2.gz AMWLMRLRSBAQMQ-DGCLKSJQSA-N 0 3 293.363 2.416 20 10 CECDHN CC(C)CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135719023 652980161 /nfs/dbraw/zinc/98/01/61/652980161.db2.gz DPKJLZQKCCVJHP-RYUDHWBXSA-N 0 3 264.369 2.204 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000093820763 806712633 /nfs/dbraw/zinc/71/26/33/806712633.db2.gz CDWAFWLMENSNNN-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000093820763 806712640 /nfs/dbraw/zinc/71/26/40/806712640.db2.gz CDWAFWLMENSNNN-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000160437792 806872997 /nfs/dbraw/zinc/87/29/97/806872997.db2.gz DBVFYFJVAKXPNU-LBPRGKRZSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc(N2CCN(C[C@H]3C[C@@H]3C)CC2)c(OC)c1 ZINC001209426379 802522732 /nfs/dbraw/zinc/52/27/32/802522732.db2.gz KEYIWQIRUAWVFF-UONOGXRCSA-N 0 3 290.407 2.482 20 10 CECDHN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000723547379 802885831 /nfs/dbraw/zinc/88/58/31/802885831.db2.gz HBPHMDKIZBQWIP-QWRGUYRKSA-N 0 3 280.343 2.050 20 10 CECDHN CC[NH+]1C[C@@H]2CN(Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001140468607 802964868 /nfs/dbraw/zinc/96/48/68/802964868.db2.gz QHMQJTMKJKTZLQ-CHWSQXEVSA-N 0 3 280.799 2.429 20 10 CECDHN Cc1n[nH]c(=O)c(C[NH2+][C@@H]2CCc3cccc([O-])c32)c1C ZINC001117831008 814957837 /nfs/dbraw/zinc/95/78/37/814957837.db2.gz JVIDMKSUHZQDBI-CYBMUJFWSA-N 0 3 285.347 2.282 20 10 CECDHN C[C@@H]([NH2+]CCC1(CO)CC1)c1cc(F)ccc1[O-] ZINC000395922077 803705809 /nfs/dbraw/zinc/70/58/09/803705809.db2.gz DFBPQLQMDDFRGR-SNVBAGLBSA-N 0 3 253.317 2.345 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1SCCS1 ZINC000692863985 804248919 /nfs/dbraw/zinc/24/89/19/804248919.db2.gz YYYJUORDIPERSV-UHFFFAOYSA-N 0 3 259.371 2.427 20 10 CECDHN CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037126689 815012329 /nfs/dbraw/zinc/01/23/29/815012329.db2.gz IIXJBYKTXVYSRF-NWDGAFQWSA-N 0 3 264.369 2.300 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC001203557102 808700837 /nfs/dbraw/zinc/70/08/37/808700837.db2.gz ZDAVMESMQFLTGP-WCQYABFASA-N 0 3 263.337 2.166 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC001203557102 808700842 /nfs/dbraw/zinc/70/08/42/808700842.db2.gz ZDAVMESMQFLTGP-WCQYABFASA-N 0 3 263.337 2.166 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN2C(=O)CC[C@@H]2C1)c1ccccc1[O-] ZINC001172164508 815327214 /nfs/dbraw/zinc/32/72/14/815327214.db2.gz BIDDXRQBMDGASI-RWMBFGLXSA-N 0 3 274.364 2.196 20 10 CECDHN C[N@@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424628 809929606 /nfs/dbraw/zinc/92/96/06/809929606.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN C[N@H+]1CC[C@@]2(CCN(Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424628 809929608 /nfs/dbraw/zinc/92/96/08/809929608.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@@]2(CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424628 809929611 /nfs/dbraw/zinc/92/96/11/809929611.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@@]2(CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C2)C1 ZINC000708424628 809929613 /nfs/dbraw/zinc/92/96/13/809929613.db2.gz YYEZGNPIRVJNRS-OAHLLOKOSA-N 0 3 282.334 2.198 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@@H](CC)C(N)=O ZINC000282379712 810757326 /nfs/dbraw/zinc/75/73/26/810757326.db2.gz FXBYTITVXWUXGO-ZDUSSCGKSA-N 0 3 264.369 2.258 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@@H](CC)C(N)=O ZINC000282379712 810757332 /nfs/dbraw/zinc/75/73/32/810757332.db2.gz FXBYTITVXWUXGO-ZDUSSCGKSA-N 0 3 264.369 2.258 20 10 CECDHN C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cc(Br)ccc1[O-] ZINC000379503407 811050989 /nfs/dbraw/zinc/05/09/89/811050989.db2.gz YJPVVQOTXFBZKE-VHSXEESVSA-N 0 3 299.212 2.337 20 10 CECDHN Cc1ccc(C)n1-c1ccc(-n2nncc2CN)cc1 ZINC001169310479 811484940 /nfs/dbraw/zinc/48/49/40/811484940.db2.gz XJVXZTAZZUORBA-UHFFFAOYSA-N 0 3 267.336 2.134 20 10 CECDHN Cc1nccn1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000385279894 813131915 /nfs/dbraw/zinc/13/19/15/813131915.db2.gz RSEIRWAFYNEFEA-UHFFFAOYSA-N 0 3 265.744 2.340 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)O ZINC000386742855 813188491 /nfs/dbraw/zinc/18/84/91/813188491.db2.gz YVRSUHPZBSMSIU-KWQFWETISA-N 0 3 273.760 2.303 20 10 CECDHN COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000389101796 813247686 /nfs/dbraw/zinc/24/76/86/813247686.db2.gz OOIPZRBSHJLKJB-QWHCGFSZSA-N 0 3 267.369 2.403 20 10 CECDHN COCC[C@H](COC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389172942 813248215 /nfs/dbraw/zinc/24/82/15/813248215.db2.gz LOCLEEBPWONXNI-OLZOCXBDSA-N 0 3 265.353 2.021 20 10 CECDHN COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000389101793 813248684 /nfs/dbraw/zinc/24/86/84/813248684.db2.gz OOIPZRBSHJLKJB-OLZOCXBDSA-N 0 3 267.369 2.403 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCc2cnccn2)c([O-])c1 ZINC000390105349 813259809 /nfs/dbraw/zinc/25/98/09/813259809.db2.gz ITQQEMZHCSOBIV-LBPRGKRZSA-N 0 3 257.337 2.384 20 10 CECDHN Cn1nnc2cc(C[N@@H+]3CCc4cccc([O-])c4C3)ccc21 ZINC001144643156 814144673 /nfs/dbraw/zinc/14/46/73/814144673.db2.gz DCVCASSZAJCMTH-UHFFFAOYSA-N 0 3 294.358 2.232 20 10 CECDHN Cn1nnc2cc(C[N@H+]3CCc4cccc([O-])c4C3)ccc21 ZINC001144643156 814144678 /nfs/dbraw/zinc/14/46/78/814144678.db2.gz DCVCASSZAJCMTH-UHFFFAOYSA-N 0 3 294.358 2.232 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](OC)C1 ZINC001116748884 814879739 /nfs/dbraw/zinc/87/97/39/814879739.db2.gz ZGOVNYLFVSEREP-QWRGUYRKSA-N 0 3 251.326 2.058 20 10 CECDHN CN(C1CC1)[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129528 815734216 /nfs/dbraw/zinc/73/42/16/815734216.db2.gz JDEILJZYYURBRE-CYBMUJFWSA-N 0 3 264.344 2.200 20 10 CECDHN CN(C1CC1)[C@@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129528 815734223 /nfs/dbraw/zinc/73/42/23/815734223.db2.gz JDEILJZYYURBRE-CYBMUJFWSA-N 0 3 264.344 2.200 20 10 CECDHN CC[NH+](CC)C[C@H]1CN(Cc2cc(F)ccc2[O-])CCO1 ZINC001140055940 816178666 /nfs/dbraw/zinc/17/86/66/816178666.db2.gz BEDPIVARYQATHS-HNNXBMFYSA-N 0 3 296.386 2.074 20 10 CECDHN Cc1ccc(C)c(CN2CC[C@@](C)(O)[C@@H](F)C2)c1O ZINC001140178665 816204299 /nfs/dbraw/zinc/20/42/99/816204299.db2.gz TWRLUSYFIKNTLO-DZGCQCFKSA-N 0 3 267.344 2.304 20 10 CECDHN COC(=O)CC[N@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC001140954042 816424191 /nfs/dbraw/zinc/42/41/91/816424191.db2.gz KAFQDOGJZZPLAD-UHFFFAOYSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)CC[N@@H+](Cc1ccc(C)cc1[O-])C1CC1 ZINC001140954042 816424193 /nfs/dbraw/zinc/42/41/93/816424193.db2.gz KAFQDOGJZZPLAD-UHFFFAOYSA-N 0 3 263.337 2.228 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC(C)C)C2)c(OC)c1 ZINC001141029206 816450519 /nfs/dbraw/zinc/45/05/19/816450519.db2.gz MCDBCUZGQXKQCO-LBPRGKRZSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC(C)C)C2)c(OC)c1 ZINC001141029206 816450522 /nfs/dbraw/zinc/45/05/22/816450522.db2.gz MCDBCUZGQXKQCO-LBPRGKRZSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc(O)c(CN2CCC[C@@H](C(C)=O)C2)c(OC)c1 ZINC001141029583 816451550 /nfs/dbraw/zinc/45/15/50/816451550.db2.gz WQNHZOTXQXNEII-GFCCVEGCSA-N 0 3 293.363 2.210 20 10 CECDHN CN1CC2(C1)CN(Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141078642 816472174 /nfs/dbraw/zinc/47/21/74/816472174.db2.gz CFJNCNBAEBKYRA-UHFFFAOYSA-N 0 3 297.446 2.133 20 10 CECDHN CN1CCOc2cc(CN3CCC(F)CC3)ccc21 ZINC001141140810 816483717 /nfs/dbraw/zinc/48/37/17/816483717.db2.gz PNPZNMNSKGBSEH-UHFFFAOYSA-N 0 3 264.344 2.449 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@@H](C(F)(F)F)C2)c1 ZINC001141159797 816489972 /nfs/dbraw/zinc/48/99/72/816489972.db2.gz KLUVEYWVMZIYSD-SECBINFHSA-N 0 3 261.243 2.482 20 10 CECDHN CN(Cc1cc(O)ccc1O)C[C@@H]1CCCCO1 ZINC001141159187 816489992 /nfs/dbraw/zinc/48/99/92/816489992.db2.gz BLECUQGEISXXDX-ZDUSSCGKSA-N 0 3 251.326 2.099 20 10 CECDHN COc1ccc(O)c(CNCc2n[nH]c(C(C)(C)C)n2)c1 ZINC000839171375 816566669 /nfs/dbraw/zinc/56/66/69/816566669.db2.gz ZYXQCUNSRIZCGQ-UHFFFAOYSA-N 0 3 290.367 2.106 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CCOCC2)c1 ZINC000036319393 361841025 /nfs/dbraw/zinc/84/10/25/361841025.db2.gz RYZPLRJHHZYJOL-SNVBAGLBSA-N 0 3 251.326 2.230 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCOC2)c1 ZINC000037738142 361925461 /nfs/dbraw/zinc/92/54/61/361925461.db2.gz FYEHUCFLVKLYDN-GHMZBOCLSA-N 0 3 251.326 2.088 20 10 CECDHN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037782035 361935727 /nfs/dbraw/zinc/93/57/27/361935727.db2.gz IWVFYIFRMQJMNZ-NEPJUHHUSA-N 0 3 262.353 2.054 20 10 CECDHN CCOc1cccc(C[NH2+]CCCCCCO)c1[O-] ZINC000083495515 344077702 /nfs/dbraw/zinc/07/77/02/344077702.db2.gz UQXLMMWSFCPLAM-UHFFFAOYSA-N 0 3 267.369 2.433 20 10 CECDHN CCCOc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c([O-])c1 ZINC000179952969 344505165 /nfs/dbraw/zinc/50/51/65/344505165.db2.gz ZLPBHGBMTRLPAY-OAHLLOKOSA-N 0 3 290.407 2.461 20 10 CECDHN CCCOc1ccc(CN2CC[N@H+]3CCC[C@@H]3C2)c([O-])c1 ZINC000179952969 344505167 /nfs/dbraw/zinc/50/51/67/344505167.db2.gz ZLPBHGBMTRLPAY-OAHLLOKOSA-N 0 3 290.407 2.461 20 10 CECDHN COC(=O)CCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083513806 363777311 /nfs/dbraw/zinc/77/73/11/363777311.db2.gz PBVYNSDRXBOROV-UHFFFAOYSA-N 0 3 269.316 2.354 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](OC)C2)c1 ZINC000091772788 364072620 /nfs/dbraw/zinc/07/26/20/364072620.db2.gz GVFINSWOBLCLGE-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](OC)C2)c1 ZINC000091772788 364072622 /nfs/dbraw/zinc/07/26/22/364072622.db2.gz GVFINSWOBLCLGE-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(O)c(CN2CCC[C@@H](OC)C2)c1 ZINC000091772788 364072624 /nfs/dbraw/zinc/07/26/24/364072624.db2.gz GVFINSWOBLCLGE-CQSZACIVSA-N 0 3 265.353 2.402 20 10 CECDHN O=C1CCCN1C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180075184 368367035 /nfs/dbraw/zinc/36/70/35/368367035.db2.gz ACPFSOQSGKCPPG-UHFFFAOYSA-N 0 3 292.354 2.118 20 10 CECDHN COC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180139680 368368222 /nfs/dbraw/zinc/36/82/22/368368222.db2.gz DSPKASUIITUFNS-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN COC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180139680 368368225 /nfs/dbraw/zinc/36/82/25/368368225.db2.gz DSPKASUIITUFNS-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN CCN(Cc1cnn(C)c1)Cc1cccc(C)c1O ZINC000179838830 368353865 /nfs/dbraw/zinc/35/38/65/368353865.db2.gz XUUYWEBDZOBQBU-UHFFFAOYSA-N 0 3 259.353 2.456 20 10 CECDHN CC[N@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180225215 368373492 /nfs/dbraw/zinc/37/34/92/368373492.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 0 3 266.360 2.305 20 10 CECDHN CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000180225215 368373495 /nfs/dbraw/zinc/37/34/95/368373495.db2.gz OAZOTJRRSGBDTF-LBPRGKRZSA-N 0 3 266.360 2.305 20 10 CECDHN Cc1cccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000180683164 368392342 /nfs/dbraw/zinc/39/23/42/368392342.db2.gz RHFWDEYAKFTKBH-UONOGXRCSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1[O-] ZINC000180683164 368392346 /nfs/dbraw/zinc/39/23/46/368392346.db2.gz RHFWDEYAKFTKBH-UONOGXRCSA-N 0 3 279.405 2.407 20 10 CECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cccc(C)c2[O-])C1(C)C ZINC000188908031 369427574 /nfs/dbraw/zinc/42/75/74/369427574.db2.gz VREXSYRLETYNSF-YOEHRIQHSA-N 0 3 293.407 2.356 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249194524 371304774 /nfs/dbraw/zinc/30/47/74/371304774.db2.gz AUVCDYRXAOSFBO-SQWLQELKSA-N 0 3 277.364 2.448 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H]2CC(=O)N(C)C2)cc1 ZINC000268899180 372278108 /nfs/dbraw/zinc/27/81/08/372278108.db2.gz ZPUMCZSUWPLJEP-JSGCOSHPSA-N 0 3 275.396 2.024 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365938506 372960393 /nfs/dbraw/zinc/96/03/93/372960393.db2.gz WPKCAPPZNMOKLJ-BLLLJJGKSA-N 0 3 277.364 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000365938506 372960401 /nfs/dbraw/zinc/96/04/01/372960401.db2.gz WPKCAPPZNMOKLJ-BLLLJJGKSA-N 0 3 277.364 2.402 20 10 CECDHN CC[C@H](NCc1ccc2c(c1)CCO2)[C@H](O)C(F)(F)F ZINC000270966520 373037914 /nfs/dbraw/zinc/03/79/14/373037914.db2.gz ILMXHBLJAMGBIY-AAEUAGOBSA-N 0 3 289.297 2.413 20 10 CECDHN C[N@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271030348 373079085 /nfs/dbraw/zinc/07/90/85/373079085.db2.gz XZCLJWDJTDZYPN-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN C[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1[O-] ZINC000271030348 373079088 /nfs/dbraw/zinc/07/90/88/373079088.db2.gz XZCLJWDJTDZYPN-UHFFFAOYSA-N 0 3 257.333 2.483 20 10 CECDHN CN(C)c1ccc(CN(C)C[C@@H]2CCC[C@@H]2O)cc1F ZINC000271252671 373184571 /nfs/dbraw/zinc/18/45/71/373184571.db2.gz ITKJYTFDRWAHDH-BBRMVZONSA-N 0 3 280.387 2.485 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000368809975 373264277 /nfs/dbraw/zinc/26/42/77/373264277.db2.gz LJOHCGPUAWKVGK-ZBFHGGJFSA-N 0 3 277.364 2.335 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@]2(CCOC2)C1 ZINC000368809975 373264284 /nfs/dbraw/zinc/26/42/84/373264284.db2.gz LJOHCGPUAWKVGK-ZBFHGGJFSA-N 0 3 277.364 2.335 20 10 CECDHN CC(=O)NC1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000272800430 373661628 /nfs/dbraw/zinc/66/16/28/373661628.db2.gz BHHFFJHWAGEBRD-LMWSTFAQSA-N 0 3 276.380 2.490 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273347924 373753849 /nfs/dbraw/zinc/75/38/49/373753849.db2.gz BBHLHQWMNUBPDS-STQMWFEESA-N 0 3 267.369 2.057 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273544109 373761768 /nfs/dbraw/zinc/76/17/68/373761768.db2.gz ZANZIHCMVYALFP-GFCCVEGCSA-N 0 3 278.396 2.432 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCc3c[nH]nc3C2)cc1C ZINC000374544132 374595367 /nfs/dbraw/zinc/59/53/67/374595367.db2.gz DNFQJQMGFIWXMB-AWEZNQCLSA-N 0 3 271.364 2.379 20 10 CECDHN CN(C)c1ccc(C2=CCN(CCn3cccn3)C2)cc1 ZINC000374786423 374629716 /nfs/dbraw/zinc/62/97/16/374629716.db2.gz ZFHIQHUGFWTDRL-UHFFFAOYSA-N 0 3 282.391 2.348 20 10 CECDHN COC(=O)CC1(C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC000281629972 375390235 /nfs/dbraw/zinc/39/02/35/375390235.db2.gz LICXWPZYVCTZTN-UHFFFAOYSA-N 0 3 263.337 2.167 20 10 CECDHN COC(=O)CC1(C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000281629972 375390242 /nfs/dbraw/zinc/39/02/42/375390242.db2.gz LICXWPZYVCTZTN-UHFFFAOYSA-N 0 3 263.337 2.167 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC000282151190 375415797 /nfs/dbraw/zinc/41/57/97/375415797.db2.gz HQWBYDJUEWTXOR-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000282764400 375568074 /nfs/dbraw/zinc/56/80/74/375568074.db2.gz PCDSFBTUDPFUPC-MLGOLLRUSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1C ZINC000282764400 375568082 /nfs/dbraw/zinc/56/80/82/375568082.db2.gz PCDSFBTUDPFUPC-MLGOLLRUSA-N 0 3 277.364 2.332 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCOC[C@H]2C)c1 ZINC000289195515 376389557 /nfs/dbraw/zinc/38/95/57/376389557.db2.gz AZXKMAQSBZEMEN-VXGBXAGGSA-N 0 3 265.353 2.163 20 10 CECDHN COC[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000294252981 377956480 /nfs/dbraw/zinc/95/64/80/377956480.db2.gz QBSQFRDLGXFPRU-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@]1(C)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000294252981 377956484 /nfs/dbraw/zinc/95/64/84/377956484.db2.gz QBSQFRDLGXFPRU-OAHLLOKOSA-N 0 3 265.353 2.259 20 10 CECDHN CC[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@@H](O)C(F)F ZINC000295114511 378042685 /nfs/dbraw/zinc/04/26/85/378042685.db2.gz VMMFCMSSUUPQCP-DGCLKSJQSA-N 0 3 290.329 2.386 20 10 CECDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@H](O)C(F)F ZINC000295128603 378043504 /nfs/dbraw/zinc/04/35/04/378043504.db2.gz XROMJWSRHATHKA-JQWIXIFHSA-N 0 3 259.296 2.195 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000294804138 378020673 /nfs/dbraw/zinc/02/06/73/378020673.db2.gz PEKPETZJTQNDLP-CHWSQXEVSA-N 0 3 288.391 2.423 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000294838142 378022204 /nfs/dbraw/zinc/02/22/04/378022204.db2.gz RPPYVHGYCOUOIA-BBRMVZONSA-N 0 3 293.407 2.447 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C2CCOCC2)c([O-])c1 ZINC000294838145 378022686 /nfs/dbraw/zinc/02/26/86/378022686.db2.gz RPPYVHGYCOUOIA-CJNGLKHVSA-N 0 3 293.407 2.447 20 10 CECDHN Cc1noc(CCC[NH2+][C@@H]2CCc3cccc([O-])c32)n1 ZINC000296671944 378613129 /nfs/dbraw/zinc/61/31/29/378613129.db2.gz FVSPLUMFGNGKMU-GFCCVEGCSA-N 0 3 273.336 2.293 20 10 CECDHN Cc1noc(CCC[NH2+][C@H]2CCc3cccc([O-])c32)n1 ZINC000296671946 378613200 /nfs/dbraw/zinc/61/32/00/378613200.db2.gz FVSPLUMFGNGKMU-LBPRGKRZSA-N 0 3 273.336 2.293 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H]1SC ZINC000298229939 378695957 /nfs/dbraw/zinc/69/59/57/378695957.db2.gz BFEQGBFOIFCXHF-IACUBPJLSA-N 0 3 267.394 2.391 20 10 CECDHN CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1ccccc1[O-] ZINC000185214231 262302477 /nfs/dbraw/zinc/30/24/77/262302477.db2.gz OMPOOZVQDMZWLC-LBPRGKRZSA-N 0 3 264.369 2.205 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000051991916 394557036 /nfs/dbraw/zinc/55/70/36/394557036.db2.gz LDEBEVOUTOHZAM-XEGUGMAKSA-N 0 3 265.353 2.355 20 10 CECDHN C[C@H]1SCCN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000118381774 394760660 /nfs/dbraw/zinc/76/06/60/394760660.db2.gz RZMFINMSBWQIDD-VHSXEESVSA-N 0 3 281.377 2.447 20 10 CECDHN CC[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000121107786 394791982 /nfs/dbraw/zinc/79/19/82/394791982.db2.gz YESDNKZCLXRIET-ZDUSSCGKSA-N 0 3 297.420 2.258 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](C)CC[S@](C)=O)c1[O-] ZINC000125566614 394843948 /nfs/dbraw/zinc/84/39/48/394843948.db2.gz BGCMNPWYVLVSIQ-JEOXALJRSA-N 0 3 285.409 2.038 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000368134289 394979625 /nfs/dbraw/zinc/97/96/25/394979625.db2.gz LOZWOGXCEDREFR-CYBMUJFWSA-N 0 3 287.363 2.124 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1[O-] ZINC000368134289 394979629 /nfs/dbraw/zinc/97/96/29/394979629.db2.gz LOZWOGXCEDREFR-CYBMUJFWSA-N 0 3 287.363 2.124 20 10 CECDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373483713 395062111 /nfs/dbraw/zinc/06/21/11/395062111.db2.gz VUEYXNMJDVPQFJ-GOEBONIOSA-N 0 3 277.364 2.162 20 10 CECDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@]2(CCOC2)O1 ZINC000373483713 395062115 /nfs/dbraw/zinc/06/21/15/395062115.db2.gz VUEYXNMJDVPQFJ-GOEBONIOSA-N 0 3 277.364 2.162 20 10 CECDHN C[C@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289740639 395085648 /nfs/dbraw/zinc/08/56/48/395085648.db2.gz QCYHBWOHOAYDMP-ZFWWWQNUSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289740639 395085649 /nfs/dbraw/zinc/08/56/49/395085649.db2.gz QCYHBWOHOAYDMP-ZFWWWQNUSA-N 0 3 260.381 2.451 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000182899125 395250419 /nfs/dbraw/zinc/25/04/19/395250419.db2.gz RBSQWFADHBJVNR-RDJZCZTQSA-N 0 3 269.344 2.482 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1Cc2ccccc2[C@@H]1O ZINC000182899125 395250422 /nfs/dbraw/zinc/25/04/22/395250422.db2.gz RBSQWFADHBJVNR-RDJZCZTQSA-N 0 3 269.344 2.482 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1OC ZINC000293828749 395252007 /nfs/dbraw/zinc/25/20/07/395252007.db2.gz AMQGYGXFXQGBIQ-BZNIZROVSA-N 0 3 295.379 2.050 20 10 CECDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN1CCOCC1 ZINC000183522681 395258882 /nfs/dbraw/zinc/25/88/82/395258882.db2.gz PFXKCNJYRUBJLJ-KBPBESRZSA-N 0 3 278.396 2.011 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293999740 395261361 /nfs/dbraw/zinc/26/13/61/395261361.db2.gz MENXVLHOIRDAGH-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293999740 395261364 /nfs/dbraw/zinc/26/13/64/395261364.db2.gz MENXVLHOIRDAGH-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000529682973 395431613 /nfs/dbraw/zinc/43/16/13/395431613.db2.gz YCNUJHNQUGVKMR-BIENJYKASA-N 0 3 279.405 2.186 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1[O-] ZINC000529682973 395431616 /nfs/dbraw/zinc/43/16/16/395431616.db2.gz YCNUJHNQUGVKMR-BIENJYKASA-N 0 3 279.405 2.186 20 10 CECDHN C[NH+](C)[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000160247257 261209389 /nfs/dbraw/zinc/20/93/89/261209389.db2.gz GUUOXRFPCNYWRI-LBPRGKRZSA-N 0 3 252.333 2.057 20 10 CECDHN CCCNC(=O)CN[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184881886 262032281 /nfs/dbraw/zinc/03/22/81/262032281.db2.gz KGLFZWVBQMHLSE-GFCCVEGCSA-N 0 3 290.407 2.448 20 10 CECDHN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(F)ccc1[O-] ZINC000184917431 262033271 /nfs/dbraw/zinc/03/32/71/262033271.db2.gz IYEXQCBQQAEULH-JTQLQIEISA-N 0 3 292.310 2.205 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCOCC2)c([O-])c1 ZINC000185450016 262054811 /nfs/dbraw/zinc/05/48/11/262054811.db2.gz ZSGJQMWLYODEHG-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000186029817 262076148 /nfs/dbraw/zinc/07/61/48/262076148.db2.gz ZMOCEMRNESHUQO-VXGBXAGGSA-N 0 3 285.409 2.174 20 10 CECDHN C[C@@H]([NH2+]CCCOCCO)c1cc2c(cc1[O-])CCCC2 ZINC000186514370 262096318 /nfs/dbraw/zinc/09/63/18/262096318.db2.gz XQNKZLGJGJBFDG-CYBMUJFWSA-N 0 3 293.407 2.321 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccc(C)cc1[O-] ZINC000279949800 263058508 /nfs/dbraw/zinc/05/85/08/263058508.db2.gz BQHMZDCXHXRNLQ-OCCSQVGLSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1 ZINC000293829005 263150589 /nfs/dbraw/zinc/15/05/89/263150589.db2.gz SHUQZICHBSWBSP-OAHLLOKOSA-N 0 3 292.423 2.382 20 10 CECDHN C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297944508 263212504 /nfs/dbraw/zinc/21/25/04/263212504.db2.gz YIKIVNRQKBWCEV-BNOWGMLFSA-N 0 3 277.364 2.163 20 10 CECDHN COc1cccc([C@H](O)C[NH2+]Cc2ccccc2[O-])c1 ZINC000134521945 264512113 /nfs/dbraw/zinc/51/21/13/264512113.db2.gz BCPHWVBLRISSPF-MRXNPFEDSA-N 0 3 273.332 2.224 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699283 267110917 /nfs/dbraw/zinc/11/09/17/267110917.db2.gz HMFADFIMMOOZPG-AAEUAGOBSA-N 0 3 262.353 2.041 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367699283 267110920 /nfs/dbraw/zinc/11/09/20/267110920.db2.gz HMFADFIMMOOZPG-AAEUAGOBSA-N 0 3 262.353 2.041 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368443161 267173005 /nfs/dbraw/zinc/17/30/05/267173005.db2.gz SFENKAXIXBOBJV-LBPRGKRZSA-N 0 3 277.364 2.259 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cccc(C)c2[O-])CC12CCC2 ZINC000369645186 267256932 /nfs/dbraw/zinc/25/69/32/267256932.db2.gz AVXLOFPVONSMIU-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])CC12CCC2 ZINC000369645186 267256936 /nfs/dbraw/zinc/25/69/36/267256936.db2.gz AVXLOFPVONSMIU-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000296275279 277158310 /nfs/dbraw/zinc/15/83/10/277158310.db2.gz CARHCBOTSOTCSF-QWHCGFSZSA-N 0 3 288.391 2.369 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C2CC2)C(C)(C)CO)c1[O-] ZINC000290814707 278012443 /nfs/dbraw/zinc/01/24/43/278012443.db2.gz GKIMURTYVZKWTJ-HNNXBMFYSA-N 0 3 279.380 2.288 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296666491 289503314 /nfs/dbraw/zinc/50/33/14/289503314.db2.gz FPJAABBICDOWBD-QAMHXRKUSA-N 0 3 267.394 2.126 20 10 CECDHN CN(C)c1ccc(CNC[C@](C)(O)C(F)(F)F)cc1F ZINC000270452015 328193325 /nfs/dbraw/zinc/19/33/25/328193325.db2.gz CMURTLLMWWUWRH-LBPRGKRZSA-N 0 3 294.292 2.295 20 10 CECDHN Cc1cccc(C[NH2+]CC2([S@](C)=O)CCC2)c1[O-] ZINC000281873173 327609104 /nfs/dbraw/zinc/60/91/04/327609104.db2.gz UVQTWUAKJKKZTH-SFHVURJKSA-N 0 3 267.394 2.091 20 10 CECDHN COC[C@@H](C)N1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000378535378 329054292 /nfs/dbraw/zinc/05/42/92/329054292.db2.gz AJOIPUDLZMCBFN-CYBMUJFWSA-N 0 3 260.381 2.487 20 10 CECDHN CO[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000378628097 329057022 /nfs/dbraw/zinc/05/70/22/329057022.db2.gz CFNBYYPGXZNZAI-LBPRGKRZSA-N 0 3 279.336 2.122 20 10 CECDHN CO[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000378628097 329057024 /nfs/dbraw/zinc/05/70/24/329057024.db2.gz CFNBYYPGXZNZAI-LBPRGKRZSA-N 0 3 279.336 2.122 20 10 CECDHN COc1cccc(CN[C@@]2(CO)CCc3ccccc32)c1O ZINC000135910261 329669165 /nfs/dbraw/zinc/66/91/65/329669165.db2.gz HJNWXXLIIMQERX-GOSISDBHSA-N 0 3 299.370 2.324 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@]2(C)OCC)c([O-])c1 ZINC000527782991 330283208 /nfs/dbraw/zinc/28/32/08/330283208.db2.gz DJTIMXOLUWWJNN-CABCVRRESA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(F)ccc1[O-] ZINC000527984123 330298593 /nfs/dbraw/zinc/29/85/93/330298593.db2.gz WNCNBIHQOATKBZ-NAUIOFCNSA-N 0 3 251.301 2.361 20 10 CECDHN COc1cccc(C[NH2+]CCCCCCO)c1[O-] ZINC000083396283 330357738 /nfs/dbraw/zinc/35/77/38/330357738.db2.gz QLKYYUKYKGTMNX-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230664179 333320030 /nfs/dbraw/zinc/32/00/30/333320030.db2.gz NLTIHQNIFIVZBM-RISCZKNCSA-N 0 3 267.369 2.458 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCC[C@H](C)CO)c1 ZINC000230669730 333320238 /nfs/dbraw/zinc/32/02/38/333320238.db2.gz FCCDDBYQABVROY-NWDGAFQWSA-N 0 3 267.369 2.460 20 10 CECDHN CCCCOCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000040506247 520783025 /nfs/dbraw/zinc/78/30/25/520783025.db2.gz IYZXOZHMYOKRCD-UHFFFAOYSA-N 0 3 253.342 2.307 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC[C@H](C)OC)c1 ZINC000263844103 521152615 /nfs/dbraw/zinc/15/26/15/521152615.db2.gz ZGYNEWUOZHLULQ-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN CC(C)C[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000290551225 519217448 /nfs/dbraw/zinc/21/74/48/519217448.db2.gz RUTWCPZXOFXQMW-ZDUSSCGKSA-N 0 3 255.333 2.370 20 10 CECDHN CC(C)C[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000290551225 519217453 /nfs/dbraw/zinc/21/74/53/519217453.db2.gz RUTWCPZXOFXQMW-ZDUSSCGKSA-N 0 3 255.333 2.370 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000275551527 521152887 /nfs/dbraw/zinc/15/28/87/521152887.db2.gz CCHHDZDHJSIHJE-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](CC)CCO)c1[O-] ZINC000094948290 521365099 /nfs/dbraw/zinc/36/50/99/521365099.db2.gz AVCVRXIZMRJZFH-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)C1CC1 ZINC000290066068 521689591 /nfs/dbraw/zinc/68/95/91/521689591.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 0 3 292.423 2.059 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN(C)C1CC1 ZINC000290066068 521689595 /nfs/dbraw/zinc/68/95/95/521689595.db2.gz TVDSVLDHLBJKKZ-INIZCTEOSA-N 0 3 292.423 2.059 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)C1CC1 ZINC000290066072 521689816 /nfs/dbraw/zinc/68/98/16/521689816.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 0 3 292.423 2.059 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CN(C)C1CC1 ZINC000290066072 521689819 /nfs/dbraw/zinc/68/98/19/521689819.db2.gz TVDSVLDHLBJKKZ-MRXNPFEDSA-N 0 3 292.423 2.059 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296249752 521732915 /nfs/dbraw/zinc/73/29/15/521732915.db2.gz BDFWVIIPJSKKRV-GFCCVEGCSA-N 0 3 276.380 2.131 20 10 CECDHN CC[C@@H]([NH2+][C@H](CCO)COC)c1ccc(C)cc1[O-] ZINC000280018457 522943640 /nfs/dbraw/zinc/94/36/40/522943640.db2.gz HECPOCHVENVTDQ-TZMCWYRMSA-N 0 3 267.369 2.139 20 10 CECDHN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(N)CC1 ZINC000088130905 523261228 /nfs/dbraw/zinc/26/12/28/523261228.db2.gz GCHVNEMDSLOISK-UHFFFAOYSA-N 0 3 287.407 2.127 20 10 CECDHN COCCC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264760743 523262719 /nfs/dbraw/zinc/26/27/19/523262719.db2.gz YREKJQKZGQPARF-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN COCCC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000264760743 523262730 /nfs/dbraw/zinc/26/27/30/523262730.db2.gz YREKJQKZGQPARF-OAHLLOKOSA-N 0 3 279.380 2.410 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)Cc2ccccc2)c1 ZINC000063218420 524753663 /nfs/dbraw/zinc/75/36/63/524753663.db2.gz YMCSHWQDFYPPSC-OAHLLOKOSA-N 0 3 287.359 2.094 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN2CC=CCC2)c1 ZINC000280972455 524769690 /nfs/dbraw/zinc/76/96/90/524769690.db2.gz LKUFESRJCBAWOD-ZDUSSCGKSA-N 0 3 276.380 2.313 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)CN2CCOCC2)cc1C ZINC000278616969 525314089 /nfs/dbraw/zinc/31/40/89/525314089.db2.gz DTHFSPGDEZQGGJ-OAHLLOKOSA-N 0 3 292.423 2.162 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)[C@H](C)CN2CCOCC2)cc1C ZINC000278616969 525314092 /nfs/dbraw/zinc/31/40/92/525314092.db2.gz DTHFSPGDEZQGGJ-OAHLLOKOSA-N 0 3 292.423 2.162 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1 ZINC000285573325 525353052 /nfs/dbraw/zinc/35/30/52/525353052.db2.gz UNNJBRQIFURYBV-CZUORRHYSA-N 0 3 290.407 2.484 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@H]2CCOC2)c([O-])c1C ZINC000280975241 525925334 /nfs/dbraw/zinc/92/53/34/525925334.db2.gz VUFYSOYOOUCCGM-SOUVJXGZSA-N 0 3 293.407 2.305 20 10 CECDHN Cc1cc(Br)cc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289494196 526156617 /nfs/dbraw/zinc/15/66/17/526156617.db2.gz SBKLEVQOEOVIBR-VIFPVBQESA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289494196 526156626 /nfs/dbraw/zinc/15/66/26/526156626.db2.gz SBKLEVQOEOVIBR-VIFPVBQESA-N 0 3 288.185 2.276 20 10 CECDHN Cc1nccnc1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297475495 527452219 /nfs/dbraw/zinc/45/22/19/527452219.db2.gz YVEQPZJMRLXMHO-AWEZNQCLSA-N 0 3 269.348 2.310 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)Cn1ccnc1C ZINC000729681230 574490790 /nfs/dbraw/zinc/49/07/90/574490790.db2.gz KKHQJVPSAKZPGK-GFCCVEGCSA-N 0 3 289.379 2.332 20 10 CECDHN CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000760884212 574518146 /nfs/dbraw/zinc/51/81/46/574518146.db2.gz FIXNYMICFTWSDV-UXIGCNINSA-N 0 3 265.353 2.237 20 10 CECDHN CN(C)C(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204295 574614738 /nfs/dbraw/zinc/61/47/38/574614738.db2.gz HZXULQMVUIHIQE-UHFFFAOYSA-N 0 3 276.380 2.225 20 10 CECDHN CN(C)C(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000732204295 574614740 /nfs/dbraw/zinc/61/47/40/574614740.db2.gz HZXULQMVUIHIQE-UHFFFAOYSA-N 0 3 276.380 2.225 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)Cc2cnccn2)c1 ZINC000733326020 574664208 /nfs/dbraw/zinc/66/42/08/574664208.db2.gz DGDKMKCWISLPJE-LBPRGKRZSA-N 0 3 257.337 2.211 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2cnn(CC)c2)c([O-])c1 ZINC000735676045 574764076 /nfs/dbraw/zinc/76/40/76/574764076.db2.gz DWSMLERODHPEFL-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000741139158 574977044 /nfs/dbraw/zinc/97/70/44/574977044.db2.gz DBBUXIZVWUKJQU-ZIAGYGMSSA-N 0 3 289.423 2.242 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC(=O)OC(C)(C)C ZINC000742372537 575018181 /nfs/dbraw/zinc/01/81/81/575018181.db2.gz PFALPNYPYKHYNH-UHFFFAOYSA-N 0 3 281.352 2.222 20 10 CECDHN CCOc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000744450347 575121673 /nfs/dbraw/zinc/12/16/73/575121673.db2.gz RYFWBMCPJDUIHJ-ZDUSSCGKSA-N 0 3 278.396 2.222 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)c([O-])c1 ZINC000746756651 575163989 /nfs/dbraw/zinc/16/39/89/575163989.db2.gz VPULBTSBUXGATC-QWHCGFSZSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])c1ccco1 ZINC000180823067 628094897 /nfs/dbraw/zinc/09/48/97/628094897.db2.gz ZZEGWMRDDXKXJN-AWEZNQCLSA-N 0 3 265.284 2.122 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CCC1(O)CCC1)c1ccccc1[O-] ZINC000931556484 628695307 /nfs/dbraw/zinc/69/53/07/628695307.db2.gz DCLBBHMUNZLGDC-STQMWFEESA-N 0 3 279.380 2.099 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH+](C)C)[C@@H]2C)c1[O-] ZINC000314399511 628751470 /nfs/dbraw/zinc/75/14/70/628751470.db2.gz XASFWSBKQGRZTI-BONVTDFDSA-N 0 3 294.370 2.258 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C)cc1[O-] ZINC000794800018 629323432 /nfs/dbraw/zinc/32/34/32/629323432.db2.gz BFEMEYPHCDPTPZ-KGLIPLIRSA-N 0 3 276.380 2.362 20 10 CECDHN CC1=C(C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794878379 629345009 /nfs/dbraw/zinc/34/50/09/629345009.db2.gz CQRHWGAWGKHNOQ-HNNXBMFYSA-N 0 3 275.348 2.360 20 10 CECDHN CC1=C(C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000794878379 629345012 /nfs/dbraw/zinc/34/50/12/629345012.db2.gz CQRHWGAWGKHNOQ-HNNXBMFYSA-N 0 3 275.348 2.360 20 10 CECDHN COCCC1(C)CN(Cc2ccc(OC)c(OC)c2O)C1 ZINC000894838913 629677405 /nfs/dbraw/zinc/67/74/05/629677405.db2.gz FLCOCGXEADGJEK-UHFFFAOYSA-N 0 3 295.379 2.268 20 10 CECDHN COC(OC)[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000895790568 630346262 /nfs/dbraw/zinc/34/62/62/630346262.db2.gz SCVFFFYZPJJBEQ-GFCCVEGCSA-N 0 3 266.385 2.158 20 10 CECDHN C[C@]1([C@@H]2CCC[N@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397032 630552889 /nfs/dbraw/zinc/55/28/89/630552889.db2.gz ULMKPOOOAGFNJA-CZUORRHYSA-N 0 3 290.363 2.103 20 10 CECDHN C[C@]1([C@@H]2CCC[N@@H+](Cc3ccccc3[O-])C2)COC(=O)N1 ZINC000896397032 630552892 /nfs/dbraw/zinc/55/28/92/630552892.db2.gz ULMKPOOOAGFNJA-CZUORRHYSA-N 0 3 290.363 2.103 20 10 CECDHN COCC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000798940875 630954433 /nfs/dbraw/zinc/95/44/33/630954433.db2.gz OJLCNYZNCMQNON-CKYFFXLPSA-N 0 3 283.343 2.067 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c([O-])c1 ZINC000897258533 631023651 /nfs/dbraw/zinc/02/36/51/631023651.db2.gz UBZPCFOBKWPADA-OAHLLOKOSA-N 0 3 291.391 2.207 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCCOC(F)F ZINC000800895660 631152266 /nfs/dbraw/zinc/15/22/66/631152266.db2.gz UBQMPZVGZTXXHG-UHFFFAOYSA-N 0 3 261.268 2.120 20 10 CECDHN COCCO[C@@H]1CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000802653570 631440283 /nfs/dbraw/zinc/44/02/83/631440283.db2.gz YXOJTTWFPCIKIX-CYBMUJFWSA-N 0 3 295.379 2.028 20 10 CECDHN COCCO[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000802653570 631440288 /nfs/dbraw/zinc/44/02/88/631440288.db2.gz YXOJTTWFPCIKIX-CYBMUJFWSA-N 0 3 295.379 2.028 20 10 CECDHN C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1cc([O-])cs1 ZINC000807776954 631870863 /nfs/dbraw/zinc/87/08/63/631870863.db2.gz JILBXJLCAOGLTH-PWSUYJOCSA-N 0 3 280.393 2.153 20 10 CECDHN C[C@@H]1[C@@H](N2CCCC2)CCN1C(=O)C1=CC(=O)CS1 ZINC000807776954 631870867 /nfs/dbraw/zinc/87/08/67/631870867.db2.gz JILBXJLCAOGLTH-PWSUYJOCSA-N 0 3 280.393 2.153 20 10 CECDHN C[C@@]1([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CCNC1=O ZINC000897870972 631952816 /nfs/dbraw/zinc/95/28/16/631952816.db2.gz DGVRUXFDMAUDJR-GOSISDBHSA-N 0 3 296.370 2.427 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@H](O)C2CC2)c([O-])c1 ZINC000898206836 632086476 /nfs/dbraw/zinc/08/64/76/632086476.db2.gz WXCSHLPVGQXWNS-AWEZNQCLSA-N 0 3 265.353 2.042 20 10 CECDHN COc1cccc(CNCc2cnc([C@H](C)O)s2)c1O ZINC000809741161 632136765 /nfs/dbraw/zinc/13/67/65/632136765.db2.gz LFYGYDDCJNCRFP-VIFPVBQESA-N 0 3 294.376 2.200 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392939 632475521 /nfs/dbraw/zinc/47/55/21/632475521.db2.gz ZCVPSNQMLQYEJD-HOCLYGCPSA-N 0 3 273.307 2.279 20 10 CECDHN Cl/C=C\CNCc1ccc(N2CCOCC2)cc1 ZINC000898435577 632496704 /nfs/dbraw/zinc/49/67/04/632496704.db2.gz JJHKEESZEPYIHI-BHQIHCQQSA-N 0 3 266.772 2.365 20 10 CECDHN CCC[N@H+](CC)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000812394650 632521281 /nfs/dbraw/zinc/52/12/81/632521281.db2.gz UHWOCPVEMUIMAL-JTQLQIEISA-N 0 3 270.398 2.304 20 10 CECDHN CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cc([O-])cs1 ZINC000812394650 632521287 /nfs/dbraw/zinc/52/12/87/632521287.db2.gz UHWOCPVEMUIMAL-JTQLQIEISA-N 0 3 270.398 2.304 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000927147013 632594425 /nfs/dbraw/zinc/59/44/25/632594425.db2.gz IKSAVTGBIUBVEL-BFLSOPEQSA-N 0 3 265.328 2.440 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)Cc1cnc[nH]1 ZINC000826769252 635842608 /nfs/dbraw/zinc/84/26/08/635842608.db2.gz JXBFMRSJALMPOW-UHFFFAOYSA-N 0 3 258.369 2.416 20 10 CECDHN Cc1n[nH]c(CC[NH2+]Cc2ccc3ccccc3c2[O-])n1 ZINC000816566563 633414331 /nfs/dbraw/zinc/41/43/31/633414331.db2.gz YZXPQPNAKFZNGF-UHFFFAOYSA-N 0 3 282.347 2.304 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817586432 633702609 /nfs/dbraw/zinc/70/26/09/633702609.db2.gz OHURZPNDUHJIPN-NSHDSACASA-N 0 3 262.353 2.007 20 10 CECDHN CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000817590160 633703740 /nfs/dbraw/zinc/70/37/40/633703740.db2.gz UYYSORBSIZSHAG-QWHCGFSZSA-N 0 3 276.380 2.301 20 10 CECDHN CC[NH2+]CCN[C@H](C)c1ccc(Br)cc1[O-] ZINC000817951975 633795935 /nfs/dbraw/zinc/79/59/35/633795935.db2.gz MBZVARDEHAAEEN-SECBINFHSA-N 0 3 287.201 2.415 20 10 CECDHN C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(Cl)ccc1[O-] ZINC000817952542 633796947 /nfs/dbraw/zinc/79/69/47/633796947.db2.gz RMZBOPIPBXVTON-ONGXEEELSA-N 0 3 254.761 2.448 20 10 CECDHN COC[C@]1(CN[C@H](C)c2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000817975888 633818198 /nfs/dbraw/zinc/81/81/98/633818198.db2.gz ZFQJCUFJJWNQEJ-IAQYHMDHSA-N 0 3 298.814 2.465 20 10 CECDHN C[C@@H](N[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978412 633822091 /nfs/dbraw/zinc/82/20/91/633822091.db2.gz ANDODRPTPCNCFF-BXUZGUMPSA-N 0 3 283.366 2.400 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1[O-] ZINC000903387306 635098573 /nfs/dbraw/zinc/09/85/73/635098573.db2.gz GRTFNBYKOWNZSE-IUODEOHRSA-N 0 3 277.364 2.381 20 10 CECDHN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cc(F)ccc1[O-] ZINC000903406157 635102090 /nfs/dbraw/zinc/10/20/90/635102090.db2.gz GZZFINDKWOMNGD-RNCFNFMXSA-N 0 3 253.317 2.343 20 10 CECDHN CCOc1ccc(C[NH2+]CCC(C)(C)CO)c([O-])c1 ZINC000824603201 635461487 /nfs/dbraw/zinc/46/14/87/635461487.db2.gz NRQWNUIXLSQOSI-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN Cc1cc([O-])c(C[N@@H+](C)CC2CN(C)C2)c(Cl)c1 ZINC000827124771 636224716 /nfs/dbraw/zinc/22/47/16/636224716.db2.gz DNQXDUIQISAFAB-UHFFFAOYSA-N 0 3 268.788 2.347 20 10 CECDHN Cc1cc([O-])c(C[N@H+](C)CC2CN(C)C2)c(Cl)c1 ZINC000827124771 636224719 /nfs/dbraw/zinc/22/47/19/636224719.db2.gz DNQXDUIQISAFAB-UHFFFAOYSA-N 0 3 268.788 2.347 20 10 CECDHN CC(C)[C@@H](C(=O)N[C@@H](C)c1ccccc1O)N(C)C ZINC000827973480 636476063 /nfs/dbraw/zinc/47/60/63/636476063.db2.gz QVVGPYDZIXDCEA-FZMZJTMJSA-N 0 3 264.369 2.156 20 10 CECDHN COc1ccc(O)c(CN2CCCc3n[nH]cc3C2)c1 ZINC000828013823 636486365 /nfs/dbraw/zinc/48/63/65/636486365.db2.gz LNMVXBNPBFBHDT-UHFFFAOYSA-N 0 3 273.336 2.072 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)COc1ccccc1)CC2 ZINC000834502626 637848920 /nfs/dbraw/zinc/84/89/20/637848920.db2.gz RKSYMSZCMJOAED-GOEBONIOSA-N 0 3 299.370 2.409 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(CC3CC3)C1)CC2 ZINC000834575884 637876109 /nfs/dbraw/zinc/87/61/09/637876109.db2.gz PHUNMUDISQIDFU-CABCVRRESA-N 0 3 272.392 2.453 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOc1cccnc1)CC2 ZINC000834585156 637881493 /nfs/dbraw/zinc/88/14/93/637881493.db2.gz HLOYGSFZFNMPDX-CQSZACIVSA-N 0 3 270.332 2.443 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(O)Cc3ccccc3C1)CC2 ZINC000834597850 637886380 /nfs/dbraw/zinc/88/63/80/637886380.db2.gz KOFABTNNLVZGKZ-MRXNPFEDSA-N 0 3 295.382 2.499 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)CC2 ZINC000834624028 637893814 /nfs/dbraw/zinc/89/38/14/637893814.db2.gz DWWBYTNRJDTDNB-WFASDCNBSA-N 0 3 287.359 2.413 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000834881027 637976775 /nfs/dbraw/zinc/97/67/75/637976775.db2.gz YFPNTPITQMQABI-ZIBATOQPSA-N 0 3 283.343 2.233 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c([O-])c1 ZINC000835086402 638057245 /nfs/dbraw/zinc/05/72/45/638057245.db2.gz GZYPSBKLUHZFLQ-SMDDNHRTSA-N 0 3 265.353 2.448 20 10 CECDHN COC(=O)[C@H]1CC12CC[NH+](Cc1c(C)cccc1[O-])CC2 ZINC000876739247 650414264 /nfs/dbraw/zinc/41/42/64/650414264.db2.gz BTGBLZWRGKMILO-CQSZACIVSA-N 0 3 289.375 2.476 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000876798148 650436747 /nfs/dbraw/zinc/43/67/47/650436747.db2.gz FHHQRIOSJPFQPR-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000876798148 650436749 /nfs/dbraw/zinc/43/67/49/650436749.db2.gz FHHQRIOSJPFQPR-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN CCOCCN1CCN(Cc2cc(C)cc(C)c2O)CC1 ZINC000164315887 639363658 /nfs/dbraw/zinc/36/36/58/639363658.db2.gz UZHKPNVVVUTMLA-UHFFFAOYSA-N 0 3 292.423 2.163 20 10 CECDHN Cc1cc([O-])c(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c(Cl)c1 ZINC000840921216 639587262 /nfs/dbraw/zinc/58/72/62/639587262.db2.gz WETPAANLQGEIET-QWRGUYRKSA-N 0 3 266.772 2.005 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCN(C(C)C)C1=O ZINC000840934216 639591239 /nfs/dbraw/zinc/59/12/39/639591239.db2.gz OHLBJQWVMCJDCS-INIZCTEOSA-N 0 3 289.423 2.160 20 10 CECDHN C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(Cl)cc(F)c1[O-] ZINC000841059571 639636931 /nfs/dbraw/zinc/63/69/31/639636931.db2.gz UNOHLODDPGBTLI-UFBFGSQYSA-N 0 3 272.751 2.272 20 10 CECDHN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000228929740 639665829 /nfs/dbraw/zinc/66/58/29/639665829.db2.gz ILNVPJBTZVLAEC-QWHCGFSZSA-N 0 3 277.412 2.316 20 10 CECDHN Cc1ccc(C[NH2+]CCC(=O)Nc2ccccn2)c([O-])c1 ZINC000876979621 650517011 /nfs/dbraw/zinc/51/70/11/650517011.db2.gz MDISJMYXXWWJFU-UHFFFAOYSA-N 0 3 285.347 2.214 20 10 CECDHN C[C@H]([NH2+]CCc1ccn(C)n1)c1cc(F)ccc1[O-] ZINC000230899370 639805539 /nfs/dbraw/zinc/80/55/39/639805539.db2.gz UPPUAULYUSXUPI-JTQLQIEISA-N 0 3 263.316 2.158 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c([O-])c1 ZINC000877014486 650531785 /nfs/dbraw/zinc/53/17/85/650531785.db2.gz CODMMGLBZPUCPO-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841891074 639900767 /nfs/dbraw/zinc/90/07/67/639900767.db2.gz HOYUKQCSJTVLSD-BJHJDKERSA-N 0 3 255.745 2.357 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCN(C)CC(F)(F)F ZINC000877026518 650536610 /nfs/dbraw/zinc/53/66/10/650536610.db2.gz BRJJPPROHGOEOA-UHFFFAOYSA-N 0 3 276.302 2.284 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000877071630 650558924 /nfs/dbraw/zinc/55/89/24/650558924.db2.gz AXHJYDFWUINTSM-OAHLLOKOSA-N 0 3 261.321 2.291 20 10 CECDHN C[NH2+][C@H]1CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843045140 640249366 /nfs/dbraw/zinc/24/93/66/640249366.db2.gz MPPIMTJVYFTGLU-JTQLQIEISA-N 0 3 254.761 2.148 20 10 CECDHN C[N@H+](Cc1cccc(Br)c1[O-])C1CCNCC1 ZINC000843046714 640251357 /nfs/dbraw/zinc/25/13/57/640251357.db2.gz ZPDCVTXTWMSKLU-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN C[N@@H+](Cc1cccc(Br)c1[O-])C1CCNCC1 ZINC000843046714 640251359 /nfs/dbraw/zinc/25/13/59/640251359.db2.gz ZPDCVTXTWMSKLU-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN CCNCc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000843289576 640377336 /nfs/dbraw/zinc/37/73/36/640377336.db2.gz VDFGTJLKEMSVSI-UHFFFAOYSA-N 0 3 250.323 2.331 20 10 CECDHN CCCN(Cc1cc(F)cc(C(C)=O)c1[O-])[C@H]1CC[NH2+]C1 ZINC000843349433 640398016 /nfs/dbraw/zinc/39/80/16/640398016.db2.gz ZFQCVEPNFOUPHA-AWEZNQCLSA-N 0 3 294.370 2.308 20 10 CECDHN CCCCCN(CC(N)=O)Cc1ccc(C)cc1O ZINC000877181338 650613716 /nfs/dbraw/zinc/61/37/16/650613716.db2.gz APJFLNUOBOWVIQ-UHFFFAOYSA-N 0 3 264.369 2.178 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846204645 641220586 /nfs/dbraw/zinc/22/05/86/641220586.db2.gz AGNYHRXPPZXHBT-STQMWFEESA-N 0 3 288.391 2.362 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCCn2ccnn2)c([O-])c1 ZINC000126444754 650661744 /nfs/dbraw/zinc/66/17/44/650661744.db2.gz ZWIXJHKKYPXPRV-LBPRGKRZSA-N 0 3 260.341 2.033 20 10 CECDHN CCOC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877401301 650707751 /nfs/dbraw/zinc/70/77/51/650707751.db2.gz BGUZMDPFTVUQKG-GFCCVEGCSA-N 0 3 278.352 2.021 20 10 CECDHN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000848556434 642052194 /nfs/dbraw/zinc/05/21/94/642052194.db2.gz XQOUSSMAVCHTFO-IINYFYTJSA-N 0 3 287.787 2.402 20 10 CECDHN O[C@@H](CNCc1ccc2c(c1)CCCO2)c1ccco1 ZINC000921516121 642184782 /nfs/dbraw/zinc/18/47/82/642184782.db2.gz LDNNJVWNAJHHSF-AWEZNQCLSA-N 0 3 273.332 2.428 20 10 CECDHN C[C@H]([NH2+]CC1(N)CCC1)c1cc(F)cc(F)c1[O-] ZINC000817965157 642185482 /nfs/dbraw/zinc/18/54/82/642185482.db2.gz QLZKQRRZWKKWBL-QMMMGPOBSA-N 0 3 256.296 2.202 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929458 642199210 /nfs/dbraw/zinc/19/92/10/642199210.db2.gz XAZQGQVMFGMLGV-VIFPVBQESA-N 0 3 285.771 2.399 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929458 642199215 /nfs/dbraw/zinc/19/92/15/642199215.db2.gz XAZQGQVMFGMLGV-VIFPVBQESA-N 0 3 285.771 2.399 20 10 CECDHN COc1ncc(CNCc2ccc(OC)cc2O)s1 ZINC000877493142 650749252 /nfs/dbraw/zinc/74/92/52/650749252.db2.gz HAHXZOIFALNSJJ-UHFFFAOYSA-N 0 3 280.349 2.156 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000877529631 650769731 /nfs/dbraw/zinc/76/97/31/650769731.db2.gz JODDAWHFWSXPSH-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000877529631 650769736 /nfs/dbraw/zinc/76/97/36/650769736.db2.gz JODDAWHFWSXPSH-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN COc1ccc(N2CC[C@@H](NCc3conc3C)C2)cc1 ZINC000850346726 642675760 /nfs/dbraw/zinc/67/57/60/642675760.db2.gz IPGULCQTCHOALN-CQSZACIVSA-N 0 3 287.363 2.360 20 10 CECDHN Oc1cc2c(cc1CN[C@@H]1C[C@H](O)c3ccccc31)OCO2 ZINC000850372243 642685967 /nfs/dbraw/zinc/68/59/67/642685967.db2.gz RSFGNPBVXAQITJ-HIFRSBDPSA-N 0 3 299.326 2.389 20 10 CECDHN CC[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850529758 642743399 /nfs/dbraw/zinc/74/33/99/642743399.db2.gz SRANUMIRXQFOQA-NGZCFLSTSA-N 0 3 253.317 2.440 20 10 CECDHN OC[C@H](CC(F)F)NCc1ccc2c(c1)CCCO2 ZINC000922059242 642859772 /nfs/dbraw/zinc/85/97/72/642859772.db2.gz JRLMSECNCGDLQA-LBPRGKRZSA-N 0 3 271.307 2.117 20 10 CECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877655102 650835997 /nfs/dbraw/zinc/83/59/97/650835997.db2.gz OFCXAEWCNLBKJZ-CQSZACIVSA-N 0 3 275.348 2.442 20 10 CECDHN CCOCCN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000111164164 643703752 /nfs/dbraw/zinc/70/37/52/643703752.db2.gz MPINNWMESOGKAC-UHFFFAOYSA-N 0 3 292.423 2.163 20 10 CECDHN COC(=O)C[C@](C)([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000877706859 650862531 /nfs/dbraw/zinc/86/25/31/650862531.db2.gz JZOPUSZLXJBRBF-HNNXBMFYSA-N 0 3 263.337 2.214 20 10 CECDHN C[C@H]([NH2+]CC1(N)CCCC1)c1ccc(F)cc1[O-] ZINC000854222686 644016308 /nfs/dbraw/zinc/01/63/08/644016308.db2.gz KHCRNLWBJKECKU-JTQLQIEISA-N 0 3 252.333 2.453 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])[C@H]1SC ZINC000839067027 644138138 /nfs/dbraw/zinc/13/81/38/644138138.db2.gz MCBVBZSOTKXPNL-NWANDNLSSA-N 0 3 297.420 2.399 20 10 CECDHN CCC(=O)N1CCC([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000877756625 650899134 /nfs/dbraw/zinc/89/91/34/650899134.db2.gz ZMZBLBQJDYVBES-GFCCVEGCSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCNC2=O)c2c1c(F)ccc2[O-] ZINC000756395812 644643232 /nfs/dbraw/zinc/64/32/32/644643232.db2.gz JJNSDZCZXRILHF-ADEWGFFLSA-N 0 3 292.354 2.338 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000756534698 644659676 /nfs/dbraw/zinc/65/96/76/644659676.db2.gz MXCDFYWCEONYFS-SCVCMEIPSA-N 0 3 264.344 2.373 20 10 CECDHN CC[S@](=O)CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756577954 644671216 /nfs/dbraw/zinc/67/12/16/644671216.db2.gz SYZQGSPMKMDOLZ-UYKLKCEZSA-N 0 3 285.384 2.438 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000756582982 644671282 /nfs/dbraw/zinc/67/12/82/644671282.db2.gz MMTCXSJRCZIZRC-DGCLKSJQSA-N 0 3 283.343 2.378 20 10 CECDHN COC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756595692 644673321 /nfs/dbraw/zinc/67/33/21/644673321.db2.gz YCRGDGJLMNGJND-JFGNBEQYSA-N 0 3 283.343 2.067 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000756733917 644687354 /nfs/dbraw/zinc/68/73/54/644687354.db2.gz RSQNCZFZQCQEGT-CHWSQXEVSA-N 0 3 267.369 2.403 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756768101 644690592 /nfs/dbraw/zinc/69/05/92/644690592.db2.gz JKRBQEIVVNALIN-WCABBAIRSA-N 0 3 251.301 2.458 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC2(C)OCCO2)c2c1c(F)ccc2[O-] ZINC000756779900 644691596 /nfs/dbraw/zinc/69/15/96/644691596.db2.gz NSDHUPOEWPAKGD-MWLCHTKSSA-N 0 3 281.327 2.432 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2[O-] ZINC000756782953 644692353 /nfs/dbraw/zinc/69/23/53/644692353.db2.gz XAJUINANMLSZLO-PSASIEDQSA-N 0 3 280.343 2.181 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([O-])c1 ZINC000857060666 644805581 /nfs/dbraw/zinc/80/55/81/644805581.db2.gz DIFABNXPOYCYPV-JSGCOSHPSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c([O-])c1 ZINC000857060666 644805584 /nfs/dbraw/zinc/80/55/84/644805584.db2.gz DIFABNXPOYCYPV-JSGCOSHPSA-N 0 3 279.380 2.241 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1COCCN1C)c1ccc(C)cc1[O-] ZINC000858522395 645190899 /nfs/dbraw/zinc/19/08/99/645190899.db2.gz DQXVGGSSUCRXDC-HIFRSBDPSA-N 0 3 278.396 2.072 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)c2ccco2)c1[O-] ZINC000761199022 645256091 /nfs/dbraw/zinc/25/60/91/645256091.db2.gz XEOQFVADVYZQTA-LLVKDONJSA-N 0 3 297.738 2.470 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000762504702 645421792 /nfs/dbraw/zinc/42/17/92/645421792.db2.gz VTPZCADTXBKAAW-SMDDNHRTSA-N 0 3 265.353 2.306 20 10 CECDHN CN(CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768137646 646089081 /nfs/dbraw/zinc/08/90/81/646089081.db2.gz RAOKPVXQOHLBFV-UHFFFAOYSA-N 0 3 293.367 2.009 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438031 646122374 /nfs/dbraw/zinc/12/23/74/646122374.db2.gz OQQYSNPMFGOMRN-HZMBPMFUSA-N 0 3 263.337 2.050 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768438031 646122376 /nfs/dbraw/zinc/12/23/76/646122376.db2.gz OQQYSNPMFGOMRN-HZMBPMFUSA-N 0 3 263.337 2.050 20 10 CECDHN CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464005 646126756 /nfs/dbraw/zinc/12/67/56/646126756.db2.gz YTWMQEVAEFLGPZ-FZMZJTMJSA-N 0 3 295.404 2.145 20 10 CECDHN CSC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768464005 646126758 /nfs/dbraw/zinc/12/67/58/646126758.db2.gz YTWMQEVAEFLGPZ-FZMZJTMJSA-N 0 3 295.404 2.145 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](OC)C1 ZINC000768755170 646158998 /nfs/dbraw/zinc/15/89/98/646158998.db2.gz VXQBCIQCPUVDPV-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](OC)C1 ZINC000768755170 646158996 /nfs/dbraw/zinc/15/89/96/646158996.db2.gz VXQBCIQCPUVDPV-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c([O-])c1 ZINC000769311607 646242758 /nfs/dbraw/zinc/24/27/58/646242758.db2.gz NHIVEFIUHDLYKP-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000769937160 646336553 /nfs/dbraw/zinc/33/65/53/646336553.db2.gz NJBJYWJGKHXANV-DXTPNHAXSA-N 0 3 265.353 2.208 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)OC ZINC000770316166 646378208 /nfs/dbraw/zinc/37/82/08/646378208.db2.gz CHCIYQDUTLYFJA-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)OC ZINC000770316166 646378213 /nfs/dbraw/zinc/37/82/13/646378213.db2.gz CHCIYQDUTLYFJA-UHFFFAOYSA-N 0 3 253.342 2.258 20 10 CECDHN CCN(C)c1ccc(CN2CCN(CC)CC2)cc1 ZINC000773733567 646771195 /nfs/dbraw/zinc/77/11/95/646771195.db2.gz JRBDDKCEHVWVCF-UHFFFAOYSA-N 0 3 261.413 2.280 20 10 CECDHN CC[C@]1(O)CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779220127 647298552 /nfs/dbraw/zinc/29/85/52/647298552.db2.gz XXSLLZFRLFADFY-HNNXBMFYSA-N 0 3 266.360 2.239 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(N(C)C)CCC2)c([O-])c1 ZINC000782536149 647635533 /nfs/dbraw/zinc/63/55/33/647635533.db2.gz PDNFDAAMEXGAKM-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000783507885 647722862 /nfs/dbraw/zinc/72/28/62/647722862.db2.gz CAIDFDZUUADXNL-OLZOCXBDSA-N 0 3 265.353 2.096 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H]2COCC[C@H]2O)c1[O-] ZINC000866497671 647806842 /nfs/dbraw/zinc/80/68/42/647806842.db2.gz OUBJQBIGWXNHIS-ZWKOPEQDSA-N 0 3 285.771 2.154 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873155921 649573602 /nfs/dbraw/zinc/57/36/02/649573602.db2.gz IJHIKVCNXZYUGX-TYNCELHUSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@@H](CO)N[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000127544228 651251889 /nfs/dbraw/zinc/25/18/89/651251889.db2.gz LOSSNBHOFXNTEN-RYUDHWBXSA-N 0 3 298.814 2.208 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[O-] ZINC000879650911 651335752 /nfs/dbraw/zinc/33/57/52/651335752.db2.gz WLEWJUVRPTZGFJ-QWRGUYRKSA-N 0 3 261.321 2.139 20 10 CECDHN CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651757 651336151 /nfs/dbraw/zinc/33/61/51/651336151.db2.gz JURGEQLKMRCNIW-GRYCIOLGSA-N 0 3 264.369 2.346 20 10 CECDHN CC[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C)cc1[O-] ZINC000883375279 652448446 /nfs/dbraw/zinc/44/84/46/652448446.db2.gz IFMDLCBCUIDFSW-OBJOEFQTSA-N 0 3 297.420 2.317 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)C(=O)OC ZINC001208721799 802403920 /nfs/dbraw/zinc/40/39/20/802403920.db2.gz ASPZBBFVZBQPMM-LLVKDONJSA-N 0 3 251.326 2.023 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](C)C(=O)OC ZINC001208721799 802403925 /nfs/dbraw/zinc/40/39/25/802403925.db2.gz ASPZBBFVZBQPMM-LLVKDONJSA-N 0 3 251.326 2.023 20 10 CECDHN CC(=O)[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059183 802551627 /nfs/dbraw/zinc/55/16/27/802551627.db2.gz XNNQLRPFPDLCMN-NSHDSACASA-N 0 3 251.301 2.332 20 10 CECDHN CC(=O)[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059183 802551629 /nfs/dbraw/zinc/55/16/29/802551629.db2.gz XNNQLRPFPDLCMN-NSHDSACASA-N 0 3 251.301 2.332 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c([O-])c1 ZINC000723880177 802960860 /nfs/dbraw/zinc/96/08/60/802960860.db2.gz YWVWMSDLVKSDNN-LBPRGKRZSA-N 0 3 299.436 2.422 20 10 CECDHN Cc1ccc(O)c(CN2CCN3CC(F)(F)C[C@H]3C2)c1 ZINC001140622616 803245942 /nfs/dbraw/zinc/24/59/42/803245942.db2.gz CEFNOINTKIPCCT-ZDUSSCGKSA-N 0 3 282.334 2.226 20 10 CECDHN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000693857572 803366547 /nfs/dbraw/zinc/36/65/47/803366547.db2.gz VAJGGZVPDLPCLX-CYBMUJFWSA-N 0 3 266.360 2.494 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC000724814323 803489834 /nfs/dbraw/zinc/48/98/34/803489834.db2.gz NAKPKNHEBWDAEK-WFASDCNBSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC000724814323 803489838 /nfs/dbraw/zinc/48/98/38/803489838.db2.gz NAKPKNHEBWDAEK-WFASDCNBSA-N 0 3 263.337 2.012 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000704430764 809733897 /nfs/dbraw/zinc/73/38/97/809733897.db2.gz XGCXJQKJFJSBMO-OAHLLOKOSA-N 0 3 277.412 2.132 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000606445382 810246710 /nfs/dbraw/zinc/24/67/10/810246710.db2.gz COIWCSHGOACOKG-QWHCGFSZSA-N 0 3 297.420 2.146 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnc(C)n2C)c1 ZINC000689239889 812144633 /nfs/dbraw/zinc/14/46/33/812144633.db2.gz PBCWMBIJNVTWSO-SNVBAGLBSA-N 0 3 275.352 2.294 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCN(C3CC3)C1)CC2 ZINC000389088051 813246724 /nfs/dbraw/zinc/24/67/24/813246724.db2.gz FYPYJFSWNCJGBK-OCCSQVGLSA-N 0 3 258.365 2.206 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000689583940 813970118 /nfs/dbraw/zinc/97/01/18/813970118.db2.gz KQVKNXAIQAIXOC-LLVKDONJSA-N 0 3 266.341 2.049 20 10 CECDHN CCOCC[NH+](CCOCC)Cc1cc(F)ccc1[O-] ZINC000233731602 814333401 /nfs/dbraw/zinc/33/34/01/814333401.db2.gz WECLFLCSBXDBDQ-UHFFFAOYSA-N 0 3 285.359 2.406 20 10 CECDHN Cc1n[nH]c(=O)c(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])c1C ZINC001116568901 814865898 /nfs/dbraw/zinc/86/58/98/814865898.db2.gz VZIUCXZKDKZOQJ-JTQLQIEISA-N 0 3 291.326 2.495 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1F)C1CCN(C)CC1 ZINC001137837745 815692560 /nfs/dbraw/zinc/69/25/60/815692560.db2.gz SSYRFDHJUUDMEP-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1F)C1CCN(C)CC1 ZINC001137837745 815692564 /nfs/dbraw/zinc/69/25/64/815692564.db2.gz SSYRFDHJUUDMEP-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN O=c1[nH]ccc2c1CCN(Cc1cc(F)ccc1O)C2 ZINC001140058823 816180495 /nfs/dbraw/zinc/18/04/95/816180495.db2.gz NCZSNFSREIPKST-UHFFFAOYSA-N 0 3 274.295 2.190 20 10 CECDHN O=c1[nH]ccc2c1CC[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058823 816180499 /nfs/dbraw/zinc/18/04/99/816180499.db2.gz NCZSNFSREIPKST-UHFFFAOYSA-N 0 3 274.295 2.190 20 10 CECDHN O=c1[nH]ccc2c1CC[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC001140058823 816180503 /nfs/dbraw/zinc/18/05/03/816180503.db2.gz NCZSNFSREIPKST-UHFFFAOYSA-N 0 3 274.295 2.190 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001140059156 816180869 /nfs/dbraw/zinc/18/08/69/816180869.db2.gz WFKYVUQCYORJOS-PHIMTYICSA-N 0 3 287.281 2.245 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001140059156 816180871 /nfs/dbraw/zinc/18/08/71/816180871.db2.gz WFKYVUQCYORJOS-PHIMTYICSA-N 0 3 287.281 2.245 20 10 CECDHN C[C@@H]([NH2+]CCc1ccc(C(N)=O)cc1)c1ccccc1[O-] ZINC001175418098 816195480 /nfs/dbraw/zinc/19/54/80/816195480.db2.gz DQETVSKTUYFTAD-GFCCVEGCSA-N 0 3 284.359 2.384 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948023 816422137 /nfs/dbraw/zinc/42/21/37/816422137.db2.gz PYVZZEXHQIKYJQ-TZMCWYRMSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140948023 816422140 /nfs/dbraw/zinc/42/21/40/816422140.db2.gz PYVZZEXHQIKYJQ-TZMCWYRMSA-N 0 3 277.364 2.474 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(OC)c1 ZINC001141029337 816450398 /nfs/dbraw/zinc/45/03/98/816450398.db2.gz QDYBVCHWYVVTIA-KWBADKCTSA-N 0 3 281.327 2.342 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c(OC)c1 ZINC001141029337 816450399 /nfs/dbraw/zinc/45/03/99/816450399.db2.gz QDYBVCHWYVVTIA-KWBADKCTSA-N 0 3 281.327 2.342 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](C)C2)c(OC)c1 ZINC001141031360 816450635 /nfs/dbraw/zinc/45/06/35/816450635.db2.gz DKIDWPVTVDAVEH-JTQLQIEISA-N 0 3 251.326 2.251 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](C)C2)c(OC)c1 ZINC001141031360 816450640 /nfs/dbraw/zinc/45/06/40/816450640.db2.gz DKIDWPVTVDAVEH-JTQLQIEISA-N 0 3 251.326 2.251 20 10 CECDHN Cc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1[O-] ZINC000124680685 365656459 /nfs/dbraw/zinc/65/64/59/365656459.db2.gz FVIKPVXPJPRFMZ-UHFFFAOYSA-N 0 3 260.381 2.417 20 10 CECDHN CCOc1cccc(C[NH+]2CCC([C@H](C)O)CC2)c1[O-] ZINC000092969899 344208551 /nfs/dbraw/zinc/20/85/51/344208551.db2.gz KYVOUBKGEUSDQC-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCC[C@H](OC)C2)c1 ZINC000091772787 364072403 /nfs/dbraw/zinc/07/24/03/364072403.db2.gz GVFINSWOBLCLGE-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCC[C@H](OC)C2)c1 ZINC000091772787 364072408 /nfs/dbraw/zinc/07/24/08/364072408.db2.gz GVFINSWOBLCLGE-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(O)c(CN2CCC[C@H](OC)C2)c1 ZINC000091772787 364072411 /nfs/dbraw/zinc/07/24/11/364072411.db2.gz GVFINSWOBLCLGE-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(CNCc2cnccc2C)c1O ZINC000162629453 367175138 /nfs/dbraw/zinc/17/51/38/367175138.db2.gz GVQMNEYAWQIMON-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC[NH+](CC)[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000179915618 368358751 /nfs/dbraw/zinc/35/87/51/368358751.db2.gz JHTPNUKDYIMTEX-AWEZNQCLSA-N 0 3 266.360 2.447 20 10 CECDHN CCCCCN(CC(N)=O)Cc1cccc(C)c1O ZINC000180803753 368396956 /nfs/dbraw/zinc/39/69/56/368396956.db2.gz XSGADWKYLDZJPM-UHFFFAOYSA-N 0 3 264.369 2.178 20 10 CECDHN CCOC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180241532 368375045 /nfs/dbraw/zinc/37/50/45/368375045.db2.gz LOFHKFZWAMGOGL-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN CCOC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180241532 368375048 /nfs/dbraw/zinc/37/50/48/368375048.db2.gz LOFHKFZWAMGOGL-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000188118404 369300608 /nfs/dbraw/zinc/30/06/08/369300608.db2.gz MAGWYKDXVCDNSP-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000188118404 369300614 /nfs/dbraw/zinc/30/06/14/369300614.db2.gz MAGWYKDXVCDNSP-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@H](OCCOC)C2)c1 ZINC000188814517 369412091 /nfs/dbraw/zinc/41/20/91/369412091.db2.gz XDCXFGWPJWZYRH-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](OCCOC)C2)c1 ZINC000188814517 369412099 /nfs/dbraw/zinc/41/20/99/369412099.db2.gz XDCXFGWPJWZYRH-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](OCCOC)C2)c1 ZINC000188814517 369412106 /nfs/dbraw/zinc/41/21/06/369412106.db2.gz XDCXFGWPJWZYRH-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000189341582 369501989 /nfs/dbraw/zinc/50/19/89/369501989.db2.gz GYKLGVOEWGYJOK-KBPBESRZSA-N 0 3 265.353 2.040 20 10 CECDHN CN(C)c1ccc(CN2CCC(Cn3cncn3)CC2)cc1 ZINC000189975755 369585173 /nfs/dbraw/zinc/58/51/73/369585173.db2.gz MUEHRPLDBJQHPK-UHFFFAOYSA-N 0 3 299.422 2.256 20 10 CECDHN CCOCCOCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000191568529 369722708 /nfs/dbraw/zinc/72/27/08/369722708.db2.gz MRIXSZSEPLUODT-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN CCOCCOCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000191568529 369722710 /nfs/dbraw/zinc/72/27/10/369722710.db2.gz MRIXSZSEPLUODT-UHFFFAOYSA-N 0 3 267.369 2.186 20 10 CECDHN COC(=O)[C@H]1[C@H]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000191672347 369732420 /nfs/dbraw/zinc/73/24/20/369732420.db2.gz PIEHNMUCQYYQEJ-AEGPPILISA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)[C@H]1[C@H]2CCC[C@H]2CN1Cc1cc(C)ccc1O ZINC000191673713 369732517 /nfs/dbraw/zinc/73/25/17/369732517.db2.gz WCHMKTPZKPUJMS-DUVNUKRYSA-N 0 3 289.375 2.474 20 10 CECDHN CCC(CC)[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609932 370349177 /nfs/dbraw/zinc/34/91/77/370349177.db2.gz UYYNHWZHBBGVMY-CQSZACIVSA-N 0 3 255.333 2.418 20 10 CECDHN Cc1noc(CCC[N@@H+](C)Cc2ccccc2[O-])n1 ZINC000268686355 372180355 /nfs/dbraw/zinc/18/03/55/372180355.db2.gz PWIATXOOIHEVQL-UHFFFAOYSA-N 0 3 261.325 2.148 20 10 CECDHN Cc1noc(CCC[N@H+](C)Cc2ccccc2[O-])n1 ZINC000268686355 372180360 /nfs/dbraw/zinc/18/03/60/372180360.db2.gz PWIATXOOIHEVQL-UHFFFAOYSA-N 0 3 261.325 2.148 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](CCCOC)CCOC)c1 ZINC000271113386 373127987 /nfs/dbraw/zinc/12/79/87/373127987.db2.gz FYKINUCORIICEK-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](CCCOC)CCOC)c1 ZINC000271113386 373127994 /nfs/dbraw/zinc/12/79/94/373127994.db2.gz FYKINUCORIICEK-UHFFFAOYSA-N 0 3 297.395 2.276 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000271121089 373129713 /nfs/dbraw/zinc/12/97/13/373129713.db2.gz YDNUUYQYDNMGEK-PHIMTYICSA-N 0 3 265.353 2.497 20 10 CECDHN COc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1OC ZINC000271121089 373129718 /nfs/dbraw/zinc/12/97/18/373129718.db2.gz YDNUUYQYDNMGEK-PHIMTYICSA-N 0 3 265.353 2.497 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N2CCCC[C@H]12)c1ccccc1[O-] ZINC000367203194 373141613 /nfs/dbraw/zinc/14/16/13/373141613.db2.gz CHZYEBDIWKFSHM-IACUBPJLSA-N 0 3 274.364 2.196 20 10 CECDHN CC[C@@H](NCc1cc(OC)ccc1O)[C@H](O)C(F)(F)F ZINC000271876158 373202904 /nfs/dbraw/zinc/20/29/04/373202904.db2.gz ZLKYJIRESIGLRT-PWSUYJOCSA-N 0 3 293.285 2.192 20 10 CECDHN CCO[C@@H]1C[C@@H](NCc2ccc(N(C)C)c(F)c2)[C@@H]1OC ZINC000272683487 373614628 /nfs/dbraw/zinc/61/46/28/373614628.db2.gz TWIOIYQQONZKDW-BMFZPTHFSA-N 0 3 296.386 2.174 20 10 CECDHN CC(C)n1nc2c(cc1=O)C[N@@H+](Cc1ccccc1[O-])CC2 ZINC000374905914 374636416 /nfs/dbraw/zinc/63/64/16/374636416.db2.gz AUFZRTYIPRPJSZ-UHFFFAOYSA-N 0 3 299.374 2.088 20 10 CECDHN CC(C)n1nc2c(cc1=O)C[N@H+](Cc1ccccc1[O-])CC2 ZINC000374905914 374636419 /nfs/dbraw/zinc/63/64/19/374636419.db2.gz AUFZRTYIPRPJSZ-UHFFFAOYSA-N 0 3 299.374 2.088 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000374674043 374626794 /nfs/dbraw/zinc/62/67/94/374626794.db2.gz AHRYVVHMKYSFJA-BBRMVZONSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000374674043 374626805 /nfs/dbraw/zinc/62/68/05/374626805.db2.gz AHRYVVHMKYSFJA-BBRMVZONSA-N 0 3 275.348 2.167 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000281726205 375394040 /nfs/dbraw/zinc/39/40/40/375394040.db2.gz UVMRRJBNWIPSIL-STQMWFEESA-N 0 3 267.369 2.057 20 10 CECDHN CCCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C ZINC000282348717 375462555 /nfs/dbraw/zinc/46/25/55/375462555.db2.gz CKEOJFJJSOAJQS-CYBMUJFWSA-N 0 3 278.396 2.471 20 10 CECDHN CCCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(=O)N(C)C ZINC000282348717 375462558 /nfs/dbraw/zinc/46/25/58/375462558.db2.gz CKEOJFJJSOAJQS-CYBMUJFWSA-N 0 3 278.396 2.471 20 10 CECDHN Cc1cnn(C)c1CNCc1ccc2c(c1)CCCN2C ZINC000285594706 375841972 /nfs/dbraw/zinc/84/19/72/375841972.db2.gz XUNNQXUSGATAAZ-UHFFFAOYSA-N 0 3 284.407 2.401 20 10 CECDHN C[C@@H](NCc1cnnn1C)c1cc2c(cc1O)CCCC2 ZINC000287475618 376242229 /nfs/dbraw/zinc/24/22/29/376242229.db2.gz WQROONMEVOZBDL-LLVKDONJSA-N 0 3 286.379 2.250 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1OC ZINC000289236824 376388485 /nfs/dbraw/zinc/38/84/85/376388485.db2.gz DJZGRXNPDOVMEI-VXGBXAGGSA-N 0 3 295.379 2.172 20 10 CECDHN CCOc1cccc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000294774213 378018727 /nfs/dbraw/zinc/01/87/27/378018727.db2.gz KLTZAIXQOXMQAI-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN CCOc1cccc(C[N@@H+](C)CC(C)(C)CO)c1[O-] ZINC000294774213 378018731 /nfs/dbraw/zinc/01/87/31/378018731.db2.gz KLTZAIXQOXMQAI-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CCOCC2)c([O-])c1 ZINC000294802328 378020442 /nfs/dbraw/zinc/02/04/42/378020442.db2.gz PAYXVUBVCFKENQ-AWEZNQCLSA-N 0 3 293.407 2.449 20 10 CECDHN C[C@@H](Cn1ccnc1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296066665 378408699 /nfs/dbraw/zinc/40/86/99/378408699.db2.gz RYLJQQRKLNVUEM-WCQYABFASA-N 0 3 257.337 2.254 20 10 CECDHN CS(=O)(=O)CCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296349054 378499888 /nfs/dbraw/zinc/49/98/88/378499888.db2.gz HIHJZMNDVJWJRM-ZDUSSCGKSA-N 0 3 297.420 2.184 20 10 CECDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H](O)C(F)F ZINC000296551402 378571639 /nfs/dbraw/zinc/57/16/39/378571639.db2.gz RNSDKRSQFNXRKB-QRTLGDNMSA-N 0 3 259.296 2.447 20 10 CECDHN CC1(C)CN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CCO1 ZINC000297640429 378688507 /nfs/dbraw/zinc/68/85/07/378688507.db2.gz JSVQYTSHQIKCLB-AWEZNQCLSA-N 0 3 290.407 2.080 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000184744348 262027603 /nfs/dbraw/zinc/02/76/03/262027603.db2.gz CKMBZUWKEFSKKA-NXEZZACHSA-N 0 3 285.771 2.257 20 10 CECDHN Cc1nccn1C[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000105442918 394722031 /nfs/dbraw/zinc/72/20/31/394722031.db2.gz BVLHDPZTYGPMNQ-LBPRGKRZSA-N 0 3 259.353 2.323 20 10 CECDHN COCC1(C[NH2+]Cc2cccc(OC)c2[O-])CCC1 ZINC000281876259 394866923 /nfs/dbraw/zinc/86/69/23/394866923.db2.gz CXWDBGZRSHKMSS-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CC[C@@H](C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000133831259 394955446 /nfs/dbraw/zinc/95/54/46/394955446.db2.gz XCUWQWUKWFFGGX-GFCCVEGCSA-N 0 3 292.379 2.037 20 10 CECDHN CC[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCS1 ZINC000173504107 395114229 /nfs/dbraw/zinc/11/42/29/395114229.db2.gz IFCRBOPDGFGSKJ-LLVKDONJSA-N 0 3 281.377 2.448 20 10 CECDHN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179561402 395195456 /nfs/dbraw/zinc/19/54/56/395195456.db2.gz HTVFDSJKMPFGEU-OAHLLOKOSA-N 0 3 288.391 2.130 20 10 CECDHN O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179561402 395195459 /nfs/dbraw/zinc/19/54/59/395195459.db2.gz HTVFDSJKMPFGEU-OAHLLOKOSA-N 0 3 288.391 2.130 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183375082 395255824 /nfs/dbraw/zinc/25/58/24/395255824.db2.gz CUURHOZSWXKDSA-SNVBAGLBSA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183375082 395255828 /nfs/dbraw/zinc/25/58/28/395255828.db2.gz CUURHOZSWXKDSA-SNVBAGLBSA-N 0 3 282.771 2.051 20 10 CECDHN C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000183495772 395258041 /nfs/dbraw/zinc/25/80/41/395258041.db2.gz LTVGSFOXOXQTGJ-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccccc1[O-] ZINC000183488394 395258074 /nfs/dbraw/zinc/25/80/74/395258074.db2.gz VOKORRBRZUIMLC-ZDUSSCGKSA-N 0 3 278.396 2.154 20 10 CECDHN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183549446 395259472 /nfs/dbraw/zinc/25/94/72/395259472.db2.gz BVFLYUICUUKWGM-AGIUHOORSA-N 0 3 265.353 2.237 20 10 CECDHN CN(C)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOCC1 ZINC000297629089 395346990 /nfs/dbraw/zinc/34/69/90/395346990.db2.gz JGVOVKYOLPYOHN-CQSZACIVSA-N 0 3 290.407 2.080 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N(C)C)c1 ZINC000020125832 171008863 /nfs/dbraw/zinc/00/88/63/171008863.db2.gz RTNAXPCIVVLELT-NSHDSACASA-N 0 3 266.385 2.392 20 10 CECDHN CC[C@@H]([NH2+]CCCN1CCN(C)CC1)c1ccccc1[O-] ZINC000020128455 171015604 /nfs/dbraw/zinc/01/56/04/171015604.db2.gz QHZMBVNNSNFSCL-MRXNPFEDSA-N 0 3 291.439 2.070 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1 ZINC000020142023 171028196 /nfs/dbraw/zinc/02/81/96/171028196.db2.gz OJZYIYLJIPEKDG-CQSZACIVSA-N 0 3 278.396 2.074 20 10 CECDHN COCCOCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020192900 171059048 /nfs/dbraw/zinc/05/90/48/171059048.db2.gz YQILXXQBMSTHLI-ZDUSSCGKSA-N 0 3 267.369 2.404 20 10 CECDHN COC(=O)N1CCC([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000154099647 261087444 /nfs/dbraw/zinc/08/74/44/261087444.db2.gz PBIJJJZNTZLALX-NSHDSACASA-N 0 3 278.352 2.274 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000184744348 262027601 /nfs/dbraw/zinc/02/76/01/262027601.db2.gz CKMBZUWKEFSKKA-NXEZZACHSA-N 0 3 285.771 2.257 20 10 CECDHN C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000184889247 262032593 /nfs/dbraw/zinc/03/25/93/262032593.db2.gz VBMRPSHUHARORF-NSHDSACASA-N 0 3 280.343 2.194 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000186540076 262098044 /nfs/dbraw/zinc/09/80/44/262098044.db2.gz PTZOGMSTAVEPIP-AGKHESDQSA-N 0 3 255.383 2.118 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000186030510 262076001 /nfs/dbraw/zinc/07/60/01/262076001.db2.gz IYGPEZYADKMXMO-UWVGGRQHSA-N 0 3 289.372 2.005 20 10 CECDHN CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000186030268 262076543 /nfs/dbraw/zinc/07/65/43/262076543.db2.gz JRNQKXLOSYITFV-RYUDHWBXSA-N 0 3 285.409 2.174 20 10 CECDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCN(C(C)C)C2=O)c1 ZINC000186047826 262077082 /nfs/dbraw/zinc/07/70/82/262077082.db2.gz UQZWSFFMYJVVNK-JSGCOSHPSA-N 0 3 276.380 2.361 20 10 CECDHN COCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CCOCC1 ZINC000293865630 263151284 /nfs/dbraw/zinc/15/12/84/263151284.db2.gz YAHDDDKGEARCGU-ZDUSSCGKSA-N 0 3 279.380 2.486 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367699286 267110361 /nfs/dbraw/zinc/11/03/61/267110361.db2.gz HMFADFIMMOOZPG-YPMHNXCESA-N 0 3 262.353 2.041 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367699286 267110364 /nfs/dbraw/zinc/11/03/64/267110364.db2.gz HMFADFIMMOOZPG-YPMHNXCESA-N 0 3 262.353 2.041 20 10 CECDHN O=C1NC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000368214844 267152759 /nfs/dbraw/zinc/15/27/59/267152759.db2.gz HIXONSZFGZNYKW-ZFWWWQNUSA-N 0 3 296.370 2.113 20 10 CECDHN O=C1NC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)CC[C@H]12 ZINC000368214844 267152760 /nfs/dbraw/zinc/15/27/60/267152760.db2.gz HIXONSZFGZNYKW-ZFWWWQNUSA-N 0 3 296.370 2.113 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296401110 275455971 /nfs/dbraw/zinc/45/59/71/275455971.db2.gz KIDZLIZYCMALMO-HIFRSBDPSA-N 0 3 288.391 2.228 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1[O-] ZINC000040773806 276380325 /nfs/dbraw/zinc/38/03/25/276380325.db2.gz XFXJYDLMDLZJOQ-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@]2(CO)COc3ccccc3C2)c1 ZINC000527768499 313201378 /nfs/dbraw/zinc/20/13/78/313201378.db2.gz BLQZWBKAWUEROI-SFHVURJKSA-N 0 3 299.370 2.156 20 10 CECDHN COC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000272284653 328199572 /nfs/dbraw/zinc/19/95/72/328199572.db2.gz NGFHUBJJYWEVGL-UHFFFAOYSA-N 0 3 269.316 2.305 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000272284653 328199573 /nfs/dbraw/zinc/19/95/73/328199573.db2.gz NGFHUBJJYWEVGL-UHFFFAOYSA-N 0 3 269.316 2.305 20 10 CECDHN C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000090181694 327177576 /nfs/dbraw/zinc/17/75/76/327177576.db2.gz COCMTYZNVRRTET-GXTWGEPZSA-N 0 3 287.407 2.167 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](CC)CCC(=O)OC)c1 ZINC000092380230 327193500 /nfs/dbraw/zinc/19/35/00/327193500.db2.gz JZMNRBFHCMOIFC-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](CC)CCC(=O)OC)c1 ZINC000092380230 327193502 /nfs/dbraw/zinc/19/35/02/327193502.db2.gz JZMNRBFHCMOIFC-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000375078777 329000066 /nfs/dbraw/zinc/00/00/66/329000066.db2.gz KSRFGZDDWOLUFT-UHFFFAOYSA-N 0 3 277.364 2.164 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000375078777 329000068 /nfs/dbraw/zinc/00/00/68/329000068.db2.gz KSRFGZDDWOLUFT-UHFFFAOYSA-N 0 3 277.364 2.164 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1cc(F)ccc1[O-] ZINC000377798499 329030109 /nfs/dbraw/zinc/03/01/09/329030109.db2.gz IZXNWXZAUMYTES-GXSJLCMTSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cc(F)ccc1[O-] ZINC000377798499 329030110 /nfs/dbraw/zinc/03/01/10/329030110.db2.gz IZXNWXZAUMYTES-GXSJLCMTSA-N 0 3 275.327 2.463 20 10 CECDHN C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccccc1[O-] ZINC000211568783 333091451 /nfs/dbraw/zinc/09/14/51/333091451.db2.gz CBSUAOHFZPUPPT-DZGCQCFKSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccccc1[O-] ZINC000211568783 333091452 /nfs/dbraw/zinc/09/14/52/333091452.db2.gz CBSUAOHFZPUPPT-DZGCQCFKSA-N 0 3 260.381 2.451 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)CC(C)(C)C)c1 ZINC000224823492 333226352 /nfs/dbraw/zinc/22/63/52/333226352.db2.gz YKXSGTSCEZJMOY-GFCCVEGCSA-N 0 3 267.369 2.288 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000274979045 334785861 /nfs/dbraw/zinc/78/58/61/334785861.db2.gz XGZBVSGETDFEAP-UHFFFAOYSA-N 0 3 273.760 2.305 20 10 CECDHN CC(=O)NCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000273435737 519659797 /nfs/dbraw/zinc/65/97/97/519659797.db2.gz WYHMMRWEEUZLEO-LBPRGKRZSA-N 0 3 264.369 2.186 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000279934298 519553128 /nfs/dbraw/zinc/55/31/28/519553128.db2.gz YJDANEUXBLSQDM-OAHLLOKOSA-N 0 3 290.407 2.357 20 10 CECDHN CCCOc1ccc(C[NH2+]CCC[C@@H](C)O)c([O-])c1 ZINC000278685458 520367230 /nfs/dbraw/zinc/36/72/30/520367230.db2.gz PLLWESNHQBZVGM-GFCCVEGCSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CCCO)c1[O-] ZINC000094941580 521374149 /nfs/dbraw/zinc/37/41/49/521374149.db2.gz IDKWQDVCTNWIKN-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN COc1cc(CNCc2cccc(OC)c2O)ccn1 ZINC000060942033 522466734 /nfs/dbraw/zinc/46/67/34/522466734.db2.gz BYPKTIQHBKIATR-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000094948705 522510615 /nfs/dbraw/zinc/51/06/15/522510615.db2.gz MPQOIBJNDFCXKU-NEPJUHHUSA-N 0 3 267.369 2.460 20 10 CECDHN CC[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[O-] ZINC000128143178 522602594 /nfs/dbraw/zinc/60/25/94/522602594.db2.gz KJSXDSZYMCUBFO-AWEZNQCLSA-N 0 3 259.353 2.409 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C)cc1[O-] ZINC000279990254 522713481 /nfs/dbraw/zinc/71/34/81/522713481.db2.gz FGUZHFRIMZETNF-UONOGXRCSA-N 0 3 276.380 2.410 20 10 CECDHN CC[C@H](O)CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293275454 522822964 /nfs/dbraw/zinc/82/29/64/522822964.db2.gz CNPXLJGHJUHRLR-JSGCOSHPSA-N 0 3 296.386 2.084 20 10 CECDHN CC[C@@H]1CCN1Cc1cc(OC)c(OC)cc1O ZINC000292155199 523340199 /nfs/dbraw/zinc/34/01/99/523340199.db2.gz VPKIDGULKCVNJS-LLVKDONJSA-N 0 3 251.326 2.394 20 10 CECDHN CN(C)C(=O)CCNCc1ccc(N2CCCCC2)cc1 ZINC000037751722 523983072 /nfs/dbraw/zinc/98/30/72/523983072.db2.gz AJKFWXFPTLQZEY-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@](C)=O)CCC2)c1 ZINC000281071297 524762471 /nfs/dbraw/zinc/76/24/71/524762471.db2.gz OGOCLBCPEJUQGK-GIPWTMENSA-N 0 3 297.420 2.353 20 10 CECDHN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617556 524779476 /nfs/dbraw/zinc/77/94/76/524779476.db2.gz OTZZSGFVYDPKCF-GHMZBOCLSA-N 0 3 263.316 2.467 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977563 525362258 /nfs/dbraw/zinc/36/22/58/525362258.db2.gz HJHIIHJGSTVFPU-YPMHNXCESA-N 0 3 262.353 2.020 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCCNC2=O)c1 ZINC000036977565 525364832 /nfs/dbraw/zinc/36/48/32/525364832.db2.gz HJHIIHJGSTVFPU-AAEUAGOBSA-N 0 3 262.353 2.020 20 10 CECDHN Cc1nnc(CCNCc2ccc(N(C)C)cc2)s1 ZINC000289717246 526329946 /nfs/dbraw/zinc/32/99/46/526329946.db2.gz FITJQDCXOHLQOF-UHFFFAOYSA-N 0 3 276.409 2.245 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCSCCCO)CC2 ZINC000297719271 527543058 /nfs/dbraw/zinc/54/30/58/527543058.db2.gz NCOJFRLBEXSRTC-LBPRGKRZSA-N 0 3 267.394 2.085 20 10 CECDHN COCCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727642343 574454101 /nfs/dbraw/zinc/45/41/01/574454101.db2.gz JBZXNZPZYYUEPF-UHFFFAOYSA-N 0 3 293.367 2.321 20 10 CECDHN C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870014 574604345 /nfs/dbraw/zinc/60/43/45/574604345.db2.gz HVWYFBYIDGDIAR-GHMZBOCLSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870014 574604346 /nfs/dbraw/zinc/60/43/46/574604346.db2.gz HVWYFBYIDGDIAR-GHMZBOCLSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000731869554 574604383 /nfs/dbraw/zinc/60/43/83/574604383.db2.gz LMTLJUPCRFSHMZ-GHMZBOCLSA-N 0 3 282.409 2.304 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCC[C@@H](C)C1 ZINC000731869554 574604384 /nfs/dbraw/zinc/60/43/84/574604384.db2.gz LMTLJUPCRFSHMZ-GHMZBOCLSA-N 0 3 282.409 2.304 20 10 CECDHN CO[C@H](CNCc1ccc(N(C)C)cc1)C(F)(F)F ZINC000733328861 574664311 /nfs/dbraw/zinc/66/43/11/574664311.db2.gz FVOSEVUCIRKQES-GFCCVEGCSA-N 0 3 276.302 2.420 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)c1[O-] ZINC000746755675 575163695 /nfs/dbraw/zinc/16/36/95/575163695.db2.gz REMPLMHPTKGMGU-CHWSQXEVSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@@H]1C[C@@H]1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891257426 623331088 /nfs/dbraw/zinc/33/10/88/623331088.db2.gz HBCSCXWJNPQPPY-UHOFOFEASA-N 0 3 289.423 2.128 20 10 CECDHN COc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1OC ZINC000892217597 624427347 /nfs/dbraw/zinc/42/73/47/624427347.db2.gz ZEHPWSPRJDTERJ-AAEUAGOBSA-N 0 3 295.379 2.002 20 10 CECDHN COc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1OC ZINC000892217597 624427349 /nfs/dbraw/zinc/42/73/49/624427349.db2.gz ZEHPWSPRJDTERJ-AAEUAGOBSA-N 0 3 295.379 2.002 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185117695 628223137 /nfs/dbraw/zinc/22/31/37/628223137.db2.gz AKEQERDXOCAVPQ-AAEUAGOBSA-N 0 3 285.359 2.215 20 10 CECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)N(C)C)c1 ZINC000106917591 628856319 /nfs/dbraw/zinc/85/63/19/628856319.db2.gz UBQCQLYNWOCAHQ-NHYWBVRUSA-N 0 3 294.395 2.164 20 10 CECDHN COCC1=CCN(Cc2ccc(OC)c(OC)c2O)CC1 ZINC000893680626 628914540 /nfs/dbraw/zinc/91/45/40/628914540.db2.gz ZNUCRFGWGHURQU-UHFFFAOYSA-N 0 3 293.363 2.188 20 10 CECDHN COc1cc(C)cc(CN[C@H](C)c2cnn(C)c2)c1O ZINC000894295466 629314725 /nfs/dbraw/zinc/31/47/25/629314725.db2.gz ZNEDTJPYPOYNOC-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H]1CCCOC1 ZINC000895857386 630379124 /nfs/dbraw/zinc/37/91/24/630379124.db2.gz BLYPNKYOGBYRLK-HUUCEWRRSA-N 0 3 279.380 2.232 20 10 CECDHN Cc1nc([C@H]2CC[N@H+](Cc3c(C)cccc3[O-])C2)no1 ZINC000896233920 630505160 /nfs/dbraw/zinc/50/51/60/630505160.db2.gz ZNILDKYRSXCCCH-LBPRGKRZSA-N 0 3 273.336 2.382 20 10 CECDHN Cc1nc([C@H]2CC[N@@H+](Cc3c(C)cccc3[O-])C2)no1 ZINC000896233920 630505164 /nfs/dbraw/zinc/50/51/64/630505164.db2.gz ZNILDKYRSXCCCH-LBPRGKRZSA-N 0 3 273.336 2.382 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCCN3CCSC[C@H]23)c([O-])c1 ZINC000896427954 630562817 /nfs/dbraw/zinc/56/28/17/630562817.db2.gz IVBMTUWAHOXXFU-LSDHHAIUSA-N 0 3 292.448 2.370 20 10 CECDHN C[C@]1(C2CC[NH+](Cc3ccccc3[O-])CC2)COC(=O)N1 ZINC000896457625 630571237 /nfs/dbraw/zinc/57/12/37/630571237.db2.gz DACQEQQQUOPORJ-MRXNPFEDSA-N 0 3 290.363 2.103 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897261089 631025579 /nfs/dbraw/zinc/02/55/79/631025579.db2.gz WFHHDZXMNFVENU-AWEZNQCLSA-N 0 3 295.354 2.037 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000808687088 632000963 /nfs/dbraw/zinc/00/09/63/632000963.db2.gz JTGNQRMZQVECHG-SNVBAGLBSA-N 0 3 284.787 2.483 20 10 CECDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717599 632005026 /nfs/dbraw/zinc/00/50/26/632005026.db2.gz FVRMRDNFTKJKKK-JQWIXIFHSA-N 0 3 287.787 2.402 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170474 632079070 /nfs/dbraw/zinc/07/90/70/632079070.db2.gz HCFHGMMRENPRQK-UHFFFAOYSA-N 0 3 275.323 2.356 20 10 CECDHN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840179327 632094236 /nfs/dbraw/zinc/09/42/36/632094236.db2.gz ALEDMKATFAEJNE-YGRLFVJLSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000840179327 632094240 /nfs/dbraw/zinc/09/42/40/632094240.db2.gz ALEDMKATFAEJNE-YGRLFVJLSA-N 0 3 277.364 2.438 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCCNC2)c1 ZINC000841041625 632258900 /nfs/dbraw/zinc/25/89/00/632258900.db2.gz BPBNJHVFCRFSOV-NSHDSACASA-N 0 3 299.212 2.305 20 10 CECDHN Cc1cc(Br)c([O-])c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000841041625 632258928 /nfs/dbraw/zinc/25/89/28/632258928.db2.gz BPBNJHVFCRFSOV-NSHDSACASA-N 0 3 299.212 2.305 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000812778428 632576126 /nfs/dbraw/zinc/57/61/26/632576126.db2.gz GERMNSXMOSZWPH-GFCCVEGCSA-N 0 3 285.771 2.399 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000812778428 632576130 /nfs/dbraw/zinc/57/61/30/632576130.db2.gz GERMNSXMOSZWPH-GFCCVEGCSA-N 0 3 285.771 2.399 20 10 CECDHN C[NH+](C)[C@@H]1C[C@H](NC(=O)c2cc([O-])cs2)C12CCC2 ZINC000898841623 632617864 /nfs/dbraw/zinc/61/78/64/632617864.db2.gz XUPXRUJIHZCYDT-NWDGAFQWSA-N 0 3 280.393 2.056 20 10 CECDHN CC(=O)N[C@@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815018654 632950552 /nfs/dbraw/zinc/95/05/52/632950552.db2.gz WZWOCJKWNAPREH-MRXNPFEDSA-N 0 3 289.423 2.162 20 10 CECDHN COCCN(Cc1ccc(N(C)C)c(C)c1)[C@@H]1CCOC1 ZINC000815104333 632960463 /nfs/dbraw/zinc/96/04/63/632960463.db2.gz IDUVJEHEXDAZPJ-MRXNPFEDSA-N 0 3 292.423 2.298 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817413144 633651539 /nfs/dbraw/zinc/65/15/39/633651539.db2.gz USJZTTXQUZTGMT-OLZOCXBDSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817413144 633651542 /nfs/dbraw/zinc/65/15/42/633651542.db2.gz USJZTTXQUZTGMT-OLZOCXBDSA-N 0 3 279.380 2.241 20 10 CECDHN C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817942491 633790567 /nfs/dbraw/zinc/79/05/67/633790567.db2.gz ZZWDYNHNNAVDCA-SCZZXKLOSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817942491 633790570 /nfs/dbraw/zinc/79/05/70/633790570.db2.gz ZZWDYNHNNAVDCA-SCZZXKLOSA-N 0 3 256.296 2.073 20 10 CECDHN CC[C@H]([NH2+]CCNCCOC)c1cc(Cl)ccc1[O-] ZINC000817965502 633806741 /nfs/dbraw/zinc/80/67/41/633806741.db2.gz VUUURQOGQICLMV-ZDUSSCGKSA-N 0 3 286.803 2.322 20 10 CECDHN C[C@H]1C[C@H]([NH2+][C@@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000818358540 633916164 /nfs/dbraw/zinc/91/61/64/633916164.db2.gz JKRBQEIVVNALIN-NGZCFLSTSA-N 0 3 251.301 2.458 20 10 CECDHN COc1cccc([C@@H](C)NCc2cnn(CCF)c2)c1O ZINC000903273651 635040796 /nfs/dbraw/zinc/04/07/96/635040796.db2.gz BZSDMYYBKYPUSN-LLVKDONJSA-N 0 3 293.342 2.418 20 10 CECDHN CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000824815476 635505118 /nfs/dbraw/zinc/50/51/18/635505118.db2.gz QJLCUNZDLJELPH-IINYFYTJSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000824815476 635505125 /nfs/dbraw/zinc/50/51/25/635505125.db2.gz QJLCUNZDLJELPH-IINYFYTJSA-N 0 3 253.317 2.388 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825104463 635570089 /nfs/dbraw/zinc/57/00/89/635570089.db2.gz XNMRXRXOQXEKAD-BXKDBHETSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825104463 635570095 /nfs/dbraw/zinc/57/00/95/635570095.db2.gz XNMRXRXOQXEKAD-BXKDBHETSA-N 0 3 255.745 2.309 20 10 CECDHN CC[C@@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)NC ZINC000825315456 635613793 /nfs/dbraw/zinc/61/37/93/635613793.db2.gz AZXYAKPAAWZFCO-CQSZACIVSA-N 0 3 295.402 2.286 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151753 636237334 /nfs/dbraw/zinc/23/73/34/636237334.db2.gz IZZNVUQSEZQZRZ-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827151753 636237338 /nfs/dbraw/zinc/23/73/38/636237338.db2.gz IZZNVUQSEZQZRZ-MRXNPFEDSA-N 0 3 277.364 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000827699585 636397731 /nfs/dbraw/zinc/39/77/31/636397731.db2.gz JITRWYPCKSVLPW-WBMJQRKESA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000827699585 636397733 /nfs/dbraw/zinc/39/77/33/636397733.db2.gz JITRWYPCKSVLPW-WBMJQRKESA-N 0 3 279.380 2.241 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903561 636456163 /nfs/dbraw/zinc/45/61/63/636456163.db2.gz KANBQKWZZVELRA-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903561 636456170 /nfs/dbraw/zinc/45/61/70/636456170.db2.gz KANBQKWZZVELRA-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576308 637103859 /nfs/dbraw/zinc/10/38/59/637103859.db2.gz FNFRTROAAUSVRR-ZYHUDNBSSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cc([O-])cs2)C1 ZINC000830576308 637103864 /nfs/dbraw/zinc/10/38/64/637103864.db2.gz FNFRTROAAUSVRR-ZYHUDNBSSA-N 0 3 280.393 2.010 20 10 CECDHN CN1CC[C@@H]2[C@H](CCCN2C(=O)C2=CC(=O)CS2)C1 ZINC000830576308 637103867 /nfs/dbraw/zinc/10/38/67/637103867.db2.gz FNFRTROAAUSVRR-ZYHUDNBSSA-N 0 3 280.393 2.010 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876556629 650324927 /nfs/dbraw/zinc/32/49/27/650324927.db2.gz VGQSCSISLFDTLS-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876556629 650324931 /nfs/dbraw/zinc/32/49/31/650324931.db2.gz VGQSCSISLFDTLS-GFCCVEGCSA-N 0 3 263.337 2.086 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC2)OCCO3)c([O-])c1 ZINC000876559732 650327528 /nfs/dbraw/zinc/32/75/28/650327528.db2.gz APJJASQXJVYDBH-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN OC1CCN(c2ccc(CN3CCSCC3)cc2)CC1 ZINC000876560750 650328789 /nfs/dbraw/zinc/32/87/89/650328789.db2.gz LLXWCVQULHPGCW-UHFFFAOYSA-N 0 3 292.448 2.197 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CCO)C1CCOCC1)CC2 ZINC000834766377 637944347 /nfs/dbraw/zinc/94/43/47/637944347.db2.gz SVAOQUHTYRCTQC-HUUCEWRRSA-N 0 3 291.391 2.147 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](CO)c1cccnc1)CC2 ZINC000834803012 637955697 /nfs/dbraw/zinc/95/56/97/637955697.db2.gz IGBHMXAPDDNEBC-GJZGRUSLSA-N 0 3 284.359 2.140 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c([O-])c1 ZINC000834850583 637970323 /nfs/dbraw/zinc/97/03/23/637970323.db2.gz NCWNNQVIZSXWPL-GJZGRUSLSA-N 0 3 292.423 2.198 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1ccccc1[O-] ZINC000834895401 637980169 /nfs/dbraw/zinc/98/01/69/637980169.db2.gz BHQKRNMIWFEYIT-NWDGAFQWSA-N 0 3 259.353 2.408 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1ccc(C)cc1[O-] ZINC000834898659 637981250 /nfs/dbraw/zinc/98/12/50/637981250.db2.gz ATVNGDOAAKENNX-AAEUAGOBSA-N 0 3 264.369 2.266 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CCCOCC2)cc1 ZINC000835026445 638029374 /nfs/dbraw/zinc/02/93/74/638029374.db2.gz WOJNDLHXTLYVAP-HWKANZROSA-N 0 3 260.381 2.488 20 10 CECDHN CN(C)c1ccc(/C=C\CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000835044565 638036428 /nfs/dbraw/zinc/03/64/28/638036428.db2.gz MCTZHOGYEZIRFW-JZIMQPMSSA-N 0 3 299.418 2.119 20 10 CECDHN CCc1nc(CNCC=Cc2ccc(N(C)C)cc2)n[nH]1 ZINC000835054313 638041332 /nfs/dbraw/zinc/04/13/32/638041332.db2.gz JNYFGDLDVALJBK-AATRIKPKSA-N 0 3 285.395 2.236 20 10 CECDHN Cc1ccc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000876798825 650437712 /nfs/dbraw/zinc/43/77/12/650437712.db2.gz PSIJXIXWHNBZDC-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c([O-])c1 ZINC000876798825 650437713 /nfs/dbraw/zinc/43/77/13/650437713.db2.gz PSIJXIXWHNBZDC-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCCNc1ncccn1 ZINC000876874808 650468063 /nfs/dbraw/zinc/46/80/63/650468063.db2.gz KBDLNIZWHBPWPS-UHFFFAOYSA-N 0 3 272.352 2.082 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCOCC(F)(F)F ZINC000876910431 650482419 /nfs/dbraw/zinc/48/24/19/650482419.db2.gz ZTAYXASUWPESES-UHFFFAOYSA-N 0 3 263.259 2.369 20 10 CECDHN CCN(CC)C(=O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876933810 650492355 /nfs/dbraw/zinc/49/23/55/650492355.db2.gz ZTTIVXYTNWUPKH-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)c1cccs1 ZINC000876941976 650498196 /nfs/dbraw/zinc/49/81/96/650498196.db2.gz RYGZIVFQUQUZPM-UHFFFAOYSA-N 0 3 290.388 2.282 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NC(C)(C)C ZINC000840931226 639590074 /nfs/dbraw/zinc/59/00/74/639590074.db2.gz VFXCNRQKEHITFY-CYBMUJFWSA-N 0 3 291.439 2.454 20 10 CECDHN COc1cccc(CN2CCCc3c(cnn3C)C2)c1O ZINC000840954658 639600551 /nfs/dbraw/zinc/60/05/51/639600551.db2.gz LZGPQMGEZORBCH-UHFFFAOYSA-N 0 3 287.363 2.083 20 10 CECDHN CCN(CC)C(=O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228794837 639659346 /nfs/dbraw/zinc/65/93/46/639659346.db2.gz RGSLBUHZMBSYNR-JTQLQIEISA-N 0 3 268.332 2.050 20 10 CECDHN COCCOCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876996863 650525058 /nfs/dbraw/zinc/52/50/58/650525058.db2.gz GPPSSRGYEMNWFN-UHFFFAOYSA-N 0 3 267.369 2.233 20 10 CECDHN COC[C@@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])OC ZINC000230672251 639778716 /nfs/dbraw/zinc/77/87/16/639778716.db2.gz WHVWBJBMGHMEKN-VXGBXAGGSA-N 0 3 253.342 2.013 20 10 CECDHN CC(C)(C[NH2+]Cc1ccccc1[O-])C1(O)CCOCC1 ZINC000841890729 639900745 /nfs/dbraw/zinc/90/07/45/639900745.db2.gz QGLBYFWGPGDYFM-UHFFFAOYSA-N 0 3 279.380 2.050 20 10 CECDHN CC[C@H](CN1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842146940 639965812 /nfs/dbraw/zinc/96/58/12/639965812.db2.gz FMRUTPUTVIUORV-OAHLLOKOSA-N 0 3 278.396 2.242 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@]3(CCC[NH2+]3)C2)c1[O-] ZINC000842477031 640076744 /nfs/dbraw/zinc/07/67/44/640076744.db2.gz CAYGJQLRJNAPDH-INIZCTEOSA-N 0 3 292.354 2.062 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCS[C@H]1C ZINC000842779913 640180447 /nfs/dbraw/zinc/18/04/47/640180447.db2.gz SUPGQCLCSWXSHT-GXSJLCMTSA-N 0 3 253.367 2.384 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000842918091 640221266 /nfs/dbraw/zinc/22/12/66/640221266.db2.gz YTSLUASGWVWKKL-WBMJQRKESA-N 0 3 279.380 2.220 20 10 CECDHN C[C@@]1(C[NH3+])CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843118050 640287347 /nfs/dbraw/zinc/28/73/47/640287347.db2.gz ZOKWEENAGZRXSI-ZDUSSCGKSA-N 0 3 254.761 2.216 20 10 CECDHN Cc1ccc(O)c(CN2CCO[C@]3(CCSC3)C2)c1 ZINC000843417361 640421561 /nfs/dbraw/zinc/42/15/61/640421561.db2.gz CRTGKXCDRWTLPY-OAHLLOKOSA-N 0 3 279.405 2.409 20 10 CECDHN CC[C@H](C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000843427333 640426636 /nfs/dbraw/zinc/42/66/36/640426636.db2.gz LIZNHIJEWXSQEK-GXFFZTMASA-N 0 3 255.333 2.418 20 10 CECDHN CCOC(=O)[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000929977442 640884189 /nfs/dbraw/zinc/88/41/89/640884189.db2.gz UEMOSBBXPYITQW-QWHCGFSZSA-N 0 3 263.337 2.023 20 10 CECDHN CCOC(=O)[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000929977442 640884190 /nfs/dbraw/zinc/88/41/90/640884190.db2.gz UEMOSBBXPYITQW-QWHCGFSZSA-N 0 3 263.337 2.023 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000846048172 641164751 /nfs/dbraw/zinc/16/47/51/641164751.db2.gz XKQXOXWQASNYIZ-NFAWXSAZSA-N 0 3 263.337 2.200 20 10 CECDHN COc1cccc([C@@H](C)NCc2c[nH]nc2C)c1O ZINC000846154788 641205737 /nfs/dbraw/zinc/20/57/37/641205737.db2.gz MZVSWLHJCXSQEP-SNVBAGLBSA-N 0 3 261.325 2.283 20 10 CECDHN C[C@@H](NC(=O)C1(N)Cc2ccccc2C1)c1ccccc1O ZINC000877255463 650644316 /nfs/dbraw/zinc/64/43/16/650644316.db2.gz DRQHDUOKUBSBDU-GFCCVEGCSA-N 0 3 296.370 2.066 20 10 CECDHN NC(=O)c1ccc(CNCc2ccc3c(c2)CCCO3)cc1 ZINC000921481193 641292701 /nfs/dbraw/zinc/29/27/01/641292701.db2.gz DFEQZDUQQWABLP-UHFFFAOYSA-N 0 3 296.370 2.400 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000877399209 650706493 /nfs/dbraw/zinc/70/64/93/650706493.db2.gz KJGYSUDTRZRDPU-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000877399209 650706496 /nfs/dbraw/zinc/70/64/96/650706496.db2.gz KJGYSUDTRZRDPU-UHFFFAOYSA-N 0 3 291.391 2.472 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185530633 641989508 /nfs/dbraw/zinc/98/95/08/641989508.db2.gz SANWJUCVFRHXRJ-NEPJUHHUSA-N 0 3 269.410 2.465 20 10 CECDHN CCC(C)(C)N1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000848432511 641994344 /nfs/dbraw/zinc/99/43/44/641994344.db2.gz IKEHWUCSGJFXOT-UHFFFAOYSA-N 0 3 289.423 2.144 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CN(C3CC3)C(=O)O2)c([O-])c1 ZINC000848572798 642060779 /nfs/dbraw/zinc/06/07/79/642060779.db2.gz VXORELFWNIOTTA-AAEUAGOBSA-N 0 3 290.363 2.334 20 10 CECDHN CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450987 642100494 /nfs/dbraw/zinc/10/04/94/642100494.db2.gz KYMOPICSBJEAQF-RISCZKNCSA-N 0 3 263.337 2.192 20 10 CECDHN CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768450987 642100495 /nfs/dbraw/zinc/10/04/95/642100495.db2.gz KYMOPICSBJEAQF-RISCZKNCSA-N 0 3 263.337 2.192 20 10 CECDHN Cc1ccc(C[N@H+](C)CCCNC(=O)C2CCC2)c([O-])c1 ZINC000877479238 650740544 /nfs/dbraw/zinc/74/05/44/650740544.db2.gz UOXHHMDMVLOYDO-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1ccc(C[N@@H+](C)CCCNC(=O)C2CCC2)c([O-])c1 ZINC000877479238 650740546 /nfs/dbraw/zinc/74/05/46/650740546.db2.gz UOXHHMDMVLOYDO-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)C2CCC2)c([O-])c1 ZINC000850349879 642676426 /nfs/dbraw/zinc/67/64/26/642676426.db2.gz LBQVXBXMZYHYEZ-AWEZNQCLSA-N 0 3 265.353 2.042 20 10 CECDHN COc1ccc(C[NH2+]Cc2c(C3CC3)cnn2C)c([O-])c1 ZINC000850380638 642692039 /nfs/dbraw/zinc/69/20/39/642692039.db2.gz ZTBMBAOGSWPDJC-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCOC1 ZINC000850484443 642728707 /nfs/dbraw/zinc/72/87/07/642728707.db2.gz IXJOAZXMADLHDI-GZBFAFLISA-N 0 3 277.364 2.021 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000850577578 642755902 /nfs/dbraw/zinc/75/59/02/642755902.db2.gz ANMUZPOEPFPZJQ-FTYOSLGDSA-N 0 3 251.301 2.193 20 10 CECDHN CNC(=O)[C@H](CC(C)C)NCc1ccc2c(c1)CCCO2 ZINC000921939295 642796972 /nfs/dbraw/zinc/79/69/72/642796972.db2.gz XACONCDQPZOFRS-HNNXBMFYSA-N 0 3 290.407 2.262 20 10 CECDHN C[C@H]([NH2+]Cc1c2c(nn1C)CCOC2)c1ccccc1[O-] ZINC000922329627 643030813 /nfs/dbraw/zinc/03/08/13/643030813.db2.gz OSCREMGQXULLBL-NSHDSACASA-N 0 3 287.363 2.049 20 10 CECDHN Cc1ccc(CN2CCO[C@]3(CCSC3)C2)c(O)c1 ZINC000877604736 650810403 /nfs/dbraw/zinc/81/04/03/650810403.db2.gz QANBGLJGCJHFQF-OAHLLOKOSA-N 0 3 279.405 2.409 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CCc1ccccc1 ZINC000922545995 643112609 /nfs/dbraw/zinc/11/26/09/643112609.db2.gz XBDTVOHJJOLHNE-MRXNPFEDSA-N 0 3 271.360 2.476 20 10 CECDHN C[N@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1[O-] ZINC000851841887 643186738 /nfs/dbraw/zinc/18/67/38/643186738.db2.gz ZBPZSPBRXKOPSQ-ZDUSSCGKSA-N 0 3 265.353 2.366 20 10 CECDHN C[N@@H+](CC[C@H]1COC(C)(C)O1)Cc1ccccc1[O-] ZINC000851841887 643186744 /nfs/dbraw/zinc/18/67/44/643186744.db2.gz ZBPZSPBRXKOPSQ-ZDUSSCGKSA-N 0 3 265.353 2.366 20 10 CECDHN Cc1cncc(CC[NH2+]Cc2c(C)cccc2[O-])n1 ZINC000877633219 650824853 /nfs/dbraw/zinc/82/48/53/650824853.db2.gz DDALLPXYPWAGDH-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN COC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)C(C)C ZINC000922949821 643475615 /nfs/dbraw/zinc/47/56/15/643475615.db2.gz UBZMJSQJSMZTQG-GFCCVEGCSA-N 0 3 267.369 2.409 20 10 CECDHN C[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1[O-] ZINC000877755889 650899250 /nfs/dbraw/zinc/89/92/50/650899250.db2.gz RBGDCPCICQDHPP-CYBMUJFWSA-N 0 3 292.423 2.278 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877796930 650913858 /nfs/dbraw/zinc/91/38/58/650913858.db2.gz NIRXWXOVRMRAIR-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877796930 650913859 /nfs/dbraw/zinc/91/38/59/650913859.db2.gz NIRXWXOVRMRAIR-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756359798 644635480 /nfs/dbraw/zinc/63/54/80/644635480.db2.gz DLFCRROGXKYDKR-GXSJLCMTSA-N 0 3 280.343 2.194 20 10 CECDHN CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756359802 644635676 /nfs/dbraw/zinc/63/56/76/644635676.db2.gz DLFCRROGXKYDKR-KOLCDFICSA-N 0 3 280.343 2.194 20 10 CECDHN CC[S@](=O)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756577952 644671603 /nfs/dbraw/zinc/67/16/03/644671603.db2.gz SYZQGSPMKMDOLZ-OKAXRFMISA-N 0 3 285.384 2.438 20 10 CECDHN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000756583063 644671624 /nfs/dbraw/zinc/67/16/24/644671624.db2.gz MMTCXSJRCZIZRC-YPMHNXCESA-N 0 3 283.343 2.378 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(C)C2=O)c2c1c(F)ccc2[O-] ZINC000756637193 644677009 /nfs/dbraw/zinc/67/70/09/644677009.db2.gz HCXGVRWFIPUXGB-USWWRNFRSA-N 0 3 292.354 2.290 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000756738297 644688133 /nfs/dbraw/zinc/68/81/33/644688133.db2.gz NUMAFTSXYBUJDH-BLLLJJGKSA-N 0 3 279.380 2.139 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2[O-] ZINC000756782957 644692146 /nfs/dbraw/zinc/69/21/46/644692146.db2.gz XAJUINANMLSZLO-WCBMZHEXSA-N 0 3 280.343 2.181 20 10 CECDHN C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@@H]1CN ZINC000843052578 644760678 /nfs/dbraw/zinc/76/06/78/644760678.db2.gz VUTXLBFIHWQBMC-ZWNOBZJWSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@@H]1CN ZINC000843052578 644760681 /nfs/dbraw/zinc/76/06/81/644760681.db2.gz VUTXLBFIHWQBMC-ZWNOBZJWSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@@H]1CCCN(Cc2cccc(F)c2[O-])[C@@H]1C[NH3+] ZINC000843052578 644760686 /nfs/dbraw/zinc/76/06/86/644760686.db2.gz VUTXLBFIHWQBMC-ZWNOBZJWSA-N 0 3 252.333 2.091 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2CCN(C3CC3)C2)cc1F ZINC000858128029 645069613 /nfs/dbraw/zinc/06/96/13/645069613.db2.gz YOZUATWSLNFPJS-GFCCVEGCSA-N 0 3 295.377 2.357 20 10 CECDHN COC(=O)C1=CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000858472082 645172459 /nfs/dbraw/zinc/17/24/59/645172459.db2.gz FRZNOMHHKPBIAT-CMPLNLGQSA-N 0 3 261.321 2.305 20 10 CECDHN C[NH+](C)[C@H]1CCCN(C(=O)c2cc([O-])cs2)CC1 ZINC000760921069 645210994 /nfs/dbraw/zinc/21/09/94/645210994.db2.gz MFENKIURVKIAQY-JTQLQIEISA-N 0 3 268.382 2.010 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)CC(F)F)c1[O-] ZINC000763536608 645555398 /nfs/dbraw/zinc/55/53/98/645555398.db2.gz DQMHLOQLOISOJF-JTQLQIEISA-N 0 3 279.714 2.460 20 10 CECDHN CCCC[N@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441279 646123020 /nfs/dbraw/zinc/12/30/20/646123020.db2.gz IRQCWBQAUQNRQB-CQSZACIVSA-N 0 3 265.353 2.440 20 10 CECDHN CCCC[N@@H+](CC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441279 646123021 /nfs/dbraw/zinc/12/30/21/646123021.db2.gz IRQCWBQAUQNRQB-CQSZACIVSA-N 0 3 265.353 2.440 20 10 CECDHN CSC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464003 646126292 /nfs/dbraw/zinc/12/62/92/646126292.db2.gz YTWMQEVAEFLGPZ-BXUZGUMPSA-N 0 3 295.404 2.145 20 10 CECDHN CSC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768464003 646126294 /nfs/dbraw/zinc/12/62/94/646126294.db2.gz YTWMQEVAEFLGPZ-BXUZGUMPSA-N 0 3 295.404 2.145 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(C(F)F)CC1)[C@@H](O)CO2 ZINC000768463369 646126586 /nfs/dbraw/zinc/12/65/86/646126586.db2.gz SCRAZICBDFAELP-ZDUSSCGKSA-N 0 3 299.317 2.295 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1C ZINC000768465202 646127570 /nfs/dbraw/zinc/12/75/70/646127570.db2.gz YNNSFAYHGUBEGW-RULNRJAQSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@@H]1C ZINC000768465202 646127573 /nfs/dbraw/zinc/12/75/73/646127573.db2.gz YNNSFAYHGUBEGW-RULNRJAQSA-N 0 3 263.337 2.048 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285920 646377452 /nfs/dbraw/zinc/37/74/52/646377452.db2.gz LSNBGXOZXUEVOH-TZMCWYRMSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000770285920 646377455 /nfs/dbraw/zinc/37/74/55/646377455.db2.gz LSNBGXOZXUEVOH-TZMCWYRMSA-N 0 3 277.364 2.402 20 10 CECDHN CCOC(=O)C1(C[NH2+]Cc2ccc(OCC)cc2[O-])CC1 ZINC000770665317 646423527 /nfs/dbraw/zinc/42/35/27/646423527.db2.gz IUWVWWBTHQYJTE-UHFFFAOYSA-N 0 3 293.363 2.224 20 10 CECDHN CC[C@@H](CSC)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773255039 646719660 /nfs/dbraw/zinc/71/96/60/646719660.db2.gz LPXTXZKEUJGROW-FZMZJTMJSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@@H](CSC)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000773255039 646719662 /nfs/dbraw/zinc/71/96/62/646719662.db2.gz LPXTXZKEUJGROW-FZMZJTMJSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)COCCOC)c1ccccc1[O-] ZINC000775527216 646962548 /nfs/dbraw/zinc/96/25/48/646962548.db2.gz PCOVTIFEBZXSBY-JSGCOSHPSA-N 0 3 267.369 2.484 20 10 CECDHN CC[C@@H](C)NC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000775830164 646997170 /nfs/dbraw/zinc/99/71/70/646997170.db2.gz DXOPCCZSOYDGRT-CHWSQXEVSA-N 0 3 277.412 2.318 20 10 CECDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000776253292 647042608 /nfs/dbraw/zinc/04/26/08/647042608.db2.gz VBOIREYJAUJRPM-STQMWFEESA-N 0 3 296.798 2.358 20 10 CECDHN C[C@H](NC(=S)NC1CCN(C)CC1)c1ccccc1O ZINC000865269813 647225189 /nfs/dbraw/zinc/22/51/89/647225189.db2.gz BHWFRHVTWHEJGP-NSHDSACASA-N 0 3 293.436 2.012 20 10 CECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCOC1 ZINC000778996971 647279233 /nfs/dbraw/zinc/27/92/33/647279233.db2.gz XYDFBYSBKCAIQN-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCOC1 ZINC000778996971 647279238 /nfs/dbraw/zinc/27/92/38/647279238.db2.gz XYDFBYSBKCAIQN-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN CCC[C@@H](CCO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000865663003 647412967 /nfs/dbraw/zinc/41/29/67/647412967.db2.gz JAKSWBWOTWMVSR-ZDUSSCGKSA-N 0 3 267.369 2.432 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCNC2=O)c2c1c(F)ccc2[O-] ZINC000840826179 647839254 /nfs/dbraw/zinc/83/92/54/647839254.db2.gz RYEILTMQNIMCPC-FOGDFJRCSA-N 0 3 292.354 2.195 20 10 CECDHN CO[C@H](CC[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000786824606 648048173 /nfs/dbraw/zinc/04/81/73/648048173.db2.gz XFTADAVIQBJMPM-LLVKDONJSA-N 0 3 263.259 2.449 20 10 CECDHN CCOc1ccc(C[N@H+](CCOC)[C@@H]2CCOC2)c([O-])c1 ZINC000787334962 648100757 /nfs/dbraw/zinc/10/07/57/648100757.db2.gz NUPATHKFGKNLSX-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@@H+](CCOC)[C@@H]2CCOC2)c([O-])c1 ZINC000787334962 648100759 /nfs/dbraw/zinc/10/07/59/648100759.db2.gz NUPATHKFGKNLSX-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN CC(C)(C)OC(=O)N1CC(NCc2ccccc2O)C1 ZINC000122948296 648706209 /nfs/dbraw/zinc/70/62/09/648706209.db2.gz CPYILNAHOAVKST-UHFFFAOYSA-N 0 3 278.352 2.101 20 10 CECDHN CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000122948296 648706212 /nfs/dbraw/zinc/70/62/12/648706212.db2.gz CPYILNAHOAVKST-UHFFFAOYSA-N 0 3 278.352 2.101 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccc(F)nc2)c([O-])c1 ZINC000793386449 648749213 /nfs/dbraw/zinc/74/92/13/648749213.db2.gz QROGYEGFQNMGSH-UHFFFAOYSA-N 0 3 262.284 2.225 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H](O)C2)c2c1c(F)ccc2[O-] ZINC000872127361 649285808 /nfs/dbraw/zinc/28/58/08/649285808.db2.gz VHCGOZYDJTZSCO-BFLSOPEQSA-N 0 3 265.328 2.440 20 10 CECDHN C[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@H]1C[NH3+] ZINC000873217342 649594196 /nfs/dbraw/zinc/59/41/96/649594196.db2.gz ZZOYOKPEMYWQHN-MWLCHTKSSA-N 0 3 254.761 2.072 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)c1ccccc1[O-] ZINC000879649580 651335222 /nfs/dbraw/zinc/33/52/22/651335222.db2.gz WLEWJUVRPTZGFJ-MNOVXSKESA-N 0 3 261.321 2.139 20 10 CECDHN C[C@H]([NH2+]CCC1OCCCO1)c1ccccc1[O-] ZINC000879650969 651335662 /nfs/dbraw/zinc/33/56/62/651335662.db2.gz ANHYQPLXKUSXSY-NSHDSACASA-N 0 3 251.326 2.196 20 10 CECDHN CC(C)N1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650991 651335813 /nfs/dbraw/zinc/33/58/13/651335813.db2.gz BZFTVGORSKVCRC-GXTWGEPZSA-N 0 3 276.380 2.442 20 10 CECDHN CC(C)N1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000879650992 651335878 /nfs/dbraw/zinc/33/58/78/651335878.db2.gz BZFTVGORSKVCRC-JSGCOSHPSA-N 0 3 276.380 2.442 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093507458 806513400 /nfs/dbraw/zinc/51/34/00/806513400.db2.gz SFIVBZPQOMRXME-CJNGLKHVSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093507458 806513407 /nfs/dbraw/zinc/51/34/07/806513407.db2.gz SFIVBZPQOMRXME-CJNGLKHVSA-N 0 3 277.364 2.402 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCO[C@@H]1CC1(F)F)CC2 ZINC000690723677 802881020 /nfs/dbraw/zinc/88/10/20/802881020.db2.gz BFRBYWQWZNCAIV-CMPLNLGQSA-N 0 3 269.291 2.393 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032003 803670391 /nfs/dbraw/zinc/67/03/91/803670391.db2.gz PUMMTBJSHACRII-ZBEGNZNMSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c(OC)c1 ZINC001141032003 803670395 /nfs/dbraw/zinc/67/03/95/803670395.db2.gz PUMMTBJSHACRII-ZBEGNZNMSA-N 0 3 295.379 2.002 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1Cl ZINC001235986802 807907049 /nfs/dbraw/zinc/90/70/49/807907049.db2.gz CXTXWMIRRGIPQA-RISCZKNCSA-N 0 3 266.772 2.277 20 10 CECDHN CNC(=O)[C@@H]1CC12CC[NH+](Cc1ccc(C)cc1[O-])CC2 ZINC001272764560 808628391 /nfs/dbraw/zinc/62/83/91/808628391.db2.gz AZKPNGVTASOJFJ-AWEZNQCLSA-N 0 3 288.391 2.049 20 10 CECDHN CC(C)CC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000704467093 809735638 /nfs/dbraw/zinc/73/56/38/809735638.db2.gz SVCRQBJSKFTNJN-ZDUSSCGKSA-N 0 3 264.369 2.114 20 10 CECDHN CCc1cccc(CN(C)[C@H](C)C[S@@](C)=O)c1O ZINC000709309429 809960042 /nfs/dbraw/zinc/96/00/42/809960042.db2.gz UXZMZKNDDCWIPR-ADLMAVQZSA-N 0 3 269.410 2.153 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCN(C3CC3)C1)CC2 ZINC000389088050 813247335 /nfs/dbraw/zinc/24/73/35/813247335.db2.gz FYPYJFSWNCJGBK-JSGCOSHPSA-N 0 3 258.365 2.206 20 10 CECDHN CCCN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000389205087 813249225 /nfs/dbraw/zinc/24/92/25/813249225.db2.gz ATUONIACFVAWCX-UONOGXRCSA-N 0 3 260.381 2.453 20 10 CECDHN CC[C@@H]([NH2+][C@H](CCOC)COC)c1ccccc1[O-] ZINC000394096670 813336210 /nfs/dbraw/zinc/33/62/10/813336210.db2.gz RDWSQKCMTLFDNI-TZMCWYRMSA-N 0 3 267.369 2.484 20 10 CECDHN C[C@H]([NH2+]CCC1(CO)CC1)c1cc(F)ccc1[O-] ZINC000395922075 813548769 /nfs/dbraw/zinc/54/87/69/813548769.db2.gz DFBPQLQMDDFRGR-JTQLQIEISA-N 0 3 253.317 2.345 20 10 CECDHN COc1cccc(CNCc2ccc(C)cn2)c1O ZINC000400948507 814695876 /nfs/dbraw/zinc/69/58/76/814695876.db2.gz STYPNSOKAHNVGP-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC(C)CNC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC001116569040 814865868 /nfs/dbraw/zinc/86/58/68/814865868.db2.gz YZVDGZXHPRECKY-ZYHUDNBSSA-N 0 3 294.370 2.441 20 10 CECDHN CC[C@H]([NH2+]CC[C@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714353738 814897658 /nfs/dbraw/zinc/89/76/58/814897658.db2.gz ZRIJVKSYMFAOPL-OCCSQVGLSA-N 0 3 297.420 2.400 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137840241 815695016 /nfs/dbraw/zinc/69/50/16/815695016.db2.gz UKTRTTVWNATNAY-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@H]21 ZINC001137840241 815695020 /nfs/dbraw/zinc/69/50/20/815695020.db2.gz UKTRTTVWNATNAY-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN COC(=O)CCCC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001173441300 815718558 /nfs/dbraw/zinc/71/85/58/815718558.db2.gz NKKWVZNLDDKOGO-LLVKDONJSA-N 0 3 281.352 2.309 20 10 CECDHN Oc1cccnc1CN1CCCc2cc(O)c(O)cc2C1 ZINC001138396615 815790303 /nfs/dbraw/zinc/79/03/03/815790303.db2.gz VOFVUXJQHYIAKM-UHFFFAOYSA-N 0 3 286.331 2.147 20 10 CECDHN C[C@H]([NH2+][C@H]1CCC[C@@H](n2ncnn2)C1)c1ccccc1[O-] ZINC001173734484 815804917 /nfs/dbraw/zinc/80/49/17/815804917.db2.gz FWZNBLHHGMSPSS-RWMBFGLXSA-N 0 3 287.367 2.213 20 10 CECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055141 816178982 /nfs/dbraw/zinc/17/89/82/816178982.db2.gz LDIBWPCDAMSINB-ZYHUDNBSSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140055141 816178988 /nfs/dbraw/zinc/17/89/88/816178988.db2.gz LDIBWPCDAMSINB-ZYHUDNBSSA-N 0 3 281.327 2.162 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCC[C@H]1O ZINC001140057420 816179118 /nfs/dbraw/zinc/17/91/18/816179118.db2.gz GXOKWZWMUQSGNP-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCC[C@H]1O ZINC001140057420 816179124 /nfs/dbraw/zinc/17/91/24/816179124.db2.gz GXOKWZWMUQSGNP-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN CC(=O)C1CCN(Cc2cc(F)ccc2O)CC1 ZINC001140055213 816179474 /nfs/dbraw/zinc/17/94/74/816179474.db2.gz NZPRYSLBKOYMDJ-UHFFFAOYSA-N 0 3 251.301 2.332 20 10 CECDHN CC(=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140055213 816179479 /nfs/dbraw/zinc/17/94/79/816179479.db2.gz NZPRYSLBKOYMDJ-UHFFFAOYSA-N 0 3 251.301 2.332 20 10 CECDHN CCN(C(C)=O)C1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140060290 816181136 /nfs/dbraw/zinc/18/11/36/816181136.db2.gz UKHBAEDKJDXEBE-UHFFFAOYSA-N 0 3 294.370 2.364 20 10 CECDHN COC(=O)CC[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001140059906 816181286 /nfs/dbraw/zinc/18/12/86/816181286.db2.gz ALRYMFULRDQLNP-UHFFFAOYSA-N 0 3 267.300 2.059 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC001140059906 816181292 /nfs/dbraw/zinc/18/12/92/816181292.db2.gz ALRYMFULRDQLNP-UHFFFAOYSA-N 0 3 267.300 2.059 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2Cl)C[C@H]1O ZINC001140921457 816410895 /nfs/dbraw/zinc/41/08/95/816410895.db2.gz DMVDHQTUXVFKIU-IINYFYTJSA-N 0 3 268.788 2.219 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001140950850 816424247 /nfs/dbraw/zinc/42/42/47/816424247.db2.gz KUOILJYMVPLLBD-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1ccc(C[N@H+]2CCCN(c3ncccn3)CC2)c([O-])c1 ZINC001140950850 816424249 /nfs/dbraw/zinc/42/42/49/816424249.db2.gz KUOILJYMVPLLBD-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCC3(COC3)CC2)c(OC)c1 ZINC001141031471 816451168 /nfs/dbraw/zinc/45/11/68/816451168.db2.gz GHEXIPIDZWFIDR-UHFFFAOYSA-N 0 3 293.363 2.022 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H](OC)C2)c(OC)c1 ZINC001141031811 816452097 /nfs/dbraw/zinc/45/20/97/816452097.db2.gz MPYKPUKLOOXBMH-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H](OC)C2)c(OC)c1 ZINC001141031811 816452104 /nfs/dbraw/zinc/45/21/04/816452104.db2.gz MPYKPUKLOOXBMH-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H](OC)C2)c(OC)c1 ZINC001141031811 816452106 /nfs/dbraw/zinc/45/21/06/816452106.db2.gz MPYKPUKLOOXBMH-NSHDSACASA-N 0 3 281.352 2.020 20 10 CECDHN Oc1ccc(O)c(CN2CC[C@@H](Oc3cccnc3)C2)c1 ZINC001141158565 816490645 /nfs/dbraw/zinc/49/06/45/816490645.db2.gz FACZJQJXIRNZAP-OAHLLOKOSA-N 0 3 286.331 2.146 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CC2(O)CCCC2)cc1OC ZINC000180314727 344505567 /nfs/dbraw/zinc/50/55/67/344505567.db2.gz PPDZICGAXRRBAX-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CC2(O)CCCC2)cc1OC ZINC000180314727 344505568 /nfs/dbraw/zinc/50/55/68/344505568.db2.gz PPDZICGAXRRBAX-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COCCCN(C)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185553814 344509167 /nfs/dbraw/zinc/50/91/67/344509167.db2.gz GQOJFIGGGHJSGP-ZDUSSCGKSA-N 0 3 296.411 2.020 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)/C=C/CN(C)C ZINC000265895622 344660064 /nfs/dbraw/zinc/66/00/64/344660064.db2.gz MTEPVKQDOAKERM-JXMROGBWSA-N 0 3 276.380 2.249 20 10 CECDHN COc1cccc(CN2CCC[C@H](OC)C2)c1O ZINC000091772675 364072578 /nfs/dbraw/zinc/07/25/78/364072578.db2.gz UBEHEUCQDALLHD-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H](OC)C2)c1[O-] ZINC000091772675 364072579 /nfs/dbraw/zinc/07/25/79/364072579.db2.gz UBEHEUCQDALLHD-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H](OC)C2)c1[O-] ZINC000091772675 364072581 /nfs/dbraw/zinc/07/25/81/364072581.db2.gz UBEHEUCQDALLHD-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@@H](Cn1cccn1)NCc1ccc(N(C)C)c(F)c1 ZINC000113320681 364887719 /nfs/dbraw/zinc/88/77/19/364887719.db2.gz SIQJNXLRTGMIQC-LBPRGKRZSA-N 0 3 276.359 2.267 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H](CO)C(C)(C)C ZINC000180240895 368373674 /nfs/dbraw/zinc/37/36/74/368373674.db2.gz QWDBSBWVBVXWAN-ZDUSSCGKSA-N 0 3 255.333 2.370 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](CO)C(C)(C)C ZINC000180240895 368373677 /nfs/dbraw/zinc/37/36/77/368373677.db2.gz QWDBSBWVBVXWAN-ZDUSSCGKSA-N 0 3 255.333 2.370 20 10 CECDHN C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196453 368372021 /nfs/dbraw/zinc/37/20/21/368372021.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 0 3 266.360 2.446 20 10 CECDHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])CCN1C ZINC000180196453 368372022 /nfs/dbraw/zinc/37/20/22/368372022.db2.gz NFFSJWFTAWWQTR-RISCZKNCSA-N 0 3 266.360 2.446 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180560928 368387138 /nfs/dbraw/zinc/38/71/38/368387138.db2.gz ZQLBMCPKWBANFK-LLVKDONJSA-N 0 3 296.798 2.441 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](CC(N)=O)C2)c1[O-] ZINC000180560928 368387143 /nfs/dbraw/zinc/38/71/43/368387143.db2.gz ZQLBMCPKWBANFK-LLVKDONJSA-N 0 3 296.798 2.441 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCC(=O)NC(C)C)c1 ZINC000181270489 368439327 /nfs/dbraw/zinc/43/93/27/368439327.db2.gz LZTBSKDHTFGJQV-LBPRGKRZSA-N 0 3 264.369 2.266 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000188109004 369297707 /nfs/dbraw/zinc/29/77/07/369297707.db2.gz IIUSLODHVDZUEL-AAEUAGOBSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000188109004 369297712 /nfs/dbraw/zinc/29/77/12/369297712.db2.gz IIUSLODHVDZUEL-AAEUAGOBSA-N 0 3 263.337 2.023 20 10 CECDHN CC[C@H](N[C@@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000188995760 369439748 /nfs/dbraw/zinc/43/97/48/369439748.db2.gz LFPGBGPENBMODQ-WFASDCNBSA-N 0 3 277.412 2.270 20 10 CECDHN C[C@@H]1CSCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000192177086 369778534 /nfs/dbraw/zinc/77/85/34/369778534.db2.gz BPBDKZGJBKHWJK-JTQLQIEISA-N 0 3 281.377 2.306 20 10 CECDHN C[C@@H]1CSCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000192177086 369778538 /nfs/dbraw/zinc/77/85/38/369778538.db2.gz BPBDKZGJBKHWJK-JTQLQIEISA-N 0 3 281.377 2.306 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000271017660 373070240 /nfs/dbraw/zinc/07/02/40/373070240.db2.gz RTVGCUNTPKMNOT-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000271017660 373070247 /nfs/dbraw/zinc/07/02/47/373070247.db2.gz RTVGCUNTPKMNOT-ZDUSSCGKSA-N 0 3 265.353 2.138 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000271114082 373126886 /nfs/dbraw/zinc/12/68/86/373126886.db2.gz VPGSQUXGOBAZJG-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)C2)c([O-])c1 ZINC000271114082 373126898 /nfs/dbraw/zinc/12/68/98/373126898.db2.gz VPGSQUXGOBAZJG-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC000271802399 373204527 /nfs/dbraw/zinc/20/45/27/373204527.db2.gz LBUZCQUAQQZJDJ-CQSZACIVSA-N 0 3 267.369 2.240 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1 ZINC000271802399 373204530 /nfs/dbraw/zinc/20/45/30/373204530.db2.gz LBUZCQUAQQZJDJ-CQSZACIVSA-N 0 3 267.369 2.240 20 10 CECDHN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1ccccc1[O-] ZINC000368602875 373248581 /nfs/dbraw/zinc/24/85/81/373248581.db2.gz LIRYWQHBBSHGFY-XEZPLFJOSA-N 0 3 277.364 2.381 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272261102 373392827 /nfs/dbraw/zinc/39/28/27/373392827.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CCN(C)C[C@H]32)c1 ZINC000272261102 373392835 /nfs/dbraw/zinc/39/28/35/373392835.db2.gz ARCLJNKWMYBRKH-UKRRQHHQSA-N 0 3 260.381 2.227 20 10 CECDHN CCOc1cccc(CN2CCOC[C@@H](C)C2)c1O ZINC000370187149 373600061 /nfs/dbraw/zinc/60/00/61/373600061.db2.gz WAQPAKWXCOHZQD-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000370187149 373600070 /nfs/dbraw/zinc/60/00/70/373600070.db2.gz WAQPAKWXCOHZQD-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1cccc(C[N@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000370187149 373600078 /nfs/dbraw/zinc/60/00/78/373600078.db2.gz WAQPAKWXCOHZQD-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CN(Cc1ccccc1O)C(=O)CC1CCN(C)CC1 ZINC000273298863 373751504 /nfs/dbraw/zinc/75/15/04/373751504.db2.gz ZJEAALLOIIAERO-UHFFFAOYSA-N 0 3 276.380 2.083 20 10 CECDHN CN(C)c1ccc(CNC(=O)CC2CCN(C)CC2)cc1 ZINC000273319773 373751890 /nfs/dbraw/zinc/75/18/90/373751890.db2.gz YYFWZJNPTIYRKX-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)c([O-])c1C ZINC000273413707 373754847 /nfs/dbraw/zinc/75/48/47/373754847.db2.gz QFIJUNHLYLJSPC-CYBMUJFWSA-N 0 3 278.396 2.432 20 10 CECDHN COCCN(C)CC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273597421 373767069 /nfs/dbraw/zinc/76/70/69/373767069.db2.gz QZJGNQSJUFTJCV-CQSZACIVSA-N 0 3 280.412 2.238 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000273610451 373768149 /nfs/dbraw/zinc/76/81/49/373768149.db2.gz VRMBGPUWSRLMCM-KBPBESRZSA-N 0 3 278.396 2.072 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675373 374626209 /nfs/dbraw/zinc/62/62/09/374626209.db2.gz DBAQEYNJQKLPHJ-PBHICJAKSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@@H]1C[N@@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675373 374626217 /nfs/dbraw/zinc/62/62/17/374626217.db2.gz DBAQEYNJQKLPHJ-PBHICJAKSA-N 0 3 289.375 2.476 20 10 CECDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375410238 374657367 /nfs/dbraw/zinc/65/73/67/374657367.db2.gz GCNIGIZPKOSSGV-VYDXJSESSA-N 0 3 291.391 2.144 20 10 CECDHN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375410238 374657372 /nfs/dbraw/zinc/65/73/72/374657372.db2.gz GCNIGIZPKOSSGV-VYDXJSESSA-N 0 3 291.391 2.144 20 10 CECDHN CCCOc1ccc(C[NH2+]CC2([S@](C)=O)CC2)c([O-])c1 ZINC000282296360 375452020 /nfs/dbraw/zinc/45/20/20/375452020.db2.gz JJPXWNMWUCWCRF-FQEVSTJZSA-N 0 3 297.420 2.182 20 10 CECDHN Cc1ccc([C@H](C)N[C@H](C)C(=O)NCCF)c(O)c1C ZINC000282773570 375571215 /nfs/dbraw/zinc/57/12/15/375571215.db2.gz PAUWIEZEIWBBKN-NWDGAFQWSA-N 0 3 282.359 2.134 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000282778479 375571725 /nfs/dbraw/zinc/57/17/25/375571725.db2.gz QEHSBIXPSPITAZ-MEBBXXQBSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000282778479 375571731 /nfs/dbraw/zinc/57/17/31/375571731.db2.gz QEHSBIXPSPITAZ-MEBBXXQBSA-N 0 3 281.327 2.162 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCOCCO)c([O-])c1 ZINC000285054275 375834612 /nfs/dbraw/zinc/83/46/12/375834612.db2.gz IPZBGGQLWPQNJM-ZDUSSCGKSA-N 0 3 267.369 2.059 20 10 CECDHN CCOc1cccc(C[NH2+]CCC(C)(C)C(=O)OC)c1[O-] ZINC000285571876 375840699 /nfs/dbraw/zinc/84/06/99/375840699.db2.gz SMAHFIZVGQEIOX-UHFFFAOYSA-N 0 3 295.379 2.470 20 10 CECDHN Cc1cccc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000289336350 376391418 /nfs/dbraw/zinc/39/14/18/376391418.db2.gz HHMWPSGSINSEPX-MRXNPFEDSA-N 0 3 277.364 2.082 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)F ZINC000294993166 378034764 /nfs/dbraw/zinc/03/47/64/378034764.db2.gz HULLJVVLQXNGGL-KOLCDFICSA-N 0 3 263.259 2.026 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)CCO)c1 ZINC000295106746 378042106 /nfs/dbraw/zinc/04/21/06/378042106.db2.gz LBHJMICZHBFLJH-VXGBXAGGSA-N 0 3 267.369 2.460 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C2CCOCC2)c([O-])c1 ZINC000294838150 378022341 /nfs/dbraw/zinc/02/23/41/378022341.db2.gz RPPYVHGYCOUOIA-XJKSGUPXSA-N 0 3 293.407 2.447 20 10 CECDHN CCNC(=O)C(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296249759 378466190 /nfs/dbraw/zinc/46/61/90/378466190.db2.gz BDFWVIIPJSKKRV-LBPRGKRZSA-N 0 3 276.380 2.131 20 10 CECDHN CC(C)(C)N1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000296275282 378473622 /nfs/dbraw/zinc/47/36/22/378473622.db2.gz CARHCBOTSOTCSF-STQMWFEESA-N 0 3 288.391 2.369 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1[O-] ZINC000530216260 328716795 /nfs/dbraw/zinc/71/67/95/328716795.db2.gz PAIANCSNHFWMLZ-IINYFYTJSA-N 0 3 264.344 2.467 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](C)Cn2ccnc2C)c1[O-] ZINC000105442785 394721681 /nfs/dbraw/zinc/72/16/81/394721681.db2.gz PIDVXGMTEAFENB-GFCCVEGCSA-N 0 3 289.379 2.332 20 10 CECDHN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000121236842 394794214 /nfs/dbraw/zinc/79/42/14/394794214.db2.gz YEPMZJOAUKTSAB-UHFFFAOYSA-N 0 3 278.396 2.423 20 10 CECDHN COc1cccc(CN(C)C[C@@H]2CCCCO2)c1O ZINC000132605503 394933864 /nfs/dbraw/zinc/93/38/64/394933864.db2.gz QLURWXKZCXQAMH-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@]12CCCO2 ZINC000368698223 394991885 /nfs/dbraw/zinc/99/18/85/394991885.db2.gz JUSAUTXFDFNCHY-XHSDSOJGSA-N 0 3 295.354 2.348 20 10 CECDHN CCC(=O)N1CCCN(Cc2cccc(C)c2O)CC1 ZINC000373224567 395057112 /nfs/dbraw/zinc/05/71/12/395057112.db2.gz WBKQPSRPJYWCQY-UHFFFAOYSA-N 0 3 276.380 2.145 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC(n2cccn2)CC1 ZINC000374273245 395078718 /nfs/dbraw/zinc/07/87/18/395078718.db2.gz ZTGFHDWJJLTCAW-UHFFFAOYSA-N 0 3 257.337 2.426 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)c1 ZINC000182391985 395240662 /nfs/dbraw/zinc/24/06/62/395240662.db2.gz PUCSOOFZWJBXFE-TZMCWYRMSA-N 0 3 295.379 2.247 20 10 CECDHN C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccccc1[O-] ZINC000183512755 395258062 /nfs/dbraw/zinc/25/80/62/395258062.db2.gz NBGJSVQJRRBPCL-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038043967 174051641 /nfs/dbraw/zinc/05/16/41/174051641.db2.gz VUWDCXPWQNHNLH-VXGBXAGGSA-N 0 3 265.353 2.478 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128267218 260373492 /nfs/dbraw/zinc/37/34/92/260373492.db2.gz YSWJFDPQFQHZAC-OLZOCXBDSA-N 0 3 265.353 2.040 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000153153755 261074217 /nfs/dbraw/zinc/07/42/17/261074217.db2.gz FSFQZGVACBIKQX-BJHJDKERSA-N 0 3 265.353 2.042 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@@H](CC)c2ccccc2[O-])C1 ZINC000156377008 261121457 /nfs/dbraw/zinc/12/14/57/261121457.db2.gz NQZLHCSBDXBHEU-JSGCOSHPSA-N 0 3 276.380 2.444 20 10 CECDHN Cc1cc(O)c(CN2CCO[C@]3(CCOC3)C2)cc1C ZINC000184291982 262015567 /nfs/dbraw/zinc/01/55/67/262015567.db2.gz GWJBZHJRLQRGHX-MRXNPFEDSA-N 0 3 277.364 2.000 20 10 CECDHN Oc1ccccc1CN1CCN(Cc2ccncc2)CC1 ZINC000184714001 262027168 /nfs/dbraw/zinc/02/71/68/262027168.db2.gz JQFBPNUXYDUKST-UHFFFAOYSA-N 0 3 283.375 2.105 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367438277 262074899 /nfs/dbraw/zinc/07/48/99/262074899.db2.gz LZZFRZASAXNZHC-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@]3(C2)CCCOC3)c1[O-] ZINC000367438277 262074901 /nfs/dbraw/zinc/07/49/01/262074901.db2.gz LZZFRZASAXNZHC-INIZCTEOSA-N 0 3 277.364 2.403 20 10 CECDHN C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cc(F)ccc1[O-] ZINC000186092165 262079076 /nfs/dbraw/zinc/07/90/76/262079076.db2.gz SHOXPDOYLSMGAL-LLVKDONJSA-N 0 3 294.370 2.488 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC2(C)OCCO2)c([O-])c1 ZINC000186211950 262084751 /nfs/dbraw/zinc/08/47/51/262084751.db2.gz ZIHMCLUNAXZFAA-NSHDSACASA-N 0 3 251.326 2.114 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)c([O-])c1 ZINC000186540846 262098412 /nfs/dbraw/zinc/09/84/12/262098412.db2.gz ZTOHUEWDQBRXIX-RLFDGXBXSA-N 0 3 255.383 2.118 20 10 CECDHN C[C@@H](O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000272543284 263006149 /nfs/dbraw/zinc/00/61/49/263006149.db2.gz PPNXEPSESJJJMF-YPMHNXCESA-N 0 3 266.360 2.094 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000189341927 264291943 /nfs/dbraw/zinc/29/19/43/264291943.db2.gz SXURMZXJZGQVJH-TUAOUCFPSA-N 0 3 265.353 2.212 20 10 CECDHN C[C@H]([NH2+][C@H]1CCc2cn[nH]c2C1)c1ccc(F)cc1[O-] ZINC000370399377 267316212 /nfs/dbraw/zinc/31/62/12/267316212.db2.gz UCGWHZOQXRZIEW-CABZTGNLSA-N 0 3 275.327 2.463 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1C ZINC000377113265 268048561 /nfs/dbraw/zinc/04/85/61/268048561.db2.gz NAKSGNJIXONTJX-WMLDXEAASA-N 0 3 288.391 2.156 20 10 CECDHN CC[C@H]([NH2+]CCCC(=O)NC)c1ccc(C)cc1[O-] ZINC000280113180 288039379 /nfs/dbraw/zinc/03/93/79/288039379.db2.gz NSTPNIWRPUTGRG-ZDUSSCGKSA-N 0 3 264.369 2.268 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cnn(C)c1 ZINC000297704515 278387365 /nfs/dbraw/zinc/38/73/65/278387365.db2.gz MOAUQPHCPXQASX-MFKMUULPSA-N 0 3 257.337 2.464 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCN1CCCC1)CC2 ZINC000296211344 280454346 /nfs/dbraw/zinc/45/43/46/280454346.db2.gz ZLAMYCIDIHUBET-AWEZNQCLSA-N 0 3 260.381 2.455 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097440110 295167212 /nfs/dbraw/zinc/16/72/12/295167212.db2.gz NXGAXIUNOODUCV-WDEREUQCSA-N 0 3 253.342 2.070 20 10 CECDHN COc1cccc(C[N@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000092253759 327191139 /nfs/dbraw/zinc/19/11/39/327191139.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 0 3 278.396 2.174 20 10 CECDHN COc1cccc(C[N@@H+](C)C[C@H]2CCCN(C)C2)c1[O-] ZINC000092253759 327191140 /nfs/dbraw/zinc/19/11/40/327191140.db2.gz BHCUGGIDTIDXLM-ZDUSSCGKSA-N 0 3 278.396 2.174 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694311 329025369 /nfs/dbraw/zinc/02/53/69/329025369.db2.gz IJHDPEKOCJKZLP-RBSFLKMASA-N 0 3 288.391 2.396 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@H]2C(=O)N(C)C[C@H]21 ZINC000377694311 329025371 /nfs/dbraw/zinc/02/53/71/329025371.db2.gz IJHDPEKOCJKZLP-RBSFLKMASA-N 0 3 288.391 2.396 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)OCO2 ZINC000184867763 329263439 /nfs/dbraw/zinc/26/34/39/329263439.db2.gz OOJFZMROFWZFQC-UHFFFAOYSA-N 0 3 261.321 2.497 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CC3)C1)OCO2 ZINC000184867763 329263441 /nfs/dbraw/zinc/26/34/41/329263441.db2.gz OOJFZMROFWZFQC-UHFFFAOYSA-N 0 3 261.321 2.497 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CCCCO)c1[O-] ZINC000194531246 330873513 /nfs/dbraw/zinc/87/35/13/330873513.db2.gz VXNKPXYDUZZPKY-UHFFFAOYSA-N 0 3 288.185 2.325 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000228092823 333294832 /nfs/dbraw/zinc/29/48/32/333294832.db2.gz DUBSDIRXWCDDAR-QWRGUYRKSA-N 0 3 280.343 2.193 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@H](C)OC)c1[O-] ZINC000263787531 334674273 /nfs/dbraw/zinc/67/42/73/334674273.db2.gz GVVUPTYFAJZKBK-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN C[C@H]1C[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271363228 334743252 /nfs/dbraw/zinc/74/32/52/334743252.db2.gz ISJIDIQYSHVHII-QWRGUYRKSA-N 0 3 279.336 2.026 20 10 CECDHN CN(C)c1ccc(CN(C)CC2(CO)CC2)cc1F ZINC000275838346 522170204 /nfs/dbraw/zinc/17/02/04/522170204.db2.gz GPWCJGHIFCGTJV-UHFFFAOYSA-N 0 3 266.360 2.096 20 10 CECDHN CC(C)(C)OC(=O)NCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297877896 518831766 /nfs/dbraw/zinc/83/17/66/518831766.db2.gz UXLOFONYQVQFSF-GFCCVEGCSA-N 0 3 292.379 2.494 20 10 CECDHN CCC1([NH2+]Cc2cc(OC)c(OC)cc2[O-])CC1 ZINC000294700579 519846202 /nfs/dbraw/zinc/84/62/02/519846202.db2.gz CYLVOUUONDCMHM-UHFFFAOYSA-N 0 3 251.326 2.442 20 10 CECDHN CCC[C@H](C)C(=O)NCCNCc1ccc2c(c1)CCO2 ZINC000292803993 520998883 /nfs/dbraw/zinc/99/88/83/520998883.db2.gz VVEFWUNOAPUNQK-ZDUSSCGKSA-N 0 3 290.407 2.264 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN2CCC(C)(C)C2)cc1 ZINC000072827726 522188054 /nfs/dbraw/zinc/18/80/54/522188054.db2.gz NPUIXNQEFDBCNN-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN CN(C)c1ccc(CNCC2([S@@](C)=O)CCC2)cc1F ZINC000280521595 522206136 /nfs/dbraw/zinc/20/61/36/522206136.db2.gz BBKWCVUCOXBBHC-HXUWFJFHSA-N 0 3 298.427 2.283 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CN1CCCC1=O)c1ccccc1[O-] ZINC000037782115 522933670 /nfs/dbraw/zinc/93/36/70/522933670.db2.gz WGCDHYYFCQWVOX-TZMCWYRMSA-N 0 3 276.380 2.444 20 10 CECDHN COCCC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264760740 523263077 /nfs/dbraw/zinc/26/30/77/523263077.db2.gz YREKJQKZGQPARF-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN COCCC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000264760740 523263085 /nfs/dbraw/zinc/26/30/85/523263085.db2.gz YREKJQKZGQPARF-HNNXBMFYSA-N 0 3 279.380 2.410 20 10 CECDHN C[C@@H](CNC(=O)Cc1ccc(N)cc1)N1CCC(C)CC1 ZINC000236716769 524657834 /nfs/dbraw/zinc/65/78/34/524657834.db2.gz QXVRYPGWMXLATB-AWEZNQCLSA-N 0 3 289.423 2.048 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000289973043 524751836 /nfs/dbraw/zinc/75/18/36/524751836.db2.gz ZHFLZJGSZQMACO-OAHLLOKOSA-N 0 3 287.359 2.094 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H](CO)Cc2ccccc2)c1 ZINC000063218419 524754950 /nfs/dbraw/zinc/75/49/50/524754950.db2.gz YMCSHWQDFYPPSC-HNNXBMFYSA-N 0 3 287.359 2.094 20 10 CECDHN Cc1cc(O)c(CNCC2(S(C)(=O)=O)CCC2)cc1C ZINC000279954654 525322466 /nfs/dbraw/zinc/32/24/66/525322466.db2.gz ZSVNORBOJFJDCJ-UHFFFAOYSA-N 0 3 297.420 2.066 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1C ZINC000279954654 525322475 /nfs/dbraw/zinc/32/24/75/525322475.db2.gz ZSVNORBOJFJDCJ-UHFFFAOYSA-N 0 3 297.420 2.066 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000280357245 525345326 /nfs/dbraw/zinc/34/53/26/525345326.db2.gz UCGLWXMXWQMMNH-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(F)ccc1[O-] ZINC000094617707 525598901 /nfs/dbraw/zinc/59/89/01/525598901.db2.gz JWQITPJMKIVZKH-WDEREUQCSA-N 0 3 280.343 2.193 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000293035562 525726494 /nfs/dbraw/zinc/72/64/94/525726494.db2.gz ALXITERKXUUQCD-GFCCVEGCSA-N 0 3 274.368 2.113 20 10 CECDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)C(F)(F)F ZINC000270578095 525775734 /nfs/dbraw/zinc/77/57/34/525775734.db2.gz WAIBQOPPIKMYBF-GFCCVEGCSA-N 0 3 275.270 2.024 20 10 CECDHN Cc1nnc(CC[NH2+][C@@H](C)c2ccccc2[O-])s1 ZINC000289897290 526330101 /nfs/dbraw/zinc/33/01/01/526330101.db2.gz SXNGXHARGJZSBX-VIFPVBQESA-N 0 3 263.366 2.445 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)OCO2 ZINC000363384440 526335235 /nfs/dbraw/zinc/33/52/35/526335235.db2.gz KNEHCSXNIFBABA-LBPRGKRZSA-N 0 3 261.321 2.495 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CC1)OCO2 ZINC000363384440 526335241 /nfs/dbraw/zinc/33/52/41/526335241.db2.gz KNEHCSXNIFBABA-LBPRGKRZSA-N 0 3 261.321 2.495 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCCOCCO)c2c1c(F)ccc2[O-] ZINC000757637686 574514248 /nfs/dbraw/zinc/51/42/48/574514248.db2.gz MHYVOTFSJPCASI-ZYHUDNBSSA-N 0 3 283.343 2.068 20 10 CECDHN [O-]c1ccccc1C[N@H+](CCn1cncn1)C1CCCC1 ZINC000732204051 574614791 /nfs/dbraw/zinc/61/47/91/574614791.db2.gz ARCKVKCKGPNPKQ-UHFFFAOYSA-N 0 3 286.379 2.429 20 10 CECDHN [O-]c1ccccc1C[N@@H+](CCn1cncn1)C1CCCC1 ZINC000732204051 574614792 /nfs/dbraw/zinc/61/47/92/574614792.db2.gz ARCKVKCKGPNPKQ-UHFFFAOYSA-N 0 3 286.379 2.429 20 10 CECDHN CC(C)C[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732267344 574616382 /nfs/dbraw/zinc/61/63/82/574616382.db2.gz YIJOSFAZNQTIIB-UHFFFAOYSA-N 0 3 282.409 2.304 20 10 CECDHN [O-]c1ccc2ccncc2c1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435740 575121122 /nfs/dbraw/zinc/12/11/22/575121122.db2.gz JTSPWEYTMSPAOZ-BETUJISGSA-N 0 3 270.332 2.304 20 10 CECDHN [O-]c1ccc2ccncc2c1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000744435740 575121123 /nfs/dbraw/zinc/12/11/23/575121123.db2.gz JTSPWEYTMSPAOZ-BETUJISGSA-N 0 3 270.332 2.304 20 10 CECDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCOCC1 ZINC000746054261 575147646 /nfs/dbraw/zinc/14/76/46/575147646.db2.gz PHRNEJLCTSTOSI-ZDUSSCGKSA-N 0 3 293.363 2.416 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000753374250 575324926 /nfs/dbraw/zinc/32/49/26/575324926.db2.gz RMNXYMPLMLASPT-UONOGXRCSA-N 0 3 265.353 2.304 20 10 CECDHN O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000840975013 628977098 /nfs/dbraw/zinc/97/70/98/628977098.db2.gz RYGVJURURYRLMA-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000840975013 628977099 /nfs/dbraw/zinc/97/70/99/628977099.db2.gz RYGVJURURYRLMA-OAHLLOKOSA-N 0 3 288.391 2.369 20 10 CECDHN CC[C@@H]([NH2+]C[C@@](C)(O)COC)c1ccc(C)cc1[O-] ZINC000794811359 629325905 /nfs/dbraw/zinc/32/59/05/629325905.db2.gz WZQHTSCGJKKEGB-UKRRQHHQSA-N 0 3 267.369 2.139 20 10 CECDHN COc1cc(CN2CCC[C@@H]2C2OCCO2)c(O)cc1C ZINC000902624278 634739360 /nfs/dbraw/zinc/73/93/60/634739360.db2.gz HPBJOPLVJQZGQT-CYBMUJFWSA-N 0 3 293.363 2.047 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000796497696 629919681 /nfs/dbraw/zinc/91/96/81/629919681.db2.gz ODAOFKPHYRACIQ-VXGBXAGGSA-N 0 3 265.353 2.163 20 10 CECDHN CC[C@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[O-] ZINC000895132933 629940495 /nfs/dbraw/zinc/94/04/95/629940495.db2.gz COJGQXNUUBRZRL-AWEZNQCLSA-N 0 3 287.363 2.360 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000895752352 630330246 /nfs/dbraw/zinc/33/02/46/630330246.db2.gz HYDVFQQRIMQZOT-OAHLLOKOSA-N 0 3 293.313 2.364 20 10 CECDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H]1CCCOC1 ZINC000895857387 630379251 /nfs/dbraw/zinc/37/92/51/630379251.db2.gz BLYPNKYOGBYRLK-LSDHHAIUSA-N 0 3 279.380 2.232 20 10 CECDHN Cc1cc(CC[NH2+]Cc2ccc(C)cc2[O-])nn1C ZINC000896818318 630678934 /nfs/dbraw/zinc/67/89/34/630678934.db2.gz ARQQEWLZYVFJSQ-UHFFFAOYSA-N 0 3 259.353 2.075 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)NCc2cnnn2C)c1O ZINC000808719116 631261189 /nfs/dbraw/zinc/26/11/89/631261189.db2.gz RZVCTACBFOHFJE-VIFPVBQESA-N 0 3 280.759 2.333 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@@H](C)[C@@H](O)C2)cc1F ZINC000897683362 631868977 /nfs/dbraw/zinc/86/89/77/631868977.db2.gz CCEMDFFMKVOQDR-WBMJQRKESA-N 0 3 280.387 2.485 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCOC23CCOCC3)c([O-])c1 ZINC000898113258 632055391 /nfs/dbraw/zinc/05/53/91/632055391.db2.gz WESRTZTUACCCDD-OAHLLOKOSA-N 0 3 277.364 2.128 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)C2CCCC2)c([O-])c1 ZINC000810178602 632191546 /nfs/dbraw/zinc/19/15/46/632191546.db2.gz SINUFJPDSCWKSM-OAHLLOKOSA-N 0 3 279.380 2.432 20 10 CECDHN COC(=O)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])CC(C)C ZINC000813332183 632670586 /nfs/dbraw/zinc/67/05/86/632670586.db2.gz QOMNHCJOFGKYEA-GFCCVEGCSA-N 0 3 283.343 2.456 20 10 CECDHN CCOc1ccc(CNCc2cnccc2OC)c(O)c1 ZINC000814297965 632822026 /nfs/dbraw/zinc/82/20/26/632822026.db2.gz NCAKZCWDZYZERO-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@@H](O)CC[C@@H]2C)c1O ZINC000817414375 633652960 /nfs/dbraw/zinc/65/29/60/633652960.db2.gz IULUHMNHFIZVLI-CABZTGNLSA-N 0 3 285.771 2.399 20 10 CECDHN CC[C@H]([NH2+]CCNC1CC1)c1ccc(F)cc1[O-] ZINC000817951775 633796341 /nfs/dbraw/zinc/79/63/41/633796341.db2.gz AKCOVVRMAMZVGL-ZDUSSCGKSA-N 0 3 252.333 2.324 20 10 CECDHN CCC(N)(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960913 633803008 /nfs/dbraw/zinc/80/30/08/633803008.db2.gz UDZCZTDFWXVPAT-SNVBAGLBSA-N 0 3 281.356 2.469 20 10 CECDHN CCC([NH3+])(CC)CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960913 633803019 /nfs/dbraw/zinc/80/30/19/633803019.db2.gz UDZCZTDFWXVPAT-SNVBAGLBSA-N 0 3 281.356 2.469 20 10 CECDHN C[C@H](CN)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000817966423 633808718 /nfs/dbraw/zinc/80/87/18/633808718.db2.gz NLPVHLNKXCOHLC-SFYZADRCSA-N 0 3 273.174 2.153 20 10 CECDHN C[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971046 633813814 /nfs/dbraw/zinc/81/38/14/633813814.db2.gz JPAGBSNVOMMBRB-RVBZMBCESA-N 0 3 270.323 2.319 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000903343183 635071268 /nfs/dbraw/zinc/07/12/68/635071268.db2.gz NJCZFRCMHLGPMO-JSGCOSHPSA-N 0 3 296.386 2.293 20 10 CECDHN CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000824815478 635505077 /nfs/dbraw/zinc/50/50/77/635505077.db2.gz QJLCUNZDLJELPH-YGRLFVJLSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1C ZINC000824815478 635505082 /nfs/dbraw/zinc/50/50/82/635505082.db2.gz QJLCUNZDLJELPH-YGRLFVJLSA-N 0 3 253.317 2.388 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130375 635575754 /nfs/dbraw/zinc/57/57/54/635575754.db2.gz WZTCQOIJUHSAMZ-RISCZKNCSA-N 0 3 299.798 2.326 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](CCO)[C@H]2CCO[C@@H]2C)c1[O-] ZINC000825130375 635575757 /nfs/dbraw/zinc/57/57/57/635575757.db2.gz WZTCQOIJUHSAMZ-RISCZKNCSA-N 0 3 299.798 2.326 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827903824 636456573 /nfs/dbraw/zinc/45/65/73/636456573.db2.gz QHQLROMULUFLDA-UHFFFAOYSA-N 0 3 271.744 2.011 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827903824 636456575 /nfs/dbraw/zinc/45/65/75/636456575.db2.gz QHQLROMULUFLDA-UHFFFAOYSA-N 0 3 271.744 2.011 20 10 CECDHN CO[C@H](C[N@H+](C)Cc1ccccc1[O-])C1CCOCC1 ZINC000876616557 650360667 /nfs/dbraw/zinc/36/06/67/650360667.db2.gz ZKDOOOYCINLPET-MRXNPFEDSA-N 0 3 279.380 2.266 20 10 CECDHN CO[C@H](C[N@@H+](C)Cc1ccccc1[O-])C1CCOCC1 ZINC000876616557 650360668 /nfs/dbraw/zinc/36/06/68/650360668.db2.gz ZKDOOOYCINLPET-MRXNPFEDSA-N 0 3 279.380 2.266 20 10 CECDHN COC(=O)N1CCC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000834559115 637866097 /nfs/dbraw/zinc/86/60/97/637866097.db2.gz ZPJYWGFEJRMOBR-QWHCGFSZSA-N 0 3 290.363 2.200 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(F)ccc1[O-] ZINC000834850660 637970764 /nfs/dbraw/zinc/97/07/64/637970764.db2.gz OYOJBXJYAGGTKU-GXTWGEPZSA-N 0 3 296.386 2.029 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000834914452 637987047 /nfs/dbraw/zinc/98/70/47/637987047.db2.gz MYJZJDUSCFAFFX-OBJOEFQTSA-N 0 3 274.364 2.196 20 10 CECDHN COc1ccc(CN[C@@H]2C[C@H]3CCCCN3C2=O)cc1C ZINC000835072274 638048835 /nfs/dbraw/zinc/04/88/35/638048835.db2.gz DZEUVLCEQDWVMP-HUUCEWRRSA-N 0 3 288.391 2.247 20 10 CECDHN CCNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000835076375 638049744 /nfs/dbraw/zinc/04/97/44/638049744.db2.gz OYRNXICXIZMDJE-UHFFFAOYSA-N 0 3 284.787 2.358 20 10 CECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@H](N)CCC(C)C)c1 ZINC000876878737 650469461 /nfs/dbraw/zinc/46/94/61/650469461.db2.gz JTGSRCXDJOOZKG-SMDDNHRTSA-N 0 3 294.395 2.342 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC2(CCO)CC2)c1[O-] ZINC000157530228 639496592 /nfs/dbraw/zinc/49/65/92/639496592.db2.gz MSZJYAQRXLRGGQ-UHFFFAOYSA-N 0 3 285.771 2.306 20 10 CECDHN CC[S@](=O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000168766119 639581053 /nfs/dbraw/zinc/58/10/53/639581053.db2.gz QPJAIIJCWRGOGF-PIGZYNQJSA-N 0 3 255.383 2.120 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)CCN1CCCC1=O ZINC000840917266 639585518 /nfs/dbraw/zinc/58/55/18/639585518.db2.gz JOERELUBRUDULI-UHFFFAOYSA-N 0 3 289.423 2.115 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](CO)CC(F)(F)F ZINC000840938035 639592640 /nfs/dbraw/zinc/59/26/40/639592640.db2.gz YUUYPJPARQHVBU-GFCCVEGCSA-N 0 3 290.329 2.464 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000840939059 639592682 /nfs/dbraw/zinc/59/26/82/639592682.db2.gz KFBUKRQVGVKLLK-BLLLJJGKSA-N 0 3 289.423 2.147 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000840975163 639607445 /nfs/dbraw/zinc/60/74/45/639607445.db2.gz MBXBGVJKWMCUTR-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000840975163 639607447 /nfs/dbraw/zinc/60/74/47/639607447.db2.gz MBXBGVJKWMCUTR-MRXNPFEDSA-N 0 3 293.363 2.176 20 10 CECDHN CC(C)[C@@H]([NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841028734 639621487 /nfs/dbraw/zinc/62/14/87/639621487.db2.gz CZIICVGIYVFCSD-JTQLQIEISA-N 0 3 260.740 2.258 20 10 CECDHN CC[NH2+][C@H](C)CNCc1c([O-])cc(C)cc1Cl ZINC000841062936 639638280 /nfs/dbraw/zinc/63/82/80/639638280.db2.gz DTDOMCCXZHZKJT-SNVBAGLBSA-N 0 3 256.777 2.442 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CN)C2CCCC2)c([O-])c1 ZINC000841085648 639652208 /nfs/dbraw/zinc/65/22/08/639652208.db2.gz AESWGWDTYQIXCF-HNNXBMFYSA-N 0 3 278.396 2.398 20 10 CECDHN CCCN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000063755704 639888639 /nfs/dbraw/zinc/88/86/39/639888639.db2.gz DICDTOSCKQZDOD-UHFFFAOYSA-N 0 3 277.412 2.053 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000842779915 640180786 /nfs/dbraw/zinc/18/07/86/640180786.db2.gz SUPGQCLCSWXSHT-MWLCHTKSSA-N 0 3 253.367 2.384 20 10 CECDHN CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1=O ZINC000842882262 640211798 /nfs/dbraw/zinc/21/17/98/640211798.db2.gz PPJFXOYLJKDBQV-OLZOCXBDSA-N 0 3 288.391 2.369 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000842918090 640221620 /nfs/dbraw/zinc/22/16/20/640221620.db2.gz YTSLUASGWVWKKL-MLGOLLRUSA-N 0 3 279.380 2.220 20 10 CECDHN CCCN1CCC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077330 650562104 /nfs/dbraw/zinc/56/21/04/650562104.db2.gz DGCGCEKYPXTSLH-CQSZACIVSA-N 0 3 261.369 2.106 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000843420804 640422558 /nfs/dbraw/zinc/42/25/58/640422558.db2.gz IAJOIRQVBQNOET-CJNGLKHVSA-N 0 3 277.364 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000843420804 640422562 /nfs/dbraw/zinc/42/25/62/640422562.db2.gz IAJOIRQVBQNOET-CJNGLKHVSA-N 0 3 277.364 2.402 20 10 CECDHN CCC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843421356 640423005 /nfs/dbraw/zinc/42/30/05/640423005.db2.gz CENKELKPTNEAGI-CQSZACIVSA-N 0 3 266.360 2.447 20 10 CECDHN CCC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843421356 640423010 /nfs/dbraw/zinc/42/30/10/640423010.db2.gz CENKELKPTNEAGI-CQSZACIVSA-N 0 3 266.360 2.447 20 10 CECDHN COCC[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000268013105 640689939 /nfs/dbraw/zinc/68/99/39/640689939.db2.gz SBRHIAOHKOAQCM-ZDUSSCGKSA-N 0 3 296.386 2.381 20 10 CECDHN CCn1nccc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845971929 641141698 /nfs/dbraw/zinc/14/16/98/641141698.db2.gz OFUINVHULBAWQJ-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN CC(=O)OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180163097 641422313 /nfs/dbraw/zinc/42/23/13/641422313.db2.gz YMIVURLZBLLOMI-UHFFFAOYSA-N 0 3 267.300 2.059 20 10 CECDHN CC[C@H]([NH2+]C[C@](C)(CO)OC)c1ccc(C)cc1[O-] ZINC000848556369 642050805 /nfs/dbraw/zinc/05/08/05/642050805.db2.gz WCVNJWGYJJZRGT-DZGCQCFKSA-N 0 3 267.369 2.139 20 10 CECDHN CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000848556435 642052621 /nfs/dbraw/zinc/05/26/21/642052621.db2.gz XQOUSSMAVCHTFO-QMTHXVAHSA-N 0 3 287.787 2.402 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848562233 642054465 /nfs/dbraw/zinc/05/44/65/642054465.db2.gz BNUWSBBYQJDHMQ-DGCLKSJQSA-N 0 3 286.379 2.119 20 10 CECDHN C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000848919388 642191884 /nfs/dbraw/zinc/19/18/84/642191884.db2.gz KHFYGQDKJAMMIR-DZGCQCFKSA-N 0 3 290.407 2.296 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@@H]1C ZINC000877467002 650732547 /nfs/dbraw/zinc/73/25/47/650732547.db2.gz VDZYZJHKKPOWBW-NEPJUHHUSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@@H]1C ZINC000877467002 650732549 /nfs/dbraw/zinc/73/25/49/650732549.db2.gz VDZYZJHKKPOWBW-NEPJUHHUSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])[C@H]1C ZINC000877467003 650732974 /nfs/dbraw/zinc/73/29/74/650732974.db2.gz VDZYZJHKKPOWBW-NWDGAFQWSA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])[C@H]1C ZINC000877467003 650732978 /nfs/dbraw/zinc/73/29/78/650732978.db2.gz VDZYZJHKKPOWBW-NWDGAFQWSA-N 0 3 263.337 2.084 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000877481683 650742536 /nfs/dbraw/zinc/74/25/36/650742536.db2.gz PNLAOJWNJSAZJM-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(CN[C@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000877498325 650751493 /nfs/dbraw/zinc/75/14/93/650751493.db2.gz BRWHXFITYFPUJQ-SFHVURJKSA-N 0 3 299.370 2.461 20 10 CECDHN COCCO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877502973 650754660 /nfs/dbraw/zinc/75/46/60/650754660.db2.gz XMOQOPVQGCDONC-OAHLLOKOSA-N 0 3 279.380 2.328 20 10 CECDHN COCCO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877502973 650754663 /nfs/dbraw/zinc/75/46/63/650754663.db2.gz XMOQOPVQGCDONC-OAHLLOKOSA-N 0 3 279.380 2.328 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000850356360 642680070 /nfs/dbraw/zinc/68/00/70/642680070.db2.gz OVIJNTMYTSYRMF-JGRMJRGVSA-N 0 3 297.420 2.180 20 10 CECDHN CC(C)(C[NH2+]Cc1ccccc1[O-])[C@]1(O)CCCOC1 ZINC000850401035 642700911 /nfs/dbraw/zinc/70/09/11/642700911.db2.gz TWMHBKUNFGKOHM-INIZCTEOSA-N 0 3 279.380 2.050 20 10 CECDHN NC(=O)CC1(C[NH2+]Cc2ccccc2[O-])CCCCC1 ZINC000850412647 642705110 /nfs/dbraw/zinc/70/51/10/642705110.db2.gz IBUHMWGUVAQMRN-UHFFFAOYSA-N 0 3 276.380 2.308 20 10 CECDHN COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1[O-] ZINC000850429840 642709861 /nfs/dbraw/zinc/70/98/61/642709861.db2.gz KIGHEIZGPXQRFK-OAHLLOKOSA-N 0 3 279.380 2.314 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000850545762 642747783 /nfs/dbraw/zinc/74/77/83/642747783.db2.gz DXZIOCFESKFOIG-AAEUAGOBSA-N 0 3 262.353 2.020 20 10 CECDHN Cc1ccc(C[NH2+]CC(C)(C)C2(O)CCOCC2)c([O-])c1 ZINC000877593929 650804878 /nfs/dbraw/zinc/80/48/78/650804878.db2.gz JUYZYLJVQRHTHQ-UHFFFAOYSA-N 0 3 293.407 2.358 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000877590048 650803163 /nfs/dbraw/zinc/80/31/63/650803163.db2.gz WMBUNBOTGHACOY-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591358 650804553 /nfs/dbraw/zinc/80/45/53/650804553.db2.gz CJIGCKXNYWRACU-INIZCTEOSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877591358 650804555 /nfs/dbraw/zinc/80/45/55/650804555.db2.gz CJIGCKXNYWRACU-INIZCTEOSA-N 0 3 277.364 2.476 20 10 CECDHN COC1([C@@H](C)[NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877598846 650808399 /nfs/dbraw/zinc/80/83/99/650808399.db2.gz UUIGTBZUXSEAHP-CYBMUJFWSA-N 0 3 279.380 2.374 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000922516674 643100752 /nfs/dbraw/zinc/10/07/52/643100752.db2.gz VIYUSLJWPLSTLT-DOMZBBRYSA-N 0 3 263.337 2.058 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000877622722 650818575 /nfs/dbraw/zinc/81/85/75/650818575.db2.gz BLZAJLILMUEGOL-VLXJIEOASA-N 0 3 281.421 2.480 20 10 CECDHN CCOc1ccc(C[NH2+]CCc2cc(C)n(C)n2)c([O-])c1 ZINC000922689889 643205208 /nfs/dbraw/zinc/20/52/08/643205208.db2.gz PHKWWVDOMSHJRJ-UHFFFAOYSA-N 0 3 289.379 2.165 20 10 CECDHN CN(C)[C@H](CC[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000922752251 643239581 /nfs/dbraw/zinc/23/95/81/643239581.db2.gz DDQWSNYMQGXEFW-GFCCVEGCSA-N 0 3 276.302 2.364 20 10 CECDHN CCOCc1cc(CNC2CSC2)ccc1OC ZINC000877635534 650826824 /nfs/dbraw/zinc/82/68/24/650826824.db2.gz VGNMSVXNNONFIY-UHFFFAOYSA-N 0 3 267.394 2.437 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000877637698 650828856 /nfs/dbraw/zinc/82/88/56/650828856.db2.gz ZNIWWITUCKMBGR-AWEZNQCLSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000877637698 650828862 /nfs/dbraw/zinc/82/88/62/650828862.db2.gz ZNIWWITUCKMBGR-AWEZNQCLSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000877638726 650829370 /nfs/dbraw/zinc/82/93/70/650829370.db2.gz MILPISTTWGISJC-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000877638726 650829380 /nfs/dbraw/zinc/82/93/80/650829380.db2.gz MILPISTTWGISJC-AWEZNQCLSA-N 0 3 288.391 2.145 20 10 CECDHN CC1([NH2+]Cc2cc(Br)ccc2[O-])COC1 ZINC000877691761 650853021 /nfs/dbraw/zinc/85/30/21/650853021.db2.gz VQTFQBZXSXJVTJ-UHFFFAOYSA-N 0 3 272.142 2.033 20 10 CECDHN CCOC(=O)[C@H](C)C1CN(Cc2ccc(C)cc2O)C1 ZINC000877830397 650925096 /nfs/dbraw/zinc/92/50/96/650925096.db2.gz GYDJTJWAQGFXQI-GFCCVEGCSA-N 0 3 277.364 2.332 20 10 CECDHN CCOC(=O)[C@@H](C)C1CN(Cc2ccccc2O)C1 ZINC000877829444 650925417 /nfs/dbraw/zinc/92/54/17/650925417.db2.gz UEUKYLKNNCYLLC-NSHDSACASA-N 0 3 263.337 2.023 20 10 CECDHN CC(=O)NCCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756371785 644637630 /nfs/dbraw/zinc/63/76/30/644637630.db2.gz MHDORTMMNUIRTA-JOYOIKCWSA-N 0 3 280.343 2.195 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCOC[C@H]2CCOC2)c([O-])c1 ZINC000756564167 644667668 /nfs/dbraw/zinc/66/76/68/644667668.db2.gz QQITVXULXPJXBM-KBPBESRZSA-N 0 3 279.380 2.404 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000840825808 644793474 /nfs/dbraw/zinc/79/34/74/644793474.db2.gz MOTWYCXWAWUPDL-TZMCWYRMSA-N 0 3 276.380 2.268 20 10 CECDHN CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@]3([NH3+])C2)c1[O-] ZINC000857085806 644813096 /nfs/dbraw/zinc/81/30/96/644813096.db2.gz HTKUGHLCKXYJLU-WBMJQRKESA-N 0 3 292.354 2.047 20 10 CECDHN [NH3+][C@]12CCC[C@@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC000857226167 644858763 /nfs/dbraw/zinc/85/87/63/644858763.db2.gz GSDKSPAWYWWTLU-RISCZKNCSA-N 0 3 266.772 2.359 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H](C)C(=O)N(C)OC)cc1 ZINC000858586217 645213284 /nfs/dbraw/zinc/21/32/84/645213284.db2.gz GZXYKJPDAQGPLM-QWHCGFSZSA-N 0 3 293.411 2.202 20 10 CECDHN C[N@H+](CCOC1CCOCC1)Cc1ccccc1[O-] ZINC000859189758 645409226 /nfs/dbraw/zinc/40/92/26/645409226.db2.gz WRBXLBWWIFBZEB-UHFFFAOYSA-N 0 3 265.353 2.020 20 10 CECDHN C[N@@H+](CCOC1CCOCC1)Cc1ccccc1[O-] ZINC000859189758 645409230 /nfs/dbraw/zinc/40/92/30/645409230.db2.gz WRBXLBWWIFBZEB-UHFFFAOYSA-N 0 3 265.353 2.020 20 10 CECDHN CO[C@]1(C[NH2+][C@H]2C[C@H](C)c3c2c([O-])ccc3F)CCOC1 ZINC000763570472 645558542 /nfs/dbraw/zinc/55/85/42/645558542.db2.gz FEFZJCSOYIJWJQ-PKWAYOAASA-N 0 3 295.354 2.475 20 10 CECDHN CCN(Cc1cn[nH]c1)Cc1ccc(N(C)C)cc1 ZINC000768131982 646087935 /nfs/dbraw/zinc/08/79/35/646087935.db2.gz FBKGLSMXTIOKRV-UHFFFAOYSA-N 0 3 258.369 2.498 20 10 CECDHN CCCN1CCN(Cc2ccc(OCC)cc2O)CC1 ZINC000768137076 646089746 /nfs/dbraw/zinc/08/97/46/646089746.db2.gz FRSUNSZPLFHJNX-UHFFFAOYSA-N 0 3 278.396 2.319 20 10 CECDHN C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])cs3)CC[C@@H]21 ZINC000768265634 646101706 /nfs/dbraw/zinc/10/17/06/646101706.db2.gz VKWYNLKSQNWGLC-JQWIXIFHSA-N 0 3 280.393 2.010 20 10 CECDHN C[N@H+]1CCC[C@H]2CN(C(=O)c3cc([O-])cs3)CC[C@@H]21 ZINC000768265634 646101712 /nfs/dbraw/zinc/10/17/12/646101712.db2.gz VKWYNLKSQNWGLC-JQWIXIFHSA-N 0 3 280.393 2.010 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1C ZINC000768466026 646128236 /nfs/dbraw/zinc/12/82/36/646128236.db2.gz VNYTTXSUWUSDTR-ZETOZRRWSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@@H]1C ZINC000768466026 646128241 /nfs/dbraw/zinc/12/82/41/646128241.db2.gz VNYTTXSUWUSDTR-ZETOZRRWSA-N 0 3 277.364 2.296 20 10 CECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCOC1 ZINC000768521737 646134286 /nfs/dbraw/zinc/13/42/86/646134286.db2.gz UOCGOTUXHIBRPZ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CC[N@H+](Cc1c([O-])cccc1OC)C[C@@H]1CCOC1 ZINC000768521737 646134288 /nfs/dbraw/zinc/13/42/88/646134288.db2.gz UOCGOTUXHIBRPZ-LBPRGKRZSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(C[NH+]2CCC(OC(C)=O)CC2)c([O-])c1 ZINC000769427816 646265067 /nfs/dbraw/zinc/26/50/67/646265067.db2.gz YUPVQZGHWIMVNT-UHFFFAOYSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([O-])c1 ZINC000862529324 646485102 /nfs/dbraw/zinc/48/51/02/646485102.db2.gz RUAJMIDGOZORDQ-WMLDXEAASA-N 0 3 291.391 2.385 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(CO)C2)c([O-])c1 ZINC000862529324 646485108 /nfs/dbraw/zinc/48/51/08/646485108.db2.gz RUAJMIDGOZORDQ-WMLDXEAASA-N 0 3 291.391 2.385 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(C)CCCOC2)c([O-])c1 ZINC000771897818 646566860 /nfs/dbraw/zinc/56/68/60/646566860.db2.gz YOIQTZAKZPYTEM-OAHLLOKOSA-N 0 3 265.353 2.450 20 10 CECDHN CC[C@@H](N[C@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000773046418 646699155 /nfs/dbraw/zinc/69/91/55/646699155.db2.gz LFPGBGPENBMODQ-IUODEOHRSA-N 0 3 277.412 2.270 20 10 CECDHN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Br)c2[O-])CN1 ZINC000863484806 646740505 /nfs/dbraw/zinc/74/05/05/646740505.db2.gz NAFICXXQGSXQIV-KOLCDFICSA-N 0 3 299.212 2.385 20 10 CECDHN C[C@@H]1CC[C@H](NCc2cccc(Br)c2[O-])C[NH2+]1 ZINC000863484806 646740507 /nfs/dbraw/zinc/74/05/07/646740507.db2.gz NAFICXXQGSXQIV-KOLCDFICSA-N 0 3 299.212 2.385 20 10 CECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cc(F)ccc1[O-] ZINC000863543247 646751744 /nfs/dbraw/zinc/75/17/44/646751744.db2.gz MHBIHSUMMBYZEL-TVYUQYBPSA-N 0 3 252.333 2.322 20 10 CECDHN C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000863547659 646753749 /nfs/dbraw/zinc/75/37/49/646753749.db2.gz RGXLXGCSXXABFV-WCABBAIRSA-N 0 3 270.323 2.462 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC[C@@H](C)NC1)c1cc(F)cc(F)c1[O-] ZINC000863547659 646753753 /nfs/dbraw/zinc/75/37/53/646753753.db2.gz RGXLXGCSXXABFV-WCABBAIRSA-N 0 3 270.323 2.462 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CCO)CC1 ZINC000778996482 647280183 /nfs/dbraw/zinc/28/01/83/647280183.db2.gz QUHURGKVLJCUGH-UHFFFAOYSA-N 0 3 253.317 2.126 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1O ZINC000779199674 647297107 /nfs/dbraw/zinc/29/71/07/647297107.db2.gz GNAVBVNNGDFXOH-ABAIWWIYSA-N 0 3 266.360 2.094 20 10 CECDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)c1ccccc1[O-] ZINC000783519998 647723997 /nfs/dbraw/zinc/72/39/97/647723997.db2.gz OFKYTAASNHPGRR-CHWSQXEVSA-N 0 3 275.348 2.487 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](OCCOC)C2)c([O-])c1 ZINC000783715216 647750542 /nfs/dbraw/zinc/75/05/42/647750542.db2.gz KQLKZPMWCOTFIL-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](OCCOC)C2)c([O-])c1 ZINC000783715216 647750546 /nfs/dbraw/zinc/75/05/46/647750546.db2.gz KQLKZPMWCOTFIL-HNNXBMFYSA-N 0 3 295.379 2.028 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C2CN(c3ccncn3)C2)c([O-])c1 ZINC000866495354 647806224 /nfs/dbraw/zinc/80/62/24/647806224.db2.gz BOAGFVGKEIEXEG-LBPRGKRZSA-N 0 3 284.363 2.030 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1ccnn1C ZINC000866616152 647843542 /nfs/dbraw/zinc/84/35/42/647843542.db2.gz ZJJNYFVYWWRUFT-PWSUYJOCSA-N 0 3 257.337 2.464 20 10 CECDHN COc1cc(Cl)cc(CN2C[C@H](O)C[C@H]2C)c1O ZINC000788268593 648167350 /nfs/dbraw/zinc/16/73/50/648167350.db2.gz GKOWXGAKLVDDLX-LDYMZIIASA-N 0 3 271.744 2.009 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c([O-])c1 ZINC000788633826 648209516 /nfs/dbraw/zinc/20/95/16/648209516.db2.gz VADPXSDPMQFCLG-WMLDXEAASA-N 0 3 293.407 2.449 20 10 CECDHN C[C@H]1CC[C@H](C)N1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202298 649030772 /nfs/dbraw/zinc/03/07/72/649030772.db2.gz CPJKRBHAEDCVBM-RYUDHWBXSA-N 0 3 274.364 2.107 20 10 CECDHN CCCOc1ccc(CN[C@@H]2COCC[C@H]2O)cc1C ZINC000873150178 649570388 /nfs/dbraw/zinc/57/03/88/649570388.db2.gz YZLFQCRNEPQFRB-HUUCEWRRSA-N 0 3 279.380 2.023 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)c([O-])c1 ZINC000873161634 649575502 /nfs/dbraw/zinc/57/55/02/649575502.db2.gz AMTWVUMAHWGPJK-LBPRGKRZSA-N 0 3 293.363 2.224 20 10 CECDHN C[C@@H](N[C@@H](C)CO)c1ccc(N2CCOCC2)cc1Cl ZINC000127544480 651251610 /nfs/dbraw/zinc/25/16/10/651251610.db2.gz LOSSNBHOFXNTEN-NWDGAFQWSA-N 0 3 298.814 2.208 20 10 CECDHN CCCNC(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648937 651335311 /nfs/dbraw/zinc/33/53/11/651335311.db2.gz GREUXCDVQVEROO-GFCCVEGCSA-N 0 3 264.369 2.349 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)COCc1ccco1)c1ccccc1[O-] ZINC000879648733 651335479 /nfs/dbraw/zinc/33/54/79/651335479.db2.gz BFIJXCSMBFESOU-OLZOCXBDSA-N 0 3 291.347 2.214 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccccc1[O-] ZINC000879650356 651335635 /nfs/dbraw/zinc/33/56/35/651335635.db2.gz WOKPIVNGZWZQCT-STQMWFEESA-N 0 3 279.380 2.099 20 10 CECDHN C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000131512636 652432199 /nfs/dbraw/zinc/43/21/99/652432199.db2.gz VEINKGLCXFLPLA-SKDRFNHKSA-N 0 3 254.761 2.357 20 10 CECDHN COc1ccc(O)c(CNCc2cncs2)c1 ZINC000133110046 652600181 /nfs/dbraw/zinc/60/01/81/652600181.db2.gz LFZDUJMETVTELT-UHFFFAOYSA-N 0 3 250.323 2.147 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCCOCC(F)(F)F ZINC000134226375 652795698 /nfs/dbraw/zinc/79/56/98/652795698.db2.gz RJRAGGMQHALXHJ-UHFFFAOYSA-N 0 3 263.259 2.451 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCCCC1)c1ccccc1[O-] ZINC000135719619 652980233 /nfs/dbraw/zinc/98/02/33/652980233.db2.gz ZSBSSNKSRMUHLQ-GFCCVEGCSA-N 0 3 262.353 2.055 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093507457 806513564 /nfs/dbraw/zinc/51/35/64/806513564.db2.gz SFIVBZPQOMRXME-CZUORRHYSA-N 0 3 277.364 2.402 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c([O-])c1 ZINC000093507457 806513569 /nfs/dbraw/zinc/51/35/69/806513569.db2.gz SFIVBZPQOMRXME-CZUORRHYSA-N 0 3 277.364 2.402 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724814794 803495053 /nfs/dbraw/zinc/49/50/53/803495053.db2.gz VPLBGMNMGHCRQS-HZMBPMFUSA-N 0 3 251.301 2.142 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724814794 803495056 /nfs/dbraw/zinc/49/50/56/803495056.db2.gz VPLBGMNMGHCRQS-HZMBPMFUSA-N 0 3 251.301 2.142 20 10 CECDHN [NH3+][C@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001205124694 807724934 /nfs/dbraw/zinc/72/49/34/807724934.db2.gz YFLLVTFAOVGBRM-JTQLQIEISA-N 0 3 272.751 2.498 20 10 CECDHN CN1CC[C@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618079 807821391 /nfs/dbraw/zinc/82/13/91/807821391.db2.gz AVQFWWLOFRMNBD-KRWDZBQOSA-N 0 3 288.391 2.227 20 10 CECDHN CN1CC[C@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618079 807821399 /nfs/dbraw/zinc/82/13/99/807821399.db2.gz AVQFWWLOFRMNBD-KRWDZBQOSA-N 0 3 288.391 2.227 20 10 CECDHN COc1cc(C)c(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001236809016 808169299 /nfs/dbraw/zinc/16/92/99/808169299.db2.gz SPHVELVUICZUNF-CYBMUJFWSA-N 0 3 279.380 2.304 20 10 CECDHN COc1cc(C)c(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC001236809016 808169302 /nfs/dbraw/zinc/16/93/02/808169302.db2.gz SPHVELVUICZUNF-CYBMUJFWSA-N 0 3 279.380 2.304 20 10 CECDHN CCOc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001237050945 808188057 /nfs/dbraw/zinc/18/80/57/808188057.db2.gz YTHDGJPRHMLMEY-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001237050945 808188059 /nfs/dbraw/zinc/18/80/59/808188059.db2.gz YTHDGJPRHMLMEY-AAEUAGOBSA-N 0 3 265.353 2.136 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])CC12CC2 ZINC001237491677 808221171 /nfs/dbraw/zinc/22/11/71/808221171.db2.gz QKBINWYOQKGQIU-ZDUSSCGKSA-N 0 3 275.348 2.086 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])CC12CC2 ZINC001237491677 808221175 /nfs/dbraw/zinc/22/11/75/808221175.db2.gz QKBINWYOQKGQIU-ZDUSSCGKSA-N 0 3 275.348 2.086 20 10 CECDHN COc1cc(CN2CCC[C@H](OC)C2)c(O)c(OC)c1 ZINC001237674926 808238610 /nfs/dbraw/zinc/23/86/10/808238610.db2.gz NIOLRUJTWFEYGA-LBPRGKRZSA-N 0 3 281.352 2.020 20 10 CECDHN CN1CC[C@]2(CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457850 809651123 /nfs/dbraw/zinc/65/11/23/809651123.db2.gz FUDPKBKJCOIYAM-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN CN1CC[C@]2(CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)C1 ZINC000703457850 809651125 /nfs/dbraw/zinc/65/11/25/809651125.db2.gz FUDPKBKJCOIYAM-HNNXBMFYSA-N 0 3 282.334 2.198 20 10 CECDHN Oc1cccc(F)c1CN1CC(N2CCC(F)CC2)C1 ZINC001137838744 809808319 /nfs/dbraw/zinc/80/83/19/809808319.db2.gz JNOMRAVORUHIKV-UHFFFAOYSA-N 0 3 282.334 2.149 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2c(C)cc(C)cc2[O-])C1 ZINC001170523767 812619172 /nfs/dbraw/zinc/61/91/72/812619172.db2.gz INPVWBKGCYDQTQ-CHWSQXEVSA-N 0 3 277.364 2.440 20 10 CECDHN CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC001172917388 815544605 /nfs/dbraw/zinc/54/46/05/815544605.db2.gz FZVLUVMTZQSHOB-WCQYABFASA-N 0 3 251.326 2.145 20 10 CECDHN CCCN1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000389205088 813249823 /nfs/dbraw/zinc/24/98/23/813249823.db2.gz ATUONIACFVAWCX-ZIAGYGMSSA-N 0 3 260.381 2.453 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2CC(=O)N(CC)C2)cc1 ZINC000391475148 813285582 /nfs/dbraw/zinc/28/55/82/813285582.db2.gz OAYJOYJAGWTNIC-OAHLLOKOSA-N 0 3 289.423 2.243 20 10 CECDHN CC1(C)CN(Cc2cc(Br)ccc2[O-])CC[NH2+]1 ZINC000396049889 813556139 /nfs/dbraw/zinc/55/61/39/813556139.db2.gz DFAAGKCGEPNIDU-UHFFFAOYSA-N 0 3 299.212 2.339 20 10 CECDHN COc1cc(CNCc2ccccc2O)sn1 ZINC000399218532 813703588 /nfs/dbraw/zinc/70/35/88/813703588.db2.gz XTDSMLMFBQIORW-UHFFFAOYSA-N 0 3 250.323 2.147 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000694778801 814636398 /nfs/dbraw/zinc/63/63/98/814636398.db2.gz YIOUTEFJQHGMPY-VXGBXAGGSA-N 0 3 283.393 2.010 20 10 CECDHN CCN1CC[C@H]1C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000712568785 814767247 /nfs/dbraw/zinc/76/72/47/814767247.db2.gz GIUFUAKTMFTFEQ-LBPRGKRZSA-N 0 3 284.787 2.238 20 10 CECDHN COC(=O)CC(C)(C)[N@H+](C)Cc1ccccc1[O-] ZINC001116449287 814854702 /nfs/dbraw/zinc/85/47/02/814854702.db2.gz PLNVMWDPHLOKFV-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN COC(=O)CC(C)(C)[N@@H+](C)Cc1ccccc1[O-] ZINC001116449287 814854708 /nfs/dbraw/zinc/85/47/08/814854708.db2.gz PLNVMWDPHLOKFV-UHFFFAOYSA-N 0 3 251.326 2.166 20 10 CECDHN CCC[NH+]1C[C@@H]2CN(Cc3c([O-])cccc3F)C[C@H]2C1 ZINC001137840402 815695704 /nfs/dbraw/zinc/69/57/04/815695704.db2.gz ZJJXQPNARCSLPU-CHWSQXEVSA-N 0 3 278.371 2.305 20 10 CECDHN C[N@@H+]1CC[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139681235 816079972 /nfs/dbraw/zinc/07/99/72/816079972.db2.gz NDSAMVKVMYCGDV-MNOVXSKESA-N 0 3 282.334 2.054 20 10 CECDHN C[N@H+]1CC[C@@H]2CN(Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139681235 816079976 /nfs/dbraw/zinc/07/99/76/816079976.db2.gz NDSAMVKVMYCGDV-MNOVXSKESA-N 0 3 282.334 2.054 20 10 CECDHN CC[N@H+]1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001140342572 816237371 /nfs/dbraw/zinc/23/73/71/816237371.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 0 3 280.799 2.429 20 10 CECDHN CC[N@@H+]1C[C@H]2CN(Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001140342572 816237374 /nfs/dbraw/zinc/23/73/74/816237374.db2.gz PPSBTMVCOXYMST-TXEJJXNPSA-N 0 3 280.799 2.429 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001140947750 816422345 /nfs/dbraw/zinc/42/23/45/816422345.db2.gz DDXLALAAQYVGLT-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c([O-])c1 ZINC001140947750 816422347 /nfs/dbraw/zinc/42/23/47/816422347.db2.gz DDXLALAAQYVGLT-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001140954439 816424122 /nfs/dbraw/zinc/42/41/22/816424122.db2.gz RNFBARSCFCQSBQ-AWEZNQCLSA-N 0 3 277.364 2.428 20 10 CECDHN Cc1ccc(C[N@H+](C)[C@H]2CCC3(C2)OCCO3)c([O-])c1 ZINC001140954439 816424126 /nfs/dbraw/zinc/42/41/26/816424126.db2.gz RNFBARSCFCQSBQ-AWEZNQCLSA-N 0 3 277.364 2.428 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCSC1 ZINC000125020809 365664208 /nfs/dbraw/zinc/66/42/08/365664208.db2.gz LFHMHVWIAHKVMF-JTQLQIEISA-N 0 3 267.350 2.058 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)[C@H]1CCSC1 ZINC000125020809 365664210 /nfs/dbraw/zinc/66/42/10/365664210.db2.gz LFHMHVWIAHKVMF-JTQLQIEISA-N 0 3 267.350 2.058 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000019963569 361572218 /nfs/dbraw/zinc/57/22/18/361572218.db2.gz MLYHXVQHBVONQZ-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN CN(C)[C@H](CNC(=O)Cc1ccc(N)cc1)c1ccccc1 ZINC000237193310 370699739 /nfs/dbraw/zinc/69/97/39/370699739.db2.gz KUVCEPVVTPMWCL-QGZVFWFLSA-N 0 3 297.402 2.230 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)C[S@@](C)=O)cc1 ZINC000168215896 367350367 /nfs/dbraw/zinc/35/03/67/367350367.db2.gz GLUYKHMCAPUWFL-DJJJIMSYSA-N 0 3 282.453 2.389 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000180025197 368362785 /nfs/dbraw/zinc/36/27/85/368362785.db2.gz MDTSUWOOCGVGJG-AWEZNQCLSA-N 0 3 264.344 2.201 20 10 CECDHN COc1ccc(O)c(CN(C)CCOCC2CC2)c1 ZINC000180581617 368388284 /nfs/dbraw/zinc/38/82/84/368388284.db2.gz SRUFSLUUBKZJNK-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])C(=O)NC(C)(C)C ZINC000181234807 368435218 /nfs/dbraw/zinc/43/52/18/368435218.db2.gz RATOBHMDTIGVPI-NXEZZACHSA-N 0 3 282.359 2.485 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000189341949 369501149 /nfs/dbraw/zinc/50/11/49/369501149.db2.gz SXURMZXJZGQVJH-UTUOFQBUSA-N 0 3 265.353 2.212 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1OC ZINC000190303898 369611229 /nfs/dbraw/zinc/61/12/29/369611229.db2.gz BACNIPWPZPGLST-WCQYABFASA-N 0 3 295.379 2.050 20 10 CECDHN C[C@@H]1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)c2c([O-])cccc21 ZINC000638317613 370443012 /nfs/dbraw/zinc/44/30/12/370443012.db2.gz MLVJHBZSRXJFEB-ZYHUDNBSSA-N 0 3 272.348 2.280 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000233250874 370518123 /nfs/dbraw/zinc/51/81/23/370518123.db2.gz PSRALCKDJMJJAM-IYBDPMFKSA-N 0 3 295.379 2.027 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@@H](OC)[C@@H](OC)C2)c([O-])c1 ZINC000233250874 370518124 /nfs/dbraw/zinc/51/81/24/370518124.db2.gz PSRALCKDJMJJAM-IYBDPMFKSA-N 0 3 295.379 2.027 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000248876503 371261280 /nfs/dbraw/zinc/26/12/80/371261280.db2.gz WCHMKTPZKPUJMS-XPKDYRNWSA-N 0 3 289.375 2.474 20 10 CECDHN COc1cc([O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1OC ZINC000271121090 373131044 /nfs/dbraw/zinc/13/10/44/373131044.db2.gz YDNUUYQYDNMGEK-QWRGUYRKSA-N 0 3 265.353 2.497 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306773 373147625 /nfs/dbraw/zinc/14/76/25/373147625.db2.gz AMPCXIISNYKRNS-GOEBONIOSA-N 0 3 292.423 2.232 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000367306773 373147628 /nfs/dbraw/zinc/14/76/28/373147628.db2.gz AMPCXIISNYKRNS-GOEBONIOSA-N 0 3 292.423 2.232 20 10 CECDHN CN(C)c1ccc(CN2CCC(C)(O)CC2)cc1F ZINC000271197314 373173791 /nfs/dbraw/zinc/17/37/91/373173791.db2.gz RZOAOKSCVCXDEI-UHFFFAOYSA-N 0 3 266.360 2.239 20 10 CECDHN CCC[N@H+](Cc1cc(OC)ccc1[O-])CC(C)(C)O ZINC000271698803 373198404 /nfs/dbraw/zinc/19/84/04/373198404.db2.gz BZKZJQVXSXFWSG-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CCC[N@@H+](Cc1cc(OC)ccc1[O-])CC(C)(C)O ZINC000271698803 373198407 /nfs/dbraw/zinc/19/84/07/373198407.db2.gz BZKZJQVXSXFWSG-UHFFFAOYSA-N 0 3 267.369 2.384 20 10 CECDHN CC(C)[N@@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272227759 373371785 /nfs/dbraw/zinc/37/17/85/373371785.db2.gz DFVKDELJXFDIJH-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC(C)[N@H+]1CCCN(Cc2cc(F)ccc2[O-])CC1 ZINC000272227759 373371792 /nfs/dbraw/zinc/37/17/92/373371792.db2.gz DFVKDELJXFDIJH-UHFFFAOYSA-N 0 3 266.360 2.447 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](O)C(F)(F)F ZINC000272520642 373529703 /nfs/dbraw/zinc/52/97/03/373529703.db2.gz YFPDBPGHVAHJJS-ONGXEEELSA-N 0 3 281.249 2.323 20 10 CECDHN C[C@@H]([NH2+]C[C@@]1(N(C)C)CCSC1)c1ccccc1[O-] ZINC000272931962 373719442 /nfs/dbraw/zinc/71/94/42/373719442.db2.gz ZQRYRUNWPUVEKW-DOMZBBRYSA-N 0 3 280.437 2.480 20 10 CECDHN Cc1ccc([C@@H](C)NCC(=O)NCC2CC2)c(O)c1C ZINC000273497848 373760232 /nfs/dbraw/zinc/76/02/32/373760232.db2.gz YFCLOZPSWLLBDZ-GFCCVEGCSA-N 0 3 276.380 2.186 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000371412439 373872993 /nfs/dbraw/zinc/87/29/93/373872993.db2.gz GTHMWTQISWVFBJ-YUELXQCFSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(N)=O)c1 ZINC000371412439 373872998 /nfs/dbraw/zinc/87/29/98/373872998.db2.gz GTHMWTQISWVFBJ-YUELXQCFSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1cccc(C[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000371425127 373876953 /nfs/dbraw/zinc/87/69/53/373876953.db2.gz RCQSJWPMAGRXDX-QEJZJMRPSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1cccc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000371425127 373876961 /nfs/dbraw/zinc/87/69/61/373876961.db2.gz RCQSJWPMAGRXDX-QEJZJMRPSA-N 0 3 288.391 2.319 20 10 CECDHN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890913 374635497 /nfs/dbraw/zinc/63/54/97/374635497.db2.gz FFRGXWZCBJFGMW-SMDDNHRTSA-N 0 3 292.354 2.022 20 10 CECDHN O=C1C[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890913 374635505 /nfs/dbraw/zinc/63/55/05/374635505.db2.gz FFRGXWZCBJFGMW-SMDDNHRTSA-N 0 3 292.354 2.022 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374998464 374638687 /nfs/dbraw/zinc/63/86/87/374638687.db2.gz NLLQCFMNIJXDMZ-STQMWFEESA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1 ZINC000374998464 374638694 /nfs/dbraw/zinc/63/86/94/374638694.db2.gz NLLQCFMNIJXDMZ-STQMWFEESA-N 0 3 277.364 2.259 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000374674046 374626524 /nfs/dbraw/zinc/62/65/24/374626524.db2.gz AHRYVVHMKYSFJA-CZUORRHYSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000374674046 374626529 /nfs/dbraw/zinc/62/65/29/374626529.db2.gz AHRYVVHMKYSFJA-CZUORRHYSA-N 0 3 275.348 2.167 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCCO)cc1F ZINC000281823541 375398482 /nfs/dbraw/zinc/39/84/82/375398482.db2.gz RHJHSOJGIXHZSI-UHFFFAOYSA-N 0 3 268.376 2.486 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284277547 375826404 /nfs/dbraw/zinc/82/64/04/375826404.db2.gz XGABCKVNMXJGBC-XJKSGUPXSA-N 0 3 281.396 2.447 20 10 CECDHN CC[C@H]([NH2+]CC1(O)CCN(C)CC1)c1ccc(F)cc1[O-] ZINC000285929056 375846317 /nfs/dbraw/zinc/84/63/17/375846317.db2.gz FDNXTSCFLNXTFT-AWEZNQCLSA-N 0 3 296.386 2.029 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1 ZINC000289195506 376389017 /nfs/dbraw/zinc/38/90/17/376389017.db2.gz AZXKMAQSBZEMEN-NEPJUHHUSA-N 0 3 265.353 2.163 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@@H](O)C(F)F ZINC000294989582 378034432 /nfs/dbraw/zinc/03/44/32/378034432.db2.gz HIMCAUZCVNQYBX-ZYHUDNBSSA-N 0 3 259.296 2.195 20 10 CECDHN CCN(CC)CCSc1ncc(C(=O)OC)s1 ZINC000295165385 378045903 /nfs/dbraw/zinc/04/59/03/378045903.db2.gz HPBUKSNWOULHDL-UHFFFAOYSA-N 0 3 274.411 2.364 20 10 CECDHN CC[C@H](N[C@H]1CCCNC1=O)c1ccc(N(C)C)cc1 ZINC000296345199 378498685 /nfs/dbraw/zinc/49/86/85/378498685.db2.gz IAJXUDMGUWMONS-GJZGRUSLSA-N 0 3 275.396 2.072 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccc(F)cc1[O-] ZINC000530216261 328716798 /nfs/dbraw/zinc/71/67/98/328716798.db2.gz PAIANCSNHFWMLZ-QMTHXVAHSA-N 0 3 264.344 2.467 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCN(C)C)c1 ZINC000273363270 292014319 /nfs/dbraw/zinc/01/43/19/292014319.db2.gz AUFQVJNPHHBURH-RYUDHWBXSA-N 0 3 294.395 2.170 20 10 CECDHN Cc1ccc(O)c(CN2CCN(CCOC(C)C)CC2)c1 ZINC000093586756 394667037 /nfs/dbraw/zinc/66/70/37/394667037.db2.gz LYRXSZFOUNACSK-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN CCN1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000104853219 394720971 /nfs/dbraw/zinc/72/09/71/394720971.db2.gz IPBBBWZWOJVYLB-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CSC[C@](C)(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000120671222 394781797 /nfs/dbraw/zinc/78/17/97/394781797.db2.gz UYVQKPFRJRYYCI-CQSZACIVSA-N 0 3 286.416 2.095 20 10 CECDHN COCCn1cc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cn1 ZINC000281945973 394883360 /nfs/dbraw/zinc/88/33/60/394883360.db2.gz BTCSVEQMPNECPX-CYBMUJFWSA-N 0 3 289.379 2.394 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)CC[S@@](C)=O)c1[O-] ZINC000125567162 394844038 /nfs/dbraw/zinc/84/40/38/394844038.db2.gz BGCMNPWYVLVSIQ-WYRIXSBYSA-N 0 3 285.409 2.038 20 10 CECDHN COc1cc(O)c(CN2CCCCC2)cc1OC ZINC000138356636 394972748 /nfs/dbraw/zinc/97/27/48/394972748.db2.gz LVUSEBTWBSTGPH-UHFFFAOYSA-N 0 3 251.326 2.395 20 10 CECDHN COc1cc([O-])c(C[NH+]2CCCCC2)cc1OC ZINC000138356636 394972752 /nfs/dbraw/zinc/97/27/52/394972752.db2.gz LVUSEBTWBSTGPH-UHFFFAOYSA-N 0 3 251.326 2.395 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373216894 395056925 /nfs/dbraw/zinc/05/69/25/395056925.db2.gz OZUWPSOJKGAXGY-CABCVRRESA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000373216894 395056927 /nfs/dbraw/zinc/05/69/27/395056927.db2.gz OZUWPSOJKGAXGY-CABCVRRESA-N 0 3 288.391 2.191 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000376470185 395121379 /nfs/dbraw/zinc/12/13/79/395121379.db2.gz ABBZZPNLEWHUDM-CYBMUJFWSA-N 0 3 293.338 2.306 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC12CCC2 ZINC000376470185 395121381 /nfs/dbraw/zinc/12/13/81/395121381.db2.gz ABBZZPNLEWHUDM-CYBMUJFWSA-N 0 3 293.338 2.306 20 10 CECDHN COCCN(C)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000293261022 395226338 /nfs/dbraw/zinc/22/63/38/395226338.db2.gz CAGKZVKSFIWPON-AWEZNQCLSA-N 0 3 280.412 2.238 20 10 CECDHN Cc1cccc(CN2CCCC3(C2)OCCO3)c1O ZINC000182079476 395231928 /nfs/dbraw/zinc/23/19/28/395231928.db2.gz HYENYTGMJOVUEM-UHFFFAOYSA-N 0 3 263.337 2.040 20 10 CECDHN CC[NH+](CC)CCCCNC(=O)c1ccc(C)c(O)c1[O-] ZINC000182438046 395242849 /nfs/dbraw/zinc/24/28/49/395242849.db2.gz GDZVLMNUBFVRFO-UHFFFAOYSA-N 0 3 294.395 2.258 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000188468480 395316267 /nfs/dbraw/zinc/31/62/67/395316267.db2.gz QZSUNYCROYJZSP-VXGBXAGGSA-N 0 3 264.369 2.218 20 10 CECDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CN1CCOCC1 ZINC000183522733 395259281 /nfs/dbraw/zinc/25/92/81/395259281.db2.gz PFXKCNJYRUBJLJ-ZIAGYGMSSA-N 0 3 278.396 2.011 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C ZINC000529676591 395430474 /nfs/dbraw/zinc/43/04/74/395430474.db2.gz KPJUSSOMVMITCG-QEEYODRMSA-N 0 3 293.432 2.494 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1C ZINC000529676591 395430479 /nfs/dbraw/zinc/43/04/79/395430479.db2.gz KPJUSSOMVMITCG-QEEYODRMSA-N 0 3 293.432 2.494 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682983 395431283 /nfs/dbraw/zinc/43/12/83/395431283.db2.gz YITWVFRLXMLRSD-BIENJYKASA-N 0 3 279.405 2.186 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682983 395431286 /nfs/dbraw/zinc/43/12/86/395431286.db2.gz YITWVFRLXMLRSD-BIENJYKASA-N 0 3 279.405 2.186 20 10 CECDHN COc1cccc(C[NH2+]CCCOC(C)C)c1[O-] ZINC000020198038 171062163 /nfs/dbraw/zinc/06/21/63/171062163.db2.gz ILRXGKHUCPWTSF-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN Fc1cc(CNCc2cc[nH]c2)ccc1N1CCOCC1 ZINC000175698998 419453597 /nfs/dbraw/zinc/45/35/97/419453597.db2.gz RMKRIBOXGYDSOT-UHFFFAOYSA-N 0 3 289.354 2.280 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C)CC(=O)NC)cc1 ZINC000298681864 260161746 /nfs/dbraw/zinc/16/17/46/260161746.db2.gz FMGDTWZKPHCROA-CYBMUJFWSA-N 0 3 277.412 2.147 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@H]2C)cc1OC ZINC000160322258 261210818 /nfs/dbraw/zinc/21/08/18/261210818.db2.gz DYJDQJOQFOIDKQ-SNVBAGLBSA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@H]2C)cc1OC ZINC000160322258 261210820 /nfs/dbraw/zinc/21/08/20/261210820.db2.gz DYJDQJOQFOIDKQ-SNVBAGLBSA-N 0 3 251.326 2.394 20 10 CECDHN C[C@@H](CC(=O)N(C)C)NCc1ccc(N2CCCC2)cc1 ZINC000177975006 261373155 /nfs/dbraw/zinc/37/31/55/261373155.db2.gz LTASMXYYHVYKBV-AWEZNQCLSA-N 0 3 289.423 2.243 20 10 CECDHN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000185220115 262046434 /nfs/dbraw/zinc/04/64/34/262046434.db2.gz NDLZYQDUEIZHKD-GHMZBOCLSA-N 0 3 251.326 2.070 20 10 CECDHN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(F)ccc1[O-] ZINC000185639576 262063652 /nfs/dbraw/zinc/06/36/52/262063652.db2.gz MEQISNCSZHHUNA-ZANVPECISA-N 0 3 271.357 2.050 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)c([O-])c1 ZINC000186540808 262098281 /nfs/dbraw/zinc/09/82/81/262098281.db2.gz ZTOHUEWDQBRXIX-DINDLPBHSA-N 0 3 255.383 2.118 20 10 CECDHN COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000185467669 262305110 /nfs/dbraw/zinc/30/51/10/262305110.db2.gz QNZIWECOGNTLQQ-IUODEOHRSA-N 0 3 267.369 2.139 20 10 CECDHN Cc1ccc([C@@H](C)N[C@@H](C)C(=O)N(C)C)c(O)c1C ZINC000276918761 263038605 /nfs/dbraw/zinc/03/86/05/263038605.db2.gz QLXYHMLMZMNMHZ-NEPJUHHUSA-N 0 3 264.369 2.136 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCN2CCOCC2)c([O-])c1 ZINC000293829000 263150517 /nfs/dbraw/zinc/15/05/17/263150517.db2.gz SHUQZICHBSWBSP-HNNXBMFYSA-N 0 3 292.423 2.382 20 10 CECDHN CCOC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000188858704 264254472 /nfs/dbraw/zinc/25/44/72/264254472.db2.gz AXHAEENENKLKKJ-GFCCVEGCSA-N 0 3 281.352 2.272 20 10 CECDHN FC(F)Oc1ccc(N2CCC(NC3COC3)CC2)cc1 ZINC000361202441 266801445 /nfs/dbraw/zinc/80/14/45/266801445.db2.gz HLTABQWCSNEBHR-UHFFFAOYSA-N 0 3 298.333 2.245 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000367668367 267107381 /nfs/dbraw/zinc/10/73/81/267107381.db2.gz HMWYWGOUOLXXLY-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCNC(=O)C[C@@H]1C ZINC000367668367 267107383 /nfs/dbraw/zinc/10/73/83/267107383.db2.gz HMWYWGOUOLXXLY-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000369930736 267276946 /nfs/dbraw/zinc/27/69/46/267276946.db2.gz OOQCIIUEZZYISJ-AWEZNQCLSA-N 0 3 288.391 2.445 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371310497 267386342 /nfs/dbraw/zinc/38/63/42/267386342.db2.gz LIQCONOOWRFZQO-GXTWGEPZSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371310497 267386344 /nfs/dbraw/zinc/38/63/44/267386344.db2.gz LIQCONOOWRFZQO-GXTWGEPZSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371310500 267386819 /nfs/dbraw/zinc/38/68/19/267386819.db2.gz LIQCONOOWRFZQO-TZMCWYRMSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1[O-] ZINC000371310500 267386825 /nfs/dbraw/zinc/38/68/25/267386825.db2.gz LIQCONOOWRFZQO-TZMCWYRMSA-N 0 3 277.364 2.259 20 10 CECDHN CN1CCC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000293617485 277086739 /nfs/dbraw/zinc/08/67/39/277086739.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 0 3 260.381 2.310 20 10 CECDHN CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000293617485 277086740 /nfs/dbraw/zinc/08/67/40/277086740.db2.gz KMHMZXZMJLCGBO-INIZCTEOSA-N 0 3 260.381 2.310 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN2CCCC2=O)c1 ZINC000037782914 280920846 /nfs/dbraw/zinc/92/08/46/280920846.db2.gz XPBWAIIYNGMFKI-STQMWFEESA-N 0 3 276.380 2.362 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000237048921 328004202 /nfs/dbraw/zinc/00/42/02/328004202.db2.gz KBVLOZVEFKSHHJ-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN CCOc1cccc(C[N@H+](CC)CCC(=O)OC)c1[O-] ZINC000092380088 327193439 /nfs/dbraw/zinc/19/34/39/327193439.db2.gz HPEOPDOYBDVTHU-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN CCOc1cccc(C[N@@H+](CC)CCC(=O)OC)c1[O-] ZINC000092380088 327193441 /nfs/dbraw/zinc/19/34/41/327193441.db2.gz HPEOPDOYBDVTHU-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000294777111 327563693 /nfs/dbraw/zinc/56/36/93/327563693.db2.gz KRZTUVBABOQEQE-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000228671113 329059071 /nfs/dbraw/zinc/05/90/71/329059071.db2.gz DSTBXGCVRJVSCV-JTQLQIEISA-N 0 3 295.770 2.429 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1cc(F)ccc1[O-] ZINC000186115719 329338035 /nfs/dbraw/zinc/33/80/35/329338035.db2.gz SMNYHSQUKUCIBW-BXKDBHETSA-N 0 3 275.327 2.463 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000224543383 333222324 /nfs/dbraw/zinc/22/23/24/333222324.db2.gz IYDYLPIRXCNAFK-GJZGRUSLSA-N 0 3 260.381 2.417 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccsc2)c1 ZINC000224858706 333226740 /nfs/dbraw/zinc/22/67/40/333226740.db2.gz MFMNRSGEMFCTTK-CQSZACIVSA-N 0 3 279.361 2.286 20 10 CECDHN CCN(C)C(=O)[C@@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000188502380 520202074 /nfs/dbraw/zinc/20/20/74/520202074.db2.gz BRYGQEDPEXJTRT-QWHCGFSZSA-N 0 3 277.412 2.270 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(OC)ccc2[O-])C1 ZINC000280851602 521140744 /nfs/dbraw/zinc/14/07/44/521140744.db2.gz ZOCQNQBXUDUPSD-YPMHNXCESA-N 0 3 293.363 2.222 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000293001624 521151667 /nfs/dbraw/zinc/15/16/67/521151667.db2.gz NBNXEQPXOYDBPE-MLGOLLRUSA-N 0 3 279.380 2.432 20 10 CECDHN CCC(O)(CC)CC[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000276413671 521651595 /nfs/dbraw/zinc/65/15/95/521651595.db2.gz PVGZHZJIZSNQBT-UHFFFAOYSA-N 0 3 297.395 2.440 20 10 CECDHN COC[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCCO1 ZINC000278757343 522365968 /nfs/dbraw/zinc/36/59/68/522365968.db2.gz WZOCXDAUIKYBJL-HZPDHXFCSA-N 0 3 278.396 2.036 20 10 CECDHN CC[C@H]([NH2+]C[C@@]1(O)CCO[C@@H]1C)c1ccc(C)cc1[O-] ZINC000280277970 522625176 /nfs/dbraw/zinc/62/51/76/522625176.db2.gz YGPSQPAXCNQPHK-INWMFGNUSA-N 0 3 279.380 2.281 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)CCOC)c1ccc(C)cc1[O-] ZINC000280251825 522833623 /nfs/dbraw/zinc/83/36/23/522833623.db2.gz WREKQGVUEOOAST-OAHLLOKOSA-N 0 3 280.412 2.320 20 10 CECDHN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[O-] ZINC000128143419 522845291 /nfs/dbraw/zinc/84/52/91/522845291.db2.gz KJSXDSZYMCUBFO-CQSZACIVSA-N 0 3 259.353 2.409 20 10 CECDHN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000087013367 523511336 /nfs/dbraw/zinc/51/13/36/523511336.db2.gz VHUVSCCVBZKAMQ-YGRLFVJLSA-N 0 3 253.342 2.212 20 10 CECDHN CC[C@@](C)(CO)[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228677156 523646297 /nfs/dbraw/zinc/64/62/97/523646297.db2.gz XOWTYMKPWOQTJC-ZDUSSCGKSA-N 0 3 273.760 2.305 20 10 CECDHN CO[C@H](C)[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000269057623 523899244 /nfs/dbraw/zinc/89/92/44/523899244.db2.gz WYMMUZPULDSVRQ-WDEREUQCSA-N 0 3 254.349 2.405 20 10 CECDHN Cc1cccc(CN2C[C@H](C)OC3(CCOCC3)C2)c1O ZINC000280482275 524410429 /nfs/dbraw/zinc/41/04/29/524410429.db2.gz ODGXSGJWSYTYRF-AWEZNQCLSA-N 0 3 291.391 2.471 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290036107 524766804 /nfs/dbraw/zinc/76/68/04/524766804.db2.gz DEIUVXCYWVSRCT-MXWKQRLJSA-N 0 3 253.342 2.475 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CC(C)(C)OCCO)c1[O-] ZINC000290125747 524869354 /nfs/dbraw/zinc/86/93/54/524869354.db2.gz JEVWJIJKCXIHKD-UHFFFAOYSA-N 0 3 287.787 2.231 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000290154509 525348357 /nfs/dbraw/zinc/34/83/57/525348357.db2.gz PIQOINWGIKQFJM-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000290154516 525350910 /nfs/dbraw/zinc/35/09/10/525350910.db2.gz PIQOINWGIKQFJM-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN COc1cccc(C[NH2+]CCCOC[C@@H]2CCCO2)c1[O-] ZINC000020146694 526014526 /nfs/dbraw/zinc/01/45/26/526014526.db2.gz IJRLXLZQPSSXBC-AWEZNQCLSA-N 0 3 295.379 2.076 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCOc1ccccc1)OCO2 ZINC000042894668 526336712 /nfs/dbraw/zinc/33/67/12/526336712.db2.gz BNLNGMXYDCYHFY-UHFFFAOYSA-N 0 3 287.315 2.290 20 10 CECDHN CCCN(CC(=O)N(C)CC)Cc1ccccc1O ZINC000727830519 574456897 /nfs/dbraw/zinc/45/68/97/574456897.db2.gz AATYRLRUQFTIKP-UHFFFAOYSA-N 0 3 264.369 2.083 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)Cn1ccnc1C ZINC000729681232 574490709 /nfs/dbraw/zinc/49/07/09/574490709.db2.gz KKHQJVPSAKZPGK-LBPRGKRZSA-N 0 3 289.379 2.332 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)C[NH+]1CCCCC1 ZINC000731870624 574604578 /nfs/dbraw/zinc/60/45/78/574604578.db2.gz LAOBVFBADVRWIR-NSHDSACASA-N 0 3 282.409 2.306 20 10 CECDHN O=C(NCCC[NH+]1CCCCC1)c1cc([O-])cs1 ZINC000732258833 574616202 /nfs/dbraw/zinc/61/62/02/574616202.db2.gz XTTKNFHQSCDOCW-UHFFFAOYSA-N 0 3 268.382 2.060 20 10 CECDHN CCOc1ccc(O)c(CNC[C@@H](OC)C(F)(F)F)c1 ZINC000733329617 574664687 /nfs/dbraw/zinc/66/46/87/574664687.db2.gz HXVBPRWMOIGZGV-GFCCVEGCSA-N 0 3 293.285 2.458 20 10 CECDHN CCNC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613235 574682895 /nfs/dbraw/zinc/68/28/95/574682895.db2.gz GGJYHUCTABGDMB-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN CCNC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613235 574682897 /nfs/dbraw/zinc/68/28/97/574682897.db2.gz GGJYHUCTABGDMB-UHFFFAOYSA-N 0 3 276.380 2.273 20 10 CECDHN O=C(c1cc([O-])cs1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000733806345 574687279 /nfs/dbraw/zinc/68/72/79/574687279.db2.gz ZGVZHPVXMJWJGG-NSHDSACASA-N 0 3 280.393 2.154 20 10 CECDHN O=C(C1=CC(=O)CS1)N1CCC[C@H](N2CCCC2)C1 ZINC000733806345 574687280 /nfs/dbraw/zinc/68/72/80/574687280.db2.gz ZGVZHPVXMJWJGG-NSHDSACASA-N 0 3 280.393 2.154 20 10 CECDHN CCN(C)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000741753882 574996310 /nfs/dbraw/zinc/99/63/10/574996310.db2.gz DJZWKKYCFPVYHP-UHFFFAOYSA-N 0 3 262.397 2.347 20 10 CECDHN CC(=O)N1CCC([NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000742217067 575010981 /nfs/dbraw/zinc/01/09/81/575010981.db2.gz GPAXARNVIDNULU-UHFFFAOYSA-N 0 3 276.380 2.110 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@](C)(O)c2ccco2)c([O-])c1 ZINC000742375771 575018138 /nfs/dbraw/zinc/01/81/38/575018138.db2.gz VVYPBHATWNOSKE-MRXNPFEDSA-N 0 3 291.347 2.381 20 10 CECDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000743499640 575105637 /nfs/dbraw/zinc/10/56/37/575105637.db2.gz LKMNZKXEPWSJTC-WCQYABFASA-N 0 3 267.369 2.288 20 10 CECDHN C[C@H](Cc1ccncc1)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000749294321 575212856 /nfs/dbraw/zinc/21/28/56/575212856.db2.gz GIZOZBAVDJLIFM-LLVKDONJSA-N 0 3 286.331 2.237 20 10 CECDHN COC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000751950143 575302458 /nfs/dbraw/zinc/30/24/58/575302458.db2.gz PMLWEMGCAXHVPR-HNNXBMFYSA-N 0 3 261.365 2.492 20 10 CECDHN COC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000751950143 575302459 /nfs/dbraw/zinc/30/24/59/575302459.db2.gz PMLWEMGCAXHVPR-HNNXBMFYSA-N 0 3 261.365 2.492 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cn(C)nc2C)c1 ZINC000125532452 649936550 /nfs/dbraw/zinc/93/65/50/649936550.db2.gz RQCUOKAARUADGO-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN CC(=O)NCC[N@@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000308194741 623611810 /nfs/dbraw/zinc/61/18/10/623611810.db2.gz QCBADFOUYREDPH-UHFFFAOYSA-N 0 3 272.348 2.113 20 10 CECDHN CC(=O)NCC[N@H+](C)Cc1c([O-])ccc2ccccc21 ZINC000308194741 623611813 /nfs/dbraw/zinc/61/18/13/623611813.db2.gz QCBADFOUYREDPH-UHFFFAOYSA-N 0 3 272.348 2.113 20 10 CECDHN OCc1cnccc1NCc1ccc(N2CCCC2)cc1 ZINC000891796165 623975928 /nfs/dbraw/zinc/97/59/28/623975928.db2.gz JHMSQYZQMXUCRL-UHFFFAOYSA-N 0 3 283.375 2.208 20 10 CECDHN Cc1ccc(CNCc2cc3c(cc2O)OCO3)nc1C ZINC000314343348 627914890 /nfs/dbraw/zinc/91/48/90/627914890.db2.gz VHBYYWAMWAXBPW-UHFFFAOYSA-N 0 3 286.331 2.423 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CCOCC1 ZINC000180134900 628072818 /nfs/dbraw/zinc/07/28/18/628072818.db2.gz QDPZOPXYCWKOBJ-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CCOCC1 ZINC000180134900 628072823 /nfs/dbraw/zinc/07/28/23/628072823.db2.gz QDPZOPXYCWKOBJ-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c([O-])c1 ZINC000185778005 628239116 /nfs/dbraw/zinc/23/91/16/628239116.db2.gz VTLQAJOYQAJSDL-XJKSGUPXSA-N 0 3 279.380 2.140 20 10 CECDHN Cc1ccncc1CNCc1cc2c(cc1O)OCO2 ZINC000162641569 628451904 /nfs/dbraw/zinc/45/19/04/628451904.db2.gz QHIDSSGNOFUDBX-UHFFFAOYSA-N 0 3 272.304 2.114 20 10 CECDHN CC[C@H]([NH2+]C[C@](C)(O)COC)c1ccc(C)cc1[O-] ZINC000794811362 629326354 /nfs/dbraw/zinc/32/63/54/629326354.db2.gz WZQHTSCGJKKEGB-ZFWWWQNUSA-N 0 3 267.369 2.139 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CCC(O)CC2)cc1 ZINC000142239373 629986677 /nfs/dbraw/zinc/98/66/77/629986677.db2.gz BRDGMSZMLGXIQW-ARJAWSKDSA-N 0 3 260.381 2.223 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1c(C)cccc1[O-])C2 ZINC000895584709 630260302 /nfs/dbraw/zinc/26/03/02/630260302.db2.gz ZQBRRTAJLYPINQ-GUYCJALGSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1c(C)cccc1[O-])C2 ZINC000895584709 630260304 /nfs/dbraw/zinc/26/03/04/630260304.db2.gz ZQBRRTAJLYPINQ-GUYCJALGSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000896126435 630474609 /nfs/dbraw/zinc/47/46/09/630474609.db2.gz OOLANSMNNZJLAG-YPMHNXCESA-N 0 3 263.337 2.132 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](OCC)C2)c([O-])c1 ZINC000897067961 630915300 /nfs/dbraw/zinc/91/53/00/630915300.db2.gz GEWPIHCHXVFASC-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](OCC)C2)c([O-])c1 ZINC000897067961 630915302 /nfs/dbraw/zinc/91/53/02/630915302.db2.gz GEWPIHCHXVFASC-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CC)[C@@H](C)O)c([O-])c1 ZINC000824921746 635526216 /nfs/dbraw/zinc/52/62/16/635526216.db2.gz PQVHBLCLROEXSJ-MFKMUULPSA-N 0 3 253.342 2.040 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCN(C)C)c2c1c(F)ccc2[O-] ZINC000806171462 631724798 /nfs/dbraw/zinc/72/47/98/631724798.db2.gz JMXXIMDYWSHNHI-MWLCHTKSSA-N 0 3 252.333 2.231 20 10 CECDHN CC[C@H]([NH2+][C@@H](CCSC)C(=O)NC)c1ccccc1[O-] ZINC000806664067 631763994 /nfs/dbraw/zinc/76/39/94/631763994.db2.gz ZGMVMCZOIBUHFY-STQMWFEESA-N 0 3 296.436 2.301 20 10 CECDHN C[C@@]1(NCc2ccc(N3CCCCC3)cc2)CCNC1=O ZINC000897874620 631955711 /nfs/dbraw/zinc/95/57/11/631955711.db2.gz XWXSILZQIHAYSL-QGZVFWFLSA-N 0 3 287.407 2.045 20 10 CECDHN COC(=O)C[C@H]([NH2+]Cc1ccccc1[O-])C(C)(C)C ZINC000897888484 631962454 /nfs/dbraw/zinc/96/24/54/631962454.db2.gz CEDOIUQQIWLMQV-ZDUSSCGKSA-N 0 3 265.353 2.460 20 10 CECDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808718545 632005345 /nfs/dbraw/zinc/00/53/45/632005345.db2.gz NRIMWCRNCKAJRQ-MWLCHTKSSA-N 0 3 273.760 2.012 20 10 CECDHN CN(C)c1cc(F)c(CNCC[C@@H](O)C2CC2)cc1F ZINC000898199054 632112253 /nfs/dbraw/zinc/11/22/53/632112253.db2.gz JLSYCWCAORLGJM-OAHLLOKOSA-N 0 3 284.350 2.281 20 10 CECDHN CC(C)OC[C@H](CO)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000809768073 632143042 /nfs/dbraw/zinc/14/30/42/632143042.db2.gz BMXCXXHRUSPZRY-AWEZNQCLSA-N 0 3 298.402 2.109 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809778409 632144764 /nfs/dbraw/zinc/14/47/64/632144764.db2.gz OZRIVNPSWUTLHX-CYBMUJFWSA-N 0 3 294.370 2.270 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000809778409 632144771 /nfs/dbraw/zinc/14/47/71/632144771.db2.gz OZRIVNPSWUTLHX-CYBMUJFWSA-N 0 3 294.370 2.270 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@H](CO)C2)c2c1c(F)ccc2[O-] ZINC000927147016 632594757 /nfs/dbraw/zinc/59/47/57/632594757.db2.gz IKSAVTGBIUBVEL-QFOLPQNPSA-N 0 3 265.328 2.440 20 10 CECDHN CC(=O)N[C@H]1CCCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815018653 632950612 /nfs/dbraw/zinc/95/06/12/632950612.db2.gz WZWOCJKWNAPREH-INIZCTEOSA-N 0 3 289.423 2.162 20 10 CECDHN CCN(C)c1ccc(CN(CCOC)[C@@H]2CCOC2)cc1 ZINC000815104523 632960594 /nfs/dbraw/zinc/96/05/94/632960594.db2.gz MTPJBEVTSVPZRL-QGZVFWFLSA-N 0 3 292.423 2.380 20 10 CECDHN NC(=O)C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000815153182 632973584 /nfs/dbraw/zinc/97/35/84/632973584.db2.gz DHAQQSHJZFUAIX-CQSZACIVSA-N 0 3 270.332 2.099 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2COC)c([O-])c1 ZINC000816637287 633454362 /nfs/dbraw/zinc/45/43/62/633454362.db2.gz YXEOFIWWKAXDGJ-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H]2COC)c([O-])c1 ZINC000816637287 633454365 /nfs/dbraw/zinc/45/43/65/633454365.db2.gz YXEOFIWWKAXDGJ-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(CN2CC[C@@H]2COC)c(O)c1 ZINC000816637287 633454367 /nfs/dbraw/zinc/45/43/67/633454367.db2.gz YXEOFIWWKAXDGJ-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817415547 633654728 /nfs/dbraw/zinc/65/47/28/633654728.db2.gz YSUMLFDKGIUAFI-UHFFFAOYSA-N 0 3 253.317 2.316 20 10 CECDHN CON1CCC([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000817418805 633655863 /nfs/dbraw/zinc/65/58/63/633655863.db2.gz HHPZXLIPMPVCOO-UHFFFAOYSA-N 0 3 284.787 2.469 20 10 CECDHN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968863 633811680 /nfs/dbraw/zinc/81/16/80/633811680.db2.gz NWGKYYKKBWPDOQ-RVBZMBCESA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817968863 633811690 /nfs/dbraw/zinc/81/16/90/633811690.db2.gz NWGKYYKKBWPDOQ-RVBZMBCESA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971048 633814253 /nfs/dbraw/zinc/81/42/53/633814253.db2.gz JPAGBSNVOMMBRB-ZDMBXUJBSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@@H]([NH3+])CN[C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817973455 633816997 /nfs/dbraw/zinc/81/69/97/633816997.db2.gz UCMPBEUIHOOPHI-RNFRBKRXSA-N 0 3 291.164 2.292 20 10 CECDHN C[C@H](N[C@H]1CCCC[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817984680 633826463 /nfs/dbraw/zinc/82/64/63/633826463.db2.gz XHCDINJMQCJRCB-ONGXEEELSA-N 0 3 270.323 2.463 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCCNC1)c1cc(F)cc(F)c1[O-] ZINC000817984680 633826474 /nfs/dbraw/zinc/82/64/74/633826474.db2.gz XHCDINJMQCJRCB-ONGXEEELSA-N 0 3 270.323 2.463 20 10 CECDHN COc1ccc(O)c(CNCc2cncn2C(C)C)c1 ZINC000818187660 633879901 /nfs/dbraw/zinc/87/99/01/633879901.db2.gz PQCPUHLCRIZXMG-UHFFFAOYSA-N 0 3 275.352 2.468 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN2C)c2c1c(F)ccc2[O-] ZINC000903317401 635064238 /nfs/dbraw/zinc/06/42/38/635064238.db2.gz KGGHHEVWHDIFNG-FOGDFJRCSA-N 0 3 264.344 2.373 20 10 CECDHN CN(C)c1ccc(CNCc2cc(N)ccn2)cc1F ZINC000903950015 635382295 /nfs/dbraw/zinc/38/22/95/635382295.db2.gz HEPVCPGNOWZGSR-UHFFFAOYSA-N 0 3 274.343 2.159 20 10 CECDHN COc1cccc(CNCc2cc(C3CC3)nn2C)c1O ZINC000824382630 635416444 /nfs/dbraw/zinc/41/64/44/635416444.db2.gz FTBRNURWCSHSII-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C1(CF)CCOCC1 ZINC000824690638 635477775 /nfs/dbraw/zinc/47/77/75/635477775.db2.gz JYIUCEZTNWHRNF-UHFFFAOYSA-N 0 3 257.280 2.140 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(CC)COC2)c([O-])c1 ZINC000825072126 635559542 /nfs/dbraw/zinc/55/95/42/635559542.db2.gz ARIPUTPRZIBLHO-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827017616 636190610 /nfs/dbraw/zinc/19/06/10/636190610.db2.gz GJOBHHXUXTUZNS-GASCZTMLSA-N 0 3 265.328 2.390 20 10 CECDHN C[C@@]12COC[C@]1(C)C[N@H+](Cc1cc(F)ccc1[O-])C2 ZINC000827017616 636190612 /nfs/dbraw/zinc/19/06/12/636190612.db2.gz GJOBHHXUXTUZNS-GASCZTMLSA-N 0 3 265.328 2.390 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@H]2COCCO2)cc1 ZINC000827336118 636297837 /nfs/dbraw/zinc/29/78/37/636297837.db2.gz AIHMRCBCNLCMRU-KRWDZBQOSA-N 0 3 292.423 2.380 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CNCCC[NH2+]C1CC1 ZINC000841091001 637754435 /nfs/dbraw/zinc/75/44/35/637754435.db2.gz RZGGEJRKNXGPDI-UHFFFAOYSA-N 0 3 272.751 2.416 20 10 CECDHN O=C(NCCC[NH2+][C@@H]1CCc2cccc([O-])c21)C1CCC1 ZINC000834675652 637915236 /nfs/dbraw/zinc/91/52/36/637915236.db2.gz KNQHITIKHIUZRB-CQSZACIVSA-N 0 3 288.391 2.276 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CCO)C1CCOCC1)CC2 ZINC000834766371 637943982 /nfs/dbraw/zinc/94/39/82/637943982.db2.gz SVAOQUHTYRCTQC-CABCVRRESA-N 0 3 291.391 2.147 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CCO)C1CCOCC1)CC2 ZINC000834766374 637944163 /nfs/dbraw/zinc/94/41/63/637944163.db2.gz SVAOQUHTYRCTQC-GJZGRUSLSA-N 0 3 291.391 2.147 20 10 CECDHN NC(=O)Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cc1 ZINC000834803065 637955713 /nfs/dbraw/zinc/95/57/13/637955713.db2.gz JKNNHKRELKSTIH-OAHLLOKOSA-N 0 3 296.370 2.197 20 10 CECDHN CC[C@@H](N[C@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913053 637985822 /nfs/dbraw/zinc/98/58/22/637985822.db2.gz OESIEUYTTBTVGD-IUODEOHRSA-N 0 3 277.412 2.318 20 10 CECDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)CC)cc1)C(=O)NC ZINC000834913057 637987149 /nfs/dbraw/zinc/98/71/49/637987149.db2.gz OESIEUYTTBTVGD-SWLSCSKDSA-N 0 3 277.412 2.318 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000876679059 650395792 /nfs/dbraw/zinc/39/57/92/650395792.db2.gz BDBMAIKSDPIDGI-AWEZNQCLSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@H](C3OCCO3)C2)c([O-])c1 ZINC000876679059 650395796 /nfs/dbraw/zinc/39/57/96/650395796.db2.gz BDBMAIKSDPIDGI-AWEZNQCLSA-N 0 3 277.364 2.286 20 10 CECDHN CNC(=O)c1ccc(C[NH2+]Cc2cc(F)ccc2[O-])cc1 ZINC000226584401 639554882 /nfs/dbraw/zinc/55/48/82/639554882.db2.gz BLXVXZLKHKGZPF-UHFFFAOYSA-N 0 3 288.322 2.181 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000226610544 639555678 /nfs/dbraw/zinc/55/56/78/639555678.db2.gz IJVDEINIRJSCSD-CYBMUJFWSA-N 0 3 267.325 2.416 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CCc2cn[nH]c2C1 ZINC000840917846 639585890 /nfs/dbraw/zinc/58/58/90/639585890.db2.gz OHCFTKUJPQQPRR-UHFFFAOYSA-N 0 3 270.380 2.342 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H]1CC(=O)N(C(C)C)C1 ZINC000840934160 639591273 /nfs/dbraw/zinc/59/12/73/639591273.db2.gz MXRCVXYPQFVLKO-HNNXBMFYSA-N 0 3 289.423 2.160 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1[O-] ZINC000840963883 639602490 /nfs/dbraw/zinc/60/24/90/639602490.db2.gz RIQQJUNWWFLXEN-BXUZGUMPSA-N 0 3 299.798 2.231 20 10 CECDHN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000840978546 639607611 /nfs/dbraw/zinc/60/76/11/639607611.db2.gz OIMYYEWHCWHKJV-MNOVXSKESA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000840978546 639607613 /nfs/dbraw/zinc/60/76/13/639607613.db2.gz OIMYYEWHCWHKJV-MNOVXSKESA-N 0 3 253.317 2.124 20 10 CECDHN CCC[NH2+]CCNCc1c([O-])cc(C)cc1Cl ZINC000841046579 639631137 /nfs/dbraw/zinc/63/11/37/639631137.db2.gz IBXNMRCLMPLLMV-UHFFFAOYSA-N 0 3 256.777 2.443 20 10 CECDHN [NH3+]CC[C@H](NCc1cc(Cl)ccc1[O-])C(F)(F)F ZINC000841090912 639653976 /nfs/dbraw/zinc/65/39/76/639653976.db2.gz QKIUYNLWBYGHJL-JTQLQIEISA-N 0 3 282.693 2.415 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1CNCCC[NH2+]C1CC1 ZINC000841094357 639655711 /nfs/dbraw/zinc/65/57/11/639655711.db2.gz XDTDDMNVZUMCHA-UHFFFAOYSA-N 0 3 272.751 2.416 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+]CCCNC1CC1 ZINC000841094357 639655715 /nfs/dbraw/zinc/65/57/15/639655715.db2.gz XDTDDMNVZUMCHA-UHFFFAOYSA-N 0 3 272.751 2.416 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105464 639679554 /nfs/dbraw/zinc/67/95/54/639679554.db2.gz PALZZXVJDFNHIU-CQSZACIVSA-N 0 3 266.772 2.374 20 10 CECDHN CCN(CCC[NH+](CC)CC)C(=O)c1cccc(O)c1[O-] ZINC000230717426 639782703 /nfs/dbraw/zinc/78/27/03/639782703.db2.gz KZKIIBWXUDBXOF-UHFFFAOYSA-N 0 3 294.395 2.292 20 10 CECDHN Cc1ccc(C[NH2+]CC2(C(=O)N(C)C)CCCC2)c([O-])c1 ZINC000877029791 650538276 /nfs/dbraw/zinc/53/82/76/650538276.db2.gz NKBVICOXKWNFOP-UHFFFAOYSA-N 0 3 290.407 2.439 20 10 CECDHN Cc1ccc(CNCCS(=O)(=O)C(C)(C)C)c(O)c1 ZINC000877036861 650542134 /nfs/dbraw/zinc/54/21/34/650542134.db2.gz TXBLDMQQQMCMQU-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN CC[N@H+](CCSC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000842647537 640133887 /nfs/dbraw/zinc/13/38/87/640133887.db2.gz ZOBGZBABPGVJCX-CYBMUJFWSA-N 0 3 283.393 2.003 20 10 CECDHN CC[N@@H+](CCSC)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000842647537 640133891 /nfs/dbraw/zinc/13/38/91/640133891.db2.gz ZOBGZBABPGVJCX-CYBMUJFWSA-N 0 3 283.393 2.003 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCS[C@H]1C ZINC000842779916 640180930 /nfs/dbraw/zinc/18/09/30/640180930.db2.gz SUPGQCLCSWXSHT-ONGXEEELSA-N 0 3 253.367 2.384 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000842913309 640220345 /nfs/dbraw/zinc/22/03/45/640220345.db2.gz ZHLNGEOQCZQKJO-IHXVIFPJSA-N 0 3 281.327 2.083 20 10 CECDHN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000842911883 640220354 /nfs/dbraw/zinc/22/03/54/640220354.db2.gz OCJPZGZVZCVYSX-OASPWFOLSA-N 0 3 285.771 2.418 20 10 CECDHN [O-]c1c(F)cccc1CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000843124366 640291308 /nfs/dbraw/zinc/29/13/08/640291308.db2.gz ZGVHCKXPCILRPE-HNNXBMFYSA-N 0 3 264.344 2.107 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124930 640291318 /nfs/dbraw/zinc/29/13/18/640291318.db2.gz QARHSWVYWUCPIF-JTQLQIEISA-N 0 3 276.714 2.085 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846074162 641175061 /nfs/dbraw/zinc/17/50/61/641175061.db2.gz VWWYEMVHNMTFSA-SWLSCSKDSA-N 0 3 288.391 2.444 20 10 CECDHN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1ccccc1[O-] ZINC000846108095 641184484 /nfs/dbraw/zinc/18/44/84/641184484.db2.gz NPHXQRLHHWLFMW-CQSZACIVSA-N 0 3 284.359 2.258 20 10 CECDHN COc1cccc([C@H](C)NCC(=O)NC2CCCC2)c1O ZINC000846150268 641203489 /nfs/dbraw/zinc/20/34/89/641203489.db2.gz COXFQHXPYCZPTG-NSHDSACASA-N 0 3 292.379 2.110 20 10 CECDHN CO[C@](C)(CO)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000848558282 642051939 /nfs/dbraw/zinc/05/19/39/642051939.db2.gz LCMZCQMGUZXLQE-VPJDZLOFSA-N 0 3 283.343 2.067 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000877477108 650739891 /nfs/dbraw/zinc/73/98/91/650739891.db2.gz XPELACDCQXLEEH-UHFFFAOYSA-N 0 3 298.390 2.249 20 10 CECDHN COc1ccc(N2CC[C@@H](NCc3n[nH]cc3C)C2)cc1 ZINC000850345973 642675338 /nfs/dbraw/zinc/67/53/38/642675338.db2.gz AXNSWBPKTWTNGZ-CYBMUJFWSA-N 0 3 286.379 2.095 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877591550 650804172 /nfs/dbraw/zinc/80/41/72/650804172.db2.gz FSQFAUDJUUFDOO-INIZCTEOSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877591550 650804174 /nfs/dbraw/zinc/80/41/74/650804174.db2.gz FSQFAUDJUUFDOO-INIZCTEOSA-N 0 3 277.364 2.476 20 10 CECDHN C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1[O-] ZINC000922329257 643030250 /nfs/dbraw/zinc/03/02/50/643030250.db2.gz MPNLVZXWFOVPFC-LLVKDONJSA-N 0 3 271.364 2.465 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C(C)(C)C)C2)c([O-])c1 ZINC000877636498 650827795 /nfs/dbraw/zinc/82/77/95/650827795.db2.gz YTQZSIBNMSYXRO-ZDUSSCGKSA-N 0 3 290.407 2.437 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000877638727 650829665 /nfs/dbraw/zinc/82/96/65/650829665.db2.gz MILPISTTWGISJC-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H](CN3CCCC3=O)C2)c([O-])c1 ZINC000877638727 650829666 /nfs/dbraw/zinc/82/96/66/650829666.db2.gz MILPISTTWGISJC-CQSZACIVSA-N 0 3 288.391 2.145 20 10 CECDHN OC[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1C(F)(F)F ZINC000877693961 650855043 /nfs/dbraw/zinc/85/50/43/650855043.db2.gz WBAKXSLTXPFPEH-GXSJLCMTSA-N 0 3 293.260 2.134 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000877755949 650899159 /nfs/dbraw/zinc/89/91/59/650899159.db2.gz URGYJYUCXKWVKR-FRRDWIJNSA-N 0 3 297.420 2.399 20 10 CECDHN Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855287409 644295558 /nfs/dbraw/zinc/29/55/58/644295558.db2.gz BYLMAKPMGJUKSG-LLVKDONJSA-N 0 3 292.379 2.009 20 10 CECDHN Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c([O-])c1O ZINC000855287409 644295560 /nfs/dbraw/zinc/29/55/60/644295560.db2.gz BYLMAKPMGJUKSG-LLVKDONJSA-N 0 3 292.379 2.009 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CO)CC2CC2)c([O-])c1 ZINC000754833856 644437804 /nfs/dbraw/zinc/43/78/04/644437804.db2.gz LYTIUGOKDKTNHX-ZDUSSCGKSA-N 0 3 265.353 2.042 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1cnc(C2CC2)nc1 ZINC000756034543 644596378 /nfs/dbraw/zinc/59/63/78/644596378.db2.gz QNVVKPUJLYCTJT-UHFFFAOYSA-N 0 3 299.374 2.401 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)c([O-])c1 ZINC000756489034 644654459 /nfs/dbraw/zinc/65/44/59/644654459.db2.gz OJJUOUMMLJBICW-NWDGAFQWSA-N 0 3 260.341 2.031 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000756534695 644659740 /nfs/dbraw/zinc/65/97/40/644659740.db2.gz MXCDFYWCEONYFS-CKYFFXLPSA-N 0 3 264.344 2.373 20 10 CECDHN C[C@@H]([NH2+]CCNc1cnccn1)c1cc(F)ccc1[O-] ZINC000756647193 644678185 /nfs/dbraw/zinc/67/81/85/644678185.db2.gz QZVNZCDJKBVEAQ-SNVBAGLBSA-N 0 3 276.315 2.084 20 10 CECDHN COC[C@@](C)(CC(=O)OC)NCc1ccc(OC)c(C)c1 ZINC000757926800 644858173 /nfs/dbraw/zinc/85/81/73/644858173.db2.gz OTCRPUFEVXPALZ-MRXNPFEDSA-N 0 3 295.379 2.061 20 10 CECDHN CC[C@@](C)(O)CNCc1cc(F)c(N(C)C)cc1F ZINC000858131354 645070014 /nfs/dbraw/zinc/07/00/14/645070014.db2.gz SDHFBMUXQXDAES-CQSZACIVSA-N 0 3 272.339 2.281 20 10 CECDHN CN(C)c1cc(F)c(CN[C@H]2C[C@H](O)C23CCC3)cc1F ZINC000858191879 645085009 /nfs/dbraw/zinc/08/50/09/645085009.db2.gz DMUUFWCSVLDQGD-GJZGRUSLSA-N 0 3 296.361 2.424 20 10 CECDHN O=C1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C1CCC1 ZINC000858602581 645218127 /nfs/dbraw/zinc/21/81/27/645218127.db2.gz CTAJPFPKYVFTEU-KBPBESRZSA-N 0 3 286.375 2.123 20 10 CECDHN C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1ccccc1[O-] ZINC000763558445 645557508 /nfs/dbraw/zinc/55/75/08/645557508.db2.gz PNICNWADXJXHPG-WFASDCNBSA-N 0 3 279.380 2.220 20 10 CECDHN CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000859886590 645646909 /nfs/dbraw/zinc/64/69/09/645646909.db2.gz JYNRLMXVBZEOLD-GQIGUUNPSA-N 0 3 292.448 2.238 20 10 CECDHN CCC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768451031 646125045 /nfs/dbraw/zinc/12/50/45/646125045.db2.gz LLRITDQHUCUULT-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768451031 646125051 /nfs/dbraw/zinc/12/50/51/646125051.db2.gz LLRITDQHUCUULT-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN CC1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449688 646125620 /nfs/dbraw/zinc/12/56/20/646125620.db2.gz YJUXMVKRUDOCTI-AWEZNQCLSA-N 0 3 277.364 2.440 20 10 CECDHN CC1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768449688 646125623 /nfs/dbraw/zinc/12/56/23/646125623.db2.gz YJUXMVKRUDOCTI-AWEZNQCLSA-N 0 3 277.364 2.440 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769517204 646281629 /nfs/dbraw/zinc/28/16/29/646281629.db2.gz ZXLJKGMAUNJUFW-STQMWFEESA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000769517204 646281632 /nfs/dbraw/zinc/28/16/32/646281632.db2.gz ZXLJKGMAUNJUFW-STQMWFEESA-N 0 3 277.364 2.259 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCSC[C@@H]2CCO)c([O-])c1 ZINC000770307974 646378923 /nfs/dbraw/zinc/37/89/23/646378923.db2.gz WTJNRASQOZOEFH-ZDUSSCGKSA-N 0 3 297.420 2.091 20 10 CECDHN CCOc1ccc(C[N@H+]2CCSC[C@@H]2CCO)c([O-])c1 ZINC000770307974 646378931 /nfs/dbraw/zinc/37/89/31/646378931.db2.gz WTJNRASQOZOEFH-ZDUSSCGKSA-N 0 3 297.420 2.091 20 10 CECDHN CN(C)c1cc(F)c(CN(C)CC2CN(C)C2)cc1F ZINC000862412762 646448137 /nfs/dbraw/zinc/44/81/37/646448137.db2.gz ALWZODJGHQUUPA-UHFFFAOYSA-N 0 3 283.366 2.024 20 10 CECDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1[O-] ZINC000863546260 646753534 /nfs/dbraw/zinc/75/35/34/646753534.db2.gz HUECUMZNBUBRSH-ZWKOPEQDSA-N 0 3 252.333 2.322 20 10 CECDHN CCN(CC[NH3+])Cc1cc(C)cc(Br)c1[O-] ZINC000863644510 646776437 /nfs/dbraw/zinc/77/64/37/646776437.db2.gz YRPLANMCCPNSDE-UHFFFAOYSA-N 0 3 287.201 2.244 20 10 CECDHN CCN(C)c1ccc(CN(C)CCNC(=O)C(C)C)cc1 ZINC000773826047 646778310 /nfs/dbraw/zinc/77/83/10/646778310.db2.gz YNXWFSMOEULFRE-UHFFFAOYSA-N 0 3 291.439 2.347 20 10 CECDHN CCC(CC)NC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000864465278 647019632 /nfs/dbraw/zinc/01/96/32/647019632.db2.gz SLHASPHOPXQNCL-UHFFFAOYSA-N 0 3 265.357 2.203 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000865690540 647423831 /nfs/dbraw/zinc/42/38/31/647423831.db2.gz IGEQTWHKFLMWPM-JFGNBEQYSA-N 0 3 251.326 2.056 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](SC)C1 ZINC000865734088 647444842 /nfs/dbraw/zinc/44/48/42/647444842.db2.gz IARAIIIXHPOTPP-MGCOHNPYSA-N 0 3 253.367 2.384 20 10 CECDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1c([O-])cccc1OC ZINC000865871334 647513497 /nfs/dbraw/zinc/51/34/97/647513497.db2.gz BPVSKBJSCQSOGO-WDEREUQCSA-N 0 3 253.342 2.040 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000866254406 647698042 /nfs/dbraw/zinc/69/80/42/647698042.db2.gz YCZKZSRIQGFJSF-QEJZJMRPSA-N 0 3 259.349 2.439 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1[O-] ZINC000783519999 647723850 /nfs/dbraw/zinc/72/38/50/647723850.db2.gz OFKYTAASNHPGRR-OLZOCXBDSA-N 0 3 275.348 2.487 20 10 CECDHN C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(O)c1[O-] ZINC000790668900 648439819 /nfs/dbraw/zinc/43/98/19/648439819.db2.gz OSBZCCDLPRHDPP-VXGBXAGGSA-N 0 3 292.379 2.091 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F)C(=O)N(C)C ZINC000790743648 648443943 /nfs/dbraw/zinc/44/39/43/648443943.db2.gz YHBUYEVPZBZECC-ATZCPNFKSA-N 0 3 280.343 2.146 20 10 CECDHN CCOc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c([O-])c1 ZINC000793253844 648732139 /nfs/dbraw/zinc/73/21/39/648732139.db2.gz FHIDSTAZRZXYGT-ZDUSSCGKSA-N 0 3 277.364 2.259 20 10 CECDHN C[C@H]([NH2+]CCC[C@@H]1CCOC1=O)c1ccccc1[O-] ZINC000872117921 649283066 /nfs/dbraw/zinc/28/30/66/649283066.db2.gz TUQPJSLQIUSUMP-NWDGAFQWSA-N 0 3 263.337 2.386 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H]2CCOC[C@H]2O)c1[O-] ZINC000872140618 649289658 /nfs/dbraw/zinc/28/96/58/649289658.db2.gz UDZVIXJUNJLKSM-OASPWFOLSA-N 0 3 285.771 2.154 20 10 CECDHN CN(C)c1ccc(CN(C)[C@@H]2CCCCN(C)C2=O)cc1 ZINC000872265453 649333716 /nfs/dbraw/zinc/33/37/16/649333716.db2.gz HVNZOQCNGDSQMQ-MRXNPFEDSA-N 0 3 289.423 2.195 20 10 CECDHN COc1cc(O)c(CN2CCC(C(C)=O)CC2)cc1OC ZINC000872800041 649492148 /nfs/dbraw/zinc/49/21/48/649492148.db2.gz QBZWRRPZNKRVEJ-UHFFFAOYSA-N 0 3 293.363 2.210 20 10 CECDHN CCCOc1ccc(CN[C@H]2CCCN(C)C2=O)cc1C ZINC000873071101 649551001 /nfs/dbraw/zinc/55/10/01/649551001.db2.gz JEWNUYPNBRVLQO-HNNXBMFYSA-N 0 3 290.407 2.494 20 10 CECDHN CCOc1ccc(C[NH2+]CCC[C@@H]2CCOC2=O)c([O-])c1 ZINC000873161633 649575530 /nfs/dbraw/zinc/57/55/30/649575530.db2.gz AMTWVUMAHWGPJK-GFCCVEGCSA-N 0 3 293.363 2.224 20 10 CECDHN [O-]c1ccc(Br)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215900 649593392 /nfs/dbraw/zinc/59/33/92/649593392.db2.gz GPIDEOCWJKYGIX-TXEJJXNPSA-N 0 3 297.196 2.091 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)N1CCC[C@H]1C)c1ccccc1[O-] ZINC000879648370 651335003 /nfs/dbraw/zinc/33/50/03/651335003.db2.gz LRBDUODBTUNGSJ-CHWSQXEVSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCC[C@@H](C)C1)c1ccccc1[O-] ZINC000879648103 651335009 /nfs/dbraw/zinc/33/50/09/651335009.db2.gz YMUBGQLQYIXVEP-CHWSQXEVSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@H]([NH2+]CC(=O)NC1CCCCC1)c1ccccc1[O-] ZINC000879651925 651336103 /nfs/dbraw/zinc/33/61/03/651336103.db2.gz PKWXUYWRRIPHTF-LBPRGKRZSA-N 0 3 276.380 2.492 20 10 CECDHN C[NH2+][C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128321122 651417010 /nfs/dbraw/zinc/41/70/10/651417010.db2.gz IYWLRWRXAJPHRV-SNVBAGLBSA-N 0 3 254.761 2.229 20 10 CECDHN C[C@@H]1CN(Cc2cc(Br)ccc2[O-])C[C@@H](C)[NH2+]1 ZINC000212466867 652170085 /nfs/dbraw/zinc/17/00/85/652170085.db2.gz QDWNCWOOKKQAAM-NXEZZACHSA-N 0 3 299.212 2.337 20 10 CECDHN CN1CCCc2cc(CNCc3ccncc3N)ccc21 ZINC000882943045 652280752 /nfs/dbraw/zinc/28/07/52/652280752.db2.gz BUGDIPOHZNLGLS-UHFFFAOYSA-N 0 3 282.391 2.336 20 10 CECDHN C[C@@H](NC[C@H](C)O)c1ccc(N2CCOCC2)cc1Cl ZINC000131145027 652386337 /nfs/dbraw/zinc/38/63/37/652386337.db2.gz MCAAHHGIKMRZHN-NWDGAFQWSA-N 0 3 298.814 2.208 20 10 CECDHN C[NH2+]C[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000133024086 652586499 /nfs/dbraw/zinc/58/64/99/652586499.db2.gz MPGDRGUTAABVCN-GFCCVEGCSA-N 0 3 254.761 2.229 20 10 CECDHN C[NH2+]C[C@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000133027160 652586534 /nfs/dbraw/zinc/58/65/34/652586534.db2.gz YWMFUAICMHMNGK-SNVBAGLBSA-N 0 3 254.761 2.229 20 10 CECDHN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)S2(=O)=O)c1ccccc1[O-] ZINC000724348304 803088485 /nfs/dbraw/zinc/08/84/85/803088485.db2.gz ZTWIEYJCBRQHBZ-ODWCKFRGSA-N 0 3 295.404 2.151 20 10 CECDHN CC[C@H]([NH2+]CC[C@H](COC)OC)c1ccccc1[O-] ZINC000694313412 803530032 /nfs/dbraw/zinc/53/00/32/803530032.db2.gz UYEHGLVEJVXINH-OCCSQVGLSA-N 0 3 267.369 2.484 20 10 CECDHN CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000722344735 804327759 /nfs/dbraw/zinc/32/77/59/804327759.db2.gz CXZBUSSCMZOZGW-AAEUAGOBSA-N 0 3 262.353 2.054 20 10 CECDHN CC(C)(C(=O)N1Cc2cccc(O)c2C1)N1CCCCC1 ZINC000913726462 807518716 /nfs/dbraw/zinc/51/87/16/807518716.db2.gz POTBIVBYCXNTBG-UHFFFAOYSA-N 0 3 288.391 2.499 20 10 CECDHN CN1CC[C@@]2(CCC[N@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618081 807820187 /nfs/dbraw/zinc/82/01/87/807820187.db2.gz AVQFWWLOFRMNBD-QGZVFWFLSA-N 0 3 288.391 2.227 20 10 CECDHN CN1CC[C@@]2(CCC[N@@H+](Cc3ccccc3[O-])CC2)C1=O ZINC001272618081 807820196 /nfs/dbraw/zinc/82/01/96/807820196.db2.gz AVQFWWLOFRMNBD-QGZVFWFLSA-N 0 3 288.391 2.227 20 10 CECDHN Cc1ccc(C[C@@H](CO)[NH2+]Cc2ccccc2[O-])cc1 ZINC000188981656 808109351 /nfs/dbraw/zinc/10/93/51/808109351.db2.gz AFAFBAYZJZPMHJ-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001203558703 808737123 /nfs/dbraw/zinc/73/71/23/808737123.db2.gz WZOZKHBEYGLIJM-HNNXBMFYSA-N 0 3 270.332 2.441 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC001203558703 808737129 /nfs/dbraw/zinc/73/71/29/808737129.db2.gz WZOZKHBEYGLIJM-HNNXBMFYSA-N 0 3 270.332 2.441 20 10 CECDHN CN1CCCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708555270 809945510 /nfs/dbraw/zinc/94/55/10/809945510.db2.gz NKUWDLJEXUMMNO-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN Cc1cc([O-])c(CN2CC3(C2)CC[N@@H+](C)C3)cc1Cl ZINC001276372320 810694912 /nfs/dbraw/zinc/69/49/12/810694912.db2.gz PCAXREPJRDNUQB-UHFFFAOYSA-N 0 3 280.799 2.492 20 10 CECDHN Cc1cc([O-])c(CN2CC3(C2)CC[N@H+](C)C3)cc1Cl ZINC001276372320 810694913 /nfs/dbraw/zinc/69/49/13/810694913.db2.gz PCAXREPJRDNUQB-UHFFFAOYSA-N 0 3 280.799 2.492 20 10 CECDHN CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC001169432503 811520880 /nfs/dbraw/zinc/52/08/80/811520880.db2.gz MFNKCSZWEIIBSH-LBPRGKRZSA-N 0 3 264.369 2.129 20 10 CECDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]2COC[C@@H]21 ZINC000384788468 813123380 /nfs/dbraw/zinc/12/33/80/813123380.db2.gz SMHCHNNGXODNFM-QWHCGFSZSA-N 0 3 265.328 2.388 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]2COC[C@@H]21 ZINC000384788468 813123385 /nfs/dbraw/zinc/12/33/85/813123385.db2.gz SMHCHNNGXODNFM-QWHCGFSZSA-N 0 3 265.328 2.388 20 10 CECDHN C[C@H]([NH2+]CCN1CC=CCC1)c1cc(F)ccc1[O-] ZINC000392256323 813299667 /nfs/dbraw/zinc/29/96/67/813299667.db2.gz YOROFFZPRRLWNB-LBPRGKRZSA-N 0 3 264.344 2.444 20 10 CECDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173125046 815587944 /nfs/dbraw/zinc/58/79/44/815587944.db2.gz WHEYZDYPJYGZDX-JTQLQIEISA-N 0 3 276.361 2.201 20 10 CECDHN CN(C)C1(C)CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001138355812 815774245 /nfs/dbraw/zinc/77/42/45/815774245.db2.gz DODHAXSSUZZJJT-UHFFFAOYSA-N 0 3 273.424 2.205 20 10 CECDHN CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC001173636920 815775026 /nfs/dbraw/zinc/77/50/26/815775026.db2.gz PSGAUEIGUVCDQE-DGCLKSJQSA-N 0 3 293.363 2.309 20 10 CECDHN CCN(CC)c1ccc(CN2CCC[C@H](O)C2)c(OC)c1 ZINC001138386817 815785888 /nfs/dbraw/zinc/78/58/88/815785888.db2.gz XGCGWNSDRKUJNU-INIZCTEOSA-N 0 3 292.423 2.498 20 10 CECDHN CCC1(CN2CCN(c3ccc(OC)cc3)CC2)COC1 ZINC001202912649 815995000 /nfs/dbraw/zinc/99/50/00/815995000.db2.gz SKHUILGKVUGQQD-UHFFFAOYSA-N 0 3 290.407 2.244 20 10 CECDHN CC(=O)N1CCC([N@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC001140950957 816424110 /nfs/dbraw/zinc/42/41/10/816424110.db2.gz QNYMGLVPBXBFIH-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN CC(=O)N1CCC([N@@H+](C)Cc2ccc(C)cc2[O-])CC1 ZINC001140950957 816424112 /nfs/dbraw/zinc/42/41/12/816424112.db2.gz QNYMGLVPBXBFIH-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029492 816451285 /nfs/dbraw/zinc/45/12/85/816451285.db2.gz UKTDDKJWRXMIDG-IAQYHMDHSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c(OC)c1 ZINC001141029492 816451290 /nfs/dbraw/zinc/45/12/90/816451290.db2.gz UKTDDKJWRXMIDG-IAQYHMDHSA-N 0 3 293.363 2.020 20 10 CECDHN CN1CCC[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530651 816681397 /nfs/dbraw/zinc/68/13/97/816681397.db2.gz IYKKGBLMWJBRSG-YGRLFVJLSA-N 0 3 282.334 2.196 20 10 CECDHN CN1CCC[C@@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]21 ZINC001142530651 816681401 /nfs/dbraw/zinc/68/14/01/816681401.db2.gz IYKKGBLMWJBRSG-YGRLFVJLSA-N 0 3 282.334 2.196 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)C[C@H]2CCCOC2)c1 ZINC000156030253 366825789 /nfs/dbraw/zinc/82/57/89/366825789.db2.gz OWVVCGMJMWFXDQ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCCOC2)c1 ZINC000156030253 366825794 /nfs/dbraw/zinc/82/57/94/366825794.db2.gz OWVVCGMJMWFXDQ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCC(=O)N1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000092186797 364075573 /nfs/dbraw/zinc/07/55/73/364075573.db2.gz LFTBCYIOOMZNRU-UHFFFAOYSA-N 0 3 289.423 2.197 20 10 CECDHN [O-]c1c(F)cccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000160231890 366986604 /nfs/dbraw/zinc/98/66/04/366986604.db2.gz RCHTZWXHCFFSDK-ZDUSSCGKSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1c(F)cccc1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000160231890 366986608 /nfs/dbraw/zinc/98/66/08/366986608.db2.gz RCHTZWXHCFFSDK-ZDUSSCGKSA-N 0 3 264.344 2.201 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCSC2)c1 ZINC000179681220 368346486 /nfs/dbraw/zinc/34/64/86/368346486.db2.gz AZWFSFSQNRXMSH-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCSC2)c1 ZINC000179681220 368346488 /nfs/dbraw/zinc/34/64/88/368346488.db2.gz AZWFSFSQNRXMSH-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1cccc(C)c1[O-] ZINC000179825651 368353278 /nfs/dbraw/zinc/35/32/78/368353278.db2.gz QPVNYWOPUVIABU-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1cccc(C)c1[O-] ZINC000179825651 368353281 /nfs/dbraw/zinc/35/32/81/368353281.db2.gz QPVNYWOPUVIABU-UHFFFAOYSA-N 0 3 251.326 2.086 20 10 CECDHN C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000179888279 368357178 /nfs/dbraw/zinc/35/71/78/368357178.db2.gz UQXQFSRBVAZHAM-OLZOCXBDSA-N 0 3 265.353 2.238 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000180025214 368363585 /nfs/dbraw/zinc/36/35/85/368363585.db2.gz MDTSUWOOCGVGJG-CQSZACIVSA-N 0 3 264.344 2.201 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180634577 368391038 /nfs/dbraw/zinc/39/10/38/368391038.db2.gz JUSQLNWXCLJQEU-ZDUSSCGKSA-N 0 3 255.745 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180634577 368391043 /nfs/dbraw/zinc/39/10/43/368391043.db2.gz JUSQLNWXCLJQEU-ZDUSSCGKSA-N 0 3 255.745 2.311 20 10 CECDHN COc1ccc(O)c(CN2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180683437 368392803 /nfs/dbraw/zinc/39/28/03/368392803.db2.gz TVSVXVLZPJXEDT-DZGCQCFKSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180683437 368392810 /nfs/dbraw/zinc/39/28/10/368392810.db2.gz TVSVXVLZPJXEDT-DZGCQCFKSA-N 0 3 295.404 2.107 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000180683437 368392819 /nfs/dbraw/zinc/39/28/19/368392819.db2.gz TVSVXVLZPJXEDT-DZGCQCFKSA-N 0 3 295.404 2.107 20 10 CECDHN C[C@@H](NCC1([S@](C)=O)CC1)c1ccc(N(C)C)cc1 ZINC000282390086 296119794 /nfs/dbraw/zinc/11/97/94/296119794.db2.gz RDBCQVOEJZYBHV-BLVKFPJESA-N 0 3 280.437 2.314 20 10 CECDHN COc1cc(Cl)cc(CN2CCC[C@H](CO)C2)c1O ZINC000184669895 368710420 /nfs/dbraw/zinc/71/04/20/368710420.db2.gz UVGDCDNXMBAMST-JTQLQIEISA-N 0 3 285.771 2.259 20 10 CECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000191010058 369667963 /nfs/dbraw/zinc/66/79/63/369667963.db2.gz KMLRZAUGXSIUTL-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000191010058 369667968 /nfs/dbraw/zinc/66/79/68/369667968.db2.gz KMLRZAUGXSIUTL-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000191179252 369688089 /nfs/dbraw/zinc/68/80/89/369688089.db2.gz UNQSUJMMOIHUGU-BXKDBHETSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000191179252 369688093 /nfs/dbraw/zinc/68/80/93/369688093.db2.gz UNQSUJMMOIHUGU-BXKDBHETSA-N 0 3 285.771 2.257 20 10 CECDHN CCN1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226582404 370347091 /nfs/dbraw/zinc/34/70/91/370347091.db2.gz DYEFCPGGDZCIKN-UHFFFAOYSA-N 0 3 252.333 2.105 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249236657 371306196 /nfs/dbraw/zinc/30/61/96/371306196.db2.gz WCGCXCASASNFOC-SCRDCRAPSA-N 0 3 251.301 2.188 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000366449956 373052291 /nfs/dbraw/zinc/05/22/91/373052291.db2.gz FZAVJLWYZCDTCS-RHSMWYFYSA-N 0 3 291.391 2.471 20 10 CECDHN COCC1(O)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000271787106 373199723 /nfs/dbraw/zinc/19/97/23/373199723.db2.gz IOGIJIZJRJNUDS-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN CC(C)N(Cc1ccc(N(C)C)cc1)CC1OCCO1 ZINC000272194010 373351444 /nfs/dbraw/zinc/35/14/44/373351444.db2.gz ZSGWJIJTIHGRMM-UHFFFAOYSA-N 0 3 278.396 2.336 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCOCCO)c([O-])c1C ZINC000273491297 373759950 /nfs/dbraw/zinc/75/99/50/373759950.db2.gz WQZCEBZEVRKMQH-CYBMUJFWSA-N 0 3 267.369 2.059 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000273552443 373764508 /nfs/dbraw/zinc/76/45/08/373764508.db2.gz GDFJRVAODNKBNY-QMTHXVAHSA-N 0 3 267.369 2.458 20 10 CECDHN CCN(CC)c1ccc(CN(CC)[C@H]2CCNC2=O)cc1 ZINC000281782474 375396248 /nfs/dbraw/zinc/39/62/48/375396248.db2.gz NFQSJOQUEFSOBC-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000284859305 375831675 /nfs/dbraw/zinc/83/16/75/375831675.db2.gz AMYBFSDQSZVBGO-LBPRGKRZSA-N 0 3 297.420 2.237 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(F)cc1[O-] ZINC000286334443 375918534 /nfs/dbraw/zinc/91/85/34/375918534.db2.gz YBETXTIWWOIRLE-UKRRQHHQSA-N 0 3 296.386 2.029 20 10 CECDHN CN1CCC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000293617491 377658695 /nfs/dbraw/zinc/65/86/95/377658695.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 0 3 260.381 2.310 20 10 CECDHN CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000293617491 377658703 /nfs/dbraw/zinc/65/87/03/377658703.db2.gz KMHMZXZMJLCGBO-MRXNPFEDSA-N 0 3 260.381 2.310 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294271859 377962837 /nfs/dbraw/zinc/96/28/37/377962837.db2.gz LVYXNCDASBPNJC-LBPRGKRZSA-N 0 3 264.369 2.138 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCn1ccnc1)CC2 ZINC000295790341 378304769 /nfs/dbraw/zinc/30/47/69/378304769.db2.gz BOBUBWROKSXYKE-ZDUSSCGKSA-N 0 3 257.337 2.256 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOCC(F)F)CC2 ZINC000296425388 378527303 /nfs/dbraw/zinc/52/73/03/378527303.db2.gz LSHDLWBRFOBDRV-SNVBAGLBSA-N 0 3 257.280 2.251 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1SC ZINC000298229936 378696056 /nfs/dbraw/zinc/69/60/56/378696056.db2.gz BFEQGBFOIFCXHF-BNOWGMLFSA-N 0 3 267.394 2.391 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000529636683 380181422 /nfs/dbraw/zinc/18/14/22/380181422.db2.gz GSSICWUDIQUCKB-LLVKDONJSA-N 0 3 253.317 2.438 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000227521978 394473428 /nfs/dbraw/zinc/47/34/28/394473428.db2.gz GXHUUAQQXUMHTH-ZDUSSCGKSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093644614 394668362 /nfs/dbraw/zinc/66/83/62/394668362.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)c1[O-] ZINC000093644614 394668364 /nfs/dbraw/zinc/66/83/64/394668364.db2.gz OMZBXQHDPSCQRE-GXTWGEPZSA-N 0 3 278.396 2.315 20 10 CECDHN COc1cccc(C[N@H+](C)CCc2ccccn2)c1[O-] ZINC000120822383 394785406 /nfs/dbraw/zinc/78/54/06/394785406.db2.gz MRZIXDIVUIYJRY-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN COc1cccc(C[N@@H+](C)CCc2ccccn2)c1[O-] ZINC000120822383 394785412 /nfs/dbraw/zinc/78/54/12/394785412.db2.gz MRZIXDIVUIYJRY-UHFFFAOYSA-N 0 3 272.348 2.470 20 10 CECDHN Cc1nn(C)c(C)c1CNCc1cccc(C)c1O ZINC000124788527 394840299 /nfs/dbraw/zinc/84/02/99/394840299.db2.gz NTBNEWKESGNRAF-UHFFFAOYSA-N 0 3 259.353 2.341 20 10 CECDHN CCC[C@H](C(=O)NCc1ccc2c(c1)CCN2C)N(C)C ZINC000364399236 394898119 /nfs/dbraw/zinc/89/81/19/394898119.db2.gz HZMYWIMRXVWTOK-MRXNPFEDSA-N 0 3 289.423 2.025 20 10 CECDHN CCCN1CCN(Cc2cccc(OCC)c2O)CC1 ZINC000131697829 394917025 /nfs/dbraw/zinc/91/70/25/394917025.db2.gz ZXEJWJRZCCIGBU-UHFFFAOYSA-N 0 3 278.396 2.319 20 10 CECDHN CCOc1cccc(CN(C)C[C@@H]2CCCO2)c1O ZINC000132964639 394942277 /nfs/dbraw/zinc/94/22/77/394942277.db2.gz ZQEFJYNVYMFWFS-ZDUSSCGKSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1ccc(O)c(CN2CCN(c3nccnc3C)CC2)c1 ZINC000374210046 395076834 /nfs/dbraw/zinc/07/68/34/395076834.db2.gz JRNUFGMMASJDML-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN O=C(NC1CC[NH+](Cc2ccccc2[O-])CC1)C1CCC1 ZINC000374286610 395079884 /nfs/dbraw/zinc/07/98/84/395079884.db2.gz YLYFALVXHSMNBA-UHFFFAOYSA-N 0 3 288.391 2.273 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@]2(O)CCSC2)c([O-])c1 ZINC000176758315 395142460 /nfs/dbraw/zinc/14/24/60/395142460.db2.gz ZFAWXEVXOKLUIR-OAHLLOKOSA-N 0 3 297.420 2.139 20 10 CECDHN CC[C@H]([NH2+]CCNC(=O)C(C)C)c1ccccc1[O-] ZINC000020125319 171008002 /nfs/dbraw/zinc/00/80/02/171008002.db2.gz SYSHTRFRKCDWCK-ZDUSSCGKSA-N 0 3 264.369 2.205 20 10 CECDHN CCOc1cccc(C[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000020125781 171009170 /nfs/dbraw/zinc/00/91/70/171009170.db2.gz BHIAPABOMWWKGC-UHFFFAOYSA-N 0 3 266.385 2.221 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CN1CCOCC1)c1ccccc1[O-] ZINC000036932892 260052554 /nfs/dbraw/zinc/05/25/54/260052554.db2.gz RSRDIOIWMBTULR-UKRRQHHQSA-N 0 3 278.396 2.154 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]([NH+](C)C)C2)c1[O-] ZINC000091393745 260266009 /nfs/dbraw/zinc/26/60/09/260266009.db2.gz UTPRFSNSCVJAAN-CQSZACIVSA-N 0 3 294.370 2.260 20 10 CECDHN COc1cccc(CNCc2cccc3c2OCO3)c1O ZINC000040666989 260341201 /nfs/dbraw/zinc/34/12/01/260341201.db2.gz UWGFAZIWXUPFGW-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCn2cccn2)c1 ZINC000126262594 260347155 /nfs/dbraw/zinc/34/71/55/260347155.db2.gz LUTXKFOUKXFRNA-LBPRGKRZSA-N 0 3 275.352 2.338 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1[O-] ZINC000155434957 261102119 /nfs/dbraw/zinc/10/21/19/261102119.db2.gz FDHDLQSIZWWIDL-WCQYABFASA-N 0 3 260.341 2.113 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000185008571 262037810 /nfs/dbraw/zinc/03/78/10/262037810.db2.gz BQYNPKNTEAQQPM-ZDUSSCGKSA-N 0 3 296.411 2.020 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCCCCS(C)(=O)=O)c1 ZINC000185209298 262045996 /nfs/dbraw/zinc/04/59/96/262045996.db2.gz XCHWMQWGXNPSDR-UHFFFAOYSA-N 0 3 285.409 2.005 20 10 CECDHN CCOC(=O)N1CC[C@@H](NCc2ccc(N(C)C)cc2)C1 ZINC000185786706 262070716 /nfs/dbraw/zinc/07/07/16/262070716.db2.gz QPKQEROSNSIBIO-CQSZACIVSA-N 0 3 291.395 2.073 20 10 CECDHN CCO[C@H]1C[C@@](CO)([NH2+]Cc2cc(C)ccc2[O-])C1(C)C ZINC000186590033 262101044 /nfs/dbraw/zinc/10/10/44/262101044.db2.gz XRBGLKOSUAWNJC-RDJZCZTQSA-N 0 3 293.407 2.356 20 10 CECDHN CCOc1cccc(CNCC2(C)OCCCO2)c1O ZINC000192251742 262200997 /nfs/dbraw/zinc/20/09/97/262200997.db2.gz UHKWFDVYFWUELJ-UHFFFAOYSA-N 0 3 281.352 2.034 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141865 262302983 /nfs/dbraw/zinc/30/29/83/262302983.db2.gz TWXDGJBHYKEHIE-NEPJUHHUSA-N 0 3 264.369 2.146 20 10 CECDHN COc1cc([O-])c(C[NH2+]C2(CCO)CCCC2)cc1OC ZINC000289356059 263109614 /nfs/dbraw/zinc/10/96/14/263109614.db2.gz JTXXBDPIZXXUQV-UHFFFAOYSA-N 0 3 295.379 2.194 20 10 CECDHN CC(C)C[C@@H](CN(C)C)NC(=O)NCc1ccccc1O ZINC000299558821 263246612 /nfs/dbraw/zinc/24/66/12/263246612.db2.gz ZFZQDDVNDMCPEK-AWEZNQCLSA-N 0 3 293.411 2.168 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000164751861 263700598 /nfs/dbraw/zinc/70/05/98/263700598.db2.gz AHNMZCNCDCVGHJ-LLVKDONJSA-N 0 3 253.367 2.386 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368045721 267142021 /nfs/dbraw/zinc/14/20/21/267142021.db2.gz WEZUEGGVIYPXEM-CAVOSLQRSA-N 0 3 288.391 2.429 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368045721 267142022 /nfs/dbraw/zinc/14/20/22/267142022.db2.gz WEZUEGGVIYPXEM-CAVOSLQRSA-N 0 3 288.391 2.429 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000185823195 327846549 /nfs/dbraw/zinc/84/65/49/327846549.db2.gz VARILYGDBGTOQW-MASHWEEQSA-N 0 3 265.353 2.208 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000293537171 328101239 /nfs/dbraw/zinc/10/12/39/328101239.db2.gz AHTNWNXEWFMXTG-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN COC[C@@H](CO)N[C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000280983271 328237756 /nfs/dbraw/zinc/23/77/56/328237756.db2.gz MFIWOEIPVSJMJC-GDBMZVCRSA-N 0 3 292.423 2.335 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000294002292 327194617 /nfs/dbraw/zinc/19/46/17/327194617.db2.gz MHLSOKBPUJHNHG-ABAIWWIYSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CC2(O)Cc3ccccc3C2)c1 ZINC000377776475 329029050 /nfs/dbraw/zinc/02/90/50/329029050.db2.gz VSMJCIISKJAXNK-UHFFFAOYSA-N 0 3 283.371 2.320 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378127893 329041017 /nfs/dbraw/zinc/04/10/17/329041017.db2.gz IHCCMTQKIAOOAX-MRXNPFEDSA-N 0 3 279.380 2.241 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000378127893 329041019 /nfs/dbraw/zinc/04/10/19/329041019.db2.gz IHCCMTQKIAOOAX-MRXNPFEDSA-N 0 3 279.380 2.241 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCCC[C@H](CO)C2)cc1OC ZINC000378440134 329050348 /nfs/dbraw/zinc/05/03/48/329050348.db2.gz ZNDFEBFEWNVXGQ-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCCC[C@H](CO)C2)cc1OC ZINC000378440134 329050349 /nfs/dbraw/zinc/05/03/49/329050349.db2.gz ZNDFEBFEWNVXGQ-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)c1[O-] ZINC000224543338 333222351 /nfs/dbraw/zinc/22/23/51/333222351.db2.gz IYDYLPIRXCNAFK-CABCVRRESA-N 0 3 260.381 2.417 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000230299783 333316222 /nfs/dbraw/zinc/31/62/22/333316222.db2.gz NFJBADFMTVTPCC-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@](C)(OC)C2)c1 ZINC000230299783 333316224 /nfs/dbraw/zinc/31/62/24/333316224.db2.gz NFJBADFMTVTPCC-OAHLLOKOSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)C(C)C)c1 ZINC000230664188 333320021 /nfs/dbraw/zinc/32/00/21/333320021.db2.gz NLTIHQNIFIVZBM-BXUZGUMPSA-N 0 3 267.369 2.458 20 10 CECDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC(C)(C)C ZINC000135719287 334137169 /nfs/dbraw/zinc/13/71/69/334137169.db2.gz XDACWZXBIDJVTG-QWRGUYRKSA-N 0 3 264.369 2.346 20 10 CECDHN Cc1ccc([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000271207689 500662065 /nfs/dbraw/zinc/66/20/65/500662065.db2.gz SNIUPGDTCDCGQV-UHFFFAOYSA-N 0 3 276.380 2.178 20 10 CECDHN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000290313172 519786963 /nfs/dbraw/zinc/78/69/63/519786963.db2.gz NUOFAUDYMNXMNC-JTQLQIEISA-N 0 3 289.372 2.005 20 10 CECDHN CCN1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000104136582 521589143 /nfs/dbraw/zinc/58/91/43/521589143.db2.gz WPELUGFCSZMHTF-MRXNPFEDSA-N 0 3 289.423 2.243 20 10 CECDHN CCOC(CC[NH2+]Cc1cccc(OC)c1[O-])OCC ZINC000276269276 521630156 /nfs/dbraw/zinc/63/01/56/521630156.db2.gz VNSDUTJOBNZHGT-UHFFFAOYSA-N 0 3 283.368 2.280 20 10 CECDHN CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000094948703 522507090 /nfs/dbraw/zinc/50/70/90/522507090.db2.gz MPQOIBJNDFCXKU-RYUDHWBXSA-N 0 3 267.369 2.460 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H]2CCCOC2)c1[O-] ZINC000228673129 522543286 /nfs/dbraw/zinc/54/32/86/522543286.db2.gz GKUQZKIPNDULRI-NSHDSACASA-N 0 3 271.744 2.323 20 10 CECDHN CC[C@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[O-] ZINC000155386739 522577146 /nfs/dbraw/zinc/57/71/46/522577146.db2.gz YZDBWMOTJZWMNQ-ZDUSSCGKSA-N 0 3 264.369 2.301 20 10 CECDHN CC[C@@H]([NH2+]CCCNC(C)=O)c1ccc(C)cc1[O-] ZINC000280079074 522828575 /nfs/dbraw/zinc/82/85/75/522828575.db2.gz LPSFSRZLUVGSPB-CQSZACIVSA-N 0 3 264.369 2.268 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCN(CCOC)C1)c1ccccc1[O-] ZINC000274931798 522951384 /nfs/dbraw/zinc/95/13/84/522951384.db2.gz RAHCNESVELSBJS-DZGCQCFKSA-N 0 3 278.396 2.154 20 10 CECDHN COCCOCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000044693903 524010136 /nfs/dbraw/zinc/01/01/36/524010136.db2.gz KHAMMFMCMIBZDF-LBPRGKRZSA-N 0 3 253.342 2.014 20 10 CECDHN Cc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c1[O-] ZINC000289872997 524439027 /nfs/dbraw/zinc/43/90/27/524439027.db2.gz RKIASZKXXPDIHA-CZUORRHYSA-N 0 3 290.407 2.484 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccc(F)cc2)c1 ZINC000278677248 524752938 /nfs/dbraw/zinc/75/29/38/524752938.db2.gz LZWRBJWVXUZUFT-MRXNPFEDSA-N 0 3 291.322 2.363 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CC(C)C)c1 ZINC000040774034 524774785 /nfs/dbraw/zinc/77/47/85/524774785.db2.gz KNIBODOAPATVDJ-RYUDHWBXSA-N 0 3 267.369 2.458 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@H]2CCOC2)c1[O-] ZINC000280200221 524869217 /nfs/dbraw/zinc/86/92/17/524869217.db2.gz BGRWLRKZCUFOLT-WCQYABFASA-N 0 3 299.798 2.089 20 10 CECDHN Cc1cc(N2CCC([NH2+]Cc3ccccc3[O-])CC2)n[nH]1 ZINC000275780297 525057308 /nfs/dbraw/zinc/05/73/08/525057308.db2.gz BHQNRXILLVZPRA-UHFFFAOYSA-N 0 3 286.379 2.182 20 10 CECDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289740638 525247202 /nfs/dbraw/zinc/24/72/02/525247202.db2.gz QCYHBWOHOAYDMP-UKRRQHHQSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@@H]1C[C@@H](N2CCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289740638 525247210 /nfs/dbraw/zinc/24/72/10/525247210.db2.gz QCYHBWOHOAYDMP-UKRRQHHQSA-N 0 3 260.381 2.451 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000277066216 525345759 /nfs/dbraw/zinc/34/57/59/525345759.db2.gz QUIYKWAIJSYDEF-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCc3cc[nH]c(=O)c3C2)c1 ZINC000277066216 525345766 /nfs/dbraw/zinc/34/57/66/525345766.db2.gz QUIYKWAIJSYDEF-UHFFFAOYSA-N 0 3 270.332 2.360 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CN2CCCC2=O)c1 ZINC000037782915 525363431 /nfs/dbraw/zinc/36/34/31/525363431.db2.gz XPBWAIIYNGMFKI-CHWSQXEVSA-N 0 3 276.380 2.362 20 10 CECDHN C[C@@H]([NH2+]CCCn1ccnc1)c1cc(F)ccc1[O-] ZINC000094617044 525447014 /nfs/dbraw/zinc/44/70/14/525447014.db2.gz CPTKVGSUKHZLMC-LLVKDONJSA-N 0 3 263.316 2.469 20 10 CECDHN C[C@H](NCc1ccnn1C)c1ccc(N(C)C)cc1 ZINC000071333442 525470540 /nfs/dbraw/zinc/47/05/40/525470540.db2.gz VAXCAKJUCKYTQD-LBPRGKRZSA-N 0 3 258.369 2.337 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000094618081 525605741 /nfs/dbraw/zinc/60/57/41/525605741.db2.gz ONYUDSCKYKSCNW-WFBYXXMGSA-N 0 3 253.317 2.485 20 10 CECDHN CSC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000130987676 525658254 /nfs/dbraw/zinc/65/82/54/525658254.db2.gz PRLGXGITNRZAOD-NSHDSACASA-N 0 3 281.377 2.448 20 10 CECDHN CSC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000130987676 525658258 /nfs/dbraw/zinc/65/82/58/525658258.db2.gz PRLGXGITNRZAOD-NSHDSACASA-N 0 3 281.377 2.448 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000094618082 525675706 /nfs/dbraw/zinc/67/57/06/525675706.db2.gz ONYUDSCKYKSCNW-LQJRIPTKSA-N 0 3 253.317 2.485 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290466433 525919126 /nfs/dbraw/zinc/91/91/26/525919126.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1[O-] ZINC000290466433 525919133 /nfs/dbraw/zinc/91/91/33/525919133.db2.gz NGVPPFVBGGCZOK-JSGCOSHPSA-N 0 3 278.396 2.173 20 10 CECDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2cccs2)c1[O-] ZINC000265780945 526019708 /nfs/dbraw/zinc/01/97/08/526019708.db2.gz OKAVDXNTDUJBRB-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCC[C@@H](C)C1 ZINC000731869556 574604524 /nfs/dbraw/zinc/60/45/24/574604524.db2.gz LMTLJUPCRFSHMZ-MNOVXSKESA-N 0 3 282.409 2.304 20 10 CECDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCC[C@@H](C)C1 ZINC000731869556 574604525 /nfs/dbraw/zinc/60/45/25/574604525.db2.gz LMTLJUPCRFSHMZ-MNOVXSKESA-N 0 3 282.409 2.304 20 10 CECDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732820589 574632437 /nfs/dbraw/zinc/63/24/37/574632437.db2.gz LVPQROYIDYPNMT-XHDPSFHLSA-N 0 3 267.369 2.288 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCOC1CCC1 ZINC000742387008 575018982 /nfs/dbraw/zinc/01/89/82/575018982.db2.gz OCPIBGQSPVBDDO-UHFFFAOYSA-N 0 3 251.326 2.060 20 10 CECDHN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000745855149 575144820 /nfs/dbraw/zinc/14/48/20/575144820.db2.gz RYUCAHZLEAAWJD-OCCSQVGLSA-N 0 3 291.395 2.016 20 10 CECDHN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2O)CCN1C ZINC000745855145 575144951 /nfs/dbraw/zinc/14/49/51/575144951.db2.gz RYUCAHZLEAAWJD-GXTWGEPZSA-N 0 3 291.395 2.016 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCSC1 ZINC000749111213 575205469 /nfs/dbraw/zinc/20/54/69/575205469.db2.gz YKVAQWLTWQAPEV-SNVBAGLBSA-N 0 3 253.367 2.386 20 10 CECDHN CC[C@@H](C(=O)NCc1cc(OC)ccc1O)N(CC)CC ZINC000750023273 575244044 /nfs/dbraw/zinc/24/40/44/575244044.db2.gz XCIPHGHBQKWFHY-AWEZNQCLSA-N 0 3 294.395 2.137 20 10 CECDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1COC(C)(C)O1 ZINC000891397108 623593939 /nfs/dbraw/zinc/59/39/39/623593939.db2.gz LMOXFAHSBWTAIG-HNNXBMFYSA-N 0 3 278.396 2.336 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891714120 623921057 /nfs/dbraw/zinc/92/10/57/623921057.db2.gz SFJMQDXKJOILLU-UONOGXRCSA-N 0 3 295.354 2.458 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891714120 623921059 /nfs/dbraw/zinc/92/10/59/623921059.db2.gz SFJMQDXKJOILLU-UONOGXRCSA-N 0 3 295.354 2.458 20 10 CECDHN C[NH2+]C[C@@H]1CCCN(Cc2cc(F)cc(C(C)=O)c2[O-])C1 ZINC000050158915 624603078 /nfs/dbraw/zinc/60/30/78/624603078.db2.gz GTOXGQXEDFOMNT-LBPRGKRZSA-N 0 3 294.370 2.165 20 10 CECDHN [O-]c1cccc(Cl)c1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000311210130 627391082 /nfs/dbraw/zinc/39/10/82/627391082.db2.gz KZKNJEBSCHJXAB-MFKMUULPSA-N 0 3 266.772 2.229 20 10 CECDHN CCOCCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180284712 628076874 /nfs/dbraw/zinc/07/68/74/628076874.db2.gz ZVWYPKMWCSNKIQ-AWEZNQCLSA-N 0 3 283.343 2.159 20 10 CECDHN CCOCCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180284712 628076876 /nfs/dbraw/zinc/07/68/76/628076876.db2.gz ZVWYPKMWCSNKIQ-AWEZNQCLSA-N 0 3 283.343 2.159 20 10 CECDHN CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902468187 634685428 /nfs/dbraw/zinc/68/54/28/634685428.db2.gz MNWBXYSCJWLVKL-SCUASFONSA-N 0 3 264.344 2.465 20 10 CECDHN CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1[O-] ZINC000925786252 628824855 /nfs/dbraw/zinc/82/48/55/628824855.db2.gz SXPZAYZLISPYCH-JIMOISOXSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@H]1[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000841692494 628922151 /nfs/dbraw/zinc/92/21/51/628922151.db2.gz RRWQGVNHONOLIZ-CZFOOCMKSA-N 0 3 277.364 2.294 20 10 CECDHN C[C@H]1[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C[C@H]1C ZINC000841692494 628922153 /nfs/dbraw/zinc/92/21/53/628922153.db2.gz RRWQGVNHONOLIZ-CZFOOCMKSA-N 0 3 277.364 2.294 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cc(F)ccc1[O-] ZINC000251705666 629161797 /nfs/dbraw/zinc/16/17/97/629161797.db2.gz PCKYIKVDPNRGQH-OUJBWJOFSA-N 0 3 253.317 2.343 20 10 CECDHN COc1cc(CN2CC[C@@H]2CO)c(O)c(C(C)(C)C)c1 ZINC000902629442 634752188 /nfs/dbraw/zinc/75/21/88/634752188.db2.gz DKFNVOHNVPPSFX-GFCCVEGCSA-N 0 3 279.380 2.265 20 10 CECDHN C[C@H](NCc1c[nH]cn1)c1ccc(N2CCOCC2)cc1 ZINC000796451235 629908080 /nfs/dbraw/zinc/90/80/80/629908080.db2.gz UPQSJCPOEAZJML-ZDUSSCGKSA-N 0 3 286.379 2.097 20 10 CECDHN C[C@H](NCc1cnc[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000796451235 629908084 /nfs/dbraw/zinc/90/80/84/629908084.db2.gz UPQSJCPOEAZJML-ZDUSSCGKSA-N 0 3 286.379 2.097 20 10 CECDHN COC(=O)[C@@H]1[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1(F)F ZINC000895460063 630202595 /nfs/dbraw/zinc/20/25/95/630202595.db2.gz ITSWAJXVJGFKED-PEXQALLHSA-N 0 3 285.290 2.097 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781114 630349252 /nfs/dbraw/zinc/34/92/52/630349252.db2.gz CIHAEKDBZXKMMV-BIMULSAOSA-N 0 3 297.782 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781114 630349254 /nfs/dbraw/zinc/34/92/54/630349254.db2.gz CIHAEKDBZXKMMV-BIMULSAOSA-N 0 3 297.782 2.257 20 10 CECDHN CO[C@]12CCC[C@@]1([NH2+]Cc1ccccc1[O-])CCO2 ZINC000896412885 630558006 /nfs/dbraw/zinc/55/80/06/630558006.db2.gz FOCGIJNGUWJMQD-CABCVRRESA-N 0 3 263.337 2.168 20 10 CECDHN [O-]c1cccc(F)c1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000896636487 630620768 /nfs/dbraw/zinc/62/07/68/630620768.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1cccc(F)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000896636487 630620770 /nfs/dbraw/zinc/62/07/70/630620770.db2.gz DIWKUYKHRASDIA-NEPJUHHUSA-N 0 3 264.344 2.248 20 10 CECDHN C[C@H](O)CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000798195249 630834617 /nfs/dbraw/zinc/83/46/17/630834617.db2.gz DMIRFVZAVIGFBK-DZGCQCFKSA-N 0 3 279.380 2.144 20 10 CECDHN C[C@H](O)CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000798195249 630834622 /nfs/dbraw/zinc/83/46/22/630834622.db2.gz DMIRFVZAVIGFBK-DZGCQCFKSA-N 0 3 279.380 2.144 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000896962001 630844471 /nfs/dbraw/zinc/84/44/71/630844471.db2.gz HJORTIPBFCCUDL-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC)cc2[O-])C1 ZINC000896962001 630844476 /nfs/dbraw/zinc/84/44/76/630844476.db2.gz HJORTIPBFCCUDL-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C(=O)NCCF)c1ccc(C)cc1[O-] ZINC000800498479 631131004 /nfs/dbraw/zinc/13/10/04/631131004.db2.gz LCIVVKOZGWIATI-YPMHNXCESA-N 0 3 282.359 2.216 20 10 CECDHN CCOc1ccc(C[NH2+]Cc2cnn(CCF)c2)c([O-])c1 ZINC000897737652 631908483 /nfs/dbraw/zinc/90/84/83/631908483.db2.gz RHYWUYRVBNSHCG-UHFFFAOYSA-N 0 3 293.342 2.247 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000808708173 632003276 /nfs/dbraw/zinc/00/32/76/632003276.db2.gz IZTVRFNZKCYAAV-HZMBPMFUSA-N 0 3 285.771 2.156 20 10 CECDHN CCOc1ccc(CN(C)Cc2cnc[nH]2)c(O)c1 ZINC000826769620 635842448 /nfs/dbraw/zinc/84/24/48/635842448.db2.gz OWGCJVOSQSDSAK-UHFFFAOYSA-N 0 3 261.325 2.146 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC1(OC)CCC1 ZINC000815145668 632972371 /nfs/dbraw/zinc/97/23/71/632972371.db2.gz BPFCSJNMDZFWIV-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN CCCC[C@H](CN)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000817962068 633804973 /nfs/dbraw/zinc/80/49/73/633804973.db2.gz HPPMSTZLJVTGLU-WCQYABFASA-N 0 3 294.395 2.347 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccc2ccccc2c1[O-] ZINC000817983949 633826266 /nfs/dbraw/zinc/82/62/66/633826266.db2.gz SFDIYOHILYMPNX-TZMCWYRMSA-N 0 3 286.375 2.184 20 10 CECDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)cc2[O-])CCO1 ZINC000824320397 635404247 /nfs/dbraw/zinc/40/42/47/635404247.db2.gz HAKSOTMPBAUVTE-STQMWFEESA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](C)CCCO)c([O-])c1 ZINC000824603399 635461018 /nfs/dbraw/zinc/46/10/18/635461018.db2.gz RIIXIVGKWWZXQG-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826910301 635879214 /nfs/dbraw/zinc/87/92/14/635879214.db2.gz DWOUTBXIHRIADO-VPZZIHKRSA-N 0 3 285.384 2.311 20 10 CECDHN CCOc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c([O-])c1 ZINC000827152048 636237757 /nfs/dbraw/zinc/23/77/57/636237757.db2.gz PQHZXBHNKWSJOA-VXGBXAGGSA-N 0 3 279.380 2.240 20 10 CECDHN CCOc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000827152351 636239031 /nfs/dbraw/zinc/23/90/31/636239031.db2.gz SIYGDOSHOZQFSW-VXGBXAGGSA-N 0 3 279.380 2.240 20 10 CECDHN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(C)C)c1 ZINC000827167252 636244196 /nfs/dbraw/zinc/24/41/96/636244196.db2.gz OXOQGQOUPUXTGX-AWEZNQCLSA-N 0 3 276.380 2.190 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@@H](N)CC(F)F)cc1 ZINC000827340733 636299314 /nfs/dbraw/zinc/29/93/14/636299314.db2.gz JLHYIYDULSERFN-ZDUSSCGKSA-N 0 3 299.365 2.132 20 10 CECDHN CCN(C)c1ccc(CN2CC[C@](O)(C(F)F)C2)cc1 ZINC000831180803 637247394 /nfs/dbraw/zinc/24/73/94/637247394.db2.gz AKFXFGZQRURLLM-OAHLLOKOSA-N 0 3 284.350 2.345 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)COc1ccccc1)CC2 ZINC000834502625 637849251 /nfs/dbraw/zinc/84/92/51/637849251.db2.gz RKSYMSZCMJOAED-GDBMZVCRSA-N 0 3 299.370 2.409 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876657519 650381047 /nfs/dbraw/zinc/38/10/47/650381047.db2.gz GRYYQLQRYCCDMC-CQSZACIVSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876657519 650381050 /nfs/dbraw/zinc/38/10/50/650381050.db2.gz GRYYQLQRYCCDMC-CQSZACIVSA-N 0 3 290.407 2.439 20 10 CECDHN CCN1C[C@H]([NH2+][C@H]2C[C@@H](C)c3c2c([O-])ccc3F)CC1=O ZINC000834888907 637979019 /nfs/dbraw/zinc/97/90/19/637979019.db2.gz CXPRBYMGZVZZTN-FOGDFJRCSA-N 0 3 292.354 2.290 20 10 CECDHN O=C1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H]2CCCCN12 ZINC000834911865 637985953 /nfs/dbraw/zinc/98/59/53/637985953.db2.gz BGJONJJSLUWRLF-MELADBBJSA-N 0 3 286.375 2.123 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000834914464 637987222 /nfs/dbraw/zinc/98/72/22/637987222.db2.gz MYJZJDUSCFAFFX-SGMGOOAPSA-N 0 3 274.364 2.196 20 10 CECDHN CC1(C)C[C@@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000835061444 638045127 /nfs/dbraw/zinc/04/51/27/638045127.db2.gz ZYKVRPPEEDIAIV-NSHDSACASA-N 0 3 293.363 2.416 20 10 CECDHN Cc1cccc(O)c1CN1CCN(CCOC(C)C)CC1 ZINC000876760840 650423604 /nfs/dbraw/zinc/42/36/04/650423604.db2.gz UNAHVEGWYDXKMV-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000876763447 650424850 /nfs/dbraw/zinc/42/48/50/650424850.db2.gz GSBVULDISKLLIE-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000876763447 650424854 /nfs/dbraw/zinc/42/48/54/650424854.db2.gz GSBVULDISKLLIE-ZDUSSCGKSA-N 0 3 263.337 2.228 20 10 CECDHN Cc1ccc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000876798826 650437664 /nfs/dbraw/zinc/43/76/64/650437664.db2.gz PSIJXIXWHNBZDC-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c([O-])c1 ZINC000876798826 650437665 /nfs/dbraw/zinc/43/76/65/650437665.db2.gz PSIJXIXWHNBZDC-HIFRSBDPSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000876926119 650488550 /nfs/dbraw/zinc/48/85/50/650488550.db2.gz LOJRKGDRWSZVGZ-UHFFFAOYSA-N 0 3 290.407 2.437 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1[O-] ZINC000156382570 639348211 /nfs/dbraw/zinc/34/82/11/639348211.db2.gz RAMRENSWCTXHIL-AAEUAGOBSA-N 0 3 285.409 2.256 20 10 CECDHN Cc1cc(C)c(O)c(CN2CCN(C3CC3)CC2)c1 ZINC000164243137 639355811 /nfs/dbraw/zinc/35/58/11/639355811.db2.gz PLWOPCRIPCDKQA-UHFFFAOYSA-N 0 3 260.381 2.289 20 10 CECDHN CCCNC(=O)CC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000045071806 639386696 /nfs/dbraw/zinc/38/66/96/639386696.db2.gz LXTPHSHXGJGURB-ZDUSSCGKSA-N 0 3 264.369 2.349 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)CCNC(=O)C(C)C ZINC000840919922 639586713 /nfs/dbraw/zinc/58/67/13/639586713.db2.gz DOCYDJOTWFZAPI-UHFFFAOYSA-N 0 3 291.439 2.265 20 10 CECDHN C[C@@H]1C[NH2+]CC[C@@H]1NCc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063587 639639986 /nfs/dbraw/zinc/63/99/86/639639986.db2.gz LDIZLOUPQIMRMU-KCJUWKMLSA-N 0 3 299.758 2.041 20 10 CECDHN C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000841063587 639639989 /nfs/dbraw/zinc/63/99/89/639639989.db2.gz LDIZLOUPQIMRMU-KCJUWKMLSA-N 0 3 299.758 2.041 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@@H](C)N)c1 ZINC000841077071 639646951 /nfs/dbraw/zinc/64/69/51/639646951.db2.gz YDHXWYIZBWMPLZ-BDAKNGLRSA-N 0 3 287.201 2.288 20 10 CECDHN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCCNC1 ZINC000841089112 639653188 /nfs/dbraw/zinc/65/31/88/639653188.db2.gz DROVTMHBAHRNTH-LLVKDONJSA-N 0 3 299.212 2.386 20 10 CECDHN [O-]c1c(Br)cccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841089112 639653195 /nfs/dbraw/zinc/65/31/95/639653195.db2.gz DROVTMHBAHRNTH-LLVKDONJSA-N 0 3 299.212 2.386 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCc2ccn(C)n2)c([O-])c1 ZINC000230897891 639805318 /nfs/dbraw/zinc/80/53/18/639805318.db2.gz YHKSUOPWBUOHCP-LBPRGKRZSA-N 0 3 259.353 2.327 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841744515 639855357 /nfs/dbraw/zinc/85/53/57/639855357.db2.gz IHVAKDHUHVLCOP-AAEUAGOBSA-N 0 3 298.814 2.153 20 10 CECDHN Cc1noc(CCC[NH2+]Cc2ccc(C)cc2[O-])n1 ZINC000877023729 650535532 /nfs/dbraw/zinc/53/55/32/650535532.db2.gz CFPYZINWAPBTPX-UHFFFAOYSA-N 0 3 261.325 2.114 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877045116 650545183 /nfs/dbraw/zinc/54/51/83/650545183.db2.gz QDMODHQCBQBQPY-ZFWWWQNUSA-N 0 3 290.407 2.437 20 10 CECDHN CNC(=O)c1cccc(CC[NH2+]Cc2ccc(C)cc2[O-])c1 ZINC000877059022 650552965 /nfs/dbraw/zinc/55/29/65/650552965.db2.gz POERCAKDAKQZRP-UHFFFAOYSA-N 0 3 298.386 2.393 20 10 CECDHN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000842753371 640169685 /nfs/dbraw/zinc/16/96/85/640169685.db2.gz FEYLCAFIFROCMR-NEPJUHHUSA-N 0 3 267.369 2.288 20 10 CECDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(Br)ccc1[O-] ZINC000843066074 640265473 /nfs/dbraw/zinc/26/54/73/640265473.db2.gz SABLFMZKBYVBRD-AOOOYVTPSA-N 0 3 299.212 2.337 20 10 CECDHN C[C@]1(F)C[NH2+]CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000843125087 640292150 /nfs/dbraw/zinc/29/21/50/640292150.db2.gz NJMDXMNIVIQIRW-ZDUSSCGKSA-N 0 3 272.751 2.179 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756296 640828679 /nfs/dbraw/zinc/82/86/79/640828679.db2.gz JXAHIFUOVGGOAF-OCCSQVGLSA-N 0 3 297.301 2.049 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@]3(CC3(F)F)C1)[C@H](O)CO2 ZINC000844756296 640828684 /nfs/dbraw/zinc/82/86/84/640828684.db2.gz JXAHIFUOVGGOAF-OCCSQVGLSA-N 0 3 297.301 2.049 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846008741 641149210 /nfs/dbraw/zinc/14/92/10/641149210.db2.gz OYFRPUFLNOZFJV-UHFFFAOYSA-N 0 3 277.364 2.138 20 10 CECDHN COc1cccc([C@@H](C)NCc2n[nH]c(C3CC3)n2)c1O ZINC000846170601 641211276 /nfs/dbraw/zinc/21/12/76/641211276.db2.gz PHUFXPWECIEKIA-SECBINFHSA-N 0 3 288.351 2.247 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC[C@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000846191235 641217475 /nfs/dbraw/zinc/21/74/75/641217475.db2.gz AZCXFLXMQZNNOY-SIVJFFJCSA-N 0 3 295.354 2.211 20 10 CECDHN CC[C@H]([NH2+][C@@H](CO)CCF)c1ccc(C)cc1[O-] ZINC000846209382 641223093 /nfs/dbraw/zinc/22/30/93/641223093.db2.gz QSKNJFYUWJSZHP-YPMHNXCESA-N 0 3 255.333 2.462 20 10 CECDHN CCN(CC)C(=O)CNCc1ccc(N(CC)CC)cc1 ZINC000068258218 641394342 /nfs/dbraw/zinc/39/43/42/641394342.db2.gz DJCHFFIWSUDVOQ-UHFFFAOYSA-N 0 3 291.439 2.491 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCC(=O)NC2CCCC2)c1 ZINC000182459983 641662359 /nfs/dbraw/zinc/66/23/59/641662359.db2.gz IAYVVRQAIYLRRP-LLVKDONJSA-N 0 3 292.379 2.110 20 10 CECDHN C[C@@H]([NH2+]CCNC(=O)c1ccccc1)c1ccccc1[O-] ZINC000183462851 641743002 /nfs/dbraw/zinc/74/30/02/641743002.db2.gz ABLBDVIBRBUZEC-CYBMUJFWSA-N 0 3 284.359 2.473 20 10 CECDHN Cc1cccc(O)c1CN1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000877499929 650752576 /nfs/dbraw/zinc/75/25/76/650752576.db2.gz MIIJJMBUCOBOPV-CYBMUJFWSA-N 0 3 297.420 2.100 20 10 CECDHN C[C@H](N[C@H]1CCNC1=O)c1ccc(N2CCCCC2)cc1 ZINC000850482171 642727869 /nfs/dbraw/zinc/72/78/69/642727869.db2.gz QFJQABQIZMKRAH-BBRMVZONSA-N 0 3 287.407 2.216 20 10 CECDHN CC[C@H]([NH2+]C[C@H](OC)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000850485158 642728661 /nfs/dbraw/zinc/72/86/61/642728661.db2.gz YCDBVEORJZBNSN-INWMFGNUSA-N 0 3 279.380 2.484 20 10 CECDHN CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850529755 642743352 /nfs/dbraw/zinc/74/33/52/642743352.db2.gz SRANUMIRXQFOQA-FXPVBKGRSA-N 0 3 253.317 2.440 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000922696155 643209142 /nfs/dbraw/zinc/20/91/42/643209142.db2.gz IZWOUTISMIFPHI-HZPDHXFCSA-N 0 3 277.364 2.450 20 10 CECDHN Cc1ccc(CN[C@](C)(CO)c2cccc(O)c2)c(O)c1 ZINC000877648224 650831996 /nfs/dbraw/zinc/83/19/96/650831996.db2.gz MGWWEUVNGZAUFZ-QGZVFWFLSA-N 0 3 287.359 2.404 20 10 CECDHN C[C@H]([NH2+]CC1(N)CCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000854224368 644016714 /nfs/dbraw/zinc/01/67/14/644016714.db2.gz VPIDQDNULMDGDG-JTQLQIEISA-N 0 3 279.340 2.223 20 10 CECDHN CN(C)c1ccc(CN2C[C@H](O)CC(C)(C)C2)cc1F ZINC000877752660 650896264 /nfs/dbraw/zinc/89/62/64/650896264.db2.gz HAPHFPTUGZKVOZ-CYBMUJFWSA-N 0 3 280.387 2.485 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000839187761 644184186 /nfs/dbraw/zinc/18/41/86/644184186.db2.gz NQPZXBXFZYUORA-HIFRSBDPSA-N 0 3 277.364 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000839187761 644184187 /nfs/dbraw/zinc/18/41/87/644184187.db2.gz NQPZXBXFZYUORA-HIFRSBDPSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000877755950 650899111 /nfs/dbraw/zinc/89/91/11/650899111.db2.gz URGYJYUCXKWVKR-JHJVBQTASA-N 0 3 297.420 2.399 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C1CCS(=O)(=O)CC1)c1ccccc1[O-] ZINC000877755430 650899272 /nfs/dbraw/zinc/89/92/72/650899272.db2.gz AXYFYPUTRJKCJI-NWDGAFQWSA-N 0 3 297.420 2.256 20 10 CECDHN COC(=O)c1cc(C[NH2+][C@H](C)c2ccccc2[O-])cn1C ZINC000877755835 650899470 /nfs/dbraw/zinc/89/94/70/650899470.db2.gz OIHNQQSAUJVGSN-LLVKDONJSA-N 0 3 288.347 2.368 20 10 CECDHN Cc1ccc(C[NH2+]CCC[C@H]2CCOC2=O)c([O-])c1 ZINC000877806750 650916695 /nfs/dbraw/zinc/91/66/95/650916695.db2.gz LZEJWJVXUOWXMP-LBPRGKRZSA-N 0 3 263.337 2.134 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2[O-] ZINC000756564905 644667497 /nfs/dbraw/zinc/66/74/97/644667497.db2.gz TZSJZCFFMCNYGZ-SCZZXKLOSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C)C2)c2c1c(F)ccc2[O-] ZINC000756595490 644673656 /nfs/dbraw/zinc/67/36/56/644673656.db2.gz WCEWIJUZSCBAFR-FOGDFJRCSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@H]([NH2+][C@H](CCO)C1CC1)c1cc(F)ccc1[O-] ZINC000756740712 644688600 /nfs/dbraw/zinc/68/86/00/644688600.db2.gz SSJFWUKMVCHBSS-TVQRCGJNSA-N 0 3 253.317 2.343 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000857069004 644810205 /nfs/dbraw/zinc/81/02/05/644810205.db2.gz LHCQLOZRBNIDCS-CYBMUJFWSA-N 0 3 282.771 2.064 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCCOCCO)c2c1c(F)ccc2[O-] ZINC000757637683 644828527 /nfs/dbraw/zinc/82/85/27/644828527.db2.gz MHYVOTFSJPCASI-JQWIXIFHSA-N 0 3 283.343 2.068 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000858297407 645110626 /nfs/dbraw/zinc/11/06/26/645110626.db2.gz CWRYSAZZYQPLPV-CZUORRHYSA-N 0 3 277.364 2.448 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1COCCN1C)c1ccc(C)cc1[O-] ZINC000858522394 645191056 /nfs/dbraw/zinc/19/10/56/645191056.db2.gz DQXVGGSSUCRXDC-DZGCQCFKSA-N 0 3 278.396 2.072 20 10 CECDHN CC[C@H](N[C@@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858578520 645207043 /nfs/dbraw/zinc/20/70/43/645207043.db2.gz JTOREOPWOQPTOA-WFASDCNBSA-N 0 3 293.411 2.202 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000768452752 646125689 /nfs/dbraw/zinc/12/56/89/646125689.db2.gz SJDYXEHMSAXQGJ-HIFRSBDPSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H]1C1CC1)[C@@H](O)CO2 ZINC000768452752 646125692 /nfs/dbraw/zinc/12/56/92/646125692.db2.gz SJDYXEHMSAXQGJ-HIFRSBDPSA-N 0 3 275.348 2.192 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000769451867 646269040 /nfs/dbraw/zinc/26/90/40/646269040.db2.gz NWQDOJBGISCRIS-NWDGAFQWSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000769451867 646269043 /nfs/dbraw/zinc/26/90/43/646269043.db2.gz NWQDOJBGISCRIS-NWDGAFQWSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(CO)CCCC2)c([O-])c1 ZINC000769935718 646336340 /nfs/dbraw/zinc/33/63/40/646336340.db2.gz PRWYCDQNYXYLJD-UHFFFAOYSA-N 0 3 279.380 2.433 20 10 CECDHN COC[C@@]1(C)CN(Cc2cc(C)cc(C)c2O)CCO1 ZINC000863340400 646707626 /nfs/dbraw/zinc/70/76/26/646707626.db2.gz KOPDNFJCFVSRQJ-MRXNPFEDSA-N 0 3 279.380 2.246 20 10 CECDHN CC[C@H](CSC)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773255037 646719880 /nfs/dbraw/zinc/71/98/80/646719880.db2.gz LPXTXZKEUJGROW-BXUZGUMPSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@H](CSC)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773255037 646719885 /nfs/dbraw/zinc/71/98/85/646719885.db2.gz LPXTXZKEUJGROW-BXUZGUMPSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774618129 646868296 /nfs/dbraw/zinc/86/82/96/646868296.db2.gz JTMYCPUDRLTBPU-PSOPSSQASA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000774618129 646868300 /nfs/dbraw/zinc/86/83/00/646868300.db2.gz JTMYCPUDRLTBPU-PSOPSSQASA-N 0 3 277.364 2.438 20 10 CECDHN CCOC[C@H](C)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000778199427 647208868 /nfs/dbraw/zinc/20/88/68/647208868.db2.gz YSNZQMUOTDPSDI-NSHDSACASA-N 0 3 253.342 2.306 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c([O-])c1 ZINC000866412905 647778864 /nfs/dbraw/zinc/77/88/64/647778864.db2.gz NSIGRNMUIKHKCH-KBPBESRZSA-N 0 3 292.423 2.196 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c([O-])c1 ZINC000788533862 648200218 /nfs/dbraw/zinc/20/02/18/648200218.db2.gz DDLIKVBBGZAOIA-HOCLYGCPSA-N 0 3 295.379 2.075 20 10 CECDHN [O-]c1cccnc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000793257894 648732799 /nfs/dbraw/zinc/73/27/99/648732799.db2.gz YMLOVXIBRYMDBS-UHFFFAOYSA-N 0 3 256.305 2.012 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873155919 649573561 /nfs/dbraw/zinc/57/35/61/649573561.db2.gz IJHIKVCNXZYUGX-HUBLWGQQSA-N 0 3 277.364 2.448 20 10 CECDHN COc1ccc(CNCc2cccc(OC)c2O)cn1 ZINC000020186195 649735114 /nfs/dbraw/zinc/73/51/14/649735114.db2.gz JGWVPTVMPOOGCF-UHFFFAOYSA-N 0 3 274.320 2.094 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCCCCC1)c1ccccc1[O-] ZINC000879647761 651335065 /nfs/dbraw/zinc/33/50/65/651335065.db2.gz KHYRAVCADGDWJI-CYBMUJFWSA-N 0 3 276.380 2.445 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)c1ccccc1[O-] ZINC000879651992 651335919 /nfs/dbraw/zinc/33/59/19/651335919.db2.gz SJVNHSIQWOFTHG-OLZOCXBDSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@H](NC(=O)CN(C)C1CCC1)c1ccccc1O ZINC000881441439 651724248 /nfs/dbraw/zinc/72/42/48/651724248.db2.gz WWJIPLRCCJQLKM-NSHDSACASA-N 0 3 262.353 2.054 20 10 CECDHN C[C@H](CO)N[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000129318453 651908736 /nfs/dbraw/zinc/90/87/36/651908736.db2.gz LOSSNBHOFXNTEN-VXGBXAGGSA-N 0 3 298.814 2.208 20 10 CECDHN CC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000130483100 652269243 /nfs/dbraw/zinc/26/92/43/652269243.db2.gz MWRRWUKJODOJHK-CYBMUJFWSA-N 0 3 281.375 2.025 20 10 CECDHN CCN1CCC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882942497 652281122 /nfs/dbraw/zinc/28/11/22/652281122.db2.gz FFWIXSCLHNCOHH-LLVKDONJSA-N 0 3 284.350 2.492 20 10 CECDHN CC(C)C[N@H+](CCN(C)C)Cc1ccccc1[O-] ZINC000132544534 652530990 /nfs/dbraw/zinc/53/09/90/652530990.db2.gz JMQRTJNZKWLCDG-UHFFFAOYSA-N 0 3 250.386 2.412 20 10 CECDHN CC(C)C[N@@H+](CCN(C)C)Cc1ccccc1[O-] ZINC000132544534 652530991 /nfs/dbraw/zinc/53/09/91/652530991.db2.gz JMQRTJNZKWLCDG-UHFFFAOYSA-N 0 3 250.386 2.412 20 10 CECDHN C[NH2+]C[C@@H]1CCCN1Cc1c([O-])cccc1Cl ZINC000133026958 652586685 /nfs/dbraw/zinc/58/66/85/652586685.db2.gz YWMFUAICMHMNGK-JTQLQIEISA-N 0 3 254.761 2.229 20 10 CECDHN CC[C@H]([NH2+]CC(=O)N(CC)CC)c1ccccc1[O-] ZINC000135734443 652984401 /nfs/dbraw/zinc/98/44/01/652984401.db2.gz BADVZWVISFHGCR-ZDUSSCGKSA-N 0 3 264.369 2.301 20 10 CECDHN CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccccc1[O-] ZINC000037138361 815026490 /nfs/dbraw/zinc/02/64/90/815026490.db2.gz ITTVTAZEGLOACK-OAHLLOKOSA-N 0 3 276.380 2.444 20 10 CECDHN COc1ccc(O)c(CNCc2[nH]nc(C)c2C)c1 ZINC000716446862 815124820 /nfs/dbraw/zinc/12/48/20/815124820.db2.gz MEVYRIYCSFHMBG-UHFFFAOYSA-N 0 3 261.325 2.031 20 10 CECDHN Cc1[nH]nc(CNCc2ccc3c(c2)CCO3)c1C ZINC000716494109 815132917 /nfs/dbraw/zinc/13/29/17/815132917.db2.gz RPCLIBOSWLQUDX-UHFFFAOYSA-N 0 3 257.337 2.251 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC2(C1)CCCC[NH2+]2 ZINC001235922239 807893763 /nfs/dbraw/zinc/89/37/63/807893763.db2.gz DGZMBRZAWNDQIG-UHFFFAOYSA-N 0 3 266.772 2.374 20 10 CECDHN COCC(COC)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000388404615 807955508 /nfs/dbraw/zinc/95/55/08/807955508.db2.gz RFKCBCJZTADWPR-NSHDSACASA-N 0 3 253.342 2.013 20 10 CECDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])[C@H]2C)cc1Br ZINC001205201857 808524856 /nfs/dbraw/zinc/52/48/56/808524856.db2.gz NTZBEESKPRISJL-BXKDBHETSA-N 0 3 299.212 2.385 20 10 CECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021340 815269531 /nfs/dbraw/zinc/26/95/31/815269531.db2.gz DCBZMUPJRKOTKY-OAHLLOKOSA-N 0 3 288.391 2.368 20 10 CECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172021340 815269533 /nfs/dbraw/zinc/26/95/33/815269533.db2.gz DCBZMUPJRKOTKY-OAHLLOKOSA-N 0 3 288.391 2.368 20 10 CECDHN C[N@@H+]1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@]2(C)C1 ZINC000702415129 809551395 /nfs/dbraw/zinc/55/13/95/809551395.db2.gz UICDHLQFUFRWTM-DOMZBBRYSA-N 0 3 280.799 2.429 20 10 CECDHN C[N@H+]1C[C@@H]2CN(Cc3cccc(Cl)c3[O-])C[C@]2(C)C1 ZINC000702415129 809551402 /nfs/dbraw/zinc/55/14/02/809551402.db2.gz UICDHLQFUFRWTM-DOMZBBRYSA-N 0 3 280.799 2.429 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])C[C@]2(C)C1 ZINC000702415129 809551406 /nfs/dbraw/zinc/55/14/06/809551406.db2.gz UICDHLQFUFRWTM-DOMZBBRYSA-N 0 3 280.799 2.429 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@]2(C)C1 ZINC000702415129 809551411 /nfs/dbraw/zinc/55/14/11/809551411.db2.gz UICDHLQFUFRWTM-DOMZBBRYSA-N 0 3 280.799 2.429 20 10 CECDHN C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(N(C)C)cc1 ZINC000704370981 809731464 /nfs/dbraw/zinc/73/14/64/809731464.db2.gz JFLJFPXRXNYNAY-DOMZBBRYSA-N 0 3 275.396 2.024 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708480836 809929055 /nfs/dbraw/zinc/92/90/55/809929055.db2.gz MMVBBCIELRXWNJ-QWHCGFSZSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000708480836 809929066 /nfs/dbraw/zinc/92/90/66/809929066.db2.gz MMVBBCIELRXWNJ-QWHCGFSZSA-N 0 3 282.334 2.387 20 10 CECDHN CCN1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708504558 809944430 /nfs/dbraw/zinc/94/44/30/809944430.db2.gz RXVJPUBEMOCDFU-SNVBAGLBSA-N 0 3 270.323 2.102 20 10 CECDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cc3ccccc3cc2[O-])C1 ZINC001169511546 811546696 /nfs/dbraw/zinc/54/66/96/811546696.db2.gz WPAFWWAGMIGVPH-MRXNPFEDSA-N 0 3 284.359 2.256 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691424633 811646315 /nfs/dbraw/zinc/64/63/15/811646315.db2.gz WANOPAFDKRYCHQ-GXTWGEPZSA-N 0 3 251.301 2.188 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cnccn1)CC2 ZINC000390066239 813259201 /nfs/dbraw/zinc/25/92/01/813259201.db2.gz RSYXKKSTCWWAQW-ZDUSSCGKSA-N 0 3 255.321 2.002 20 10 CECDHN CN1CCN(c2ccc(CNC(C)(C)CF)cc2F)CC1 ZINC001116630269 814870116 /nfs/dbraw/zinc/87/01/16/814870116.db2.gz BATTZGGXRGYFMK-UHFFFAOYSA-N 0 3 297.393 2.415 20 10 CECDHN COCC[N@H+](Cc1c([O-])cccc1F)C1CCN(C)CC1 ZINC001137837364 815692667 /nfs/dbraw/zinc/69/26/67/815692667.db2.gz CZJQGDFBTPUIKT-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN COCC[N@@H+](Cc1c([O-])cccc1F)C1CCN(C)CC1 ZINC001137837364 815692675 /nfs/dbraw/zinc/69/26/75/815692675.db2.gz CZJQGDFBTPUIKT-UHFFFAOYSA-N 0 3 296.386 2.074 20 10 CECDHN O=C1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140056405 816178586 /nfs/dbraw/zinc/17/85/86/816178586.db2.gz VWLYPTIJRCPVEL-GXFFZTMASA-N 0 3 263.312 2.332 20 10 CECDHN O=C1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140056405 816178591 /nfs/dbraw/zinc/17/85/91/816178591.db2.gz VWLYPTIJRCPVEL-GXFFZTMASA-N 0 3 263.312 2.332 20 10 CECDHN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140057615 816179859 /nfs/dbraw/zinc/17/98/59/816179859.db2.gz HZVIUZXFDOTWDL-MNOVXSKESA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140057615 816179861 /nfs/dbraw/zinc/17/98/61/816179861.db2.gz HZVIUZXFDOTWDL-MNOVXSKESA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001140058223 816180514 /nfs/dbraw/zinc/18/05/14/816180514.db2.gz VOZXXRDZMKXROE-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001140058223 816180516 /nfs/dbraw/zinc/18/05/16/816180516.db2.gz VOZXXRDZMKXROE-AWEZNQCLSA-N 0 3 251.301 2.286 20 10 CECDHN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140057619 816180796 /nfs/dbraw/zinc/18/07/96/816180796.db2.gz HZVIUZXFDOTWDL-WDEREUQCSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140057619 816180800 /nfs/dbraw/zinc/18/08/00/816180800.db2.gz HZVIUZXFDOTWDL-WDEREUQCSA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001140058447 816181750 /nfs/dbraw/zinc/18/17/50/816181750.db2.gz ZUXLTNMCBXTDCB-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001140058447 816181754 /nfs/dbraw/zinc/18/17/54/816181754.db2.gz ZUXLTNMCBXTDCB-AWEZNQCLSA-N 0 3 271.307 2.218 20 10 CECDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC001140950731 816424219 /nfs/dbraw/zinc/42/42/19/816424219.db2.gz GAEMKPYIYXFUBJ-GXTWGEPZSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])[C@H]1C ZINC001140950731 816424222 /nfs/dbraw/zinc/42/42/22/816424222.db2.gz GAEMKPYIYXFUBJ-GXTWGEPZSA-N 0 3 277.364 2.474 20 10 CECDHN CC[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000125330910 365671204 /nfs/dbraw/zinc/67/12/04/365671204.db2.gz QWFHPSWXGXJYEQ-CQSZACIVSA-N 0 3 289.423 2.101 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000038013623 361981976 /nfs/dbraw/zinc/98/19/76/361981976.db2.gz YKRZPQFRVKIPIC-NEPJUHHUSA-N 0 3 294.395 2.356 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000091899242 344174125 /nfs/dbraw/zinc/17/41/25/344174125.db2.gz LWXZFXDKTSYYTR-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000091899242 344174127 /nfs/dbraw/zinc/17/41/27/344174127.db2.gz LWXZFXDKTSYYTR-OCCSQVGLSA-N 0 3 279.380 2.384 20 10 CECDHN COCCCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185554093 344509548 /nfs/dbraw/zinc/50/95/48/344509548.db2.gz QHZMNCQPNHNMCQ-AWEZNQCLSA-N 0 3 280.412 2.320 20 10 CECDHN CC[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@@H]1O ZINC000271347275 344667240 /nfs/dbraw/zinc/66/72/40/344667240.db2.gz PHTPFWLIDFJDAV-DOMZBBRYSA-N 0 3 266.360 2.094 20 10 CECDHN CCN(CC)c1ccc(CN2CCC[C@H]2C(=O)NC)cc1 ZINC000092100017 364075469 /nfs/dbraw/zinc/07/54/69/364075469.db2.gz RBTAHGIOUGPBHE-INIZCTEOSA-N 0 3 289.423 2.243 20 10 CECDHN COc1cccc(CN2CCC[C@@H](n3cccn3)C2)c1O ZINC000092967974 364125762 /nfs/dbraw/zinc/12/57/62/364125762.db2.gz MHTQBLIHZASCHB-CQSZACIVSA-N 0 3 287.363 2.434 20 10 CECDHN COCCCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000117870618 365128545 /nfs/dbraw/zinc/12/85/45/365128545.db2.gz YCNWIMJDTBCEPN-UHFFFAOYSA-N 0 3 278.396 2.244 20 10 CECDHN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000168825777 367361858 /nfs/dbraw/zinc/36/18/58/367361858.db2.gz CGESFSRWTWESEG-QWRGUYRKSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](OCCO)C2)c1[O-] ZINC000180175926 368370494 /nfs/dbraw/zinc/37/04/94/368370494.db2.gz DTVBOGQKPZLLEV-CQSZACIVSA-N 0 3 299.798 2.327 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OCCO)C2)c1[O-] ZINC000180175926 368370496 /nfs/dbraw/zinc/37/04/96/368370496.db2.gz DTVBOGQKPZLLEV-CQSZACIVSA-N 0 3 299.798 2.327 20 10 CECDHN CC[NH+](CC)[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000179915597 368358603 /nfs/dbraw/zinc/35/86/03/368358603.db2.gz JHTPNUKDYIMTEX-CQSZACIVSA-N 0 3 266.360 2.447 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@]1(O)CCc2ccccc21 ZINC000180849421 368399763 /nfs/dbraw/zinc/39/97/63/368399763.db2.gz PILDVKYLVYQOGD-QGZVFWFLSA-N 0 3 287.334 2.455 20 10 CECDHN Cc1cccc(CN[C@@H](C)C(=O)NCc2ccco2)c1O ZINC000181198116 368430745 /nfs/dbraw/zinc/43/07/45/368430745.db2.gz MQNITEOERYUOMR-LBPRGKRZSA-N 0 3 288.347 2.088 20 10 CECDHN CC[C@@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181290722 368440034 /nfs/dbraw/zinc/44/00/34/368440034.db2.gz QYXSHEHBVDVWSB-MRXNPFEDSA-N 0 3 289.423 2.320 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCN(C(C)C)C1=O)c1ccccc1[O-] ZINC000183338869 368623473 /nfs/dbraw/zinc/62/34/73/368623473.db2.gz IXMMHCNEGPJQQW-KBPBESRZSA-N 0 3 276.380 2.442 20 10 CECDHN Cc1cc(O)c(CN(C)[C@H](C)C[S@](C)=O)cc1C ZINC000187834563 369234042 /nfs/dbraw/zinc/23/40/42/369234042.db2.gz KBHPJRDWIARFGC-XIKOKIGWSA-N 0 3 269.410 2.208 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188828740 369415433 /nfs/dbraw/zinc/41/54/33/369415433.db2.gz NUQQIBWYSALXNZ-DGCLKSJQSA-N 0 3 265.353 2.042 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000230659306 370461325 /nfs/dbraw/zinc/46/13/25/370461325.db2.gz IOPOSMAQGAYLOE-LHLIQPBNSA-N 0 3 267.222 2.105 20 10 CECDHN CC[C@@H](NCc1ccc2c(c1)CCO2)[C@@H](O)C(F)(F)F ZINC000270966524 373037595 /nfs/dbraw/zinc/03/75/95/373037595.db2.gz ILMXHBLJAMGBIY-DGCLKSJQSA-N 0 3 289.297 2.413 20 10 CECDHN Cc1cc([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)cc1C ZINC000366245219 373014081 /nfs/dbraw/zinc/01/40/81/373014081.db2.gz BCOYYRKMBZQISC-ZDUSSCGKSA-N 0 3 261.365 2.477 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000271244785 373185563 /nfs/dbraw/zinc/18/55/63/373185563.db2.gz BTQIQXLTBQMDFW-MRXNPFEDSA-N 0 3 269.344 2.484 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCc2ccccc2[C@H]1CO ZINC000271244785 373185566 /nfs/dbraw/zinc/18/55/66/373185566.db2.gz BTQIQXLTBQMDFW-MRXNPFEDSA-N 0 3 269.344 2.484 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000271315514 373187092 /nfs/dbraw/zinc/18/70/92/373187092.db2.gz XLSMQLXVARTJOZ-YPMHNXCESA-N 0 3 265.353 2.448 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000271315506 373188024 /nfs/dbraw/zinc/18/80/24/373188024.db2.gz XLSMQLXVARTJOZ-DGCLKSJQSA-N 0 3 265.353 2.448 20 10 CECDHN C[C@H]1C[C@H](C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271363234 373189885 /nfs/dbraw/zinc/18/98/85/373189885.db2.gz ISJIDIQYSHVHII-WDEREUQCSA-N 0 3 279.336 2.026 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCO[C@@H](C)C2)cc1OC ZINC000271819345 373203675 /nfs/dbraw/zinc/20/36/75/373203675.db2.gz MOFDNVYTUHSNHT-RYUDHWBXSA-N 0 3 295.379 2.314 20 10 CECDHN CN(C)c1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1F ZINC000272322537 373428691 /nfs/dbraw/zinc/42/86/91/373428691.db2.gz IRCLUYIBASXTLJ-UONOGXRCSA-N 0 3 266.360 2.141 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000272488701 373510962 /nfs/dbraw/zinc/51/09/62/373510962.db2.gz UFWVRASPCQNIPZ-ZIAGYGMSSA-N 0 3 264.344 2.248 20 10 CECDHN Cc1nccn1CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000273607976 373768599 /nfs/dbraw/zinc/76/85/99/373768599.db2.gz UWVPRAYAADYADH-JTQLQIEISA-N 0 3 263.316 2.387 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1C ZINC000273622778 373768787 /nfs/dbraw/zinc/76/87/87/373768787.db2.gz ZPHCFNWUSCOPDM-STQMWFEESA-N 0 3 276.380 2.280 20 10 CECDHN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC000375299754 374651476 /nfs/dbraw/zinc/65/14/76/374651476.db2.gz MQOCKNOTUVPNGR-SFHVURJKSA-N 0 3 294.354 2.488 20 10 CECDHN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC000375299754 374651481 /nfs/dbraw/zinc/65/14/81/374651481.db2.gz MQOCKNOTUVPNGR-SFHVURJKSA-N 0 3 294.354 2.488 20 10 CECDHN CCCOc1ccc(C[NH2+]CC2([S@@](C)=O)CC2)c([O-])c1 ZINC000282296362 375451917 /nfs/dbraw/zinc/45/19/17/375451917.db2.gz JJPXWNMWUCWCRF-HXUWFJFHSA-N 0 3 297.420 2.182 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000282724819 375559764 /nfs/dbraw/zinc/55/97/64/375559764.db2.gz LVJKULUNUOHQCD-MLGOLLRUSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1C ZINC000282724819 375559767 /nfs/dbraw/zinc/55/97/67/375559767.db2.gz LVJKULUNUOHQCD-MLGOLLRUSA-N 0 3 277.364 2.332 20 10 CECDHN CC[C@H](N[C@H](C)C(=O)NCCF)c1ccc(N(C)C)cc1 ZINC000282821458 375584132 /nfs/dbraw/zinc/58/41/32/375584132.db2.gz RTXAMUAZWACFSH-DOMZBBRYSA-N 0 3 295.402 2.268 20 10 CECDHN CCS(=O)(=O)CCN[C@@H](C)c1c(C)cc(C)cc1O ZINC000284221936 375826154 /nfs/dbraw/zinc/82/61/54/375826154.db2.gz UCJBGROARSAXLN-LBPRGKRZSA-N 0 3 285.409 2.094 20 10 CECDHN COC[C@H](C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-])OC ZINC000285115159 375836368 /nfs/dbraw/zinc/83/63/68/375836368.db2.gz KVYFNQKFLXAZEB-OLZOCXBDSA-N 0 3 267.369 2.321 20 10 CECDHN CO[C@@](C)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000291049011 377047850 /nfs/dbraw/zinc/04/78/50/377047850.db2.gz MSFKIPOCTLLRGW-HNNXBMFYSA-N 0 3 279.336 2.026 20 10 CECDHN Cc1cc(CN2CCN(C3CC3)CC2)ccc1N(C)C ZINC000293315567 377517503 /nfs/dbraw/zinc/51/75/03/377517503.db2.gz CATAJGJHGATZJS-UHFFFAOYSA-N 0 3 273.424 2.341 20 10 CECDHN Cc1cc(CN(C)[C@@H](C)C[S@](C)=O)ccc1N(C)C ZINC000294751499 378017071 /nfs/dbraw/zinc/01/70/71/378017071.db2.gz XRDAQTIXPXUOCJ-DJJJIMSYSA-N 0 3 282.453 2.260 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294657402 378003230 /nfs/dbraw/zinc/00/32/30/378003230.db2.gz HDTMNAWOOVPSDG-OLZOCXBDSA-N 0 3 299.436 2.483 20 10 CECDHN CCS(=O)(=O)C[C@@H](C)N[C@@H](C)c1c(C)cc(C)cc1O ZINC000294657402 378003234 /nfs/dbraw/zinc/00/32/34/378003234.db2.gz HDTMNAWOOVPSDG-OLZOCXBDSA-N 0 3 299.436 2.483 20 10 CECDHN O[C@H]1C[C@@H](NCc2ccc(N3CCCCC3)cc2)C1 ZINC000294950697 378031786 /nfs/dbraw/zinc/03/17/86/378031786.db2.gz VXTPEQWMTJEOHI-FZNQNYSPSA-N 0 3 260.381 2.290 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)C(F)F ZINC000294989577 378034228 /nfs/dbraw/zinc/03/42/28/378034228.db2.gz HIMCAUZCVNQYBX-JQWIXIFHSA-N 0 3 259.296 2.195 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)NC(C)(C)C ZINC000295787446 378303678 /nfs/dbraw/zinc/30/36/78/378303678.db2.gz ABDOCUYZBCMXCF-PWSUYJOCSA-N 0 3 276.380 2.272 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1[O-] ZINC000295995769 378385358 /nfs/dbraw/zinc/38/53/58/378385358.db2.gz KNWPXLHBDMUFOW-CKYFFXLPSA-N 0 3 251.326 2.056 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@H]2CCCO2)c([O-])c1 ZINC000527956746 379857230 /nfs/dbraw/zinc/85/72/30/379857230.db2.gz PMJBQZPGRMVPGS-NWANDNLSSA-N 0 3 279.380 2.200 20 10 CECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000529668473 380183327 /nfs/dbraw/zinc/18/33/27/380183327.db2.gz GHOABQDYDPCGAD-LFNDISMMSA-N 0 3 253.317 2.433 20 10 CECDHN CNC(=O)CC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000093588468 394667577 /nfs/dbraw/zinc/66/75/77/394667577.db2.gz LYDQONWAKFEGMY-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN COC(=O)C[C@@H]1CSCCN1Cc1cc(C)ccc1O ZINC000093610806 394669055 /nfs/dbraw/zinc/66/90/55/394669055.db2.gz HFCZHAZNFQEWFU-CYBMUJFWSA-N 0 3 295.404 2.181 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1[O-] ZINC000105488279 394721859 /nfs/dbraw/zinc/72/18/59/394721859.db2.gz CVTWVAOONLZRKT-LBPRGKRZSA-N 0 3 278.396 2.363 20 10 CECDHN CCOc1cccc(C[NH2+][C@@]2(C)CCOC2)c1[O-] ZINC000120180427 394776079 /nfs/dbraw/zinc/77/60/79/394776079.db2.gz OWFTZGWKDGQWPP-AWEZNQCLSA-N 0 3 251.326 2.060 20 10 CECDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@H](C)C1 ZINC000282367587 394917807 /nfs/dbraw/zinc/91/78/07/394917807.db2.gz QCINKKGMFFALDE-ZYHUDNBSSA-N 0 3 279.336 2.120 20 10 CECDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@H](C)C1 ZINC000282367587 394917815 /nfs/dbraw/zinc/91/78/15/394917815.db2.gz QCINKKGMFFALDE-ZYHUDNBSSA-N 0 3 279.336 2.120 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373216911 395057028 /nfs/dbraw/zinc/05/70/28/395057028.db2.gz OZUWPSOJKGAXGY-LSDHHAIUSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000373216911 395057029 /nfs/dbraw/zinc/05/70/29/395057029.db2.gz OZUWPSOJKGAXGY-LSDHHAIUSA-N 0 3 288.391 2.191 20 10 CECDHN CCCC[N@H+](CCCO)Cc1cccc(OC)c1[O-] ZINC000289447121 395077898 /nfs/dbraw/zinc/07/78/98/395077898.db2.gz MSOAWNFLRJGOJN-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCC[N@@H+](CCCO)Cc1cccc(OC)c1[O-] ZINC000289447121 395077900 /nfs/dbraw/zinc/07/79/00/395077900.db2.gz MSOAWNFLRJGOJN-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675385 395085407 /nfs/dbraw/zinc/08/54/07/395085407.db2.gz DBAQEYNJQKLPHJ-WMLDXEAASA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675385 395085413 /nfs/dbraw/zinc/08/54/13/395085413.db2.gz DBAQEYNJQKLPHJ-WMLDXEAASA-N 0 3 289.375 2.476 20 10 CECDHN Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c([O-])c1O ZINC000182563152 395245455 /nfs/dbraw/zinc/24/54/55/395245455.db2.gz RAFQAVPHDPFSKE-RYUDHWBXSA-N 0 3 292.379 2.009 20 10 CECDHN CCOc1ccc(O)c(CN2CCCO[C@H](C)C2)c1 ZINC000179400743 395194088 /nfs/dbraw/zinc/19/40/88/395194088.db2.gz QNCSQZFILJMLMQ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000179400743 395194091 /nfs/dbraw/zinc/19/40/91/395194091.db2.gz QNCSQZFILJMLMQ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000179400743 395194093 /nfs/dbraw/zinc/19/40/93/395194093.db2.gz QNCSQZFILJMLMQ-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1[O-] ZINC000293052752 395215743 /nfs/dbraw/zinc/21/57/43/395215743.db2.gz RRHQFAPPKBDTGE-BLLLJJGKSA-N 0 3 279.380 2.432 20 10 CECDHN C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccccc1[O-] ZINC000183495789 395257967 /nfs/dbraw/zinc/25/79/67/395257967.db2.gz LTVGSFOXOXQTGJ-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293957591 395260383 /nfs/dbraw/zinc/26/03/83/395260383.db2.gz PQCYSGFDQBVRLI-CQSZACIVSA-N 0 3 265.328 2.411 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293957591 395260387 /nfs/dbraw/zinc/26/03/87/395260387.db2.gz PQCYSGFDQBVRLI-CQSZACIVSA-N 0 3 265.328 2.411 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCSCC1)CC2 ZINC000297493335 296593119 /nfs/dbraw/zinc/59/31/19/296593119.db2.gz BNGLPMAYJMJVOM-ZDUSSCGKSA-N 0 3 278.421 2.018 20 10 CECDHN CCN(CC)c1ccc(CNCCNC(=O)C(C)C)cc1 ZINC000020125440 171008546 /nfs/dbraw/zinc/00/85/46/171008546.db2.gz ITBHOLUJIIWGSZ-UHFFFAOYSA-N 0 3 291.439 2.395 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088602 174101734 /nfs/dbraw/zinc/10/17/34/174101734.db2.gz DAXLOCSNWZXRGZ-MNOVXSKESA-N 0 3 252.358 2.002 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H](C)CC(=O)NC)cc1 ZINC000298681869 260161708 /nfs/dbraw/zinc/16/17/08/260161708.db2.gz FMGDTWZKPHCROA-ZDUSSCGKSA-N 0 3 277.412 2.147 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@@H]3CO2)c([O-])c1 ZINC000091666274 260266369 /nfs/dbraw/zinc/26/63/69/260266369.db2.gz AQEPXKZNEPWJBO-RRFJBIMHSA-N 0 3 290.407 2.214 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000300416029 261199630 /nfs/dbraw/zinc/19/96/30/261199630.db2.gz DNUTZQRRQBOVKY-KGLIPLIRSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1ccc(F)cc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300416029 261199633 /nfs/dbraw/zinc/19/96/33/261199633.db2.gz DNUTZQRRQBOVKY-KGLIPLIRSA-N 0 3 264.344 2.248 20 10 CECDHN C[NH+](C)[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000160247132 261209265 /nfs/dbraw/zinc/20/92/65/261209265.db2.gz GUUOXRFPCNYWRI-GFCCVEGCSA-N 0 3 252.333 2.057 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C)cc1OC ZINC000160322387 261210664 /nfs/dbraw/zinc/21/06/64/261210664.db2.gz DYJDQJOQFOIDKQ-JTQLQIEISA-N 0 3 251.326 2.394 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H]2C)cc1OC ZINC000160322387 261210665 /nfs/dbraw/zinc/21/06/65/261210665.db2.gz DYJDQJOQFOIDKQ-JTQLQIEISA-N 0 3 251.326 2.394 20 10 CECDHN CC[C@H](NC1CN(C(=O)OC)C1)c1ccc(N(C)C)cc1 ZINC000181468497 261898459 /nfs/dbraw/zinc/89/84/59/261898459.db2.gz MPQZYTYMYRISPW-HNNXBMFYSA-N 0 3 291.395 2.244 20 10 CECDHN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000185220131 262046143 /nfs/dbraw/zinc/04/61/43/262046143.db2.gz NDLZYQDUEIZHKD-QWRGUYRKSA-N 0 3 251.326 2.070 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)c([O-])c1 ZINC000185639080 262063482 /nfs/dbraw/zinc/06/34/82/262063482.db2.gz WKHGAAJWXDBJEL-BXUZGUMPSA-N 0 3 267.394 2.219 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185193992 262301856 /nfs/dbraw/zinc/30/18/56/262301856.db2.gz CJDXDDNFSSXVLM-LBPRGKRZSA-N 0 3 264.369 2.220 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC)c1 ZINC000185511114 262305926 /nfs/dbraw/zinc/30/59/26/262305926.db2.gz RMNQWWXXRQMGQT-PKFCDNJMSA-N 0 3 285.409 2.164 20 10 CECDHN [O-]c1ccc(F)cc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000226563755 263139046 /nfs/dbraw/zinc/13/90/46/263139046.db2.gz BBPCVFZUAFWMDT-CQSZACIVSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1ccc(F)cc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000226563755 263139047 /nfs/dbraw/zinc/13/90/47/263139047.db2.gz BBPCVFZUAFWMDT-CQSZACIVSA-N 0 3 264.344 2.201 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)C ZINC000296581083 263193366 /nfs/dbraw/zinc/19/33/66/263193366.db2.gz UIUFQWJFQDPGLU-BBRMVZONSA-N 0 3 290.407 2.472 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(F)ccc1[O-] ZINC000368328705 267163228 /nfs/dbraw/zinc/16/32/28/267163228.db2.gz AFKYMBMTESSQJD-IQOUGMIPSA-N 0 3 292.354 2.191 20 10 CECDHN COC(=O)[C@]1(C)CC[N@@H+]([C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794273 267206431 /nfs/dbraw/zinc/20/64/31/267206431.db2.gz ASZNHWVCSUBYRE-BDJLRTHQSA-N 0 3 293.363 2.347 20 10 CECDHN COC(=O)[C@]1(C)CC[N@H+]([C@H](C)c2cc(OC)ccc2[O-])C1 ZINC000368794273 267206435 /nfs/dbraw/zinc/20/64/35/267206435.db2.gz ASZNHWVCSUBYRE-BDJLRTHQSA-N 0 3 293.363 2.347 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000376827697 268022232 /nfs/dbraw/zinc/02/22/32/268022232.db2.gz JKIQRELUPGRZLL-UHFFFAOYSA-N 0 3 287.334 2.151 20 10 CECDHN CC(C)(C)N1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000296275272 275514992 /nfs/dbraw/zinc/51/49/92/275514992.db2.gz CARHCBOTSOTCSF-OLZOCXBDSA-N 0 3 288.391 2.369 20 10 CECDHN CCN1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000295928558 276212814 /nfs/dbraw/zinc/21/28/14/276212814.db2.gz KBDRDXVWLSPIBH-JSGCOSHPSA-N 0 3 260.381 2.311 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCOC1=O)c1ccccc1[O-] ZINC000183312354 327818745 /nfs/dbraw/zinc/81/87/45/327818745.db2.gz GCJUBBOFIQXXCT-ZDUSSCGKSA-N 0 3 278.352 2.275 20 10 CECDHN CC(C)(C)N1CC[C@@](F)(C(=O)NCc2ccccc2O)C1 ZINC000377798281 329030010 /nfs/dbraw/zinc/03/00/10/329030010.db2.gz GNZFRYOACQOWRW-INIZCTEOSA-N 0 3 294.370 2.221 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](CO)(C(C)C)C2)c1 ZINC000378129360 329040872 /nfs/dbraw/zinc/04/08/72/329040872.db2.gz MDDDXJRNMAIRNC-INIZCTEOSA-N 0 3 279.380 2.241 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@](CO)(C(C)C)C2)c1 ZINC000378129360 329040874 /nfs/dbraw/zinc/04/08/74/329040874.db2.gz MDDDXJRNMAIRNC-INIZCTEOSA-N 0 3 279.380 2.241 20 10 CECDHN Cc1nc(C2CC[NH+](Cc3ccccc3[O-])CC2)no1 ZINC000378370697 329047887 /nfs/dbraw/zinc/04/78/87/329047887.db2.gz PJMMRWMGFOQUJK-UHFFFAOYSA-N 0 3 273.336 2.463 20 10 CECDHN C[C@H](NC[C@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000222613615 333197765 /nfs/dbraw/zinc/19/77/65/333197765.db2.gz AKIYLWGJSRBNJG-CABZTGNLSA-N 0 3 276.302 2.326 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1[O-] ZINC000230315836 333316455 /nfs/dbraw/zinc/31/64/55/333316455.db2.gz MCWWLFMFOZJNAV-IUODEOHRSA-N 0 3 263.337 2.058 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000230661623 333319985 /nfs/dbraw/zinc/31/99/85/333319985.db2.gz ZKOJGQVFYWJKMJ-CYBMUJFWSA-N 0 3 280.437 2.400 20 10 CECDHN CCC[C@@H](CCO)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000231391906 333324758 /nfs/dbraw/zinc/32/47/58/333324758.db2.gz FDTGMITVKDLDDA-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CCCOc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC000134194695 334083892 /nfs/dbraw/zinc/08/38/92/334083892.db2.gz QNUAUDVRCHJGNQ-UHFFFAOYSA-N 0 3 265.353 2.403 20 10 CECDHN CCCOc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC000134194695 334083894 /nfs/dbraw/zinc/08/38/94/334083894.db2.gz QNUAUDVRCHJGNQ-UHFFFAOYSA-N 0 3 265.353 2.403 20 10 CECDHN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000278504522 521652424 /nfs/dbraw/zinc/65/24/24/521652424.db2.gz QVIAWUILARNEKL-VLRKGOCCSA-N 0 3 283.343 2.112 20 10 CECDHN CCOc1ccc(O)c(CN(C)C[C@@H]2CCCO2)c1 ZINC000128099541 521140087 /nfs/dbraw/zinc/14/00/87/521140087.db2.gz FPQFMMKXQHAHMC-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCNC(=O)C1(C[NH2+][C@@H](C)c2ccccc2[O-])CCC1 ZINC000277382264 521733438 /nfs/dbraw/zinc/73/34/38/521733438.db2.gz XSMHOHADKGLQCN-LBPRGKRZSA-N 0 3 276.380 2.349 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1[O-])[C@@H]1CCCO1 ZINC000278932152 522759660 /nfs/dbraw/zinc/75/96/60/522759660.db2.gz XNPDJNHJWLQORD-PJODQICGSA-N 0 3 295.379 2.245 20 10 CECDHN CC[C@@H]([NH2+]CCOCCOC)c1ccc(C)cc1[O-] ZINC000279954605 522837657 /nfs/dbraw/zinc/83/76/57/522837657.db2.gz BYWHVLDKRSAGFK-CQSZACIVSA-N 0 3 267.369 2.404 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1ccccc1[O-] ZINC000274879183 522850727 /nfs/dbraw/zinc/85/07/27/522850727.db2.gz HFQFIHIGFJERBE-GDBMZVCRSA-N 0 3 279.380 2.220 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000264695636 523385927 /nfs/dbraw/zinc/38/59/27/523385927.db2.gz IHRSGELUUGZSKG-HNNXBMFYSA-N 0 3 287.359 2.264 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)COc1ccccc1 ZINC000264695636 523385932 /nfs/dbraw/zinc/38/59/32/523385932.db2.gz IHRSGELUUGZSKG-HNNXBMFYSA-N 0 3 287.359 2.264 20 10 CECDHN CN1C[C@@H]([NH2+]Cc2cc(-c3ccccc3)ccc2[O-])CC1=O ZINC000263743802 524012279 /nfs/dbraw/zinc/01/22/79/524012279.db2.gz NYLOTYRUHXBQCE-INIZCTEOSA-N 0 3 296.370 2.380 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000252819197 524227687 /nfs/dbraw/zinc/22/76/87/524227687.db2.gz MTLSXTRHMBKFLG-CZIZLABSSA-N 0 3 255.383 2.200 20 10 CECDHN Cc1ccc([C@@H](C)NCCS(=O)(=O)C(C)C)c(O)c1C ZINC000290012603 525725736 /nfs/dbraw/zinc/72/57/36/525725736.db2.gz BTRXOYIFARWUDG-CYBMUJFWSA-N 0 3 299.436 2.483 20 10 CECDHN COc1cccc(C[NH2+]C[C@@](C)(O)c2ccccc2)c1[O-] ZINC000265182773 526019476 /nfs/dbraw/zinc/01/94/76/526019476.db2.gz WXUFQLWQQBAYCJ-QGZVFWFLSA-N 0 3 287.359 2.398 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291166879 526349449 /nfs/dbraw/zinc/34/94/49/526349449.db2.gz DCNYKDJAUBWRFZ-ZDUSSCGKSA-N 0 3 261.300 2.175 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291166879 526349452 /nfs/dbraw/zinc/34/94/52/526349452.db2.gz DCNYKDJAUBWRFZ-ZDUSSCGKSA-N 0 3 261.300 2.175 20 10 CECDHN CC[N@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])CCC2 ZINC000738099731 574466553 /nfs/dbraw/zinc/46/65/53/574466553.db2.gz PHGRBHLJKLHWKU-UHFFFAOYSA-N 0 3 277.364 2.266 20 10 CECDHN CC[N@@H+](CCC(=O)OC)Cc1cc2c(cc1[O-])CCC2 ZINC000738099731 574466554 /nfs/dbraw/zinc/46/65/54/574466554.db2.gz PHGRBHLJKLHWKU-UHFFFAOYSA-N 0 3 277.364 2.266 20 10 CECDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)CCCCC1 ZINC000732265187 574616400 /nfs/dbraw/zinc/61/64/00/574616400.db2.gz OGKBPJNGNPCZRK-UHFFFAOYSA-N 0 3 282.409 2.448 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@@H+]1CCCC[C@@H]1C ZINC000732271203 574617027 /nfs/dbraw/zinc/61/70/27/574617027.db2.gz QRFLTHLODUJGOC-WDEREUQCSA-N 0 3 282.409 2.446 20 10 CECDHN C[C@H](CNC(=O)c1cc([O-])cs1)[N@H+]1CCCC[C@@H]1C ZINC000732271203 574617030 /nfs/dbraw/zinc/61/70/30/574617030.db2.gz QRFLTHLODUJGOC-WDEREUQCSA-N 0 3 282.409 2.446 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCOC2)c1 ZINC000733328072 574664186 /nfs/dbraw/zinc/66/41/86/574664186.db2.gz RSYVCDCDPIOCIX-OAHLLOKOSA-N 0 3 265.353 2.307 20 10 CECDHN COc1cccc(O)c1CNC[C@H](OC)C(F)(F)F ZINC000733330226 574665031 /nfs/dbraw/zinc/66/50/31/574665031.db2.gz SVTVGKNLSVJGGK-NSHDSACASA-N 0 3 279.258 2.068 20 10 CECDHN C[C@H](O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756572615 574821129 /nfs/dbraw/zinc/82/11/29/574821129.db2.gz NHYWLOHTPRVLCN-QXEWZRGKSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1CC[C@H](C)N1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000741139157 574976875 /nfs/dbraw/zinc/97/68/75/574976875.db2.gz DBBUXIZVWUKJQU-OKILXGFUSA-N 0 3 289.423 2.242 20 10 CECDHN C[C@H](CC(N)=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000749132476 575206764 /nfs/dbraw/zinc/20/67/64/575206764.db2.gz PNLPESIMLGOMIZ-CQSZACIVSA-N 0 3 289.423 2.276 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000725841776 625612582 /nfs/dbraw/zinc/61/25/82/625612582.db2.gz ZKQYHWKQEMNFCM-CYBMUJFWSA-N 0 3 290.363 2.386 20 10 CECDHN CC(C)=CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891256905 623331295 /nfs/dbraw/zinc/33/12/95/623331295.db2.gz BLWFMWBZBMXFAZ-MRXNPFEDSA-N 0 3 289.423 2.438 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)Cc2cnccn2)c([O-])c1 ZINC000725848859 625831287 /nfs/dbraw/zinc/83/12/87/625831287.db2.gz AECCLPNJWZMRJD-GFCCVEGCSA-N 0 3 287.363 2.302 20 10 CECDHN CCOC(C[NH2+][C@H](C)c1ccccc1[O-])OCC ZINC000093447309 628660135 /nfs/dbraw/zinc/66/01/35/628660135.db2.gz SHDDDOBHMPNFQC-LLVKDONJSA-N 0 3 253.342 2.442 20 10 CECDHN CC[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccc(C)cc1[O-] ZINC000794807790 629326550 /nfs/dbraw/zinc/32/65/50/629326550.db2.gz LQWXMJLZNMHVRR-ZBFHGGJFSA-N 0 3 292.423 2.462 20 10 CECDHN COc1cccc(CNCc2cnn(C)c2C2CC2)c1O ZINC000894458420 629472731 /nfs/dbraw/zinc/47/27/31/629472731.db2.gz QXXNQFGJQQPTTI-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN NC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000895004480 629788793 /nfs/dbraw/zinc/78/87/93/629788793.db2.gz QUHSPUTXCABPGV-SFHVURJKSA-N 0 3 296.370 2.021 20 10 CECDHN NC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000895004480 629788799 /nfs/dbraw/zinc/78/87/99/629788799.db2.gz QUHSPUTXCABPGV-SFHVURJKSA-N 0 3 296.370 2.021 20 10 CECDHN COC(=O)[C@H]1[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1(F)F ZINC000895460069 630202585 /nfs/dbraw/zinc/20/25/85/630202585.db2.gz ITSWAJXVJGFKED-UBHAPETDSA-N 0 3 285.290 2.097 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCOC2)c1[O-] ZINC000808708176 631143245 /nfs/dbraw/zinc/14/32/45/631143245.db2.gz IZTVRFNZKCYAAV-YGRLFVJLSA-N 0 3 285.771 2.156 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCc1ccc(N)cc1 ZINC000841037777 632041685 /nfs/dbraw/zinc/04/16/85/632041685.db2.gz XGWZNPUWOMPAKG-UHFFFAOYSA-N 0 3 272.348 2.315 20 10 CECDHN CCN(C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000899101890 632701160 /nfs/dbraw/zinc/70/11/60/632701160.db2.gz NAHVDHRJMMLCTP-HNNXBMFYSA-N 0 3 292.427 2.017 20 10 CECDHN Oc1ccccc1CNCc1cnnn1Cc1ccccc1 ZINC000813771958 632732959 /nfs/dbraw/zinc/73/29/59/632732959.db2.gz NTRSSRKNOFUMOU-UHFFFAOYSA-N 0 3 294.358 2.322 20 10 CECDHN CC[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000813885320 632751459 /nfs/dbraw/zinc/75/14/59/632751459.db2.gz SRANUMIRXQFOQA-QXEWZRGKSA-N 0 3 253.317 2.440 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c([O-])c1 ZINC000815160117 632974680 /nfs/dbraw/zinc/97/46/80/632974680.db2.gz PYONITMESVRFMB-WBMJQRKESA-N 0 3 279.380 2.432 20 10 CECDHN CCCN(Cc1ccccc1O)C(=O)CN1CC[C@H](C)C1 ZINC000816914103 633485713 /nfs/dbraw/zinc/48/57/13/633485713.db2.gz DMXXPPBDBHFXJB-AWEZNQCLSA-N 0 3 290.407 2.473 20 10 CECDHN NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000817587603 633702434 /nfs/dbraw/zinc/70/24/34/633702434.db2.gz ZJPLBJSABZNGNR-UBHSHLNASA-N 0 3 288.391 2.261 20 10 CECDHN C[C@H](NCC[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817934978 633787488 /nfs/dbraw/zinc/78/74/88/633787488.db2.gz RZJUZTGLYHQTMY-LURJTMIESA-N 0 3 293.592 2.417 20 10 CECDHN CC[NH2+]CCCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817943154 633791393 /nfs/dbraw/zinc/79/13/93/633791393.db2.gz JMVGCOUUBXKWHZ-VIFPVBQESA-N 0 3 258.312 2.321 20 10 CECDHN C[C@@H]([NH2+]C[C@H]1CCCCN1)c1ccc(F)cc1[O-] ZINC000817949369 633795200 /nfs/dbraw/zinc/79/52/00/633795200.db2.gz JWHPXMIDSRLWTH-ZYHUDNBSSA-N 0 3 252.333 2.324 20 10 CECDHN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959895 633803638 /nfs/dbraw/zinc/80/36/38/633803638.db2.gz WKGLEXBEOPAZRZ-UFBFGSQYSA-N 0 3 258.312 2.304 20 10 CECDHN CC(C)[C@@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817959895 633803644 /nfs/dbraw/zinc/80/36/44/633803644.db2.gz WKGLEXBEOPAZRZ-UFBFGSQYSA-N 0 3 258.312 2.304 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971045 633814062 /nfs/dbraw/zinc/81/40/62/633814062.db2.gz JPAGBSNVOMMBRB-MWODSPESSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN[C@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000817972657 633815062 /nfs/dbraw/zinc/81/50/62/633815062.db2.gz ZHJVJGDTMADSBO-WCABBAIRSA-N 0 3 270.323 2.462 20 10 CECDHN C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000818615100 633960997 /nfs/dbraw/zinc/96/09/97/633960997.db2.gz LYXGQONQOLCKDC-OASPWFOLSA-N 0 3 279.340 2.221 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[O-] ZINC000822812846 635001130 /nfs/dbraw/zinc/00/11/30/635001130.db2.gz OHEPJQQDASXVIW-AAEUAGOBSA-N 0 3 276.380 2.442 20 10 CECDHN CC[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C)cc1[O-] ZINC000903261268 635034324 /nfs/dbraw/zinc/03/43/24/635034324.db2.gz VNXLZAGMOMIPFT-ORHYLEIMSA-N 0 3 276.380 2.395 20 10 CECDHN CC[C@@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903342011 635069723 /nfs/dbraw/zinc/06/97/23/635069723.db2.gz AREQRFXZVABMNJ-GJZGRUSLSA-N 0 3 290.407 2.080 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000903342995 635070160 /nfs/dbraw/zinc/07/01/60/635070160.db2.gz LVQTXLRGEYTREO-HUUCEWRRSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@@H]([NH2+]CC[C@@](C)(O)COC)c1ccccc1[O-] ZINC000824559321 635450438 /nfs/dbraw/zinc/45/04/38/635450438.db2.gz PEHLQUSATOVNGE-UKRRQHHQSA-N 0 3 267.369 2.220 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1ccccc1[O-] ZINC000825196680 635589372 /nfs/dbraw/zinc/58/93/72/635589372.db2.gz LZFDPVONVZEYGE-UMVBOHGHSA-N 0 3 265.353 2.237 20 10 CECDHN CN(C)c1ccc(/C=C/CN(C)C[C@H]2COCCO2)cc1 ZINC000827140352 636233662 /nfs/dbraw/zinc/23/36/62/636233662.db2.gz KWLSCFYHBPSQJJ-BDUNBXCCSA-N 0 3 290.407 2.113 20 10 CECDHN Cc1cc(Cl)cc(CN2CCC(=O)N(C)CC2)c1O ZINC000827358888 636302673 /nfs/dbraw/zinc/30/26/73/636302673.db2.gz FVVGAOLFBBKHNJ-UHFFFAOYSA-N 0 3 282.771 2.018 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC(=O)N(C)CC2)c1[O-] ZINC000827358888 636302678 /nfs/dbraw/zinc/30/26/78/636302678.db2.gz FVVGAOLFBBKHNJ-UHFFFAOYSA-N 0 3 282.771 2.018 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC(=O)N(C)CC2)c1[O-] ZINC000827358888 636302686 /nfs/dbraw/zinc/30/26/86/636302686.db2.gz FVVGAOLFBBKHNJ-UHFFFAOYSA-N 0 3 282.771 2.018 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000827365025 636304856 /nfs/dbraw/zinc/30/48/56/636304856.db2.gz IZRLVYWALDFTEY-OLZOCXBDSA-N 0 3 297.782 2.447 20 10 CECDHN COc1cc(O)c(CN2CCO[C@H](C)CC2)cc1OC ZINC000905740099 636426621 /nfs/dbraw/zinc/42/66/21/636426621.db2.gz QXBGQQWEHULOGY-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN CC(C)C[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830597975 637107316 /nfs/dbraw/zinc/10/73/16/637107316.db2.gz XFJLRCIXYLBNSC-OAHLLOKOSA-N 0 3 290.407 2.261 20 10 CECDHN COCCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834562667 637868206 /nfs/dbraw/zinc/86/82/06/637868206.db2.gz UYGPOJZGWYVXJM-CABCVRRESA-N 0 3 290.407 2.080 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000834588334 637882615 /nfs/dbraw/zinc/88/26/15/637882615.db2.gz AXOJEIMKPIMJRZ-UONOGXRCSA-N 0 3 277.364 2.165 20 10 CECDHN C[C@H]1CCN(CC[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000834611531 637889862 /nfs/dbraw/zinc/88/98/62/637889862.db2.gz MJHJMRIJJLRFKQ-JSGCOSHPSA-N 0 3 260.381 2.311 20 10 CECDHN CO[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834880484 637976649 /nfs/dbraw/zinc/97/66/49/637976649.db2.gz FWTIHGWCBOWIKO-KCQAQPDRSA-N 0 3 277.364 2.021 20 10 CECDHN COc1ncccc1CNCc1c(C)cccc1O ZINC000876925581 650488487 /nfs/dbraw/zinc/48/84/87/650488487.db2.gz MIPUUIFREAOMAY-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1cc(CNCc2ccc(N(C)C)cc2)ccn1 ZINC000057395089 639444325 /nfs/dbraw/zinc/44/43/25/639444325.db2.gz UZOXONGSMUTKHD-UHFFFAOYSA-N 0 3 271.364 2.446 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000226612769 639556185 /nfs/dbraw/zinc/55/61/85/639556185.db2.gz WRGSLHMGTXPBLZ-MFKMUULPSA-N 0 3 252.333 2.104 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)cc2C)CC1 ZINC000840908523 639581299 /nfs/dbraw/zinc/58/12/99/639581299.db2.gz SFPPKPVSXTYLQR-UHFFFAOYSA-N 0 3 261.413 2.199 20 10 CECDHN Cc1cc(Cl)cc(CNC2(C(=O)N(C)C)CC2)c1O ZINC000840957222 639601679 /nfs/dbraw/zinc/60/16/79/639601679.db2.gz KAIJDTCAHXMESF-UHFFFAOYSA-N 0 3 282.771 2.064 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2(C(=O)N(C)C)CC2)c1[O-] ZINC000840957222 639601684 /nfs/dbraw/zinc/60/16/84/639601684.db2.gz KAIJDTCAHXMESF-UHFFFAOYSA-N 0 3 282.771 2.064 20 10 CECDHN Cc1cc([O-])c(CN2CC[C@H]([NH3+])[C@@H]2C)c(Cl)c1 ZINC000841024778 639620612 /nfs/dbraw/zinc/62/06/12/639620612.db2.gz RSCLCGXITHNNCR-CABZTGNLSA-N 0 3 254.761 2.276 20 10 CECDHN COCc1cnc(CNCCc2ccc(N)cc2)s1 ZINC000841035379 639628137 /nfs/dbraw/zinc/62/81/37/639628137.db2.gz NFYLUHJUCFVQKR-UHFFFAOYSA-N 0 3 277.393 2.204 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(Cl)c1[O-] ZINC000841059272 639636603 /nfs/dbraw/zinc/63/66/03/639636603.db2.gz OYQJRYCULCYWPR-SKDRFNHKSA-N 0 3 254.761 2.133 20 10 CECDHN CC1([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCNCC1 ZINC000841065096 639640662 /nfs/dbraw/zinc/64/06/62/639640662.db2.gz MVLNEOUMGWKNML-UHFFFAOYSA-N 0 3 272.751 2.416 20 10 CECDHN C[NH2+]CCCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000841105076 639682143 /nfs/dbraw/zinc/68/21/43/639682143.db2.gz YSVKEDSUSKBDEB-UHFFFAOYSA-N 0 3 256.777 2.395 20 10 CECDHN CC[C@H]([NH2+]CCc1ccn(C)n1)c1ccccc1[O-] ZINC000229578689 639708715 /nfs/dbraw/zinc/70/87/15/639708715.db2.gz DDKCLFLKVUVEJH-AWEZNQCLSA-N 0 3 259.353 2.409 20 10 CECDHN Cc1nc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])n[nH]1 ZINC000841753985 639858880 /nfs/dbraw/zinc/85/88/80/639858880.db2.gz OWGXGICWCBKZIO-QMMMGPOBSA-N 0 3 280.759 2.365 20 10 CECDHN COCC1(C[NH2+]Cc2ccc(OC)cc2[O-])CCC1 ZINC000311567497 639975392 /nfs/dbraw/zinc/97/53/92/639975392.db2.gz TYPRPELJHPZDIK-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1[O-] ZINC000843353954 640400717 /nfs/dbraw/zinc/40/07/17/640400717.db2.gz RUQGEWPQYLFFLR-PWSUYJOCSA-N 0 3 294.370 2.293 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313017 640673355 /nfs/dbraw/zinc/67/33/55/640673355.db2.gz PQQFNDNHZGFSAY-OCCSQVGLSA-N 0 3 290.363 2.416 20 10 CECDHN CC[N@H+](CCNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000916165787 640739249 /nfs/dbraw/zinc/73/92/49/640739249.db2.gz WZCNSIHEVFWDFU-UHFFFAOYSA-N 0 3 297.374 2.061 20 10 CECDHN CC[N@@H+](CCNC(=O)NCc1c([O-])cccc1F)C(C)C ZINC000916165787 640739253 /nfs/dbraw/zinc/73/92/53/640739253.db2.gz WZCNSIHEVFWDFU-UHFFFAOYSA-N 0 3 297.374 2.061 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000846111492 641185503 /nfs/dbraw/zinc/18/55/03/641185503.db2.gz QBBAGLGFPXXFSH-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000846111492 641185509 /nfs/dbraw/zinc/18/55/09/641185509.db2.gz QBBAGLGFPXXFSH-SECBINFHSA-N 0 3 273.760 2.257 20 10 CECDHN CCC(C)(C)NC(=O)CN[C@H](C)c1cc(OC)ccc1O ZINC000182443465 641661640 /nfs/dbraw/zinc/66/16/40/641661640.db2.gz DDBMNTMBGGIEEE-LLVKDONJSA-N 0 3 294.395 2.356 20 10 CECDHN Cc1ccc(C[NH2+]CCc2cn3c(n2)SCC3)c([O-])c1 ZINC000877395330 650704446 /nfs/dbraw/zinc/70/44/46/650704446.db2.gz XKHOOUJQRLXNKO-UHFFFAOYSA-N 0 3 289.404 2.335 20 10 CECDHN CCOC(=O)C1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877402089 650707567 /nfs/dbraw/zinc/70/75/67/650707567.db2.gz XFELCECGVCMTDS-UHFFFAOYSA-N 0 3 263.337 2.134 20 10 CECDHN CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(C)cc2[O-])C1(C)C ZINC000877459824 650729131 /nfs/dbraw/zinc/72/91/31/650729131.db2.gz LURRYBVYEYLBPF-NVXWUHKLSA-N 0 3 293.407 2.356 20 10 CECDHN CN(C(=[NH2+])NCc1cc(Br)ccc1[O-])C1CC1 ZINC000849027685 642240793 /nfs/dbraw/zinc/24/07/93/642240793.db2.gz DXXZRRXRFVTFOD-UHFFFAOYSA-N 0 3 298.184 2.273 20 10 CECDHN Cc1ccc(CN2CCO[C@]3(CCCOC3)C2)c(O)c1 ZINC000877514347 650759755 /nfs/dbraw/zinc/75/97/55/650759755.db2.gz KHIFFRBFVIOOQD-MRXNPFEDSA-N 0 3 277.364 2.082 20 10 CECDHN Cc1ncc(CNCc2ccc(N(C)C)cc2C)n1C ZINC000850138817 642592159 /nfs/dbraw/zinc/59/21/59/642592159.db2.gz JYLGXGQQUSULGA-UHFFFAOYSA-N 0 3 272.396 2.393 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c([O-])c1 ZINC000850388334 642695900 /nfs/dbraw/zinc/69/59/00/642695900.db2.gz LGNQAVFCSBTWDA-ZDUSSCGKSA-N 0 3 279.380 2.289 20 10 CECDHN Cc1cnc(CC[NH2+]Cc2c(C)cccc2[O-])cn1 ZINC000877577162 650797709 /nfs/dbraw/zinc/79/77/09/650797709.db2.gz AVPQZZYEXQEQKS-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCN(CC(F)F)C2)c([O-])c1 ZINC000877594179 650806395 /nfs/dbraw/zinc/80/63/95/650806395.db2.gz OGLRQHZNZMXQLC-GFCCVEGCSA-N 0 3 270.323 2.130 20 10 CECDHN COC1([C@H](C)[NH2+]Cc2ccc(C)cc2[O-])CCOCC1 ZINC000877598847 650808218 /nfs/dbraw/zinc/80/82/18/650808218.db2.gz UUIGTBZUXSEAHP-ZDUSSCGKSA-N 0 3 279.380 2.374 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@]1(OC(C)C)CCOC1 ZINC000922612214 643162124 /nfs/dbraw/zinc/16/21/24/643162124.db2.gz ZAGHLASQUIXHHR-MRXNPFEDSA-N 0 3 295.379 2.075 20 10 CECDHN CO[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)C1CCOCC1 ZINC000877703095 650859399 /nfs/dbraw/zinc/85/93/99/650859399.db2.gz RFYHVHTYYNKUJA-MRXNPFEDSA-N 0 3 277.364 2.149 20 10 CECDHN CO[C@H](C[N@H+]1Cc2cccc([O-])c2C1)C1CCOCC1 ZINC000877703095 650859404 /nfs/dbraw/zinc/85/94/04/650859404.db2.gz RFYHVHTYYNKUJA-MRXNPFEDSA-N 0 3 277.364 2.149 20 10 CECDHN COC(=O)C(C)(C)CC[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702588 650859710 /nfs/dbraw/zinc/85/97/10/650859710.db2.gz COSAQVCNJCVJAD-UHFFFAOYSA-N 0 3 263.337 2.297 20 10 CECDHN COC(=O)C(C)(C)CC[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702588 650859712 /nfs/dbraw/zinc/85/97/12/650859712.db2.gz COSAQVCNJCVJAD-UHFFFAOYSA-N 0 3 263.337 2.297 20 10 CECDHN COC(=O)C(C)(C)CCN1Cc2cccc(O)c2C1 ZINC000877702588 650859713 /nfs/dbraw/zinc/85/97/13/650859713.db2.gz COSAQVCNJCVJAD-UHFFFAOYSA-N 0 3 263.337 2.297 20 10 CECDHN Cc1cc([O-])c(CN2CC[C@@H](F)[C@H]([NH3+])C2)c(Cl)c1 ZINC000853248745 643722113 /nfs/dbraw/zinc/72/21/13/643722113.db2.gz XXKVQSIOCSDSDL-VXGBXAGGSA-N 0 3 272.751 2.225 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000877728663 650875299 /nfs/dbraw/zinc/87/52/99/650875299.db2.gz RMYOOWVACYJAHE-CQSZACIVSA-N 0 3 291.391 2.376 20 10 CECDHN COc1cccc(CN2CC3(C2)CCCOC3)c1O ZINC000839137682 644171032 /nfs/dbraw/zinc/17/10/32/644171032.db2.gz DTWJAUTXALAYOU-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN Cc1cccc(CNCc2n[nH]c(C(C)(C)C)n2)c1O ZINC000839170738 644179495 /nfs/dbraw/zinc/17/94/95/644179495.db2.gz PLQLXJGIZZHZHV-UHFFFAOYSA-N 0 3 274.368 2.406 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877797366 650913839 /nfs/dbraw/zinc/91/38/39/650913839.db2.gz UPDORBIBUVAWCA-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877797366 650913840 /nfs/dbraw/zinc/91/38/40/650913840.db2.gz UPDORBIBUVAWCA-GFCCVEGCSA-N 0 3 279.380 2.384 20 10 CECDHN CCOC(=O)[C@H](C)C1CN(Cc2ccccc2O)C1 ZINC000877829443 650925383 /nfs/dbraw/zinc/92/53/83/650925383.db2.gz UEUKYLKNNCYLLC-LLVKDONJSA-N 0 3 263.337 2.023 20 10 CECDHN CC(C)C(=O)NCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756371655 644637295 /nfs/dbraw/zinc/63/72/95/644637295.db2.gz MIGASMHWYMTHJX-JQWIXIFHSA-N 0 3 294.370 2.441 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCNC(=O)C2CC2)c2c1c(F)ccc2[O-] ZINC000756372207 644637618 /nfs/dbraw/zinc/63/76/18/644637618.db2.gz PJHWJMILHSPFJP-JOYOIKCWSA-N 0 3 292.354 2.195 20 10 CECDHN C[C@H](Cn1cncn1)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756491082 644654349 /nfs/dbraw/zinc/65/43/49/644654349.db2.gz XVVWQTLKXVDOOH-CKYFFXLPSA-N 0 3 290.342 2.349 20 10 CECDHN COCCOC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756731399 644687203 /nfs/dbraw/zinc/68/72/03/644687203.db2.gz ABWIPSRITWDOPL-GHMZBOCLSA-N 0 3 271.332 2.233 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)c2c1c(F)ccc2[O-] ZINC000756782959 644692339 /nfs/dbraw/zinc/69/23/39/644692339.db2.gz XAJUINANMLSZLO-WPRPVWTQSA-N 0 3 280.343 2.181 20 10 CECDHN CCOc1cncc(C[NH2+]Cc2ccc(OC)cc2[O-])c1 ZINC000857040698 644797220 /nfs/dbraw/zinc/79/72/20/644797220.db2.gz AKFMVIRIDJVQMV-UHFFFAOYSA-N 0 3 288.347 2.484 20 10 CECDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)c1[O-] ZINC000857085803 644813363 /nfs/dbraw/zinc/81/33/63/644813363.db2.gz HTKUGHLCKXYJLU-LRDDRELGSA-N 0 3 292.354 2.047 20 10 CECDHN C[C@H]([NH2+]C1COC(C)(C)OC1)c1ccccc1[O-] ZINC000757697903 644837684 /nfs/dbraw/zinc/83/76/84/644837684.db2.gz NJSDFTLFZQXYAJ-JTQLQIEISA-N 0 3 251.326 2.194 20 10 CECDHN [NH3+][C@]12CCC[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC000857226781 644859267 /nfs/dbraw/zinc/85/92/67/644859267.db2.gz ZDCRWAFHPONXSD-YGRLFVJLSA-N 0 3 266.772 2.359 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC(C)(C)O ZINC000878152209 651014864 /nfs/dbraw/zinc/01/48/64/651014864.db2.gz WFJVDIIRPTYFEF-AWEZNQCLSA-N 0 3 281.396 2.126 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC(C)(C)O ZINC000878152209 651014868 /nfs/dbraw/zinc/01/48/68/651014868.db2.gz WFJVDIIRPTYFEF-AWEZNQCLSA-N 0 3 281.396 2.126 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC1(CO)CCCC1 ZINC000878241301 651043721 /nfs/dbraw/zinc/04/37/21/651043721.db2.gz DPQMTWTWTRYXBF-OAHLLOKOSA-N 0 3 293.407 2.128 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)CC1(CO)CCCC1 ZINC000878241301 651043725 /nfs/dbraw/zinc/04/37/25/651043725.db2.gz DPQMTWTWTRYXBF-OAHLLOKOSA-N 0 3 293.407 2.128 20 10 CECDHN C[C@H](NCc1ccc(C(N)=O)nc1)c1ccc(N(C)C)cc1 ZINC000766531594 645899539 /nfs/dbraw/zinc/89/95/39/645899539.db2.gz PGKGHBBOEYHULA-LBPRGKRZSA-N 0 3 298.390 2.097 20 10 CECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC1 ZINC000768447986 646124319 /nfs/dbraw/zinc/12/43/19/646124319.db2.gz SMYDJOAJWDLMRD-AWEZNQCLSA-N 0 3 263.337 2.050 20 10 CECDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC1 ZINC000768447986 646124322 /nfs/dbraw/zinc/12/43/22/646124322.db2.gz SMYDJOAJWDLMRD-AWEZNQCLSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc([O-])c1C[N@H+](CCO)CC(C)(C)C ZINC000769337845 646248354 /nfs/dbraw/zinc/24/83/54/646248354.db2.gz KPAXTUNVIJZYKG-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](CCO)CC(C)(C)C ZINC000769337845 646248359 /nfs/dbraw/zinc/24/83/59/646248359.db2.gz KPAXTUNVIJZYKG-UHFFFAOYSA-N 0 3 267.369 2.241 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000769451869 646268951 /nfs/dbraw/zinc/26/89/51/646268951.db2.gz NWQDOJBGISCRIS-RYUDHWBXSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000769451869 646268956 /nfs/dbraw/zinc/26/89/56/646268956.db2.gz NWQDOJBGISCRIS-RYUDHWBXSA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCSC[C@H]2CCO)c([O-])c1 ZINC000770307972 646378297 /nfs/dbraw/zinc/37/82/97/646378297.db2.gz WTJNRASQOZOEFH-CYBMUJFWSA-N 0 3 297.420 2.091 20 10 CECDHN CCOc1ccc(C[N@H+]2CCSC[C@H]2CCO)c([O-])c1 ZINC000770307972 646378304 /nfs/dbraw/zinc/37/83/04/646378304.db2.gz WTJNRASQOZOEFH-CYBMUJFWSA-N 0 3 297.420 2.091 20 10 CECDHN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000775131919 646926098 /nfs/dbraw/zinc/92/60/98/646926098.db2.gz ZBZFPGAZWMYBNI-LBPRGKRZSA-N 0 3 297.420 2.258 20 10 CECDHN C[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1[O-])C(N)=O ZINC000775199494 646929642 /nfs/dbraw/zinc/92/96/42/646929642.db2.gz DRRYYILDHXAABN-LLVKDONJSA-N 0 3 270.332 2.023 20 10 CECDHN CC(C)N(C)CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775409332 646951722 /nfs/dbraw/zinc/95/17/22/646951722.db2.gz FMWLVVHFCZNKPN-CYBMUJFWSA-N 0 3 277.412 2.270 20 10 CECDHN C[C@H]1[C@H](C)N(Cc2ccc(N(C)C)c(F)c2)CCN1C ZINC000775983997 647013429 /nfs/dbraw/zinc/01/34/29/647013429.db2.gz DUPKMDNQPNSEJR-STQMWFEESA-N 0 3 279.403 2.416 20 10 CECDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000779106257 647288708 /nfs/dbraw/zinc/28/87/08/647288708.db2.gz BACBXJKHLVUVNG-IINYFYTJSA-N 0 3 253.317 2.436 20 10 CECDHN C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CC[C@@H]1O ZINC000779199676 647297384 /nfs/dbraw/zinc/29/73/84/647297384.db2.gz GNAVBVNNGDFXOH-NHYWBVRUSA-N 0 3 266.360 2.094 20 10 CECDHN Oc1ccc(F)cc1CN1CCC(O)(C(F)F)CC1 ZINC000779209732 647298075 /nfs/dbraw/zinc/29/80/75/647298075.db2.gz ZTFDYFPDSYXYOE-UHFFFAOYSA-N 0 3 275.270 2.123 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H](O)C(F)(F)F ZINC000865710587 647432329 /nfs/dbraw/zinc/43/23/29/647432329.db2.gz CBZYKNXSRQOMEQ-BXKDBHETSA-N 0 3 276.302 2.154 20 10 CECDHN CCOc1ccc(O)c(CN[C@H](C)[C@H](O)C(F)(F)F)c1 ZINC000865712128 647435232 /nfs/dbraw/zinc/43/52/32/647435232.db2.gz XEBUDRZUSRFIDP-PELKAZGASA-N 0 3 293.285 2.192 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780892561 647478159 /nfs/dbraw/zinc/47/81/59/647478159.db2.gz LMXJPXRDSUUMQH-OLZOCXBDSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780892561 647478161 /nfs/dbraw/zinc/47/81/61/647478161.db2.gz LMXJPXRDSUUMQH-OLZOCXBDSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000784667832 647873504 /nfs/dbraw/zinc/87/35/04/647873504.db2.gz MDOWUUKXESGVFV-IAQYHMDHSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000784667832 647873507 /nfs/dbraw/zinc/87/35/07/647873507.db2.gz MDOWUUKXESGVFV-IAQYHMDHSA-N 0 3 265.353 2.258 20 10 CECDHN CCOc1cccc(CN(CCOC)[C@@H]2CCOC2)c1O ZINC000787333801 648100896 /nfs/dbraw/zinc/10/08/96/648100896.db2.gz CDMYPLUQQNLIBW-CQSZACIVSA-N 0 3 295.379 2.028 20 10 CECDHN COc1ccc(CNCc2cc(OC)cc(C)n2)c(O)c1 ZINC000793386048 648749094 /nfs/dbraw/zinc/74/90/94/648749094.db2.gz IEJNVUQBSFNZTH-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN [NH3+]C[C@H]1CN(Cc2cccc(F)c2[O-])C[C@@H]1C(F)(F)F ZINC000873226930 649598369 /nfs/dbraw/zinc/59/83/69/649598369.db2.gz ABMHWWKKIKRCJB-UWVGGRQHSA-N 0 3 292.276 2.100 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)c1ccccc1[O-] ZINC000879650354 651335791 /nfs/dbraw/zinc/33/57/91/651335791.db2.gz WOKPIVNGZWZQCT-OLZOCXBDSA-N 0 3 279.380 2.099 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CC1(CO)CCCC1)c1ccccc1[O-] ZINC000879650216 651335819 /nfs/dbraw/zinc/33/58/19/651335819.db2.gz PZKBAANYHMVHOY-KBPBESRZSA-N 0 3 293.407 2.347 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NCC(F)(F)F ZINC000879651921 651336081 /nfs/dbraw/zinc/33/60/81/651336081.db2.gz PFPFIZLKWUJDDJ-DTWKUNHWSA-N 0 3 290.285 2.110 20 10 CECDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[C@@H]1[NH3+] ZINC000128350537 651422778 /nfs/dbraw/zinc/42/27/78/651422778.db2.gz CGBVNTLKENAFBZ-SKDRFNHKSA-N 0 3 254.761 2.215 20 10 CECDHN C[C@@H](NCc1ccc(N2CCN(C)CC2)cc1)c1ncc[nH]1 ZINC000883290202 652424152 /nfs/dbraw/zinc/42/41/52/652424152.db2.gz NWZCPBSUWYIATI-CQSZACIVSA-N 0 3 299.422 2.012 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884193679 652747932 /nfs/dbraw/zinc/74/79/32/652747932.db2.gz MNLUJSCBIZIMPC-MRXNPFEDSA-N 0 3 289.423 2.276 20 10 CECDHN N[C@@H](CC1CC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000884193391 652748076 /nfs/dbraw/zinc/74/80/76/652748076.db2.gz FEMHDBBKMRLGOW-INIZCTEOSA-N 0 3 287.407 2.030 20 10 CECDHN N[C@H](CC1CC1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000884315052 652792310 /nfs/dbraw/zinc/79/23/10/652792310.db2.gz FBCFXGWDPSXPRK-OAHLLOKOSA-N 0 3 288.391 2.015 20 10 CECDHN COC(=O)CC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059138 802550844 /nfs/dbraw/zinc/55/08/44/802550844.db2.gz UUUGIRKXIOJWNN-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN COC(=O)CC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059138 802550849 /nfs/dbraw/zinc/55/08/49/802550849.db2.gz UUUGIRKXIOJWNN-NSHDSACASA-N 0 3 281.327 2.306 20 10 CECDHN COc1ccc(C[NH2+]CC2(OC)CCCC2)c([O-])c1 ZINC000382277303 803272481 /nfs/dbraw/zinc/27/24/81/803272481.db2.gz QQDLWYANJOTXMJ-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN C[C@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1[O-] ZINC000036902833 814941425 /nfs/dbraw/zinc/94/14/25/814941425.db2.gz PBRQMYKBZZQFFL-NSHDSACASA-N 0 3 270.332 2.342 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)OCO2 ZINC000694319092 803530830 /nfs/dbraw/zinc/53/08/30/803530830.db2.gz HPNHETPASCCCKH-ADEWGFFLSA-N 0 3 261.321 2.399 20 10 CECDHN COC[C@@H](CC[NH2+][C@@H](C)c1ccc(C)cc1[O-])OC ZINC000694314619 803530862 /nfs/dbraw/zinc/53/08/62/803530862.db2.gz YUGPHVOOLIYGMD-QWHCGFSZSA-N 0 3 267.369 2.403 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1=O)c1ccccc1[O-] ZINC000722362086 804383546 /nfs/dbraw/zinc/38/35/46/804383546.db2.gz XCWNRRRNTFHBIH-ZIAGYGMSSA-N 0 3 276.380 2.444 20 10 CECDHN Cc1nn(CCO)c(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC001119303608 815086484 /nfs/dbraw/zinc/08/64/84/815086484.db2.gz DXIUAMSYQWJNDA-LLVKDONJSA-N 0 3 289.379 2.049 20 10 CECDHN CCCNC(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037280109 815134545 /nfs/dbraw/zinc/13/45/45/815134545.db2.gz MHRTTXYDYOHOHE-CHWSQXEVSA-N 0 3 277.412 2.318 20 10 CECDHN COc1cc(C)c(C[NH+]2CC([C@H](C)OC)C2)c([O-])c1 ZINC001236812600 808168239 /nfs/dbraw/zinc/16/82/39/808168239.db2.gz CAZVJGLCRGOXRB-NSHDSACASA-N 0 3 265.353 2.176 20 10 CECDHN Cc1cc(F)cc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c1[O-] ZINC001238056166 808291638 /nfs/dbraw/zinc/29/16/38/808291638.db2.gz FATOEBGZGVHXPG-RYUDHWBXSA-N 0 3 267.344 2.433 20 10 CECDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c1[O-] ZINC001238056166 808291646 /nfs/dbraw/zinc/29/16/46/808291646.db2.gz FATOEBGZGVHXPG-RYUDHWBXSA-N 0 3 267.344 2.433 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C(=O)C1)c1ccccc1[O-] ZINC001172003191 815261858 /nfs/dbraw/zinc/26/18/58/815261858.db2.gz SQVVFLJUQZVSDN-NWDGAFQWSA-N 0 3 274.364 2.196 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000704340975 809730223 /nfs/dbraw/zinc/73/02/23/809730223.db2.gz OBJGAYDPIOWPRV-OLZOCXBDSA-N 0 3 262.353 2.054 20 10 CECDHN Cc1cc(C)c(C[NH2+][C@H]2CCN3C(=O)CC[C@H]3C2)c([O-])c1 ZINC001172163230 815325913 /nfs/dbraw/zinc/32/59/13/815325913.db2.gz UUAORNWVWBIZHC-KBPBESRZSA-N 0 3 288.391 2.252 20 10 CECDHN CCc1cccc(C[NH2+]CC(C)(C)CCO)c1[O-] ZINC000691493915 811960783 /nfs/dbraw/zinc/96/07/83/811960783.db2.gz MBGSFKVGHWUIKP-UHFFFAOYSA-N 0 3 251.370 2.453 20 10 CECDHN COC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(O)c2[O-])CC1 ZINC001172777337 815518646 /nfs/dbraw/zinc/51/86/46/815518646.db2.gz PRSODUAFJGSOCW-YPMHNXCESA-N 0 3 293.363 2.309 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(Cl)cc(OC)c1[O-])[C@H](C)O ZINC000386742852 813188661 /nfs/dbraw/zinc/18/86/61/813188661.db2.gz YVRSUHPZBSMSIU-GZMMTYOYSA-N 0 3 273.760 2.303 20 10 CECDHN CCOc1cccc(CN[C@H](C)c2n[nH]c(C)n2)c1O ZINC000392439875 813303832 /nfs/dbraw/zinc/30/38/32/813303832.db2.gz AKKAWGVMYQQWJL-SECBINFHSA-N 0 3 276.340 2.068 20 10 CECDHN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000394073299 813335941 /nfs/dbraw/zinc/33/59/41/813335941.db2.gz RTLVYMFYGKOFGO-WDEREUQCSA-N 0 3 255.333 2.446 20 10 CECDHN CC1(C)CN(Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000396116486 813558986 /nfs/dbraw/zinc/55/89/86/813558986.db2.gz RNUXQFGQGHZGLP-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN Cc1ncc(CNCc2ccc(N(C)C)cc2)n1C ZINC000689718179 814052842 /nfs/dbraw/zinc/05/28/42/814052842.db2.gz JLMISPNWDQYXHY-UHFFFAOYSA-N 0 3 258.369 2.084 20 10 CECDHN CCOC(=O)C1CCN(Cc2ccc(O)c(C)c2O)CC1 ZINC001140744279 816340101 /nfs/dbraw/zinc/34/01/01/816340101.db2.gz RTDBJFFFYNAOJX-UHFFFAOYSA-N 0 3 293.363 2.181 20 10 CECDHN CN(C)c1ccc(CN2CCN3CC[C@H]3C2)c(Cl)c1 ZINC001140926614 816412503 /nfs/dbraw/zinc/41/25/03/816412503.db2.gz PBTFNXKERPVNKJ-AWEZNQCLSA-N 0 3 279.815 2.296 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950930 816424231 /nfs/dbraw/zinc/42/42/31/816424231.db2.gz PMDNJVFKVGYXJV-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950930 816424233 /nfs/dbraw/zinc/42/42/33/816424233.db2.gz PMDNJVFKVGYXJV-OCCSQVGLSA-N 0 3 277.364 2.332 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954072 816424361 /nfs/dbraw/zinc/42/43/61/816424361.db2.gz KQCUYPDIZXMPHZ-HIFRSBDPSA-N 0 3 288.391 2.143 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C)C2)c([O-])c1 ZINC001140954072 816424362 /nfs/dbraw/zinc/42/43/62/816424362.db2.gz KQCUYPDIZXMPHZ-HIFRSBDPSA-N 0 3 288.391 2.143 20 10 CECDHN COCC[N@H+](Cc1c([O-])cc(OC)cc1OC)C(C)C ZINC001141028365 816449223 /nfs/dbraw/zinc/44/92/23/816449223.db2.gz LZVUCJHLRPXQTD-UHFFFAOYSA-N 0 3 283.368 2.266 20 10 CECDHN COCC[N@@H+](Cc1c([O-])cc(OC)cc1OC)C(C)C ZINC001141028365 816449224 /nfs/dbraw/zinc/44/92/24/816449224.db2.gz LZVUCJHLRPXQTD-UHFFFAOYSA-N 0 3 283.368 2.266 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(OC)c1 ZINC001141026553 816449310 /nfs/dbraw/zinc/44/93/10/816449310.db2.gz UVDWXBPWPGJDDB-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@]3(CCCO3)C2)c(OC)c1 ZINC001141026553 816449312 /nfs/dbraw/zinc/44/93/12/816449312.db2.gz UVDWXBPWPGJDDB-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN CCN(CCC[NH+](C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142530265 816680831 /nfs/dbraw/zinc/68/08/31/816680831.db2.gz BHHKRPAAGFYTTM-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN COc1ccc(CN[C@H](C)CC[S@](C)=O)cc1C ZINC000125440603 365675988 /nfs/dbraw/zinc/67/59/88/365675988.db2.gz KJKXJVQYPUQIOI-KZULUSFZSA-N 0 3 269.410 2.250 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000039353605 361988921 /nfs/dbraw/zinc/98/89/21/361988921.db2.gz OSFKCEOCOBZTEK-LBPRGKRZSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000039353605 361988927 /nfs/dbraw/zinc/98/89/27/361988927.db2.gz OSFKCEOCOBZTEK-LBPRGKRZSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000039353606 361989399 /nfs/dbraw/zinc/98/93/99/361989399.db2.gz OSFKCEOCOBZTEK-GFCCVEGCSA-N 0 3 257.337 2.495 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000039353606 361989402 /nfs/dbraw/zinc/98/94/02/361989402.db2.gz OSFKCEOCOBZTEK-GFCCVEGCSA-N 0 3 257.337 2.495 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000205817412 539285933 /nfs/dbraw/zinc/28/59/33/539285933.db2.gz DPJOCVMDISYAFP-ZDUSSCGKSA-N 0 3 267.369 2.288 20 10 CECDHN CC[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1O ZINC000271347279 344667296 /nfs/dbraw/zinc/66/72/96/344667296.db2.gz PHTPFWLIDFJDAV-SWLSCSKDSA-N 0 3 266.360 2.094 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000076274268 363532799 /nfs/dbraw/zinc/53/27/99/363532799.db2.gz WJWKBOPZOTXACV-LLVKDONJSA-N 0 3 271.744 2.323 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(F)ccc1[O-] ZINC000094618486 364284359 /nfs/dbraw/zinc/28/43/59/364284359.db2.gz VZBKCRZSEROYNE-YUTCNCBUSA-N 0 3 294.370 2.045 20 10 CECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCS1 ZINC000171606457 367577763 /nfs/dbraw/zinc/57/77/63/367577763.db2.gz RAKQFHNCULYSNI-SECBINFHSA-N 0 3 267.350 2.058 20 10 CECDHN COC(=O)CC[N@@H+](Cc1cc(OC)ccc1[O-])CC(C)C ZINC000179764302 368350766 /nfs/dbraw/zinc/35/07/66/368350766.db2.gz PWQQAPBYFQHTFY-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN COC(=O)CC[N@H+](Cc1cc(OC)ccc1[O-])CC(C)C ZINC000179764302 368350768 /nfs/dbraw/zinc/35/07/68/368350768.db2.gz PWQQAPBYFQHTFY-UHFFFAOYSA-N 0 3 295.379 2.422 20 10 CECDHN C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cc(F)ccc1[O-] ZINC000185361771 368797267 /nfs/dbraw/zinc/79/72/67/368797267.db2.gz HYKQSQPOHCSSIV-LBPRGKRZSA-N 0 3 296.386 2.293 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)cc2)C[C@H]1C ZINC000188115594 369299825 /nfs/dbraw/zinc/29/98/25/369299825.db2.gz IIFVBKSXUCDAOR-CJNGLKHVSA-N 0 3 290.407 2.384 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188828718 369415336 /nfs/dbraw/zinc/41/53/36/369415336.db2.gz NUQQIBWYSALXNZ-AAEUAGOBSA-N 0 3 265.353 2.042 20 10 CECDHN COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000191672362 369732569 /nfs/dbraw/zinc/73/25/69/369732569.db2.gz PIEHNMUCQYYQEJ-VHDGCEQUSA-N 0 3 289.375 2.474 20 10 CECDHN CCCOc1ccc(C[NH2+]CCCCO)c([O-])c1 ZINC000193254425 369913008 /nfs/dbraw/zinc/91/30/08/369913008.db2.gz JPSUCDMVXIGLRR-UHFFFAOYSA-N 0 3 253.342 2.043 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000226618163 370348668 /nfs/dbraw/zinc/34/86/68/370348668.db2.gz VCKXSESNABGUED-GXTWGEPZSA-N 0 3 251.301 2.188 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1ccccc1O ZINC000248842806 371254516 /nfs/dbraw/zinc/25/45/16/371254516.db2.gz OLLPWFIICXHRQE-LNSITVRQSA-N 0 3 275.348 2.166 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1cccc(C)c1O ZINC000248846960 371255618 /nfs/dbraw/zinc/25/56/18/371255618.db2.gz PIEHNMUCQYYQEJ-CFVMTHIKSA-N 0 3 289.375 2.474 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCO)cc1F ZINC000271004831 373060109 /nfs/dbraw/zinc/06/01/09/373060109.db2.gz MTMRPUHPKXSWSH-UHFFFAOYSA-N 0 3 254.349 2.096 20 10 CECDHN COC[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)C1 ZINC000271158845 373152202 /nfs/dbraw/zinc/15/22/02/373152202.db2.gz DZNYRJVYXQAKJB-ZDUSSCGKSA-N 0 3 266.360 2.360 20 10 CECDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])[C@H](O)C(F)(F)F ZINC000271767597 373200112 /nfs/dbraw/zinc/20/01/12/373200112.db2.gz ATHKFBSDFUCPKD-PWSUYJOCSA-N 0 3 277.286 2.492 20 10 CECDHN COc1ccc(O)c(CN[C@@H](CO)c2ccc(F)cc2)c1 ZINC000271798415 373200504 /nfs/dbraw/zinc/20/05/04/373200504.db2.gz IIMDSONRZDQSOP-HNNXBMFYSA-N 0 3 291.322 2.363 20 10 CECDHN Cc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1[O-] ZINC000271766378 373201434 /nfs/dbraw/zinc/20/14/34/373201434.db2.gz AJCZJWDQZMLJKM-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN Cc1cccc(CNC[C@](C)(O)C(F)(F)F)c1O ZINC000271766378 373201438 /nfs/dbraw/zinc/20/14/38/373201438.db2.gz AJCZJWDQZMLJKM-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN COc1ccc(O)c(CN(CCO)Cc2ccccc2)c1 ZINC000271824815 373203844 /nfs/dbraw/zinc/20/38/44/373203844.db2.gz PTKDAARCQVICOR-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN CC(C)C(=O)NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000272303879 373418442 /nfs/dbraw/zinc/41/84/42/373418442.db2.gz QESHQMRZOCQDBX-UHFFFAOYSA-N 0 3 294.370 2.268 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c1 ZINC000273359265 373754177 /nfs/dbraw/zinc/75/41/77/373754177.db2.gz ACUFWHADJCXYEG-VXGBXAGGSA-N 0 3 260.341 2.031 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+][C@@]1(CO)CCOC1 ZINC000273484623 373760537 /nfs/dbraw/zinc/76/05/37/373760537.db2.gz LWDXVMQTAQPRKP-GOSISDBHSA-N 0 3 299.370 2.300 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374998458 374638377 /nfs/dbraw/zinc/63/83/77/374638377.db2.gz NLLQCFMNIJXDMZ-CHWSQXEVSA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000374998458 374638382 /nfs/dbraw/zinc/63/83/82/374638382.db2.gz NLLQCFMNIJXDMZ-CHWSQXEVSA-N 0 3 277.364 2.259 20 10 CECDHN CC[C@H]([NH2+][C@@H](CO)CCOC)c1ccc(C)cc1[O-] ZINC000281764880 375396481 /nfs/dbraw/zinc/39/64/81/375396481.db2.gz WOSIHVKHGAQDNI-OCCSQVGLSA-N 0 3 267.369 2.139 20 10 CECDHN CN(C)CCN(C(=O)C=Cc1c[nH]cn1)c1ccccc1 ZINC000283351018 375695642 /nfs/dbraw/zinc/69/56/42/375695642.db2.gz COCLXGOTDBOJTA-CMDGGOBGSA-N 0 3 284.363 2.018 20 10 CECDHN Cn1nccc1C1=CC[N@H+](Cc2ccccc2[O-])CC1 ZINC000289072693 376387245 /nfs/dbraw/zinc/38/72/45/376387245.db2.gz AJICDKCIQXJQRL-UHFFFAOYSA-N 0 3 269.348 2.415 20 10 CECDHN Cn1nccc1C1=CC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000289072693 376387252 /nfs/dbraw/zinc/38/72/52/376387252.db2.gz AJICDKCIQXJQRL-UHFFFAOYSA-N 0 3 269.348 2.415 20 10 CECDHN COc1cc([O-])c(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1OC ZINC000289236822 376389220 /nfs/dbraw/zinc/38/92/20/376389220.db2.gz DJZGRXNPDOVMEI-NWDGAFQWSA-N 0 3 295.379 2.172 20 10 CECDHN CC(=O)N1CCCN(Cc2ccc(N(C)C)c(C)c2)CC1 ZINC000293597901 377648438 /nfs/dbraw/zinc/64/84/38/377648438.db2.gz UXPMBXOXQPKAEU-UHFFFAOYSA-N 0 3 289.423 2.115 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](OC)C2CC2)c1 ZINC000293602201 377650294 /nfs/dbraw/zinc/65/02/94/377650294.db2.gz DMUSMZHDSNKPMH-BONVTDFDSA-N 0 3 265.353 2.476 20 10 CECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)F ZINC000294993164 378034173 /nfs/dbraw/zinc/03/41/73/378034173.db2.gz HULLJVVLQXNGGL-GXSJLCMTSA-N 0 3 263.259 2.026 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2CCCNC2=O)cc1F ZINC000295129669 378043436 /nfs/dbraw/zinc/04/34/36/378043436.db2.gz XVIFUSIYFHOLAG-AWEZNQCLSA-N 0 3 293.386 2.040 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC2(OC)CCCC2)cc1OC ZINC000295582835 378222962 /nfs/dbraw/zinc/22/29/62/378222962.db2.gz BOUIQXOUPMCGEA-UHFFFAOYSA-N 0 3 295.379 2.458 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000529640769 380181478 /nfs/dbraw/zinc/18/14/78/380181478.db2.gz DJDVMHAUUDEKND-ABAIWWIYSA-N 0 3 263.337 2.058 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000272513069 285384855 /nfs/dbraw/zinc/38/48/55/285384855.db2.gz XGQDJFSQQDMZLH-CYBMUJFWSA-N 0 3 281.327 2.307 20 10 CECDHN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CN(C)C)c1 ZINC000293651312 292014137 /nfs/dbraw/zinc/01/41/37/292014137.db2.gz LHVCMJMHDKWDNB-RYUDHWBXSA-N 0 3 294.395 2.027 20 10 CECDHN CCCN(CC(=O)N(C)C)Cc1cc(C)c(C)cc1O ZINC000122034048 394808051 /nfs/dbraw/zinc/80/80/51/394808051.db2.gz VPVGXQMNJUUQBG-UHFFFAOYSA-N 0 3 278.396 2.309 20 10 CECDHN CC[C@@H](C)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000133825985 394955514 /nfs/dbraw/zinc/95/55/14/394955514.db2.gz APVMPGXOSINVBY-CYBMUJFWSA-N 0 3 278.396 2.317 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000365680049 394931256 /nfs/dbraw/zinc/93/12/56/394931256.db2.gz RHDWTKMWMFSJOL-HOTGVXAUSA-N 0 3 291.391 2.192 20 10 CECDHN [O-]c1c(F)cccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158823905 395054489 /nfs/dbraw/zinc/05/44/89/395054489.db2.gz IFMFNZZBJDLUIJ-CHWSQXEVSA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1c(F)cccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000158823905 395054493 /nfs/dbraw/zinc/05/44/93/395054493.db2.gz IFMFNZZBJDLUIJ-CHWSQXEVSA-N 0 3 264.344 2.248 20 10 CECDHN CCOC(=O)[C@H]1CCCN(Cc2cc(OC)ccc2O)C1 ZINC000183370463 395256487 /nfs/dbraw/zinc/25/64/87/395256487.db2.gz CALICALZUUAXMF-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000183370463 395256490 /nfs/dbraw/zinc/25/64/90/395256490.db2.gz CALICALZUUAXMF-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000183370463 395256494 /nfs/dbraw/zinc/25/64/94/395256494.db2.gz CALICALZUUAXMF-LBPRGKRZSA-N 0 3 293.363 2.176 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000183523647 395258919 /nfs/dbraw/zinc/25/89/19/395258919.db2.gz UPOCURAGKFBPOV-GIPNMCIBSA-N 0 3 255.383 2.155 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC2(SC)CC2)cc1OC ZINC000193366522 395406718 /nfs/dbraw/zinc/40/67/18/395406718.db2.gz SJLCKNFTDWCCSP-UHFFFAOYSA-N 0 3 283.393 2.395 20 10 CECDHN CN(C)[C@H](C[NH2+]Cc1ccccc1[O-])c1ccco1 ZINC000020122157 171002119 /nfs/dbraw/zinc/00/21/19/171002119.db2.gz VGHPRDDZCHQYNU-CYBMUJFWSA-N 0 3 260.337 2.378 20 10 CECDHN CC[C@H]([NH2+]CCCN1CCN(C)CC1)c1ccccc1[O-] ZINC000020128456 171015165 /nfs/dbraw/zinc/01/51/65/171015165.db2.gz QHZMBVNNSNFSCL-INIZCTEOSA-N 0 3 291.439 2.070 20 10 CECDHN COCCOCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020192034 171058170 /nfs/dbraw/zinc/05/81/70/171058170.db2.gz ZNXFLOOXPWFFCT-LBPRGKRZSA-N 0 3 253.342 2.096 20 10 CECDHN COc1cccc(C[NH2+]C[C@H](CC(C)C)N(C)C)c1[O-] ZINC000020201395 171065175 /nfs/dbraw/zinc/06/51/75/171065175.db2.gz BCQJSYLFBGMZAC-AWEZNQCLSA-N 0 3 280.412 2.467 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2CCC(=O)N(C)C2)cc1 ZINC000077900120 260167331 /nfs/dbraw/zinc/16/73/31/260167331.db2.gz XFZQBDXEMIPOHM-OAHLLOKOSA-N 0 3 289.423 2.243 20 10 CECDHN CC[NH+](CC)CCC[C@H](C)NC(=O)c1cccc(O)c1[O-] ZINC000126211512 260346845 /nfs/dbraw/zinc/34/68/45/260346845.db2.gz BRDXEMKLDMDWTA-LBPRGKRZSA-N 0 3 294.395 2.338 20 10 CECDHN CCOC(=O)C1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000158104381 261158365 /nfs/dbraw/zinc/15/83/65/261158365.db2.gz KVHKORNUSOSXNS-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)C1CCN(Cc2cc(C)ccc2O)CC1 ZINC000158104381 261158367 /nfs/dbraw/zinc/15/83/67/261158367.db2.gz KVHKORNUSOSXNS-UHFFFAOYSA-N 0 3 277.364 2.476 20 10 CECDHN COc1cc(O)c(CN(C)C[C@@H]2CCCCO2)cc1OC ZINC000159920264 261198295 /nfs/dbraw/zinc/19/82/95/261198295.db2.gz UJOZLJAFICBZCU-ZDUSSCGKSA-N 0 3 295.379 2.410 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)c1 ZINC000367437329 262028003 /nfs/dbraw/zinc/02/80/03/262028003.db2.gz INHNPHHGCOZIJU-YLVFBTJISA-N 0 3 288.391 2.408 20 10 CECDHN C[C@H]([NH2+]C[C@]1(O)CCSC1)c1cc(F)ccc1[O-] ZINC000185639546 262063599 /nfs/dbraw/zinc/06/35/99/262063599.db2.gz MEQISNCSZHHUNA-TVQRCGJNSA-N 0 3 271.357 2.050 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1cc(F)ccc1[O-] ZINC000368329418 267163202 /nfs/dbraw/zinc/16/32/02/267163202.db2.gz DBUUUDXGXKJECY-BXUZGUMPSA-N 0 3 294.370 2.045 20 10 CECDHN CC[C@H](C(=O)NCc1ccc(N(C)C)cc1)N(CC)CC ZINC000265460178 276609659 /nfs/dbraw/zinc/60/96/59/276609659.db2.gz XGINRYORPVLXQH-MRXNPFEDSA-N 0 3 291.439 2.489 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000296258701 277398795 /nfs/dbraw/zinc/39/87/95/277398795.db2.gz BNUZYGDGHGSDHP-YNEHKIRRSA-N 0 3 275.348 2.311 20 10 CECDHN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296436061 278540319 /nfs/dbraw/zinc/54/03/19/278540319.db2.gz MITBVVJTRXGBIJ-VNHYZAJKSA-N 0 3 293.407 2.127 20 10 CECDHN C[C@@H]1[C@H](C)SCCN1Cc1cc2c(cc1O)OCO2 ZINC000118381767 279108829 /nfs/dbraw/zinc/10/88/29/279108829.db2.gz RZMFINMSBWQIDD-ZJUUUORDSA-N 0 3 281.377 2.447 20 10 CECDHN CN(C)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296533420 282045121 /nfs/dbraw/zinc/04/51/21/282045121.db2.gz RVCKNGOIYDAQPP-CYBMUJFWSA-N 0 3 260.381 2.453 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)c2c1c(F)ccc2[O-] ZINC000527955034 313219884 /nfs/dbraw/zinc/21/98/84/313219884.db2.gz LRMWPKTXJOIWAA-OJDJGZDQSA-N 0 3 295.354 2.209 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CC2([S@](C)=O)CCC2)cc1C ZINC000280739176 328236259 /nfs/dbraw/zinc/23/62/59/328236259.db2.gz WPTNBAFHEIGQFC-IBGZPJMESA-N 0 3 281.421 2.400 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000285511041 328247782 /nfs/dbraw/zinc/24/77/82/328247782.db2.gz NKGONCIKVWXDHO-UHFFFAOYSA-N 0 3 281.352 2.080 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000228677459 329344253 /nfs/dbraw/zinc/34/42/53/329344253.db2.gz VVSBVQHVKYSOJY-VIFPVBQESA-N 0 3 272.776 2.094 20 10 CECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527805201 330284324 /nfs/dbraw/zinc/28/43/24/330284324.db2.gz URIIXPUBTOFKPQ-SPTRTOBYSA-N 0 3 279.336 2.022 20 10 CECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000527805197 330284436 /nfs/dbraw/zinc/28/44/36/330284436.db2.gz URIIXPUBTOFKPQ-AMDHYVTDSA-N 0 3 279.336 2.022 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378806 331306966 /nfs/dbraw/zinc/30/69/66/331306966.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 0 3 278.371 2.447 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3[O-])CC[C@@H]21 ZINC000166378806 331306967 /nfs/dbraw/zinc/30/69/67/331306967.db2.gz FGUROKCVMWRJSY-WFASDCNBSA-N 0 3 278.371 2.447 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000226584878 333265652 /nfs/dbraw/zinc/26/56/52/333265652.db2.gz UFWVRASPCQNIPZ-KBPBESRZSA-N 0 3 264.344 2.248 20 10 CECDHN CCOc1cccc(CN[C@H](C)c2cn[nH]c2)c1O ZINC000229883651 333310792 /nfs/dbraw/zinc/31/07/92/333310792.db2.gz IACKTVGXMKRTSZ-SNVBAGLBSA-N 0 3 261.325 2.365 20 10 CECDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000264863391 520939244 /nfs/dbraw/zinc/93/92/44/520939244.db2.gz PMZQVTJUUPLQBC-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CSC2(C)C)cc1OC ZINC000283155062 518137866 /nfs/dbraw/zinc/13/78/66/518137866.db2.gz XVMMCZPSOKSXER-ZDUSSCGKSA-N 0 3 283.393 2.393 20 10 CECDHN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271464225 519827390 /nfs/dbraw/zinc/82/73/90/519827390.db2.gz GNCIECKXRJVTSX-GXTWGEPZSA-N 0 3 293.363 2.414 20 10 CECDHN CCN(CC)c1ccc(CN[C@H]2COC[C@@H]2OC)cc1F ZINC000289689964 520910181 /nfs/dbraw/zinc/91/01/81/520910181.db2.gz DAYZJDDBFWNTCT-HOCLYGCPSA-N 0 3 296.386 2.175 20 10 CECDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000290235471 520966826 /nfs/dbraw/zinc/96/68/26/520966826.db2.gz UAFWONBHTZRDPL-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000290235471 520966835 /nfs/dbraw/zinc/96/68/35/520966835.db2.gz UAFWONBHTZRDPL-MRXNPFEDSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC[C@@H](C)O)c1 ZINC000278626072 521150522 /nfs/dbraw/zinc/15/05/22/521150522.db2.gz KDQJFSPXLZBXCP-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000237046483 521151313 /nfs/dbraw/zinc/15/13/13/521151313.db2.gz KBVLOZVEFKSHHJ-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H](C)COC)c1[O-] ZINC000045656371 521364120 /nfs/dbraw/zinc/36/41/20/521364120.db2.gz BVOPIQQUBUYVEG-LLVKDONJSA-N 0 3 253.342 2.163 20 10 CECDHN CCC(O)(CC)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000276232109 521651668 /nfs/dbraw/zinc/65/16/68/521651668.db2.gz NTMYFNRBHMIYPG-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CCNC(=O)C1(C[NH2+]Cc2cc(C)c(C)cc2[O-])CCC1 ZINC000277474061 521733451 /nfs/dbraw/zinc/73/34/51/521733451.db2.gz RRWDETLHZPHFNG-UHFFFAOYSA-N 0 3 290.407 2.405 20 10 CECDHN COC[C@@H](NCc1ccc(OC)c(C)c1)[C@H]1CCCO1 ZINC000278616621 522363652 /nfs/dbraw/zinc/36/36/52/522363652.db2.gz JHFJRBJULNNSFE-GDBMZVCRSA-N 0 3 279.380 2.287 20 10 CECDHN CC[C@H]([NH2+]CCOCCOC)c1ccccc1[O-] ZINC000044693697 522598056 /nfs/dbraw/zinc/59/80/56/522598056.db2.gz JPRCUQASKYBTOB-ZDUSSCGKSA-N 0 3 253.342 2.096 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C)cc1[O-] ZINC000280117729 522610661 /nfs/dbraw/zinc/61/06/61/522610661.db2.gz OCLLFHRNMZWVNN-ZBFHGGJFSA-N 0 3 292.423 2.198 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C)cc1[O-] ZINC000279973796 522717533 /nfs/dbraw/zinc/71/75/33/522717533.db2.gz DDTHQZBRRHJPMY-ZBFHGGJFSA-N 0 3 292.423 2.462 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCCO1 ZINC000278659752 522759438 /nfs/dbraw/zinc/75/94/38/522759438.db2.gz FHZYLGQBHUXCRL-CORIIIEPSA-N 0 3 265.353 2.237 20 10 CECDHN CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1ccccc1[O-] ZINC000155386839 522823624 /nfs/dbraw/zinc/82/36/24/522823624.db2.gz YZDBWMOTJZWMNQ-CYBMUJFWSA-N 0 3 264.369 2.301 20 10 CECDHN Cc1cccc(CN2CCCN(CC(F)F)CC2)c1O ZINC000290331474 524393643 /nfs/dbraw/zinc/39/36/43/524393643.db2.gz DSTONMBCEXDSKC-UHFFFAOYSA-N 0 3 284.350 2.473 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c1[O-] ZINC000292739411 524407816 /nfs/dbraw/zinc/40/78/16/524407816.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@]3(CCN(C)C3)C2)c1[O-] ZINC000292739411 524407822 /nfs/dbraw/zinc/40/78/22/524407822.db2.gz HDKIHFZTGGKGNZ-INIZCTEOSA-N 0 3 260.381 2.228 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000280236221 524867383 /nfs/dbraw/zinc/86/73/83/524867383.db2.gz KEHWMZBPRHDXGX-AWEZNQCLSA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000280236221 524867388 /nfs/dbraw/zinc/86/73/88/524867388.db2.gz KEHWMZBPRHDXGX-AWEZNQCLSA-N 0 3 282.771 2.051 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C[C@H](CO)[C@@H]2CCOC2)c1[O-] ZINC000280200219 524869604 /nfs/dbraw/zinc/86/96/04/524869604.db2.gz BGRWLRKZCUFOLT-DGCLKSJQSA-N 0 3 299.798 2.089 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275586 525347461 /nfs/dbraw/zinc/34/74/61/525347461.db2.gz MXXNTZKWDPFLHK-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275586 525347468 /nfs/dbraw/zinc/34/74/68/525347468.db2.gz MXXNTZKWDPFLHK-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)c1 ZINC000280275586 525347475 /nfs/dbraw/zinc/34/74/75/525347475.db2.gz MXXNTZKWDPFLHK-QGZVFWFLSA-N 0 3 291.391 2.471 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000036977561 525364524 /nfs/dbraw/zinc/36/45/24/525364524.db2.gz HJHIIHJGSTVFPU-WCQYABFASA-N 0 3 262.353 2.020 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)NC(C)(C)C ZINC000071122538 525445830 /nfs/dbraw/zinc/44/58/30/525445830.db2.gz WSWFBDZPZWHXHK-LBPRGKRZSA-N 0 3 277.412 2.145 20 10 CECDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1ccccn1 ZINC000042879412 525517278 /nfs/dbraw/zinc/51/72/78/525517278.db2.gz XVDYHZIHCKESRE-SNVBAGLBSA-N 0 3 272.304 2.367 20 10 CECDHN Cc1ccc([C@@H](C)NCC(=O)NCC(F)F)c(O)c1C ZINC000280427608 525723317 /nfs/dbraw/zinc/72/33/17/525723317.db2.gz BOJHVLDBPJKCGK-SNVBAGLBSA-N 0 3 286.322 2.041 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1C ZINC000293793325 525725932 /nfs/dbraw/zinc/72/59/32/525725932.db2.gz UMEUSHLCLFAIKA-CYBMUJFWSA-N 0 3 288.395 2.421 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000230659276 525729330 /nfs/dbraw/zinc/72/93/30/525729330.db2.gz WCEKCVVKFCVIPT-LDYMZIIASA-N 0 3 263.259 2.274 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1C ZINC000280975238 525925511 /nfs/dbraw/zinc/92/55/11/525925511.db2.gz VUFYSOYOOUCCGM-RRFJBIMHSA-N 0 3 293.407 2.305 20 10 CECDHN COc1cccc(CN2CC[C@H](n3cc(C)cn3)C2)c1O ZINC000290978637 525952461 /nfs/dbraw/zinc/95/24/61/525952461.db2.gz TWMFWNGOMQXXHS-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000290978637 525952465 /nfs/dbraw/zinc/95/24/65/525952465.db2.gz TWMFWNGOMQXXHS-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1[O-] ZINC000290978637 525952467 /nfs/dbraw/zinc/95/24/67/525952467.db2.gz TWMFWNGOMQXXHS-AWEZNQCLSA-N 0 3 287.363 2.353 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccc(O)cc1)OCO2 ZINC000042880377 526343634 /nfs/dbraw/zinc/34/36/34/526343634.db2.gz RXVMXYRGNVXAKD-UHFFFAOYSA-N 0 3 287.315 2.159 20 10 CECDHN Cc1nccn1CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000127433342 527410605 /nfs/dbraw/zinc/41/06/05/527410605.db2.gz RHULNFSQXCXSMK-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1nccn1CCC[N@H+](C)Cc1ccccc1[O-] ZINC000127433342 527410610 /nfs/dbraw/zinc/41/06/10/527410610.db2.gz RHULNFSQXCXSMK-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN CCOc1ccc(C[NH2+]CC2(C)OCCCO2)c([O-])c1 ZINC000752923441 575316467 /nfs/dbraw/zinc/31/64/67/575316467.db2.gz BVAVZPXYMUTGFE-UHFFFAOYSA-N 0 3 281.352 2.034 20 10 CECDHN O=C(C[NH2+]Cc1ccccc1[O-])Nc1ccc(F)c(F)c1 ZINC000725841880 625616484 /nfs/dbraw/zinc/61/64/84/625616484.db2.gz QIADMXBVFQWIPF-UHFFFAOYSA-N 0 3 292.285 2.399 20 10 CECDHN O=C(CNCc1ccccc1O)Nc1ccc(F)c(F)c1 ZINC000725841880 625616489 /nfs/dbraw/zinc/61/64/89/625616489.db2.gz QIADMXBVFQWIPF-UHFFFAOYSA-N 0 3 292.285 2.399 20 10 CECDHN CC[C@@H](C)N(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178735871 624743306 /nfs/dbraw/zinc/74/33/06/624743306.db2.gz KQNQESFJVWZPKV-CQSZACIVSA-N 0 3 291.439 2.441 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)NC(C)C ZINC000840974522 628974085 /nfs/dbraw/zinc/97/40/85/628974085.db2.gz JZCTYPCLFKWSIH-ZDUSSCGKSA-N 0 3 277.412 2.064 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCO[C@H]1CCCCO1 ZINC000894797306 629646340 /nfs/dbraw/zinc/64/63/40/629646340.db2.gz QKJDSQCHCMACGE-HNNXBMFYSA-N 0 3 265.353 2.333 20 10 CECDHN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(F)ccc1[O-] ZINC000797033663 630109797 /nfs/dbraw/zinc/10/97/97/630109797.db2.gz YIZVUJNCNHXYSK-LLVKDONJSA-N 0 3 283.343 2.114 20 10 CECDHN CCCOc1ccc(CN[C@@H]2C(=O)NCC2(C)C)cc1C ZINC000895326749 630113584 /nfs/dbraw/zinc/11/35/84/630113584.db2.gz ZXUGKKGKXYINKE-OAHLLOKOSA-N 0 3 290.407 2.398 20 10 CECDHN CCOc1ccc(C[NH2+]CC2CSC2)c([O-])c1 ZINC000895422642 630184594 /nfs/dbraw/zinc/18/45/94/630184594.db2.gz LFMRQTWAILCWQJ-UHFFFAOYSA-N 0 3 253.367 2.244 20 10 CECDHN COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000895459731 630202053 /nfs/dbraw/zinc/20/20/53/630202053.db2.gz HNBOMDFUJUJMDN-IJLUTSLNSA-N 0 3 263.337 2.385 20 10 CECDHN CC1=C[C@@H](C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797419423 630231932 /nfs/dbraw/zinc/23/19/32/630231932.db2.gz LPZCKAFTRTVKMQ-BMIGLBTASA-N 0 3 275.348 2.216 20 10 CECDHN CC1=C[C@@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000797419423 630231937 /nfs/dbraw/zinc/23/19/37/630231937.db2.gz LPZCKAFTRTVKMQ-BMIGLBTASA-N 0 3 275.348 2.216 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C)cc1[O-])C2 ZINC000895584634 630260479 /nfs/dbraw/zinc/26/04/79/630260479.db2.gz XPIBUQXWKFQOFR-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(C)cc1[O-])C2 ZINC000895584634 630260482 /nfs/dbraw/zinc/26/04/82/630260482.db2.gz XPIBUQXWKFQOFR-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])[C@H]1OC ZINC000895851976 630376643 /nfs/dbraw/zinc/37/66/43/630376643.db2.gz LXDPXNDOBLEKBS-QMGNLALYSA-N 0 3 265.353 2.235 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896239854 630509606 /nfs/dbraw/zinc/50/96/06/630509606.db2.gz NCNBWFBUGGLBQH-NSHDSACASA-N 0 3 289.335 2.082 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000896239854 630509607 /nfs/dbraw/zinc/50/96/07/630509607.db2.gz NCNBWFBUGGLBQH-NSHDSACASA-N 0 3 289.335 2.082 20 10 CECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000896447037 630567906 /nfs/dbraw/zinc/56/79/06/630567906.db2.gz NRLWZEOBZJZNBG-VNHYZAJKSA-N 0 3 293.338 2.162 20 10 CECDHN CCOC(=O)[C@@H]1[C@@H]2CC[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]21 ZINC000896447037 630567910 /nfs/dbraw/zinc/56/79/10/630567910.db2.gz NRLWZEOBZJZNBG-VNHYZAJKSA-N 0 3 293.338 2.162 20 10 CECDHN COCC[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000798940878 630954449 /nfs/dbraw/zinc/95/44/49/630954449.db2.gz OJLCNYZNCMQNON-UMNHJUIQSA-N 0 3 283.343 2.067 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1F ZINC000897810250 631926241 /nfs/dbraw/zinc/92/62/41/631926241.db2.gz PGDZZIINFKQRGP-PDSBVLEXSA-N 0 3 294.345 2.296 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CC(N)=O)c1[O-] ZINC000808703595 632002621 /nfs/dbraw/zinc/00/26/21/632002621.db2.gz PCDWQEKDINWNNQ-BDAKNGLRSA-N 0 3 270.760 2.269 20 10 CECDHN Cc1cc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])nn1C ZINC000926912633 632351948 /nfs/dbraw/zinc/35/19/48/632351948.db2.gz XVPYVUOCUAAFMH-NSHDSACASA-N 0 3 277.343 2.467 20 10 CECDHN CCO[C@@H](C[NH2+][C@@H](CC)c1ccccc1[O-])CN(C)C ZINC000926958249 632385627 /nfs/dbraw/zinc/38/56/27/632385627.db2.gz FIBNYHLDSLSSCY-ZFWWWQNUSA-N 0 3 280.412 2.400 20 10 CECDHN Cl/C=C/CNCc1ccc(N2CCOCC2)cc1 ZINC000898435579 632496787 /nfs/dbraw/zinc/49/67/87/632496787.db2.gz JJHKEESZEPYIHI-LZCJLJQNSA-N 0 3 266.772 2.365 20 10 CECDHN Cc1cc(CN2CCc3cn[nH]c3C2)ccc1N(C)C ZINC000815074279 632955602 /nfs/dbraw/zinc/95/56/02/632955602.db2.gz NWTQEWZEYDKIEF-UHFFFAOYSA-N 0 3 270.380 2.342 20 10 CECDHN COc1cccc([O-])c1C[NH+]1CCC2(CC1)OCCCO2 ZINC000816645583 633455980 /nfs/dbraw/zinc/45/59/80/633455980.db2.gz BHDBZEXWQBDYOB-UHFFFAOYSA-N 0 3 293.363 2.130 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817418971 633656113 /nfs/dbraw/zinc/65/61/13/633656113.db2.gz MURNBSJGNDMAEH-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817418971 633656118 /nfs/dbraw/zinc/65/61/18/633656118.db2.gz MURNBSJGNDMAEH-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817954595 633798462 /nfs/dbraw/zinc/79/84/62/633798462.db2.gz ZMDVMWFKTLKAMD-YPMHNXCESA-N 0 3 252.333 2.324 20 10 CECDHN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(Cl)ccc1[O-] ZINC000817959425 633800768 /nfs/dbraw/zinc/80/07/68/633800768.db2.gz FWPAWXKWAIFRKX-PELKAZGASA-N 0 3 254.761 2.434 20 10 CECDHN COC[C@@]1(CN[C@@H](C)c2cc(Cl)ccc2[O-])CCC[NH2+]1 ZINC000817975889 633818770 /nfs/dbraw/zinc/81/87/70/633818770.db2.gz ZFQJCUFJJWNQEJ-NHYWBVRUSA-N 0 3 298.814 2.465 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CNCCCO1)c1cccc(Cl)c1[O-] ZINC000817982976 633826530 /nfs/dbraw/zinc/82/65/30/633826530.db2.gz XEXHYKCQMOBKFN-BXUZGUMPSA-N 0 3 298.814 2.465 20 10 CECDHN COc1cccc([C@H](C)NCc2cnn(CCF)c2)c1O ZINC000903273652 635040945 /nfs/dbraw/zinc/04/09/45/635040945.db2.gz BZSDMYYBKYPUSN-NSHDSACASA-N 0 3 293.342 2.418 20 10 CECDHN CC[C@H](CN1CCOCC1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000903342010 635069475 /nfs/dbraw/zinc/06/94/75/635069475.db2.gz AREQRFXZVABMNJ-CABCVRRESA-N 0 3 290.407 2.080 20 10 CECDHN CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000824815475 635504858 /nfs/dbraw/zinc/50/48/58/635504858.db2.gz QJLCUNZDLJELPH-HZMBPMFUSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1C ZINC000824815475 635504864 /nfs/dbraw/zinc/50/48/64/635504864.db2.gz QJLCUNZDLJELPH-HZMBPMFUSA-N 0 3 253.317 2.388 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338323 635619870 /nfs/dbraw/zinc/61/98/70/635619870.db2.gz OKTFHVSACKGVIC-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338323 635619874 /nfs/dbraw/zinc/61/98/74/635619874.db2.gz OKTFHVSACKGVIC-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827585806 636359635 /nfs/dbraw/zinc/35/96/35/636359635.db2.gz QOEWUKZOLWUIHT-VIFPVBQESA-N 0 3 255.745 2.357 20 10 CECDHN CC(C)NC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827680947 636388027 /nfs/dbraw/zinc/38/80/27/636388027.db2.gz RKEIMURZKRFTHG-GFCCVEGCSA-N 0 3 294.370 2.268 20 10 CECDHN CC(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000827680947 636388036 /nfs/dbraw/zinc/38/80/36/636388036.db2.gz RKEIMURZKRFTHG-GFCCVEGCSA-N 0 3 294.370 2.268 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000876541772 650313841 /nfs/dbraw/zinc/31/38/41/650313841.db2.gz DRXTWSHGRYTPIB-UHFFFAOYSA-N 0 3 276.380 2.001 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOC[C@H]1CCOC1)CC2 ZINC000834578564 637876871 /nfs/dbraw/zinc/87/68/71/637876871.db2.gz UWSVPAVFYQBSEI-GXTWGEPZSA-N 0 3 277.364 2.022 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCNc1ncccn1)CC2 ZINC000834615664 637890953 /nfs/dbraw/zinc/89/09/53/637890953.db2.gz GZMOANZENVVPEP-ZDUSSCGKSA-N 0 3 284.363 2.261 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCNc1ncccn1)CC2 ZINC000834615662 637891246 /nfs/dbraw/zinc/89/12/46/637891246.db2.gz GZMOANZENVVPEP-CYBMUJFWSA-N 0 3 284.363 2.261 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCO[C@]3(CCOC3)C1)CC2 ZINC000834697448 637922504 /nfs/dbraw/zinc/92/25/04/637922504.db2.gz LHVOACUKANUMHX-CKEIUWERSA-N 0 3 289.375 2.307 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000834844824 637968815 /nfs/dbraw/zinc/96/88/15/637968815.db2.gz VFYALTFXQBHYFH-KNHMANMVSA-N 0 3 297.370 2.457 20 10 CECDHN C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000834904636 637982492 /nfs/dbraw/zinc/98/24/92/637982492.db2.gz ANMUZPOEPFPZJQ-WYOJIJJFSA-N 0 3 251.301 2.193 20 10 CECDHN CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000834907812 637984974 /nfs/dbraw/zinc/98/49/74/637984974.db2.gz CVBYVDLLCXIJSM-CJNGLKHVSA-N 0 3 276.380 2.410 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)c([O-])c1 ZINC000834910397 637986326 /nfs/dbraw/zinc/98/63/26/637986326.db2.gz WTMYTROICJGWRQ-XHDPSFHLSA-N 0 3 262.353 2.020 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000876678215 650395145 /nfs/dbraw/zinc/39/51/45/650395145.db2.gz IPIJEKMTCPZWAG-ZDUSSCGKSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000876678215 650395149 /nfs/dbraw/zinc/39/51/49/650395149.db2.gz IPIJEKMTCPZWAG-ZDUSSCGKSA-N 0 3 277.364 2.286 20 10 CECDHN Cc1cc([O-])c(CN2CC[NH2+][C@@H](C)C2)c(Cl)c1 ZINC000840908970 639582622 /nfs/dbraw/zinc/58/26/22/639582622.db2.gz ZRGVKZNETNYLCC-JTQLQIEISA-N 0 3 254.761 2.148 20 10 CECDHN C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841065231 639641401 /nfs/dbraw/zinc/64/14/01/639641401.db2.gz ZFOQCLZYMSMPLK-SKDRFNHKSA-N 0 3 254.761 2.133 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2(CO)CCCC2)c1[O-] ZINC000228677534 639652833 /nfs/dbraw/zinc/65/28/33/639652833.db2.gz HQFIHMDJNJVAHG-UHFFFAOYSA-N 0 3 285.771 2.449 20 10 CECDHN CC(C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228943733 639665315 /nfs/dbraw/zinc/66/53/15/639665315.db2.gz YLCIWZVHQKIAKW-UWVGGRQHSA-N 0 3 268.332 2.095 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccccc1[O-] ZINC000841765335 639861522 /nfs/dbraw/zinc/86/15/22/639861522.db2.gz PPCSOUJHDPBDCQ-GHMZBOCLSA-N 0 3 270.323 2.382 20 10 CECDHN Cc1ccc(C[NH2+][C@H](CO)Cc2ccccc2)c([O-])c1 ZINC000877036733 650542283 /nfs/dbraw/zinc/54/22/83/650542283.db2.gz ICEZCZHWKKXMLU-INIZCTEOSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)c([O-])c1 ZINC000877049538 650548194 /nfs/dbraw/zinc/54/81/94/650548194.db2.gz GRFFXTQBOZMGMA-ZIAGYGMSSA-N 0 3 297.420 2.146 20 10 CECDHN CC(C)(C)N1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1=O ZINC000842882266 640211450 /nfs/dbraw/zinc/21/14/50/640211450.db2.gz PPJFXOYLJKDBQV-STQMWFEESA-N 0 3 288.391 2.369 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000877093080 650568778 /nfs/dbraw/zinc/56/87/78/650568778.db2.gz NNTNQJPJDYCABQ-ZDUSSCGKSA-N 0 3 275.348 2.234 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1[O-] ZINC000843353953 640400682 /nfs/dbraw/zinc/40/06/82/640400682.db2.gz RUQGEWPQYLFFLR-JQWIXIFHSA-N 0 3 294.370 2.293 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000877132449 650588188 /nfs/dbraw/zinc/58/81/88/650588188.db2.gz DTTHGRSOIUTWER-ZDUSSCGKSA-N 0 3 277.364 2.476 20 10 CECDHN CC(=O)N1CCN(Cc2ccc(C)cc2O)C(C)(C)C1 ZINC000877171600 650609390 /nfs/dbraw/zinc/60/93/90/650609390.db2.gz CQYVEBQZUZVUEY-UHFFFAOYSA-N 0 3 276.380 2.143 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2[O-] ZINC000846205119 641220184 /nfs/dbraw/zinc/22/01/84/641220184.db2.gz FAVAIJPBWWLUNQ-ZYHUDNBSSA-N 0 3 292.354 2.292 20 10 CECDHN CCN1C[C@H](C[NH2+][C@@H](C)c2ccc(C)cc2[O-])CC1=O ZINC000846207828 641222248 /nfs/dbraw/zinc/22/22/48/641222248.db2.gz GHOOPGDEBHWPOF-STQMWFEESA-N 0 3 276.380 2.220 20 10 CECDHN CC(C)CC[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000877256234 650644324 /nfs/dbraw/zinc/64/43/24/650644324.db2.gz PYLOIQRDNCWWEL-YPMHNXCESA-N 0 3 264.369 2.333 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179566407 641365983 /nfs/dbraw/zinc/36/59/83/641365983.db2.gz VMRCWFPFDRMMBU-AWEZNQCLSA-N 0 3 276.380 2.130 20 10 CECDHN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179566407 641365987 /nfs/dbraw/zinc/36/59/87/641365987.db2.gz VMRCWFPFDRMMBU-AWEZNQCLSA-N 0 3 276.380 2.130 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]([NH3+])C[C@@H]2C)c1[O-] ZINC000846707863 641404308 /nfs/dbraw/zinc/40/43/08/641404308.db2.gz ZRNNCBRWFJIJLB-ZANVPECISA-N 0 3 280.343 2.046 20 10 CECDHN Cn1cncc1CCC[N@H+](C)Cc1ccccc1[O-] ZINC000846826157 641441114 /nfs/dbraw/zinc/44/11/14/641441114.db2.gz ZXDOQTKIHBVVNI-UHFFFAOYSA-N 0 3 259.353 2.190 20 10 CECDHN Cn1cncc1CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000846826157 641441117 /nfs/dbraw/zinc/44/11/17/641441117.db2.gz ZXDOQTKIHBVVNI-UHFFFAOYSA-N 0 3 259.353 2.190 20 10 CECDHN Cc1ccc(O)c(CNCC(=O)NCc2ccccc2)c1 ZINC000071408178 641762857 /nfs/dbraw/zinc/76/28/57/641762857.db2.gz BZPXVUTXWFKNSC-UHFFFAOYSA-N 0 3 284.359 2.107 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@]2(CCO)CCOC2)c1 ZINC000185777082 642027902 /nfs/dbraw/zinc/02/79/02/642027902.db2.gz IATOOUWEXZQOHM-XJKSGUPXSA-N 0 3 279.380 2.140 20 10 CECDHN Cc1ccc(C[NH+]2CCC(Cn3cncn3)CC2)c([O-])c1 ZINC000877430798 650717365 /nfs/dbraw/zinc/71/73/65/650717365.db2.gz RIZYDHKVCBEZHC-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000083445677 642071838 /nfs/dbraw/zinc/07/18/38/642071838.db2.gz DAZLYYQZOURPFP-OAHLLOKOSA-N 0 3 261.296 2.355 20 10 CECDHN CCc1cccc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000848911954 642186694 /nfs/dbraw/zinc/18/66/94/642186694.db2.gz ZVHMURBJKCDFMA-QGZVFWFLSA-N 0 3 291.391 2.336 20 10 CECDHN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1ccc(C)cc1O ZINC000877464725 650731686 /nfs/dbraw/zinc/73/16/86/650731686.db2.gz LPANPSLEPIQSPX-XPKDYRNWSA-N 0 3 289.375 2.474 20 10 CECDHN Cc1ccc(CN[C@@]2(CO)CCOc3ccccc32)c(O)c1 ZINC000877498324 650751262 /nfs/dbraw/zinc/75/12/62/650751262.db2.gz BRWHXFITYFPUJQ-GOSISDBHSA-N 0 3 299.370 2.461 20 10 CECDHN Cc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000877526528 650767088 /nfs/dbraw/zinc/76/70/88/650767088.db2.gz JYQVIJKQXSMQBO-NSHDSACASA-N 0 3 263.259 2.104 20 10 CECDHN CCOc1ccc(C[NH2+]CCO[C@@H]2CC2(F)F)c([O-])c1 ZINC000850365105 642683479 /nfs/dbraw/zinc/68/34/79/642683479.db2.gz BOONMNQSEJJOLA-CYBMUJFWSA-N 0 3 287.306 2.305 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](CO)CC2CC2)c([O-])c1 ZINC000850388333 642695755 /nfs/dbraw/zinc/69/57/55/642695755.db2.gz LGNQAVFCSBTWDA-CYBMUJFWSA-N 0 3 279.380 2.289 20 10 CECDHN CON(C)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000850479280 642725807 /nfs/dbraw/zinc/72/58/07/642725807.db2.gz PFJZLCZNAVNXKB-GXSJLCMTSA-N 0 3 268.332 2.162 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000850484400 642729056 /nfs/dbraw/zinc/72/90/56/642729056.db2.gz IIQHJWPFIYTGCI-HEHGZKQESA-N 0 3 279.380 2.403 20 10 CECDHN Cc1ccc(C[NH2+]CCC(C)(C)S(C)(=O)=O)c([O-])c1 ZINC000877588860 650802517 /nfs/dbraw/zinc/80/25/17/650802517.db2.gz AQLYSZZXGZXKLZ-UHFFFAOYSA-N 0 3 285.409 2.004 20 10 CECDHN C[C@H]([NH2+]Cc1c2c(nn1C)CCC2)c1ccccc1[O-] ZINC000922329259 643030573 /nfs/dbraw/zinc/03/05/73/643030573.db2.gz MPNLVZXWFOVPFC-NSHDSACASA-N 0 3 271.364 2.465 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000877629336 650822481 /nfs/dbraw/zinc/82/24/81/650822481.db2.gz TXMSDVDUXIKXGN-INIZCTEOSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000877629336 650822484 /nfs/dbraw/zinc/82/24/84/650822484.db2.gz TXMSDVDUXIKXGN-INIZCTEOSA-N 0 3 261.365 2.438 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000877658294 650838124 /nfs/dbraw/zinc/83/81/24/650838124.db2.gz WEKHRJDWLZXXAG-XJKSGUPXSA-N 0 3 261.365 2.295 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000877658294 650838126 /nfs/dbraw/zinc/83/81/26/650838126.db2.gz WEKHRJDWLZXXAG-XJKSGUPXSA-N 0 3 261.365 2.295 20 10 CECDHN CCN(C)c1ccc(CN(C)CCN(C)C(=O)OC)cc1 ZINC000852568401 643476162 /nfs/dbraw/zinc/47/61/62/643476162.db2.gz CQKKHNVHEFVXPB-UHFFFAOYSA-N 0 3 293.411 2.273 20 10 CECDHN CCOc1cccc(CNCc2ccnn2CC)c1O ZINC000853093522 643650051 /nfs/dbraw/zinc/65/00/51/643650051.db2.gz MFCQEQAKYRNZMT-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CN(C)c1ccc(/C=C/CN2CC(C(C)(C)O)C2)cc1 ZINC000839140132 644172020 /nfs/dbraw/zinc/17/20/20/644172020.db2.gz OGESFVZXVFXDOZ-AATRIKPKSA-N 0 3 274.408 2.469 20 10 CECDHN CN(C(=O)c1cc([O-])cs1)C(C)(C)C[NH+]1CCCC1 ZINC000854959040 644215949 /nfs/dbraw/zinc/21/59/49/644215949.db2.gz ZMQOFXJSTHVKHW-UHFFFAOYSA-N 0 3 282.409 2.400 20 10 CECDHN CN(C(=O)C1=CC(=O)CS1)C(C)(C)CN1CCCC1 ZINC000854959040 644215954 /nfs/dbraw/zinc/21/59/54/644215954.db2.gz ZMQOFXJSTHVKHW-UHFFFAOYSA-N 0 3 282.409 2.400 20 10 CECDHN CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000855286721 644293236 /nfs/dbraw/zinc/29/32/36/644293236.db2.gz WJODBGOKNOIVLZ-SECBINFHSA-N 0 3 268.382 2.056 20 10 CECDHN CC(C)(C)[N@H+]1CC[C@@H](NC(=O)c2cc([O-])cs2)C1 ZINC000855286721 644293242 /nfs/dbraw/zinc/29/32/42/644293242.db2.gz WJODBGOKNOIVLZ-SECBINFHSA-N 0 3 268.382 2.056 20 10 CECDHN C[S@@](=O)c1ccc(C[NH2+]Cc2ccccc2[O-])cc1 ZINC000754333399 644357667 /nfs/dbraw/zinc/35/76/67/644357667.db2.gz CZICCVXCCVEYSP-LJQANCHMSA-N 0 3 275.373 2.419 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000754872659 644444342 /nfs/dbraw/zinc/44/43/42/644444342.db2.gz OBGCQBJWNZYXLB-YGRLFVJLSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000754872659 644444346 /nfs/dbraw/zinc/44/43/46/644444346.db2.gz OBGCQBJWNZYXLB-YGRLFVJLSA-N 0 3 295.404 2.145 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c([O-])c1 ZINC000756489037 644654681 /nfs/dbraw/zinc/65/46/81/644654681.db2.gz OJJUOUMMLJBICW-VXGBXAGGSA-N 0 3 260.341 2.031 20 10 CECDHN CC[S@](=O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756577950 644671507 /nfs/dbraw/zinc/67/15/07/644671507.db2.gz SYZQGSPMKMDOLZ-NWJBQHJCSA-N 0 3 285.384 2.438 20 10 CECDHN O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000856480770 644682313 /nfs/dbraw/zinc/68/23/13/644682313.db2.gz XMCJWJLHISZTII-LBPRGKRZSA-N 0 3 294.420 2.306 20 10 CECDHN O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cc([O-])cs1 ZINC000856480770 644682317 /nfs/dbraw/zinc/68/23/17/644682317.db2.gz XMCJWJLHISZTII-LBPRGKRZSA-N 0 3 294.420 2.306 20 10 CECDHN Cc1cc([O-])c(CN(C)[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000843048989 644745884 /nfs/dbraw/zinc/74/58/84/644745884.db2.gz CRDUPQSXUWTYFR-SNVBAGLBSA-N 0 3 254.761 2.148 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061973 644806054 /nfs/dbraw/zinc/80/60/54/644806054.db2.gz XESQPEPROHZYGH-TZMCWYRMSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857061973 644806057 /nfs/dbraw/zinc/80/60/57/644806057.db2.gz XESQPEPROHZYGH-TZMCWYRMSA-N 0 3 279.380 2.241 20 10 CECDHN CC[C@](C)(CC(=O)OC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000757919999 644857496 /nfs/dbraw/zinc/85/74/96/644857496.db2.gz OEYPFFVGKIBKBU-CQSZACIVSA-N 0 3 269.316 2.353 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2CCCC[C@@H]2O)cc1F ZINC000858136630 645072047 /nfs/dbraw/zinc/07/20/47/645072047.db2.gz WFPZFYKFESQYGI-HIFRSBDPSA-N 0 3 284.350 2.424 20 10 CECDHN CO[C@H](C)CNCc1cc(F)c(N(C)C)cc1F ZINC000858189747 645084949 /nfs/dbraw/zinc/08/49/49/645084949.db2.gz RJPFFTLALDDFFD-SECBINFHSA-N 0 3 258.312 2.155 20 10 CECDHN CCc1ncc(CNCc2cc(C)ccc2O)cn1 ZINC000858239278 645095994 /nfs/dbraw/zinc/09/59/94/645095994.db2.gz KTOPHEDVNZLANH-UHFFFAOYSA-N 0 3 257.337 2.343 20 10 CECDHN COc1cc(Cl)cc(C[N@H+](CCCO)C2CC2)c1[O-] ZINC000761199431 645256301 /nfs/dbraw/zinc/25/63/01/645256301.db2.gz OHIXZFYFVLLLCL-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+](CCCO)C2CC2)c1[O-] ZINC000761199431 645256303 /nfs/dbraw/zinc/25/63/03/645256303.db2.gz OHIXZFYFVLLLCL-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN COc1cccc(O)c1CN(CCO)Cc1ccccc1 ZINC000768142124 646089542 /nfs/dbraw/zinc/08/95/42/646089542.db2.gz IBDVZGVDQFFRTE-UHFFFAOYSA-N 0 3 287.359 2.395 20 10 CECDHN CCOc1ccc(C[N@H+](CC(N)=O)C2CCCC2)c([O-])c1 ZINC000768256234 646101331 /nfs/dbraw/zinc/10/13/31/646101331.db2.gz ACQXCBVZOMRXGF-UHFFFAOYSA-N 0 3 292.379 2.021 20 10 CECDHN CCOc1ccc(C[N@@H+](CC(N)=O)C2CCCC2)c([O-])c1 ZINC000768256234 646101333 /nfs/dbraw/zinc/10/13/33/646101333.db2.gz ACQXCBVZOMRXGF-UHFFFAOYSA-N 0 3 292.379 2.021 20 10 CECDHN CCOc1ccc(CN(CC(N)=O)C2CCCC2)c(O)c1 ZINC000768256234 646101335 /nfs/dbraw/zinc/10/13/35/646101335.db2.gz ACQXCBVZOMRXGF-UHFFFAOYSA-N 0 3 292.379 2.021 20 10 CECDHN Cc1ccc(O)c(CN(C)Cc2cccc(C(N)=O)c2)c1 ZINC000768925252 646180781 /nfs/dbraw/zinc/18/07/81/646180781.db2.gz AIIHVEOPJJWUCZ-UHFFFAOYSA-N 0 3 284.359 2.432 20 10 CECDHN COc1cccc(CN[C@H](CO)c2ccsc2)c1O ZINC000769935353 646336832 /nfs/dbraw/zinc/33/68/32/646336832.db2.gz SNXCZROIUIHXAT-GFCCVEGCSA-N 0 3 279.361 2.286 20 10 CECDHN CCOC(=O)C1=CC[C@@H]([NH2+]Cc2c([O-])cccc2OC)C1 ZINC000862487686 646478502 /nfs/dbraw/zinc/47/85/02/646478502.db2.gz UMSVMODSGGNUJR-GFCCVEGCSA-N 0 3 291.347 2.142 20 10 CECDHN O=C1OC[C@H]2C[N@@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]12 ZINC000862545259 646492682 /nfs/dbraw/zinc/49/26/82/646492682.db2.gz MKDKIXKRKUPDEU-TZMCWYRMSA-N 0 3 283.327 2.150 20 10 CECDHN O=C1OC[C@H]2C[N@H+](Cc3c([O-])ccc4ccccc43)C[C@@H]12 ZINC000862545259 646492687 /nfs/dbraw/zinc/49/26/87/646492687.db2.gz MKDKIXKRKUPDEU-TZMCWYRMSA-N 0 3 283.327 2.150 20 10 CECDHN CC[C@@H](CSC)[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773255042 646719414 /nfs/dbraw/zinc/71/94/14/646719414.db2.gz LPXTXZKEUJGROW-SMDDNHRTSA-N 0 3 297.420 2.391 20 10 CECDHN CC[C@@H](CSC)[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000773255042 646719419 /nfs/dbraw/zinc/71/94/19/646719419.db2.gz LPXTXZKEUJGROW-SMDDNHRTSA-N 0 3 297.420 2.391 20 10 CECDHN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(Cl)ccc1[O-] ZINC000863545891 646752840 /nfs/dbraw/zinc/75/28/40/646752840.db2.gz BACDUMUIQHAEEX-HOTUBEGUSA-N 0 3 254.761 2.447 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000774828511 646900603 /nfs/dbraw/zinc/90/06/03/646900603.db2.gz CQLDPMDJIWFPLN-FZMZJTMJSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1cccc(CN(C)Cc2cccc(C(N)=O)c2)c1O ZINC000775657790 646976966 /nfs/dbraw/zinc/97/69/66/646976966.db2.gz IEXNGCVHFXALDT-UHFFFAOYSA-N 0 3 284.359 2.432 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000776220362 647038000 /nfs/dbraw/zinc/03/80/00/647038000.db2.gz WJXPZFGRSFFJHO-YPMHNXCESA-N 0 3 265.353 2.306 20 10 CECDHN Cc1ccnc(N2CCN(Cc3ccccc3O)CC2)c1 ZINC000778999522 647279974 /nfs/dbraw/zinc/27/99/74/647279974.db2.gz GMTCUPVICTWAAP-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000779014876 647281851 /nfs/dbraw/zinc/28/18/51/647281851.db2.gz QSXFAPDSZIDWIP-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000779014876 647281854 /nfs/dbraw/zinc/28/18/54/647281854.db2.gz QSXFAPDSZIDWIP-LLVKDONJSA-N 0 3 253.317 2.126 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)c2ccnn2C)c([O-])c1 ZINC000865839692 647487047 /nfs/dbraw/zinc/48/70/47/647487047.db2.gz QLVIYIDHAOCJHD-LLVKDONJSA-N 0 3 275.352 2.375 20 10 CECDHN C[C@H]([NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2)c1ccccc1[O-] ZINC000866446160 647789746 /nfs/dbraw/zinc/78/97/46/647789746.db2.gz UBVBFUWIYLYNTG-JYMBTIDVSA-N 0 3 259.349 2.466 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000866462970 647795459 /nfs/dbraw/zinc/79/54/59/647795459.db2.gz FIXIJRHEODPGAY-MVKOHCKWSA-N 0 3 281.249 2.494 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@H]3[NH2+]CC[C@H]32)c1[O-] ZINC000866721380 647882206 /nfs/dbraw/zinc/88/22/06/647882206.db2.gz VRLWDTSXWVHHDY-HUUCEWRRSA-N 0 3 292.354 2.060 20 10 CECDHN Cc1cc(CNCc2cc(C)c(C)cc2O)n(C)n1 ZINC000790602413 648434048 /nfs/dbraw/zinc/43/40/48/648434048.db2.gz VRXAYJMUPXLFON-UHFFFAOYSA-N 0 3 259.353 2.341 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873155920 649573774 /nfs/dbraw/zinc/57/37/74/649573774.db2.gz IJHIKVCNXZYUGX-SLEUVZQESA-N 0 3 277.364 2.448 20 10 CECDHN C[C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H](C)[NH2+]1 ZINC000125064553 649788836 /nfs/dbraw/zinc/78/88/36/649788836.db2.gz XZEFIMLYNCMWGW-UWVGGRQHSA-N 0 3 254.761 2.228 20 10 CECDHN CC(C)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000879648183 651335018 /nfs/dbraw/zinc/33/50/18/651335018.db2.gz BZFTVGORSKVCRC-TZMCWYRMSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCCC1)c1ccccc1[O-] ZINC000879650411 651335570 /nfs/dbraw/zinc/33/55/70/651335570.db2.gz ZYAHQMPHQMNQQS-ZIAGYGMSSA-N 0 3 293.407 2.489 20 10 CECDHN C[C@@H]([NH2+]C[C@H](CO)Cc1ccoc1)c1ccccc1[O-] ZINC000883277008 652422095 /nfs/dbraw/zinc/42/20/95/652422095.db2.gz SODRYWFSHHGBRW-TZMCWYRMSA-N 0 3 275.348 2.487 20 10 CECDHN O=C1[C@H]([NH2+]Cc2ccccc2[O-])CCN1C1CCCCC1 ZINC000131593259 652438030 /nfs/dbraw/zinc/43/80/30/652438030.db2.gz OMMNRCJLKXSGTO-OAHLLOKOSA-N 0 3 288.391 2.415 20 10 CECDHN COC[C@H](C)NCc1cc(F)c(N(C)C)cc1F ZINC000883374946 652448441 /nfs/dbraw/zinc/44/84/41/652448441.db2.gz XHNNZMCFLZKYPV-VIFPVBQESA-N 0 3 258.312 2.155 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CCOC(C)(C)C2)c([O-])c1 ZINC000160437679 806872551 /nfs/dbraw/zinc/87/25/51/806872551.db2.gz DBVFYFJVAKXPNU-GFCCVEGCSA-N 0 3 265.353 2.448 20 10 CECDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140056407 802548973 /nfs/dbraw/zinc/54/89/73/802548973.db2.gz VWLYPTIJRCPVEL-ZWNOBZJWSA-N 0 3 263.312 2.332 20 10 CECDHN O=C1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@@H]12 ZINC001140056407 802548977 /nfs/dbraw/zinc/54/89/77/802548977.db2.gz VWLYPTIJRCPVEL-ZWNOBZJWSA-N 0 3 263.312 2.332 20 10 CECDHN CC1([NH3+])CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000704598283 809739341 /nfs/dbraw/zinc/73/93/41/809739341.db2.gz VKZXMBUBMIWRIQ-UHFFFAOYSA-N 0 3 254.761 2.359 20 10 CECDHN COc1ccc(O)c(CNCc2ccns2)c1 ZINC000404423432 803268921 /nfs/dbraw/zinc/26/89/21/803268921.db2.gz KACCJWLRBFRZEL-UHFFFAOYSA-N 0 3 250.323 2.147 20 10 CECDHN CCN1CCC[C@H](NCc2ccc(OC)c(C)c2)C1=O ZINC000722361599 804382001 /nfs/dbraw/zinc/38/20/01/804382001.db2.gz NOZNCTGDUCIWIV-AWEZNQCLSA-N 0 3 276.380 2.104 20 10 CECDHN COc1cc(N(C)C)ccc1CN1CCN(C(C)C)CC1 ZINC001231848010 807194626 /nfs/dbraw/zinc/19/46/26/807194626.db2.gz DQFZAGIGMWYOEZ-UHFFFAOYSA-N 0 3 291.439 2.287 20 10 CECDHN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@H]1F ZINC001206197246 815639303 /nfs/dbraw/zinc/63/93/03/815639303.db2.gz HAXGCVLAWVXRIA-KOLCDFICSA-N 0 3 290.741 2.446 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](OC)C1 ZINC001116748885 808870987 /nfs/dbraw/zinc/87/09/87/808870987.db2.gz ZGOVNYLFVSEREP-WDEREUQCSA-N 0 3 251.326 2.058 20 10 CECDHN [O-]c1cccc2c1C[N@@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172231326 815343475 /nfs/dbraw/zinc/34/34/75/815343475.db2.gz RDJKQUBDUUMJOX-AGUYFDCRSA-N 0 3 259.349 2.460 20 10 CECDHN [O-]c1cccc2c1C[N@H+](C1C[C@H]3CC[C@@H](C1)O3)CC2 ZINC001172231326 815343482 /nfs/dbraw/zinc/34/34/82/815343482.db2.gz RDJKQUBDUUMJOX-AGUYFDCRSA-N 0 3 259.349 2.460 20 10 CECDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003725 815376242 /nfs/dbraw/zinc/37/62/42/815376242.db2.gz GBTDTSCCOGKYKE-MLGOLLRUSA-N 0 3 291.439 2.441 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691424639 811646958 /nfs/dbraw/zinc/64/69/58/811646958.db2.gz WANOPAFDKRYCHQ-OCCSQVGLSA-N 0 3 251.301 2.188 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000384541762 812429690 /nfs/dbraw/zinc/42/96/90/812429690.db2.gz FAFGOTCUDYTRMO-GIPNMCIBSA-N 0 3 251.326 2.056 20 10 CECDHN COc1ccc(C[NH2+][C@H]2CS[C@H](C)C2)c([O-])c1 ZINC000397975958 813650048 /nfs/dbraw/zinc/65/00/48/813650048.db2.gz OSLICDPMZHBWNY-MWLCHTKSSA-N 0 3 253.367 2.384 20 10 CECDHN COc1ccc(C[NH2+][C@@H]2CS[C@@H](C)C2)c([O-])c1 ZINC000397975960 813650283 /nfs/dbraw/zinc/65/02/83/813650283.db2.gz OSLICDPMZHBWNY-ONGXEEELSA-N 0 3 253.367 2.384 20 10 CECDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140058090 816180743 /nfs/dbraw/zinc/18/07/43/816180743.db2.gz SNKPMVFNJVSFGP-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC001140058090 816180746 /nfs/dbraw/zinc/18/07/46/816180746.db2.gz SNKPMVFNJVSFGP-GWCFXTLKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@]1(C)O ZINC001140058240 816180768 /nfs/dbraw/zinc/18/07/68/816180768.db2.gz WCBSIHKDBQIWST-YGRLFVJLSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@]1(C)O ZINC001140058240 816180771 /nfs/dbraw/zinc/18/07/71/816180771.db2.gz WCBSIHKDBQIWST-YGRLFVJLSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C)c(CN2CCN(c3cncnc3)CC2)c1O ZINC001140183677 816205632 /nfs/dbraw/zinc/20/56/32/816205632.db2.gz FYGVUASZOSQNIR-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN Cc1cnc(N2CCN(Cc3cc(C)ccc3O)CC2)nc1 ZINC001140624056 816306330 /nfs/dbraw/zinc/30/63/30/816306330.db2.gz DRWAPIVTGKVFQU-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN COC[C@H]1CCCC[N@@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031475 816450907 /nfs/dbraw/zinc/45/09/07/816450907.db2.gz GOKOQHIRUJNATP-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN COC[C@H]1CCCC[N@H+]1Cc1c([O-])cc(OC)cc1OC ZINC001141031475 816450914 /nfs/dbraw/zinc/45/09/14/816450914.db2.gz GOKOQHIRUJNATP-GFCCVEGCSA-N 0 3 295.379 2.410 20 10 CECDHN CO[C@@H]1CCCN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141138910 816483475 /nfs/dbraw/zinc/48/34/75/816483475.db2.gz CVRMKDBHLJEMBY-CQSZACIVSA-N 0 3 276.380 2.126 20 10 CECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000161794722 344465077 /nfs/dbraw/zinc/46/50/77/344465077.db2.gz JKVJEIUXEGUAFE-QGZVFWFLSA-N 0 3 290.407 2.134 20 10 CECDHN C[C@H](Cn1cccn1)NCc1ccc(N(C)C)c(F)c1 ZINC000113320683 364887278 /nfs/dbraw/zinc/88/72/78/364887278.db2.gz SIQJNXLRTGMIQC-GFCCVEGCSA-N 0 3 276.359 2.267 20 10 CECDHN Cn1cccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000161763490 367111560 /nfs/dbraw/zinc/11/15/60/367111560.db2.gz DDBNDISVFVYVLN-UHFFFAOYSA-N 0 3 285.391 2.152 20 10 CECDHN CO[C@@H]1CC[C@H]2OCCN(Cc3ccccc3O)[C@H]2C1 ZINC000245629241 370851367 /nfs/dbraw/zinc/85/13/67/370851367.db2.gz UQUXZCHFSJBNDS-IJEWVQPXSA-N 0 3 277.364 2.161 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000179585216 368342968 /nfs/dbraw/zinc/34/29/68/368342968.db2.gz FBLQHAPGKGNXGL-JSGCOSHPSA-N 0 3 265.378 2.099 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000179585216 368342973 /nfs/dbraw/zinc/34/29/73/368342973.db2.gz FBLQHAPGKGNXGL-JSGCOSHPSA-N 0 3 265.378 2.099 20 10 CECDHN Cc1cccc(C[NH+]2CCC(C(=O)N(C)C)CC2)c1[O-] ZINC000179590133 368343174 /nfs/dbraw/zinc/34/31/74/368343174.db2.gz FXITWVBXKWHGHK-UHFFFAOYSA-N 0 3 276.380 2.001 20 10 CECDHN CCOc1cccc(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC000179724052 368349148 /nfs/dbraw/zinc/34/91/48/368349148.db2.gz JEFADQMLJCYKNB-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1cccc(CN2CCC(C)(O)CC2)c1O ZINC000179724052 368349152 /nfs/dbraw/zinc/34/91/52/368349152.db2.gz JEFADQMLJCYKNB-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H](CO)C(C)(C)C ZINC000180240880 368372954 /nfs/dbraw/zinc/37/29/54/368372954.db2.gz QWDBSBWVBVXWAN-CYBMUJFWSA-N 0 3 255.333 2.370 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H](CO)C(C)(C)C ZINC000180240880 368372958 /nfs/dbraw/zinc/37/29/58/368372958.db2.gz QWDBSBWVBVXWAN-CYBMUJFWSA-N 0 3 255.333 2.370 20 10 CECDHN O=C(NC1CC[NH+](Cc2cc(F)ccc2[O-])CC1)C1CC1 ZINC000179906727 368356638 /nfs/dbraw/zinc/35/66/38/368356638.db2.gz GQTSDFDRIDUNKD-UHFFFAOYSA-N 0 3 292.354 2.022 20 10 CECDHN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180219871 368373266 /nfs/dbraw/zinc/37/32/66/368373266.db2.gz KCPFOICPFMELGA-NSHDSACASA-N 0 3 296.798 2.312 20 10 CECDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000180219871 368373270 /nfs/dbraw/zinc/37/32/70/368373270.db2.gz KCPFOICPFMELGA-NSHDSACASA-N 0 3 296.798 2.312 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000180260084 368374508 /nfs/dbraw/zinc/37/45/08/368374508.db2.gz JTLZNDHFFLZZJL-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000180260084 368374510 /nfs/dbraw/zinc/37/45/10/368374510.db2.gz JTLZNDHFFLZZJL-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN CNC(=O)CCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180506665 368384452 /nfs/dbraw/zinc/38/44/52/368384452.db2.gz MUOHGSHTWUQWCZ-UHFFFAOYSA-N 0 3 284.787 2.312 20 10 CECDHN CNC(=O)CCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180506665 368384455 /nfs/dbraw/zinc/38/44/55/368384455.db2.gz MUOHGSHTWUQWCZ-UHFFFAOYSA-N 0 3 284.787 2.312 20 10 CECDHN CCn1cc([C@@H](C)NCc2cc(OC)ccc2O)cn1 ZINC000180896723 368401467 /nfs/dbraw/zinc/40/14/67/368401467.db2.gz KMUWZUGOUBXIOM-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000187985348 369269035 /nfs/dbraw/zinc/26/90/35/369269035.db2.gz KNGNNEMKBUALRY-SKDRFNHKSA-N 0 3 285.771 2.305 20 10 CECDHN CO[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C ZINC000188320146 369338500 /nfs/dbraw/zinc/33/85/00/369338500.db2.gz KYODCBWVECGWON-HZMBPMFUSA-N 0 3 253.317 2.388 20 10 CECDHN CO[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1C ZINC000188320146 369338503 /nfs/dbraw/zinc/33/85/03/369338503.db2.gz KYODCBWVECGWON-HZMBPMFUSA-N 0 3 253.317 2.388 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000189980452 369585073 /nfs/dbraw/zinc/58/50/73/369585073.db2.gz YCUDYFRRDKBVDG-UHFFFAOYSA-N 0 3 290.342 2.035 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1OC ZINC000190303876 369611829 /nfs/dbraw/zinc/61/18/29/369611829.db2.gz BACNIPWPZPGLST-YPMHNXCESA-N 0 3 295.379 2.050 20 10 CECDHN COc1cc(Cl)cc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000191179266 369687811 /nfs/dbraw/zinc/68/78/11/369687811.db2.gz UNQSUJMMOIHUGU-JOYOIKCWSA-N 0 3 285.771 2.257 20 10 CECDHN COc1cc(Cl)cc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000191179266 369687817 /nfs/dbraw/zinc/68/78/17/369687817.db2.gz UNQSUJMMOIHUGU-JOYOIKCWSA-N 0 3 285.771 2.257 20 10 CECDHN COC(=O)[C@H]1[C@H]2CCC[C@@H]2CN1Cc1ccccc1O ZINC000191674029 369731894 /nfs/dbraw/zinc/73/18/94/369731894.db2.gz OLLPWFIICXHRQE-OSAQELSMSA-N 0 3 275.348 2.166 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000226610888 370349087 /nfs/dbraw/zinc/34/90/87/370349087.db2.gz INRNHCALACEULP-MFKMUULPSA-N 0 3 253.317 2.172 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cc(C)ccc1O ZINC000248876496 371261262 /nfs/dbraw/zinc/26/12/62/371261262.db2.gz WCHMKTPZKPUJMS-INWMFGNUSA-N 0 3 289.375 2.474 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1cccc(C)c1O ZINC000248846970 371255509 /nfs/dbraw/zinc/25/55/09/371255509.db2.gz PIEHNMUCQYYQEJ-SNPRPXQTSA-N 0 3 289.375 2.474 20 10 CECDHN CC[C@H](O)C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000268573878 372140553 /nfs/dbraw/zinc/14/05/53/372140553.db2.gz RQSUQNCUCJUYMU-LSDHHAIUSA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@H](O)C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000268573878 372140556 /nfs/dbraw/zinc/14/05/56/372140556.db2.gz RQSUQNCUCJUYMU-LSDHHAIUSA-N 0 3 279.380 2.144 20 10 CECDHN CC[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(N(C)C)cc1 ZINC000268802955 372230384 /nfs/dbraw/zinc/23/03/84/372230384.db2.gz DZXNSTASFIFWFY-UKRRQHHQSA-N 0 3 275.396 2.024 20 10 CECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000270003976 372632160 /nfs/dbraw/zinc/63/21/60/372632160.db2.gz SFOKLICDZZISQJ-SFHVURJKSA-N 0 3 299.370 2.300 20 10 CECDHN COc1ccc(O)c(CN2CCOCC3(CCC3)C2)c1 ZINC000363928390 372651976 /nfs/dbraw/zinc/65/19/76/372651976.db2.gz PCDXJVCSNUKKBL-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000270229962 372710292 /nfs/dbraw/zinc/71/02/92/372710292.db2.gz AFDDSEIOXINEQW-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN Cc1cccc(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c1O ZINC000366489495 373067588 /nfs/dbraw/zinc/06/75/88/373067588.db2.gz POGFJUPFLHSUOD-RHSMWYFYSA-N 0 3 291.391 2.471 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000366774296 373121703 /nfs/dbraw/zinc/12/17/03/373121703.db2.gz QMBPUTAQYWHSLM-NEPJUHHUSA-N 0 3 265.353 2.430 20 10 CECDHN COc1ccc([O-])c([C@H](C)[N@H+]2CCOC[C@H](C)C2)c1 ZINC000366774296 373121712 /nfs/dbraw/zinc/12/17/12/373121712.db2.gz QMBPUTAQYWHSLM-NEPJUHHUSA-N 0 3 265.353 2.430 20 10 CECDHN CN(C)c1ccc(C2=CCN(CCc3ccnn3C)C2)cc1 ZINC000367121772 373137816 /nfs/dbraw/zinc/13/78/16/373137816.db2.gz SLXGFHSIHFUCDI-UHFFFAOYSA-N 0 3 296.418 2.428 20 10 CECDHN C[C@H]([NH2+][C@H]1CC(=O)N2CCCC[C@H]12)c1ccccc1[O-] ZINC000367203193 373141990 /nfs/dbraw/zinc/14/19/90/373141990.db2.gz CHZYEBDIWKFSHM-FPMFFAJLSA-N 0 3 274.364 2.196 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@](C)(O)c2cccs2)c1 ZINC000271877520 373202774 /nfs/dbraw/zinc/20/27/74/373202774.db2.gz ZUIZQDFSZBVFMM-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2cccs2)c1 ZINC000271877523 373204728 /nfs/dbraw/zinc/20/47/28/373204728.db2.gz ZUIZQDFSZBVFMM-OAHLLOKOSA-N 0 3 293.388 2.460 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)c2cnn(C)c2)c([O-])c1C ZINC000273555407 373765566 /nfs/dbraw/zinc/76/55/66/373765566.db2.gz GUCYPLAFKLUZET-SWLSCSKDSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1cc(CN[C@H](C)Cn2cccn2)ccc1N(C)C ZINC000274353968 373892533 /nfs/dbraw/zinc/89/25/33/373892533.db2.gz IQJBJIRUQPIRJB-CQSZACIVSA-N 0 3 272.396 2.436 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374998460 374639202 /nfs/dbraw/zinc/63/92/02/374639202.db2.gz NLLQCFMNIJXDMZ-OLZOCXBDSA-N 0 3 277.364 2.259 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000374998460 374639212 /nfs/dbraw/zinc/63/92/12/374639212.db2.gz NLLQCFMNIJXDMZ-OLZOCXBDSA-N 0 3 277.364 2.259 20 10 CECDHN CCC[C@]1([NH2+]Cc2cccc(OC)c2[O-])CCOC1 ZINC000285429770 375837989 /nfs/dbraw/zinc/83/79/89/375837989.db2.gz HIAKHWPWIRDNGV-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCc2cnn(C)n2)c([O-])c1 ZINC000293646150 377673803 /nfs/dbraw/zinc/67/38/03/377673803.db2.gz HOCZWHVAJHKCEB-CYBMUJFWSA-N 0 3 288.395 2.421 20 10 CECDHN CCCOc1ccc(CN2CC3(C2)CCOC3)c(O)c1 ZINC000293884872 377807385 /nfs/dbraw/zinc/80/73/85/377807385.db2.gz DGNHAVFBVCTOEQ-UHFFFAOYSA-N 0 3 277.364 2.403 20 10 CECDHN CCn1cc([C@H](C)NCc2cccc(OC)c2O)cn1 ZINC000294760130 378018109 /nfs/dbraw/zinc/01/81/09/378018109.db2.gz DYSNMKVGDWRGPL-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN CCCOc1ccc(C[N@H+](C)[C@@H](CC)CO)c([O-])c1 ZINC000295061637 378038989 /nfs/dbraw/zinc/03/89/89/378038989.db2.gz GPHACTKSESNPKB-ZDUSSCGKSA-N 0 3 267.369 2.384 20 10 CECDHN CCCOc1ccc(C[N@@H+](C)[C@@H](CC)CO)c([O-])c1 ZINC000295061637 378038992 /nfs/dbraw/zinc/03/89/92/378038992.db2.gz GPHACTKSESNPKB-ZDUSSCGKSA-N 0 3 267.369 2.384 20 10 CECDHN COCCN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000296224419 378459569 /nfs/dbraw/zinc/45/95/69/378459569.db2.gz ZYDBFXKJJGOWGL-OAHLLOKOSA-N 0 3 290.407 2.080 20 10 CECDHN CCn1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000296890247 378657631 /nfs/dbraw/zinc/65/76/31/378657631.db2.gz OMAWLXMOPZDXEM-ZDUSSCGKSA-N 0 3 257.337 2.386 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCO[C@@H]1CCOC1)CC2 ZINC000297540145 378686633 /nfs/dbraw/zinc/68/66/33/378686633.db2.gz DYWBIMHDKVUDBG-ZIAGYGMSSA-N 0 3 277.364 2.165 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000529636797 380181116 /nfs/dbraw/zinc/18/11/16/380181116.db2.gz HIEHTJYIRVCCAW-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN COc1cc([O-])c(C[NH2+]CC2CC=CC2)cc1OC ZINC000529641175 380181196 /nfs/dbraw/zinc/18/11/96/380181196.db2.gz NXLXVYHLZFWKJW-UHFFFAOYSA-N 0 3 263.337 2.465 20 10 CECDHN CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000185510810 262057681 /nfs/dbraw/zinc/05/76/81/262057681.db2.gz ASDMJINHUITFHY-UHIISALHSA-N 0 3 269.410 2.464 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)C[C@@H](C)O)c1 ZINC000185521170 262305911 /nfs/dbraw/zinc/30/59/11/262305911.db2.gz UREYOKZFOMPGCO-TUAOUCFPSA-N 0 3 267.369 2.458 20 10 CECDHN CNC(=O)CC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000093587627 394667154 /nfs/dbraw/zinc/66/71/54/394667154.db2.gz NXJWDOWLTUYMFG-UHFFFAOYSA-N 0 3 289.423 2.101 20 10 CECDHN CC(C)N1C[C@@H](N[C@H](C)c2ccc(N(C)C)cc2)CC1=O ZINC000271554017 394758437 /nfs/dbraw/zinc/75/84/37/394758437.db2.gz WLEHMXLDYZPZQK-HIFRSBDPSA-N 0 3 289.423 2.413 20 10 CECDHN COc1ccc(N2CCN(CCCF)CC2)cc1 ZINC000119051038 394763647 /nfs/dbraw/zinc/76/36/47/394763647.db2.gz RHWOCEFWIRHBKL-UHFFFAOYSA-N 0 3 252.333 2.177 20 10 CECDHN CN(C)c1ccc(CN[C@]2(C)CCOC2)cc1F ZINC000120245262 394777562 /nfs/dbraw/zinc/77/75/62/394777562.db2.gz UWRIAONFCGRMPR-CQSZACIVSA-N 0 3 252.333 2.160 20 10 CECDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H](C)C1 ZINC000282367580 394918263 /nfs/dbraw/zinc/91/82/63/394918263.db2.gz QCINKKGMFFALDE-CMPLNLGQSA-N 0 3 279.336 2.120 20 10 CECDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H](C)C1 ZINC000282367580 394918265 /nfs/dbraw/zinc/91/82/65/394918265.db2.gz QCINKKGMFFALDE-CMPLNLGQSA-N 0 3 279.336 2.120 20 10 CECDHN COc1ccc(O)c(CN2CCN(CC(C)C)CC2)c1 ZINC000133840329 394955237 /nfs/dbraw/zinc/95/52/37/394955237.db2.gz YFBLAEIWMCVODI-UHFFFAOYSA-N 0 3 278.396 2.174 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@@H]3CCC[C@H]31)OCO2 ZINC000374096316 395073426 /nfs/dbraw/zinc/07/34/26/395073426.db2.gz WYUQPFROSRWUON-TZMCWYRMSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@@H]3CCC[C@H]31)OCO2 ZINC000374096316 395073427 /nfs/dbraw/zinc/07/34/27/395073427.db2.gz WYUQPFROSRWUON-TZMCWYRMSA-N 0 3 291.347 2.264 20 10 CECDHN Oc1cc2c(cc1CN1CCCO[C@@H]3CCC[C@H]31)OCO2 ZINC000374096316 395073430 /nfs/dbraw/zinc/07/34/30/395073430.db2.gz WYUQPFROSRWUON-TZMCWYRMSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCSC(F)(F)F)OCO2 ZINC000171128295 395093811 /nfs/dbraw/zinc/09/38/11/395093811.db2.gz HUYSTRADGZMZFQ-UHFFFAOYSA-N 0 3 295.282 2.464 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372127479 395035386 /nfs/dbraw/zinc/03/53/86/395035386.db2.gz CISFLTFAGKOTEU-UHFFFAOYSA-N 0 3 295.354 2.303 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000372127479 395035388 /nfs/dbraw/zinc/03/53/88/395035388.db2.gz CISFLTFAGKOTEU-UHFFFAOYSA-N 0 3 295.354 2.303 20 10 CECDHN CN1CCc2cc(CNCc3cnc4cnccn34)ccc21 ZINC000372353817 395040728 /nfs/dbraw/zinc/04/07/28/395040728.db2.gz ANRFPOGGMYVYCA-UHFFFAOYSA-N 0 3 293.374 2.011 20 10 CECDHN Cc1cccc(CN2CCN(Cc3ccncc3)CC2)c1O ZINC000182041914 395230448 /nfs/dbraw/zinc/23/04/48/395230448.db2.gz OFCHKVOXUJCMBD-UHFFFAOYSA-N 0 3 297.402 2.413 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1[O-] ZINC000293052757 395216916 /nfs/dbraw/zinc/21/69/16/395216916.db2.gz RRHQFAPPKBDTGE-LRDDRELGSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1[O-] ZINC000020201392 171065250 /nfs/dbraw/zinc/06/52/50/171065250.db2.gz BCQJSYLFBGMZAC-CQSZACIVSA-N 0 3 280.412 2.467 20 10 CECDHN CC(C)C[C@@H](C[NH2+]Cc1ccccc1[O-])N(C)C ZINC000020201263 171065266 /nfs/dbraw/zinc/06/52/66/171065266.db2.gz UEFTWVDFTSWMPN-AWEZNQCLSA-N 0 3 250.386 2.458 20 10 CECDHN O=C(c1cccc2c1CCNC2)N1CCNc2ccccc21 ZINC000662779534 415960156 /nfs/dbraw/zinc/96/01/56/415960156.db2.gz KTOGLOQROPTMDM-UHFFFAOYSA-N 0 3 293.370 2.405 20 10 CECDHN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(OC)c2[O-])[C@H]1SC ZINC000298198598 260147542 /nfs/dbraw/zinc/14/75/42/260147542.db2.gz XQTMMHFBWKJNCI-UXIGCNINSA-N 0 3 297.420 2.399 20 10 CECDHN CCCNC(=O)CN[C@@H](CC)c1ccc(N(C)C)cc1 ZINC000158329130 261163219 /nfs/dbraw/zinc/16/32/19/261163219.db2.gz FGVJEZUQCZJKQS-HNNXBMFYSA-N 0 3 277.412 2.320 20 10 CECDHN CC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000184705980 262026706 /nfs/dbraw/zinc/02/67/06/262026706.db2.gz KIIJXCXVYWGDEP-CYBMUJFWSA-N 0 3 273.760 2.305 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185009006 262038343 /nfs/dbraw/zinc/03/83/43/262038343.db2.gz WWUSOPNHQVWSOJ-LBPRGKRZSA-N 0 3 284.375 2.150 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC000185504756 262057010 /nfs/dbraw/zinc/05/70/10/262057010.db2.gz GQSGABZFUCWGEE-LSDHHAIUSA-N 0 3 292.423 2.320 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCOCC2)c([O-])c1 ZINC000185505313 262057622 /nfs/dbraw/zinc/05/76/22/262057622.db2.gz CFFYKTKPCBHKPE-LSDHHAIUSA-N 0 3 292.423 2.320 20 10 CECDHN CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185511817 262057988 /nfs/dbraw/zinc/05/79/88/262057988.db2.gz PLIVAYKIDZMTGZ-MISXGVKJSA-N 0 3 269.410 2.464 20 10 CECDHN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185674165 262065962 /nfs/dbraw/zinc/06/59/62/262065962.db2.gz YSKWLTZHDGPNJF-MDZLAQPJSA-N 0 3 283.343 2.376 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000186089009 262078771 /nfs/dbraw/zinc/07/87/71/262078771.db2.gz UEPULYAPHJGNFC-NWDGAFQWSA-N 0 3 274.364 2.115 20 10 CECDHN CC[C@@H](C)[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171610 262247568 /nfs/dbraw/zinc/24/75/68/262247568.db2.gz IZYLWUQWHLELGN-CJNGLKHVSA-N 0 3 289.423 2.276 20 10 CECDHN COc1cc(CNCc2cccc(C)c2O)ccn1 ZINC000124798239 262562447 /nfs/dbraw/zinc/56/24/47/262562447.db2.gz JCOZAKAHAJWUJG-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1cc(O)c(CN2CCOCC[C@H]2C)cc1OC ZINC000367684347 267108831 /nfs/dbraw/zinc/10/88/31/267108831.db2.gz MZNSGAUFCOVCNJ-LLVKDONJSA-N 0 3 281.352 2.020 20 10 CECDHN CO[C@@H](C)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000367821021 267119868 /nfs/dbraw/zinc/11/98/68/267119868.db2.gz MJQYMYJHSFLACY-ZDUSSCGKSA-N 0 3 260.381 2.487 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368045722 267142124 /nfs/dbraw/zinc/14/21/24/267142124.db2.gz WEZUEGGVIYPXEM-DMEJVMROSA-N 0 3 288.391 2.429 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368045722 267142126 /nfs/dbraw/zinc/14/21/26/267142126.db2.gz WEZUEGGVIYPXEM-DMEJVMROSA-N 0 3 288.391 2.429 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000368331502 267163246 /nfs/dbraw/zinc/16/32/46/267163246.db2.gz KALPXDXSFBDPDC-COMQUAJESA-N 0 3 288.391 2.361 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000368334609 267163752 /nfs/dbraw/zinc/16/37/52/267163752.db2.gz WEOLCEVXZKTLFZ-HIFRSBDPSA-N 0 3 290.407 2.214 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2cn[nH]c2C1)c1ccc(F)cc1[O-] ZINC000370399376 267316166 /nfs/dbraw/zinc/31/61/66/267316166.db2.gz UCGWHZOQXRZIEW-BXKDBHETSA-N 0 3 275.327 2.463 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371310499 267385993 /nfs/dbraw/zinc/38/59/93/267385993.db2.gz LIQCONOOWRFZQO-OCCSQVGLSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1[O-] ZINC000371310499 267385999 /nfs/dbraw/zinc/38/59/99/267385999.db2.gz LIQCONOOWRFZQO-OCCSQVGLSA-N 0 3 277.364 2.259 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000280054242 276533230 /nfs/dbraw/zinc/53/32/30/276533230.db2.gz JTNGOXHZLIKEGC-WCQYABFASA-N 0 3 264.369 2.218 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cnn(C)c1 ZINC000297704519 278375630 /nfs/dbraw/zinc/37/56/30/278375630.db2.gz MOAUQPHCPXQASX-ZWNOBZJWSA-N 0 3 257.337 2.464 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCN(C(C)C)C1=O)c1ccccc1[O-] ZINC000183338837 327819597 /nfs/dbraw/zinc/81/95/97/327819597.db2.gz IXMMHCNEGPJQQW-UONOGXRCSA-N 0 3 276.380 2.442 20 10 CECDHN C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1ccccc1[O-] ZINC000272861340 328201129 /nfs/dbraw/zinc/20/11/29/328201129.db2.gz MXZVZROCIBONSB-LDYMZIIASA-N 0 3 263.259 2.356 20 10 CECDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000290104584 328257855 /nfs/dbraw/zinc/25/78/55/328257855.db2.gz IFDXOJKMGPXKFG-XBFCOCLRSA-N 0 3 265.353 2.073 20 10 CECDHN CO[C@H]1COC[C@@H]1N[C@H](C)c1ccc(C)c(C)c1O ZINC000290104584 328257857 /nfs/dbraw/zinc/25/78/57/328257857.db2.gz IFDXOJKMGPXKFG-XBFCOCLRSA-N 0 3 265.353 2.073 20 10 CECDHN C[S@@](=O)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCC1 ZINC000296240962 327091352 /nfs/dbraw/zinc/09/13/52/327091352.db2.gz AUUXTQBWMRWVEP-CWTRNNRKSA-N 0 3 279.405 2.270 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253843 327191195 /nfs/dbraw/zinc/19/11/95/327191195.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCCN(C)C2)c1 ZINC000092253843 327191196 /nfs/dbraw/zinc/19/11/96/327191196.db2.gz ZNENIVZODXOCIT-CQSZACIVSA-N 0 3 262.397 2.474 20 10 CECDHN Cc1cc(Cl)cc(CN(C)[C@@H]2CCCCNC2=O)c1O ZINC000378439507 329050245 /nfs/dbraw/zinc/05/02/45/329050245.db2.gz QMUMXFKZXQKEMX-CYBMUJFWSA-N 0 3 296.798 2.455 20 10 CECDHN COCCCN1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378501418 329053378 /nfs/dbraw/zinc/05/33/78/329053378.db2.gz YRYUOXZNJQMRIU-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN COCCCN1CCC[N@@H+](Cc2cccc(F)c2[O-])CC1 ZINC000378501418 329053379 /nfs/dbraw/zinc/05/33/79/329053379.db2.gz YRYUOXZNJQMRIU-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN COCCC[N@@H+]1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000378501418 329053380 /nfs/dbraw/zinc/05/33/80/329053380.db2.gz YRYUOXZNJQMRIU-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN COCCC[N@H+]1CCCN(Cc2cccc(F)c2[O-])CC1 ZINC000378501418 329053381 /nfs/dbraw/zinc/05/33/81/329053381.db2.gz YRYUOXZNJQMRIU-UHFFFAOYSA-N 0 3 296.386 2.076 20 10 CECDHN C[C@H]([NH2+][C@H]1CCN(c2ccn(C)n2)C1)c1ccccc1[O-] ZINC000360001951 329069759 /nfs/dbraw/zinc/06/97/59/329069759.db2.gz WYRRLWHWEANGCZ-STQMWFEESA-N 0 3 286.379 2.055 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(c2ccn(C)n2)C1)c1ccccc1[O-] ZINC000360001950 329069776 /nfs/dbraw/zinc/06/97/76/329069776.db2.gz WYRRLWHWEANGCZ-QWHCGFSZSA-N 0 3 286.379 2.055 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952597 329213756 /nfs/dbraw/zinc/21/37/56/329213756.db2.gz DPQUQJHXDYDOLS-CYBMUJFWSA-N 0 3 266.772 2.326 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000179952597 329213758 /nfs/dbraw/zinc/21/37/58/329213758.db2.gz DPQUQJHXDYDOLS-CYBMUJFWSA-N 0 3 266.772 2.326 20 10 CECDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C1CC1 ZINC000226607792 329262182 /nfs/dbraw/zinc/26/21/82/329262182.db2.gz XYWKXBZZPMCWSE-JTQLQIEISA-N 0 3 252.333 2.104 20 10 CECDHN CC1(C)OC[C@@H]2C[C@@]21NCc1ccc2c(c1)CCO2 ZINC000527767089 330281773 /nfs/dbraw/zinc/28/17/73/330281773.db2.gz RWOPHOCPVFZMOH-XJKSGUPXSA-N 0 3 259.349 2.279 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC23CC(C2)CO3)c1 ZINC000527978356 330302228 /nfs/dbraw/zinc/30/22/28/330302228.db2.gz HTWBYJWOZFLXSH-NLTNOIMHSA-N 0 3 263.337 2.230 20 10 CECDHN CCC[C@@H](CCO)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224876578 333226920 /nfs/dbraw/zinc/22/69/20/333226920.db2.gz RXIRSTYMVCMMLA-LBPRGKRZSA-N 0 3 267.369 2.289 20 10 CECDHN CO[C@@]1(C)CCC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000230299909 333316150 /nfs/dbraw/zinc/31/61/50/333316150.db2.gz AZSGMJQTWINAAZ-HNNXBMFYSA-N 0 3 279.336 2.122 20 10 CECDHN CO[C@@]1(C)CCC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000230299909 333316152 /nfs/dbraw/zinc/31/61/52/333316152.db2.gz AZSGMJQTWINAAZ-HNNXBMFYSA-N 0 3 279.336 2.122 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC[C@H](C)CO)c1 ZINC000230669734 333320291 /nfs/dbraw/zinc/32/02/91/333320291.db2.gz FCCDDBYQABVROY-RYUDHWBXSA-N 0 3 267.369 2.460 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C1Cc3ccccc3C1)OCO2 ZINC000231032127 333323709 /nfs/dbraw/zinc/32/37/09/333323709.db2.gz XXZQCNCSDVPKRQ-UHFFFAOYSA-N 0 3 283.327 2.378 20 10 CECDHN CC[C@H](CSC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000163873219 522284481 /nfs/dbraw/zinc/28/44/81/522284481.db2.gz UMIGJSCYXXFRQN-SNVBAGLBSA-N 0 3 269.366 2.352 20 10 CECDHN CC1CCN(c2ccc(CNC(=O)C(C)(C)N)cc2)CC1 ZINC000236730710 521040142 /nfs/dbraw/zinc/04/01/42/521040142.db2.gz HJQFQHRUNFIJMB-UHFFFAOYSA-N 0 3 289.423 2.276 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126797973 521145682 /nfs/dbraw/zinc/14/56/82/521145682.db2.gz GBQBGAPATRMLKS-PBWFPOADSA-N 0 3 277.364 2.279 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126797973 521145686 /nfs/dbraw/zinc/14/56/86/521145686.db2.gz GBQBGAPATRMLKS-PBWFPOADSA-N 0 3 277.364 2.279 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000277911699 521155683 /nfs/dbraw/zinc/15/56/83/521155683.db2.gz PMJYBSHARPNMHC-FZMZJTMJSA-N 0 3 265.353 2.306 20 10 CECDHN CCOc1cccc(C[N@H+](C)CCCCCO)c1[O-] ZINC000279345551 521329410 /nfs/dbraw/zinc/32/94/10/521329410.db2.gz FPKFAKUTASTQEA-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCOc1cccc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000279345551 521329420 /nfs/dbraw/zinc/32/94/20/521329420.db2.gz FPKFAKUTASTQEA-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN COC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000045656220 522581942 /nfs/dbraw/zinc/58/19/42/522581942.db2.gz UIWNBNQOJSPKRQ-MNOVXSKESA-N 0 3 253.342 2.334 20 10 CECDHN COC(=O)C(C)(C)CCNCc1ccc2c(c1)CCO2 ZINC000281008370 522771436 /nfs/dbraw/zinc/77/14/36/522771436.db2.gz WODFLIGKHIKYOP-UHFFFAOYSA-N 0 3 277.364 2.300 20 10 CECDHN COC[C@H](O)CN(C)Cc1ccc(N2CCCCC2)cc1 ZINC000125912561 522782587 /nfs/dbraw/zinc/78/25/87/522782587.db2.gz XSVUWNDNBAACJC-QGZVFWFLSA-N 0 3 292.423 2.116 20 10 CECDHN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4cc(F)ccc4[O-])[C@H]1[C@H]3C2 ZINC000289777726 523789590 /nfs/dbraw/zinc/78/95/90/523789590.db2.gz RNLBQEWWDFBERV-VSGLDEAGSA-N 0 3 277.339 2.387 20 10 CECDHN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)ccc4[O-])[C@H]1[C@H]3C2 ZINC000289777726 523789593 /nfs/dbraw/zinc/78/95/93/523789593.db2.gz RNLBQEWWDFBERV-VSGLDEAGSA-N 0 3 277.339 2.387 20 10 CECDHN C[C@H](CCN(C)C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000049553262 524166175 /nfs/dbraw/zinc/16/61/75/524166175.db2.gz HANIRLMKTGNOSY-SNVBAGLBSA-N 0 3 256.777 2.475 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290553975 524406462 /nfs/dbraw/zinc/40/64/62/524406462.db2.gz RZKVGAJYSBTRML-HNNXBMFYSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1[O-] ZINC000290553975 524406469 /nfs/dbraw/zinc/40/64/69/524406469.db2.gz RZKVGAJYSBTRML-HNNXBMFYSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1O ZINC000280370279 524410411 /nfs/dbraw/zinc/41/04/11/524410411.db2.gz DJSZNYLNNUBOJE-ZQIUZPCESA-N 0 3 291.391 2.469 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000290665332 524733624 /nfs/dbraw/zinc/73/36/24/524733624.db2.gz ZZQLGUSILLEQGX-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](CO)CC(C)C)c1 ZINC000290665332 524733629 /nfs/dbraw/zinc/73/36/29/524733629.db2.gz ZZQLGUSILLEQGX-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C1CC1 ZINC000297776136 524751857 /nfs/dbraw/zinc/75/18/57/524751857.db2.gz PLLHELHKQBBQFV-SMDDNHRTSA-N 0 3 260.381 2.452 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCCO)c1 ZINC000094941815 524766700 /nfs/dbraw/zinc/76/67/00/524766700.db2.gz ANWWKFZPSRKPCU-GHMZBOCLSA-N 0 3 253.342 2.212 20 10 CECDHN Cc1cc(O)c(CN(C)[C@H](C)C[S@](C)=O)cc1C ZINC000131074392 525313800 /nfs/dbraw/zinc/31/38/00/525313800.db2.gz KBHPJRDWIARFGC-KZULUSFZSA-N 0 3 269.410 2.208 20 10 CECDHN C[C@@H](NCc1cc2c(cc1O)OCO2)c1cccnc1 ZINC000042879456 525515517 /nfs/dbraw/zinc/51/55/17/525515517.db2.gz LNICXYFYIJHQAP-SNVBAGLBSA-N 0 3 272.304 2.367 20 10 CECDHN C[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282687 525675500 /nfs/dbraw/zinc/67/55/00/525675500.db2.gz VPZRJARNOYWIMO-DOMZBBRYSA-N 0 3 275.396 2.072 20 10 CECDHN C[C@@](O)(CNCc1ccc2c(c1)CCO2)c1ccco1 ZINC000266170351 525775815 /nfs/dbraw/zinc/77/58/15/525775815.db2.gz QVMXKZNLMPSALO-MRXNPFEDSA-N 0 3 273.332 2.212 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CCSC2)c1[O-] ZINC000130587982 525917595 /nfs/dbraw/zinc/91/75/95/525917595.db2.gz FKULEOPDTJDUIW-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CCSC2)c1[O-] ZINC000130587982 525917605 /nfs/dbraw/zinc/91/76/05/525917605.db2.gz FKULEOPDTJDUIW-NSHDSACASA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(CNCc2ccc3c(c2)OCO3)c1O ZINC000020124389 526025799 /nfs/dbraw/zinc/02/57/99/526025799.db2.gz FCULIOGFLZYXQJ-UHFFFAOYSA-N 0 3 287.315 2.419 20 10 CECDHN Cc1cc(Br)cc(C[N@H+](C)C[C@@H](C)O)c1[O-] ZINC000130666515 526156691 /nfs/dbraw/zinc/15/66/91/526156691.db2.gz GMANEQPHLFYILW-SECBINFHSA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc(C[N@@H+](C)C[C@@H](C)O)c1[O-] ZINC000130666515 526156685 /nfs/dbraw/zinc/15/66/85/526156685.db2.gz GMANEQPHLFYILW-SECBINFHSA-N 0 3 288.185 2.276 20 10 CECDHN Cc1cc(Br)cc([C@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000187049378 526160522 /nfs/dbraw/zinc/16/05/22/526160522.db2.gz WSIIXGHUUHXWOV-BDAKNGLRSA-N 0 3 288.185 2.495 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000290270833 526351055 /nfs/dbraw/zinc/35/10/55/526351055.db2.gz XVULRCQUPRLMSQ-XJKSGUPXSA-N 0 3 289.306 2.116 20 10 CECDHN CC(C)(C)[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000732273621 574616816 /nfs/dbraw/zinc/61/68/16/574616816.db2.gz FHKHALRZYUWOKC-UHFFFAOYSA-N 0 3 282.409 2.446 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@@](C)(O)C2CC2)c1 ZINC000732669672 574625591 /nfs/dbraw/zinc/62/55/91/574625591.db2.gz RASFFVZTKOORHF-OAHLLOKOSA-N 0 3 265.353 2.042 20 10 CECDHN CN1CC[C@@H]([N@H+](C)Cc2c([O-])ccc3ccccc32)C1=O ZINC000738265528 574856416 /nfs/dbraw/zinc/85/64/16/574856416.db2.gz HPMWQFVFEYQNGW-OAHLLOKOSA-N 0 3 284.359 2.208 20 10 CECDHN CN1CC[C@@H]([N@@H+](C)Cc2c([O-])ccc3ccccc32)C1=O ZINC000738265528 574856417 /nfs/dbraw/zinc/85/64/17/574856417.db2.gz HPMWQFVFEYQNGW-OAHLLOKOSA-N 0 3 284.359 2.208 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)COC)c([O-])c1 ZINC000738441050 574863428 /nfs/dbraw/zinc/86/34/28/574863428.db2.gz ZZIWDDKUWNQALS-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc([O-])cs2)C1 ZINC000743784789 575109431 /nfs/dbraw/zinc/10/94/31/575109431.db2.gz MDFGJWDNFNFBSK-SNVBAGLBSA-N 0 3 268.382 2.010 20 10 CECDHN C[C@H](CNC(=O)NCc1ccccc1O)N1CCCCC1 ZINC000748460323 575187308 /nfs/dbraw/zinc/18/73/08/575187308.db2.gz NYNCATRWJNDKAM-CYBMUJFWSA-N 0 3 291.395 2.066 20 10 CECDHN COc1ccc(CNC[C@@H](O)c2ccco2)cc1C ZINC000078879403 623708415 /nfs/dbraw/zinc/70/84/15/623708415.db2.gz JHEKZLKLDBQBOX-CYBMUJFWSA-N 0 3 261.321 2.420 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000310711648 625905494 /nfs/dbraw/zinc/90/54/94/625905494.db2.gz CTSJFYXOSZBHFK-MFKMUULPSA-N 0 3 253.317 2.172 20 10 CECDHN Cc1ccnc(N)c1CN(C)Cc1ccccc1O ZINC000893962879 629058953 /nfs/dbraw/zinc/05/89/53/629058953.db2.gz UZMBCPRSKROWHZ-UHFFFAOYSA-N 0 3 257.337 2.310 20 10 CECDHN CC(C)CN1CCO[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000248385271 629141883 /nfs/dbraw/zinc/14/18/83/629141883.db2.gz HSXGHLZSOFBXKJ-HUUCEWRRSA-N 0 3 292.423 2.400 20 10 CECDHN CC[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccc(C)cc1[O-] ZINC000794819364 629328756 /nfs/dbraw/zinc/32/87/56/629328756.db2.gz VJFYTMLNFYLPDN-CQSZACIVSA-N 0 3 276.380 2.268 20 10 CECDHN COc1ccc(CN2C[C@H](C)[C@@H]2C)c(O)c1OC ZINC000894627534 629561740 /nfs/dbraw/zinc/56/17/40/629561740.db2.gz IXBKSJXYWAJFLY-UWVGGRQHSA-N 0 3 251.326 2.250 20 10 CECDHN Cc1cnn(C)c1CNCc1ccc(N(C)C)cc1C ZINC000796306037 629838628 /nfs/dbraw/zinc/83/86/28/629838628.db2.gz BLEPCHPMHXCLAD-UHFFFAOYSA-N 0 3 272.396 2.393 20 10 CECDHN Oc1ccccc1CN1CCc2nc[nH]c2C12CCOCC2 ZINC000895071889 629853749 /nfs/dbraw/zinc/85/37/49/629853749.db2.gz WAGNZBAYQMGFHX-UHFFFAOYSA-N 0 3 299.374 2.179 20 10 CECDHN CC[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1ccccc1[O-] ZINC000895132934 629940526 /nfs/dbraw/zinc/94/05/26/629940526.db2.gz COJGQXNUUBRZRL-CQSZACIVSA-N 0 3 287.363 2.360 20 10 CECDHN CC1=NO[C@@H](CNCc2ccc(N(C)C)cc2C)C1 ZINC000895300878 630090582 /nfs/dbraw/zinc/09/05/82/630090582.db2.gz WJYLGAAWFYLJEE-OAHLLOKOSA-N 0 3 261.369 2.315 20 10 CECDHN CC1=NO[C@H](CNCc2ccc(N(C)C)cc2C)C1 ZINC000895300877 630090823 /nfs/dbraw/zinc/09/08/23/630090823.db2.gz WJYLGAAWFYLJEE-HNNXBMFYSA-N 0 3 261.369 2.315 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797071306 630123791 /nfs/dbraw/zinc/12/37/91/630123791.db2.gz RFDUDFZXJYRDEU-YPMHNXCESA-N 0 3 297.420 2.399 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000895590536 630268055 /nfs/dbraw/zinc/26/80/55/630268055.db2.gz HALUINQOCSCNQK-LBPRGKRZSA-N 0 3 279.311 2.065 20 10 CECDHN CN(C)Cc1cnc(CNCc2c(O)cccc2F)s1 ZINC000896638055 630621566 /nfs/dbraw/zinc/62/15/66/630621566.db2.gz OEIHBTZNDHPUJK-UHFFFAOYSA-N 0 3 295.383 2.339 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799307625 631006805 /nfs/dbraw/zinc/00/68/05/631006805.db2.gz NFIAZPKVVFZMQT-HNNXBMFYSA-N 0 3 276.311 2.092 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)c1ccc(F)cn1 ZINC000799307625 631006809 /nfs/dbraw/zinc/00/68/09/631006809.db2.gz NFIAZPKVVFZMQT-HNNXBMFYSA-N 0 3 276.311 2.092 20 10 CECDHN Cc1cc([O-])c(CN2CC[NH2+]C[C@@](C)(F)C2)c(Cl)c1 ZINC000843124714 631736547 /nfs/dbraw/zinc/73/65/47/631736547.db2.gz FTSUZKIBKWOYSD-CQSZACIVSA-N 0 3 286.778 2.487 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(C)C2)c1[O-] ZINC000808715815 632005035 /nfs/dbraw/zinc/00/50/35/632005035.db2.gz XNQXPRRAQAQMLA-ABAIWWIYSA-N 0 3 298.814 2.071 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142132 632067960 /nfs/dbraw/zinc/06/79/60/632067960.db2.gz IZNBTLLRNKXEIG-SJLPKXTDSA-N 0 3 283.371 2.428 20 10 CECDHN [O-]c1ccccc1C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000898142132 632067964 /nfs/dbraw/zinc/06/79/64/632067964.db2.gz IZNBTLLRNKXEIG-SJLPKXTDSA-N 0 3 283.371 2.428 20 10 CECDHN OCCc1ccc(CNCc2ccc3c(c2)CCO3)cc1 ZINC000898172598 632080731 /nfs/dbraw/zinc/08/07/31/632080731.db2.gz QHDJBMILHXFQNE-UHFFFAOYSA-N 0 3 283.371 2.446 20 10 CECDHN C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840179325 632093928 /nfs/dbraw/zinc/09/39/28/632093928.db2.gz ALEDMKATFAEJNE-QMTHXVAHSA-N 0 3 277.364 2.438 20 10 CECDHN C[C@@H]1CC(C)(C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000840179325 632093936 /nfs/dbraw/zinc/09/39/36/632093936.db2.gz ALEDMKATFAEJNE-QMTHXVAHSA-N 0 3 277.364 2.438 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@H](O)C(F)(F)F)c([O-])c1 ZINC000809743649 632136193 /nfs/dbraw/zinc/13/61/93/632136193.db2.gz YPKNTXDJYXQXAT-LBPRGKRZSA-N 0 3 293.285 2.194 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1Cc2ccccc2[C@@H]1O ZINC000898392838 632474881 /nfs/dbraw/zinc/47/48/81/632474881.db2.gz NGSLDGGLOBVCQT-HOCLYGCPSA-N 0 3 255.317 2.140 20 10 CECDHN COCC[C@H]1COCCN1Cc1cc(C)cc(C)c1O ZINC000812299619 632505780 /nfs/dbraw/zinc/50/57/80/632505780.db2.gz ODASZFGSPKFJOE-HNNXBMFYSA-N 0 3 279.380 2.246 20 10 CECDHN CCc1cccc(CN2CCCNC(=O)[C@@H]2CC)c1O ZINC000898559508 632537755 /nfs/dbraw/zinc/53/77/55/632537755.db2.gz NTPVUOKVDKRRFJ-AWEZNQCLSA-N 0 3 276.380 2.055 20 10 CECDHN C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cc([O-])cs2)C12CCC2 ZINC000898841620 632618016 /nfs/dbraw/zinc/61/80/16/632618016.db2.gz XUPXRUJIHZCYDT-NEPJUHHUSA-N 0 3 280.393 2.056 20 10 CECDHN CC[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1[O-] ZINC000817410867 633651264 /nfs/dbraw/zinc/65/12/64/633651264.db2.gz IXXRLGHPKRAYJZ-GFCCVEGCSA-N 0 3 262.353 2.089 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC000817415461 633654887 /nfs/dbraw/zinc/65/48/87/633654887.db2.gz XGPVANFZKGAWLP-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC000817415461 633654890 /nfs/dbraw/zinc/65/48/90/633654890.db2.gz XGPVANFZKGAWLP-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN CC[C@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817944639 633792460 /nfs/dbraw/zinc/79/24/60/633792460.db2.gz ITGPZNDRANZWLK-JQWIXIFHSA-N 0 3 254.761 2.448 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817964548 633806515 /nfs/dbraw/zinc/80/65/15/633806515.db2.gz CHXNDYQYBPDYRH-OLZOCXBDSA-N 0 3 252.333 2.309 20 10 CECDHN CC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(Cl)c1[O-] ZINC000817977730 633821645 /nfs/dbraw/zinc/82/16/45/633821645.db2.gz NTGHMKRVJGYGJE-JULQROHOSA-N 0 3 266.772 2.304 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCOC12CCOCC2)c1ccccc1[O-] ZINC000903387308 635098395 /nfs/dbraw/zinc/09/83/95/635098395.db2.gz GRTFNBYKOWNZSE-SWLSCSKDSA-N 0 3 277.364 2.381 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@]32C[NH3+])c1[O-] ZINC000903853981 635304596 /nfs/dbraw/zinc/30/45/96/635304596.db2.gz IDCUYGKVVHMFAO-WBMJQRKESA-N 0 3 292.354 2.047 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3CC[C@@]32C[NH3+])c1[O-] ZINC000903853976 635304674 /nfs/dbraw/zinc/30/46/74/635304674.db2.gz IDCUYGKVVHMFAO-BLLLJJGKSA-N 0 3 292.354 2.047 20 10 CECDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccc(OC)cc2[O-])CCO1 ZINC000824320394 635404325 /nfs/dbraw/zinc/40/43/25/635404325.db2.gz HAKSOTMPBAUVTE-CHWSQXEVSA-N 0 3 265.353 2.448 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124196 635573776 /nfs/dbraw/zinc/57/37/76/635573776.db2.gz JXXKDRHSMKKKFK-PELKAZGASA-N 0 3 293.260 2.276 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124196 635573778 /nfs/dbraw/zinc/57/37/78/635573778.db2.gz JXXKDRHSMKKKFK-PELKAZGASA-N 0 3 293.260 2.276 20 10 CECDHN COCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCCC1 ZINC000825245429 635598107 /nfs/dbraw/zinc/59/81/07/635598107.db2.gz JZMIKDFISUGZNB-UHFFFAOYSA-N 0 3 293.363 2.417 20 10 CECDHN CC[C@H](NCc1ccc(N(CC)CC)c(F)c1)C(=O)NC ZINC000825315455 635614057 /nfs/dbraw/zinc/61/40/57/635614057.db2.gz AZXYAKPAAWZFCO-AWEZNQCLSA-N 0 3 295.402 2.286 20 10 CECDHN Cc1cc([O-])c(CN[C@@H]2C[NH2+]CC2(C)C)c(Cl)c1 ZINC000904461146 635644861 /nfs/dbraw/zinc/64/48/61/635644861.db2.gz DXHVXJRUPRXMMI-CYBMUJFWSA-N 0 3 268.788 2.442 20 10 CECDHN CCOc1cccc(CN(C)Cc2cnc[nH]2)c1O ZINC000826768791 635840992 /nfs/dbraw/zinc/84/09/92/635840992.db2.gz DZFOHPLQNBZWIG-UHFFFAOYSA-N 0 3 261.325 2.146 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000827358900 636305147 /nfs/dbraw/zinc/30/51/47/636305147.db2.gz GCLDOINCTVWXOO-NSHDSACASA-N 0 3 253.317 2.030 20 10 CECDHN C[C@H](NC(=O)CN1[C@H](C)CC[C@H]1C)c1ccccc1O ZINC000827972857 636475970 /nfs/dbraw/zinc/47/59/70/636475970.db2.gz AYZPMLQHZYLOLQ-UPJWGTAASA-N 0 3 276.380 2.442 20 10 CECDHN CC(C)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1O ZINC000828539546 636624137 /nfs/dbraw/zinc/62/41/37/636624137.db2.gz PYHMEOAXEODIPM-TZMCWYRMSA-N 0 3 276.380 2.442 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000876561667 650330224 /nfs/dbraw/zinc/33/02/24/650330224.db2.gz RCGTVGMZTGBZLO-UHFFFAOYSA-N 0 3 288.391 2.191 20 10 CECDHN CC(=O)NCC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876636343 650369682 /nfs/dbraw/zinc/36/96/82/650369682.db2.gz UMGQIJFPUDUDON-UHFFFAOYSA-N 0 3 276.380 2.049 20 10 CECDHN C[C@@H](Cc1cnccn1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834544577 637860212 /nfs/dbraw/zinc/86/02/12/637860212.db2.gz NWKGLKLCVFEBCF-FZMZJTMJSA-N 0 3 269.348 2.390 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2CCCO)c([O-])c1 ZINC000834850402 637970888 /nfs/dbraw/zinc/97/08/88/637970888.db2.gz LXWZMWNTEXMLOG-CABCVRRESA-N 0 3 292.423 2.198 20 10 CECDHN CCN1C[C@H]([NH2+][C@@H]2C[C@H](C)c3c2c([O-])ccc3F)CC1=O ZINC000834888909 637978628 /nfs/dbraw/zinc/97/86/28/637978628.db2.gz CXPRBYMGZVZZTN-HOSYDEDBSA-N 0 3 292.354 2.290 20 10 CECDHN C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000834897823 637981209 /nfs/dbraw/zinc/98/12/09/637981209.db2.gz WALZAWALRLJZGL-FZMZJTMJSA-N 0 3 271.364 2.334 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834904743 637982703 /nfs/dbraw/zinc/98/27/03/637982703.db2.gz PRQQOTINSFLUJA-UXIGCNINSA-N 0 3 265.353 2.155 20 10 CECDHN CCN(C)C(=O)[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835049130 638038799 /nfs/dbraw/zinc/03/87/99/638038799.db2.gz BRHMMOZDSCRCKX-HSBSLETESA-N 0 3 289.423 2.222 20 10 CECDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([O-])c1 ZINC000876817882 650445142 /nfs/dbraw/zinc/44/51/42/650445142.db2.gz OHKSANDOZZQWKN-HUUCEWRRSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)c([O-])c1 ZINC000876817882 650445144 /nfs/dbraw/zinc/44/51/44/650445144.db2.gz OHKSANDOZZQWKN-HUUCEWRRSA-N 0 3 288.391 2.191 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccc(C)cc1[O-] ZINC000840825807 639553749 /nfs/dbraw/zinc/55/37/49/639553749.db2.gz MOTWYCXWAWUPDL-OCCSQVGLSA-N 0 3 276.380 2.268 20 10 CECDHN Cc1cc(N(C)C)ccc1CN1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000840939071 639592943 /nfs/dbraw/zinc/59/29/43/639592943.db2.gz KFBUKRQVGVKLLK-MLGOLLRUSA-N 0 3 289.423 2.147 20 10 CECDHN Cc1cccc(CN2CC(CO)(c3ccccc3)C2)c1O ZINC000840970928 639604839 /nfs/dbraw/zinc/60/48/39/639604839.db2.gz YJBIHCSQVICYMH-UHFFFAOYSA-N 0 3 283.371 2.447 20 10 CECDHN C[C@@H]1CC[NH2+]C[C@H]1NCc1cccc(Cl)c1[O-] ZINC000841059269 639637019 /nfs/dbraw/zinc/63/70/19/639637019.db2.gz OYQJRYCULCYWPR-BXKDBHETSA-N 0 3 254.761 2.133 20 10 CECDHN CCOCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000228677302 639652481 /nfs/dbraw/zinc/65/24/81/639652481.db2.gz MLCFXCWLVQMKCA-UHFFFAOYSA-N 0 3 259.733 2.180 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCN2CCCC2)c1[O-] ZINC000228677104 639652852 /nfs/dbraw/zinc/65/28/52/639652852.db2.gz BXFGWGRGULAWIG-UHFFFAOYSA-N 0 3 284.787 2.240 20 10 CECDHN [NH3+]CC[C@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000841089894 639653965 /nfs/dbraw/zinc/65/39/65/639653965.db2.gz BPSFNHBKEWAROA-JTQLQIEISA-N 0 3 282.693 2.415 20 10 CECDHN CC(C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000228943745 639665481 /nfs/dbraw/zinc/66/54/81/639665481.db2.gz YLCIWZVHQKIAKW-NXEZZACHSA-N 0 3 268.332 2.095 20 10 CECDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(=O)NC1CC1 ZINC000228949547 639666959 /nfs/dbraw/zinc/66/69/59/639666959.db2.gz ODLDMVFUABIEDL-NWDGAFQWSA-N 0 3 275.396 2.070 20 10 CECDHN Cc1ccc(CNC2CN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000877075116 650561149 /nfs/dbraw/zinc/56/11/49/650561149.db2.gz IKHIAKFGSYBQNK-UHFFFAOYSA-N 0 3 292.379 2.410 20 10 CECDHN C[C@@H](C(=O)N(C)c1ccc(N)cc1)N1CCCCCC1 ZINC000877077621 650562071 /nfs/dbraw/zinc/56/20/71/650562071.db2.gz OXPPPHSWDHJBKF-ZDUSSCGKSA-N 0 3 275.396 2.496 20 10 CECDHN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCNCC1 ZINC000843044643 640250260 /nfs/dbraw/zinc/25/02/60/640250260.db2.gz DKYQHWGXNXFTDJ-UHFFFAOYSA-N 0 3 272.751 2.369 20 10 CECDHN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C1CCNCC1 ZINC000843044643 640250264 /nfs/dbraw/zinc/25/02/64/640250264.db2.gz DKYQHWGXNXFTDJ-UHFFFAOYSA-N 0 3 272.751 2.369 20 10 CECDHN CN(Cc1cc(Cl)cc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843044643 640250268 /nfs/dbraw/zinc/25/02/68/640250268.db2.gz DKYQHWGXNXFTDJ-UHFFFAOYSA-N 0 3 272.751 2.369 20 10 CECDHN Cc1cc([O-])c(CN2CCC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000843047710 640252999 /nfs/dbraw/zinc/25/29/99/640252999.db2.gz XJRZFZNPJQBWKE-SNVBAGLBSA-N 0 3 254.761 2.277 20 10 CECDHN C[C@@H]([NH3+])[C@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057671 640259489 /nfs/dbraw/zinc/25/94/89/640259489.db2.gz QNWRQSALDOKRMO-BDAKNGLRSA-N 0 3 272.751 2.354 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421457 640422986 /nfs/dbraw/zinc/42/29/86/640422986.db2.gz ZPMYHOBNDNCHFO-RISCZKNCSA-N 0 3 263.337 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000843421457 640422990 /nfs/dbraw/zinc/42/29/90/640422990.db2.gz ZPMYHOBNDNCHFO-RISCZKNCSA-N 0 3 263.337 2.012 20 10 CECDHN CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000843427334 640426431 /nfs/dbraw/zinc/42/64/31/640426431.db2.gz LIZNHIJEWXSQEK-MFKMUULPSA-N 0 3 255.333 2.418 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000877132448 650588101 /nfs/dbraw/zinc/58/81/01/650588101.db2.gz DTTHGRSOIUTWER-CYBMUJFWSA-N 0 3 277.364 2.476 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313054 640672750 /nfs/dbraw/zinc/67/27/50/640672750.db2.gz QKKDUXIMILIBRR-CMPLNLGQSA-N 0 3 276.336 2.026 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000179552364 641364500 /nfs/dbraw/zinc/36/45/00/641364500.db2.gz XLYCMAPIGCTBKU-UHFFFAOYSA-N 0 3 284.359 2.420 20 10 CECDHN C[C@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759749 641762437 /nfs/dbraw/zinc/76/24/37/641762437.db2.gz CJEQQJMJDMVFTP-KBPBESRZSA-N 0 3 289.423 2.272 20 10 CECDHN COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000185330122 641966071 /nfs/dbraw/zinc/96/60/71/641966071.db2.gz PZZLYERLCPPSJP-GJZGRUSLSA-N 0 3 292.423 2.462 20 10 CECDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000877409311 650710787 /nfs/dbraw/zinc/71/07/87/650710787.db2.gz PVJVCJOLFUOMEB-OAHLLOKOSA-N 0 3 271.360 2.394 20 10 CECDHN CCc1nc([C@@H](C)NCc2cccc(CC)c2O)n[nH]1 ZINC000848901194 642179370 /nfs/dbraw/zinc/17/93/70/642179370.db2.gz WNKCAKVMKWIBKD-SNVBAGLBSA-N 0 3 274.368 2.486 20 10 CECDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC000877466972 650732504 /nfs/dbraw/zinc/73/25/04/650732504.db2.gz UTBPCVCZWGPUJW-YPMHNXCESA-N 0 3 263.337 2.084 20 10 CECDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])[C@@H]1C ZINC000877466972 650732507 /nfs/dbraw/zinc/73/25/07/650732507.db2.gz UTBPCVCZWGPUJW-YPMHNXCESA-N 0 3 263.337 2.084 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](C)CN1CCCCC1 ZINC000850028704 642546716 /nfs/dbraw/zinc/54/67/16/642546716.db2.gz QSLUDCXOCYYEMJ-ZDUSSCGKSA-N 0 3 278.396 2.365 20 10 CECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877529382 650769650 /nfs/dbraw/zinc/76/96/50/650769650.db2.gz AZFMKFAITSWOBW-OAHLLOKOSA-N 0 3 288.391 2.145 20 10 CECDHN Cc1ccc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c([O-])c1 ZINC000877529382 650769653 /nfs/dbraw/zinc/76/96/53/650769653.db2.gz AZFMKFAITSWOBW-OAHLLOKOSA-N 0 3 288.391 2.145 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000850484399 642728646 /nfs/dbraw/zinc/72/86/46/642728646.db2.gz IIQHJWPFIYTGCI-DVOMOZLQSA-N 0 3 279.380 2.403 20 10 CECDHN C[N@H+](CCOCC(F)(F)F)Cc1ccccc1[O-] ZINC000109769090 642924700 /nfs/dbraw/zinc/92/47/00/642924700.db2.gz HZYNXOKHRCGJNX-UHFFFAOYSA-N 0 3 263.259 2.403 20 10 CECDHN C[N@@H+](CCOCC(F)(F)F)Cc1ccccc1[O-] ZINC000109769090 642924705 /nfs/dbraw/zinc/92/47/05/642924705.db2.gz HZYNXOKHRCGJNX-UHFFFAOYSA-N 0 3 263.259 2.403 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877591551 650803987 /nfs/dbraw/zinc/80/39/87/650803987.db2.gz FSQFAUDJUUFDOO-MRXNPFEDSA-N 0 3 277.364 2.476 20 10 CECDHN COC(=O)[C@]1(C)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877591551 650803989 /nfs/dbraw/zinc/80/39/89/650803989.db2.gz FSQFAUDJUUFDOO-MRXNPFEDSA-N 0 3 277.364 2.476 20 10 CECDHN COC(OC)[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000922314051 643021343 /nfs/dbraw/zinc/02/13/43/643021343.db2.gz XTEHDTMWJXVULS-FWWRYZNZSA-N 0 3 278.396 2.363 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000877619797 650816783 /nfs/dbraw/zinc/81/67/83/650816783.db2.gz MSMINOAVZHZJKZ-UHFFFAOYSA-N 0 3 272.348 2.070 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000877619797 650816788 /nfs/dbraw/zinc/81/67/88/650816788.db2.gz MSMINOAVZHZJKZ-UHFFFAOYSA-N 0 3 272.348 2.070 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000877627820 650820159 /nfs/dbraw/zinc/82/01/59/650820159.db2.gz WBOIBCZCABBDCC-GFCCVEGCSA-N 0 3 257.280 2.214 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000877631603 650823492 /nfs/dbraw/zinc/82/34/92/650823492.db2.gz KKAYHQIGZXXCBX-UHFFFAOYSA-N 0 3 261.365 2.341 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000839182219 644181446 /nfs/dbraw/zinc/18/14/46/644181446.db2.gz LRSHEGQAFDJBQL-HUUCEWRRSA-N 0 3 277.364 2.448 20 10 CECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000754872644 644444080 /nfs/dbraw/zinc/44/40/80/644444080.db2.gz OBGCQBJWNZYXLB-HZMBPMFUSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CCS1 ZINC000754872644 644444084 /nfs/dbraw/zinc/44/40/84/644444084.db2.gz OBGCQBJWNZYXLB-HZMBPMFUSA-N 0 3 295.404 2.145 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c([O-])c1 ZINC000877835173 650927745 /nfs/dbraw/zinc/92/77/45/650927745.db2.gz IYGBPQKKWOZGSM-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c([O-])c1 ZINC000877835173 650927746 /nfs/dbraw/zinc/92/77/46/650927746.db2.gz IYGBPQKKWOZGSM-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(C)CCOC2)c([O-])c1 ZINC000756040703 644597411 /nfs/dbraw/zinc/59/74/11/644597411.db2.gz BAKZXTSWDBFUBQ-CQSZACIVSA-N 0 3 251.326 2.060 20 10 CECDHN CC(=O)NCCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756371787 644637439 /nfs/dbraw/zinc/63/74/39/644637439.db2.gz MHDORTMMNUIRTA-SKDRFNHKSA-N 0 3 280.343 2.195 20 10 CECDHN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000756731403 644687629 /nfs/dbraw/zinc/68/76/29/644687629.db2.gz ABWIPSRITWDOPL-WDEREUQCSA-N 0 3 271.332 2.233 20 10 CECDHN CC(=O)c1cc(F)cc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)c1[O-] ZINC000857085805 644812871 /nfs/dbraw/zinc/81/28/71/644812871.db2.gz HTKUGHLCKXYJLU-MLGOLLRUSA-N 0 3 292.354 2.047 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCOCC2)c([O-])c1 ZINC000757660049 644832653 /nfs/dbraw/zinc/83/26/53/644832653.db2.gz ZFYCLKMMDBKIJW-DOMZBBRYSA-N 0 3 279.380 2.139 20 10 CECDHN CCOc1ccc(C[N@H+](C)C[C@H](C)OC)c([O-])c1 ZINC000809717941 644955000 /nfs/dbraw/zinc/95/50/00/644955000.db2.gz OQLVGZJSWOFXFD-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)OC)c([O-])c1 ZINC000809717941 644955008 /nfs/dbraw/zinc/95/50/08/644955008.db2.gz OQLVGZJSWOFXFD-NSHDSACASA-N 0 3 253.342 2.258 20 10 CECDHN CN(C)c1cc(F)c(CN[C@@H]2C[C@@H](O)C23CCC3)cc1F ZINC000858191880 645085217 /nfs/dbraw/zinc/08/52/17/645085217.db2.gz DMUUFWCSVLDQGD-HUUCEWRRSA-N 0 3 296.361 2.424 20 10 CECDHN C[NH+](C)CC1(CNC(=O)c2cc([O-])cs2)CCCC1 ZINC000760450404 645158722 /nfs/dbraw/zinc/15/87/22/645158722.db2.gz PRKIMXLINKTQLL-UHFFFAOYSA-N 0 3 282.409 2.306 20 10 CECDHN COC(=O)CCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000762788115 645451505 /nfs/dbraw/zinc/45/15/05/645451505.db2.gz UPCGYVRJHVPARH-UHFFFAOYSA-N 0 3 269.316 2.353 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768444589 646124000 /nfs/dbraw/zinc/12/40/00/646124000.db2.gz MNJANGOANKXSCW-XHDPSFHLSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768444589 646124004 /nfs/dbraw/zinc/12/40/04/646124004.db2.gz MNJANGOANKXSCW-XHDPSFHLSA-N 0 3 277.364 2.440 20 10 CECDHN CCOc1ccc(C[N@H+](CC)CCC(=O)OC)c([O-])c1 ZINC000768991814 646188525 /nfs/dbraw/zinc/18/85/25/646188525.db2.gz FWDRTLASWKLGMS-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN CCOc1ccc(C[N@@H+](CC)CCC(=O)OC)c([O-])c1 ZINC000768991814 646188531 /nfs/dbraw/zinc/18/85/31/646188531.db2.gz FWDRTLASWKLGMS-UHFFFAOYSA-N 0 3 281.352 2.176 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCS[C@H](C)C1 ZINC000769320677 646244187 /nfs/dbraw/zinc/24/41/87/646244187.db2.gz UFUWQYPJGLQMPM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCS[C@H](C)C1 ZINC000769320677 646244190 /nfs/dbraw/zinc/24/41/90/646244190.db2.gz UFUWQYPJGLQMPM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN COc1cccc(O)c1CN1CCS[C@H](C)C1 ZINC000769320677 646244193 /nfs/dbraw/zinc/24/41/93/646244193.db2.gz UFUWQYPJGLQMPM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN CCOC[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000769531919 646283793 /nfs/dbraw/zinc/28/37/93/646283793.db2.gz FWVBUFOPKGXQBO-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000769531919 646283797 /nfs/dbraw/zinc/28/37/97/646283797.db2.gz FWVBUFOPKGXQBO-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOc1ccc(O)c(CN2CCSC[C@H]2CCO)c1 ZINC000770306619 646378087 /nfs/dbraw/zinc/37/80/87/646378087.db2.gz ZDOMHOLARBXKIL-CYBMUJFWSA-N 0 3 297.420 2.091 20 10 CECDHN CCN(C)c1ccc(CN2CCCC[C@]2(C)C(N)=O)cc1 ZINC000773838505 646779560 /nfs/dbraw/zinc/77/95/60/646779560.db2.gz KQONNAMTBFMYDY-QGZVFWFLSA-N 0 3 289.423 2.373 20 10 CECDHN Cc1noc(CCC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000775130015 646926144 /nfs/dbraw/zinc/92/61/44/646926144.db2.gz KKWMRWNUIYWQEG-SNVBAGLBSA-N 0 3 261.325 2.367 20 10 CECDHN CC[C@H](C(=O)N[C@H](C)c1ccc(N(C)C)cc1)N(C)C ZINC000775409312 646951914 /nfs/dbraw/zinc/95/19/14/646951914.db2.gz DTXJWVIOCZPCNS-IUODEOHRSA-N 0 3 277.412 2.270 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]1C(=O)NC)c1ccccc1[O-] ZINC000775523916 646962748 /nfs/dbraw/zinc/96/27/48/646962748.db2.gz BAWQNVOWYZOJAP-IHRRRGAJSA-N 0 3 276.380 2.348 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]1C(=O)NC)c1ccccc1[O-] ZINC000775523917 646963070 /nfs/dbraw/zinc/96/30/70/646963070.db2.gz BAWQNVOWYZOJAP-MELADBBJSA-N 0 3 276.380 2.348 20 10 CECDHN CN(C)c1cc(F)c(CNc2nccn2C)cc1F ZINC000865293111 647233680 /nfs/dbraw/zinc/23/36/80/647233680.db2.gz ZCHLMEXVIYHDOF-UHFFFAOYSA-N 0 3 266.295 2.376 20 10 CECDHN C[C@H]([NH2+]C[C@@H](CO)Cc1ccco1)c1ccccc1[O-] ZINC000783520002 647723985 /nfs/dbraw/zinc/72/39/85/647723985.db2.gz OFKYTAASNHPGRR-STQMWFEESA-N 0 3 275.348 2.487 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCCCO)c2c1c(F)ccc2[O-] ZINC000786939682 648058343 /nfs/dbraw/zinc/05/83/43/648058343.db2.gz DZEFLXKQHLYTJX-GXSJLCMTSA-N 0 3 253.317 2.442 20 10 CECDHN COc1ccc(C[NH2+]Cc2ncccc2[O-])cc1C ZINC000793258251 648732350 /nfs/dbraw/zinc/73/23/50/648732350.db2.gz IKEKKYZVCKAPPV-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN [NH3+]C[C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1C(F)(F)F ZINC000873226929 649598252 /nfs/dbraw/zinc/59/82/52/649598252.db2.gz ABMHWWKKIKRCJB-NXEZZACHSA-N 0 3 292.276 2.100 20 10 CECDHN C[C@@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)c1ccccc1[O-] ZINC000879649684 651335197 /nfs/dbraw/zinc/33/51/97/651335197.db2.gz SJVNHSIQWOFTHG-QWHCGFSZSA-N 0 3 276.380 2.444 20 10 CECDHN CC(C)OCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650685 651335637 /nfs/dbraw/zinc/33/56/37/651335637.db2.gz NESDVBVVCLJNJQ-QWHCGFSZSA-N 0 3 267.369 2.219 20 10 CECDHN CC(C)[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879653340 651336052 /nfs/dbraw/zinc/33/60/52/651336052.db2.gz OJJGDLXXJCJBLO-NEPJUHHUSA-N 0 3 264.369 2.204 20 10 CECDHN CN(C)c1ccc(CN[C@H]2CCCC23OCCO3)cc1F ZINC000883178737 652390652 /nfs/dbraw/zinc/39/06/52/652390652.db2.gz CYRIWKHJAJQRCK-HNNXBMFYSA-N 0 3 294.370 2.277 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](CO)Cc1ccoc1)CC2 ZINC000883276177 652421592 /nfs/dbraw/zinc/42/15/92/652421592.db2.gz HDFGNWVTHYNBPT-UKRRQHHQSA-N 0 3 287.359 2.413 20 10 CECDHN Cc1cc(Br)cc(C[NH2+]CC[C@H](C)O)c1[O-] ZINC000133209345 652613609 /nfs/dbraw/zinc/61/36/09/652613609.db2.gz KDIHXDMQXGBCEC-VIFPVBQESA-N 0 3 288.185 2.324 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000134987673 652900952 /nfs/dbraw/zinc/90/09/52/652900952.db2.gz QBHJSJFCKLSYBI-AWEZNQCLSA-N 0 3 279.286 2.494 20 10 CECDHN [NH3+]C[C@H]1CCCN1Cc1c([O-])cccc1Br ZINC000706851983 802843266 /nfs/dbraw/zinc/84/32/66/802843266.db2.gz DWUHGXSOAVCCQO-SECBINFHSA-N 0 3 285.185 2.078 20 10 CECDHN CN1CC[C@H]([N@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000310553553 803649955 /nfs/dbraw/zinc/64/99/55/803649955.db2.gz XGYPCBJRJDHISV-LBPRGKRZSA-N 0 3 254.761 2.182 20 10 CECDHN CN1CC[C@H]([N@@H+](C)Cc2cc(Cl)ccc2[O-])C1 ZINC000310553553 803649958 /nfs/dbraw/zinc/64/99/58/803649958.db2.gz XGYPCBJRJDHISV-LBPRGKRZSA-N 0 3 254.761 2.182 20 10 CECDHN C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000037152691 815017571 /nfs/dbraw/zinc/01/75/71/815017571.db2.gz QJKKOPVRHWEGAY-UNXYVOJBSA-N 0 3 262.353 2.087 20 10 CECDHN CCCN1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001118995635 815062966 /nfs/dbraw/zinc/06/29/66/815062966.db2.gz INKKJAQQKBVWLA-OAHLLOKOSA-N 0 3 288.391 2.499 20 10 CECDHN [O-]c1c(O)cccc1C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783190 815234928 /nfs/dbraw/zinc/23/49/28/815234928.db2.gz LMFVFKRWNCMAHB-LBPRGKRZSA-N 0 3 273.307 2.494 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN2C(=O)CC[C@H]2C1)c1ccccc1[O-] ZINC001172164510 815326353 /nfs/dbraw/zinc/32/63/53/815326353.db2.gz BIDDXRQBMDGASI-XQQFMLRXSA-N 0 3 274.364 2.196 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccns1 ZINC000709915614 809975376 /nfs/dbraw/zinc/97/53/76/809975376.db2.gz LRTQLAKWAGTIIH-UHFFFAOYSA-N 0 3 252.314 2.320 20 10 CECDHN C[NH2+]C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000383930576 813110140 /nfs/dbraw/zinc/11/01/40/813110140.db2.gz BSFVIJBBEGDUBC-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN Cc1nccn1CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000389076828 813247175 /nfs/dbraw/zinc/24/71/75/813247175.db2.gz ZGUXPZVQCRZTIO-ZDUSSCGKSA-N 0 3 257.337 2.174 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccnc(C)c2)c([O-])c1 ZINC000391127579 813275300 /nfs/dbraw/zinc/27/53/00/813275300.db2.gz MBGPDAPJVVJYHB-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN CC[C@H]([NH2+][C@@H](CCOC)COC)c1ccccc1[O-] ZINC000394096664 813335363 /nfs/dbraw/zinc/33/53/63/813335363.db2.gz RDWSQKCMTLFDNI-JSGCOSHPSA-N 0 3 267.369 2.484 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000713573529 814864392 /nfs/dbraw/zinc/86/43/92/814864392.db2.gz YCZKZSRIQGFJSF-CFVMTHIKSA-N 0 3 259.349 2.439 20 10 CECDHN C[C@]1(O)CCCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058340 816180727 /nfs/dbraw/zinc/18/07/27/816180727.db2.gz XABHZVPLTKDVLZ-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN C[C@]1(O)CCCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058340 816180729 /nfs/dbraw/zinc/18/07/29/816180729.db2.gz XABHZVPLTKDVLZ-AWEZNQCLSA-N 0 3 253.317 2.268 20 10 CECDHN O=c1ccc2c([nH]1)CC[N@@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140058994 816181477 /nfs/dbraw/zinc/18/14/77/816181477.db2.gz SJOWHMRDESTUAZ-UHFFFAOYSA-N 0 3 288.322 2.233 20 10 CECDHN O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(F)ccc1[O-])CC2 ZINC001140058994 816181480 /nfs/dbraw/zinc/18/14/80/816181480.db2.gz SJOWHMRDESTUAZ-UHFFFAOYSA-N 0 3 288.322 2.233 20 10 CECDHN CC(=O)N1CCN(Cc2c(C)ccc(C)c2O)C[C@@H]1C ZINC001140183307 816206407 /nfs/dbraw/zinc/20/64/07/816206407.db2.gz BFPXRCUWUFHBMN-ZDUSSCGKSA-N 0 3 276.380 2.062 20 10 CECDHN Cc1c(O)ccc(CN(CCO)Cc2cccs2)c1O ZINC001140745905 816340370 /nfs/dbraw/zinc/34/03/70/816340370.db2.gz PQPRZVNOWYITMZ-UHFFFAOYSA-N 0 3 293.388 2.462 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001141026554 816449102 /nfs/dbraw/zinc/44/91/02/816449102.db2.gz UVDWXBPWPGJDDB-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@]3(CCCO3)C2)c(OC)c1 ZINC001141026554 816449106 /nfs/dbraw/zinc/44/91/06/816449106.db2.gz UVDWXBPWPGJDDB-MRXNPFEDSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029493 816451040 /nfs/dbraw/zinc/45/10/40/816451040.db2.gz UKTDDKJWRXMIDG-NHYWBVRUSA-N 0 3 293.363 2.020 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c(OC)c1 ZINC001141029493 816451047 /nfs/dbraw/zinc/45/10/47/816451047.db2.gz UKTDDKJWRXMIDG-NHYWBVRUSA-N 0 3 293.363 2.020 20 10 CECDHN CCN1CCN(Cc2ccc3c(c2)OCCN3C)C[C@H]1C ZINC001141146227 816487201 /nfs/dbraw/zinc/48/72/01/816487201.db2.gz PAGFQARKLOTSLI-CQSZACIVSA-N 0 3 289.423 2.041 20 10 CECDHN CN(C)C(=O)C1CN(Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143110834 816787007 /nfs/dbraw/zinc/78/70/07/816787007.db2.gz QNYKCSNXLKLEMX-UHFFFAOYSA-N 0 3 290.407 2.210 20 10 CECDHN Cc1cc(O)c(CN(C)[C@H]2CCCCNC2=O)cc1C ZINC000123883955 365642648 /nfs/dbraw/zinc/64/26/48/365642648.db2.gz YJTHOYKWNHHCPF-AWEZNQCLSA-N 0 3 276.380 2.110 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2c[nH]nc2C)c1 ZINC000038011146 361979503 /nfs/dbraw/zinc/97/95/03/361979503.db2.gz KOWAWBLDQHRUTP-JTQLQIEISA-N 0 3 261.325 2.283 20 10 CECDHN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000038013626 361981213 /nfs/dbraw/zinc/98/12/13/361981213.db2.gz YKRZPQFRVKIPIC-NWDGAFQWSA-N 0 3 294.395 2.356 20 10 CECDHN COCCCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185554217 344509520 /nfs/dbraw/zinc/50/95/20/344509520.db2.gz GBSNWUFLJYBKNE-LBPRGKRZSA-N 0 3 284.375 2.150 20 10 CECDHN Cc1cc(O)c(CN2CCC[C@H]2C(=O)NC2CC2)cc1C ZINC000052086461 362464809 /nfs/dbraw/zinc/46/48/09/362464809.db2.gz GJCNYLFJDXTQSP-HNNXBMFYSA-N 0 3 288.391 2.252 20 10 CECDHN CCOc1cccc(C[NH2+]C2(C)CCOCC2)c1[O-] ZINC000131116055 366021817 /nfs/dbraw/zinc/02/18/17/366021817.db2.gz BCWZPOCBZHDDNN-UHFFFAOYSA-N 0 3 265.353 2.450 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000076274266 363532961 /nfs/dbraw/zinc/53/29/61/363532961.db2.gz WJWKBOPZOTXACV-NSHDSACASA-N 0 3 271.744 2.323 20 10 CECDHN CSC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000135382493 366434025 /nfs/dbraw/zinc/43/40/25/366434025.db2.gz BEGWUQCIEAYZFS-UHFFFAOYSA-N 0 3 269.366 2.352 20 10 CECDHN C[C@H](NCCO)c1ccc(N2CCCCC2)c(F)c1 ZINC000020550961 361583363 /nfs/dbraw/zinc/58/33/63/361583363.db2.gz CSNUVCYQFLZUMO-LBPRGKRZSA-N 0 3 266.360 2.459 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856602 364072668 /nfs/dbraw/zinc/07/26/68/364072668.db2.gz OSMDVLATOFAECT-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1 ZINC000091856602 364072672 /nfs/dbraw/zinc/07/26/72/364072672.db2.gz OSMDVLATOFAECT-DZGCQCFKSA-N 0 3 279.405 2.407 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)C[C@H](C)C(=O)OC)c1 ZINC000091987004 364073873 /nfs/dbraw/zinc/07/38/73/364073873.db2.gz DSTQUTFBICWCQH-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)C[C@H](C)C(=O)OC)c1 ZINC000091987004 364073874 /nfs/dbraw/zinc/07/38/74/364073874.db2.gz DSTQUTFBICWCQH-NSHDSACASA-N 0 3 281.352 2.032 20 10 CECDHN CCCOc1ccc(C[NH2+]C[C@](C)(O)CC)c([O-])c1 ZINC000111384886 364732818 /nfs/dbraw/zinc/73/28/18/364732818.db2.gz CNZQYCWUYQMFCK-OAHLLOKOSA-N 0 3 267.369 2.432 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245735191 370866207 /nfs/dbraw/zinc/86/62/07/370866207.db2.gz KORRKFBCILBXLX-JSGCOSHPSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@@H]3OCCC[C@H]3C2)c1[O-] ZINC000245735191 370866213 /nfs/dbraw/zinc/86/62/13/370866213.db2.gz KORRKFBCILBXLX-JSGCOSHPSA-N 0 3 277.364 2.402 20 10 CECDHN CCCCC[N@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000179667849 368346359 /nfs/dbraw/zinc/34/63/59/368346359.db2.gz ONDFQQZZMMTIMM-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCCC[N@@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000179667849 368346365 /nfs/dbraw/zinc/34/63/65/368346365.db2.gz ONDFQQZZMMTIMM-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN C[NH+](C)C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000180230735 368373097 /nfs/dbraw/zinc/37/30/97/368373097.db2.gz IFXMRMOHTBOBFZ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180230735 368373102 /nfs/dbraw/zinc/37/31/02/368373102.db2.gz IFXMRMOHTBOBFZ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN CN(C)C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000180230735 368373104 /nfs/dbraw/zinc/37/31/04/368373104.db2.gz IFXMRMOHTBOBFZ-NSHDSACASA-N 0 3 268.788 2.429 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423770 368381255 /nfs/dbraw/zinc/38/12/55/368381255.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 0 3 278.396 2.315 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)c1 ZINC000180423770 368381257 /nfs/dbraw/zinc/38/12/57/368381257.db2.gz VWSSZXSXLHNZPL-OCCSQVGLSA-N 0 3 278.396 2.315 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CCSCCCO)c([O-])c1 ZINC000185379010 368799888 /nfs/dbraw/zinc/79/98/88/368799888.db2.gz MUAZMMMKOHOBDH-LBPRGKRZSA-N 0 3 269.410 2.467 20 10 CECDHN CCOCc1cc(CN[C@@H]2C[C@@H](O)C2(C)C)ccc1OC ZINC000189328166 369498643 /nfs/dbraw/zinc/49/86/43/369498643.db2.gz NCCGSAJJAKZNGH-HZPDHXFCSA-N 0 3 293.407 2.481 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1OC ZINC000190303859 369611724 /nfs/dbraw/zinc/61/17/24/369611724.db2.gz BACNIPWPZPGLST-DGCLKSJQSA-N 0 3 295.379 2.050 20 10 CECDHN CCOc1cccc(C[NH2+]C(C)(C)[C@H](C)O)c1[O-] ZINC000161139119 261238716 /nfs/dbraw/zinc/23/87/16/261238716.db2.gz DXMVTUKNALAPIX-JTQLQIEISA-N 0 3 253.342 2.040 20 10 CECDHN CO[C@@H]1CC[C@@H]2OCCN(Cc3cc(C)ccc3O)[C@@H]2C1 ZINC000247260912 371084866 /nfs/dbraw/zinc/08/48/66/371084866.db2.gz XQNCVYVCCLLOJH-INMHGKMJSA-N 0 3 291.391 2.469 20 10 CECDHN CC[C@@H](c1ccccc1O)N1CCc2nnc(N)cc2C1 ZINC000364627313 372775768 /nfs/dbraw/zinc/77/57/68/372775768.db2.gz DFLZKXPICYLVPF-AWEZNQCLSA-N 0 3 284.363 2.104 20 10 CECDHN CC(C)N(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000271038173 373084767 /nfs/dbraw/zinc/08/47/67/373084767.db2.gz MEOUIRYKCNEKRE-UHFFFAOYSA-N 0 3 254.349 2.094 20 10 CECDHN COc1cc(O)c(CN2CCC(OC)CC2)cc1OC ZINC000271090697 373111593 /nfs/dbraw/zinc/11/15/93/373111593.db2.gz KUFWCNVXRWLMPV-UHFFFAOYSA-N 0 3 281.352 2.020 20 10 CECDHN Nc1ccc(CC(=O)Nc2ccc3c(c2F)CCNC3)cc1 ZINC000366933694 373130026 /nfs/dbraw/zinc/13/00/26/373130026.db2.gz LZOMJRHSXXLLAP-UHFFFAOYSA-N 0 3 299.349 2.235 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317274 373146594 /nfs/dbraw/zinc/14/65/94/373146594.db2.gz JIWFMQIRXFCWBB-XJKSGUPXSA-N 0 3 290.363 2.418 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000367317274 373146599 /nfs/dbraw/zinc/14/65/99/373146599.db2.gz JIWFMQIRXFCWBB-XJKSGUPXSA-N 0 3 290.363 2.418 20 10 CECDHN CC(C)C(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271456494 373193282 /nfs/dbraw/zinc/19/32/82/373193282.db2.gz WEXUVPDYGFASSX-UHFFFAOYSA-N 0 3 276.380 2.129 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000271713268 373198349 /nfs/dbraw/zinc/19/83/49/373198349.db2.gz HUAGDXPADYLRPR-JTQLQIEISA-N 0 3 255.745 2.168 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000271713268 373198357 /nfs/dbraw/zinc/19/83/57/373198357.db2.gz HUAGDXPADYLRPR-JTQLQIEISA-N 0 3 255.745 2.168 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1 ZINC000271874065 373203752 /nfs/dbraw/zinc/20/37/52/373203752.db2.gz YSSXWWJJDLESEH-CQSZACIVSA-N 0 3 293.363 2.176 20 10 CECDHN C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cc(F)ccc1[O-] ZINC000273478922 373759307 /nfs/dbraw/zinc/75/93/07/373759307.db2.gz LLYQEOFBYVYROF-WRWORJQWSA-N 0 3 281.249 2.495 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccccc1[O-] ZINC000371684851 373947777 /nfs/dbraw/zinc/94/77/77/373947777.db2.gz HWDKZKIOBPISDL-ZYHUDNBSSA-N 0 3 257.337 2.323 20 10 CECDHN CCCOc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC000375286954 374648454 /nfs/dbraw/zinc/64/84/54/374648454.db2.gz LSLAZWUWXMRMKO-HNNXBMFYSA-N 0 3 277.364 2.138 20 10 CECDHN CCCOc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC000375286954 374648462 /nfs/dbraw/zinc/64/84/62/374648462.db2.gz LSLAZWUWXMRMKO-HNNXBMFYSA-N 0 3 277.364 2.138 20 10 CECDHN CN1CC[C@H]2CC[N@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488723 375114730 /nfs/dbraw/zinc/11/47/30/375114730.db2.gz BIFCYWKXWBFESD-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CC[C@H]2CC[N@@H+](Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488723 375114732 /nfs/dbraw/zinc/11/47/32/375114732.db2.gz BIFCYWKXWBFESD-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@@H+]1CC[C@H]2CCN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488723 375114736 /nfs/dbraw/zinc/11/47/36/375114736.db2.gz BIFCYWKXWBFESD-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@H]2CCN(Cc3cccc(F)c3[O-])C[C@H]21 ZINC000378488723 375114739 /nfs/dbraw/zinc/11/47/39/375114739.db2.gz BIFCYWKXWBFESD-SMDDNHRTSA-N 0 3 264.344 2.057 20 10 CECDHN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(F)ccc1[O-] ZINC000282191892 375424728 /nfs/dbraw/zinc/42/47/28/375424728.db2.gz GGPDPOONOBVHNC-LZVRBXCZSA-N 0 3 271.357 2.093 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CSC[C@H]2C)c1[O-] ZINC000285375254 375837541 /nfs/dbraw/zinc/83/75/41/375837541.db2.gz CMKCZLQYFQKBHU-KOLCDFICSA-N 0 3 253.367 2.242 20 10 CECDHN C[C@H](NCc1cnnn1C)c1cc2c(cc1O)CCCC2 ZINC000287475625 376242737 /nfs/dbraw/zinc/24/27/37/376242737.db2.gz WQROONMEVOZBDL-NSHDSACASA-N 0 3 286.379 2.250 20 10 CECDHN O=C(c1cn[n-]c1[C@@H]1CCC[NH2+]C1)N1CCc2ccccc21 ZINC000422909793 376861343 /nfs/dbraw/zinc/86/13/43/376861343.db2.gz GVKPUEOFJOYJBW-CYBMUJFWSA-N 0 3 296.374 2.080 20 10 CECDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294650401 378002611 /nfs/dbraw/zinc/00/26/11/378002611.db2.gz GSYYZPOKPBDWCJ-STQMWFEESA-N 0 3 267.369 2.057 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2n[nH]c(C(C)C)n2)c1 ZINC000294902377 378028176 /nfs/dbraw/zinc/02/81/76/378028176.db2.gz XHFXJVLTIIRMCI-JTQLQIEISA-N 0 3 290.367 2.493 20 10 CECDHN CCOc1ccc(O)c(CNCc2n[nH]c(C3CC3)n2)c1 ZINC000294812981 378021187 /nfs/dbraw/zinc/02/11/87/378021187.db2.gz OBSYNTUDMKWDEP-UHFFFAOYSA-N 0 3 288.351 2.076 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1OC ZINC000529639920 380181429 /nfs/dbraw/zinc/18/14/29/380181429.db2.gz AFRKRMSNKAMBST-MEDUHNTESA-N 0 3 293.363 2.067 20 10 CECDHN COCCN(C)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183415153 261974182 /nfs/dbraw/zinc/97/41/82/261974182.db2.gz ZHNXJGFVBUQDBM-CYBMUJFWSA-N 0 3 266.385 2.011 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000228675723 394476488 /nfs/dbraw/zinc/47/64/88/394476488.db2.gz AGAGCXADXKPLSI-SKDRFNHKSA-N 0 3 285.771 2.305 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000368333216 394984305 /nfs/dbraw/zinc/98/43/05/394984305.db2.gz QEYCVGUGITYNTD-HIFRSBDPSA-N 0 3 290.407 2.214 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1ccccc1[O-] ZINC000136421294 394970296 /nfs/dbraw/zinc/97/02/96/394970296.db2.gz LWWFFURTCGFQTQ-NEPJUHHUSA-N 0 3 262.353 2.054 20 10 CECDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375857754 395101553 /nfs/dbraw/zinc/10/15/53/395101553.db2.gz DLMCWRSPLQSNSM-HZPDHXFCSA-N 0 3 288.391 2.368 20 10 CECDHN CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375857754 395101556 /nfs/dbraw/zinc/10/15/56/395101556.db2.gz DLMCWRSPLQSNSM-HZPDHXFCSA-N 0 3 288.391 2.368 20 10 CECDHN CCC[C@@H](N)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178711635 395172510 /nfs/dbraw/zinc/17/25/10/395172510.db2.gz FCLPFQBKTOSLFB-OAHLLOKOSA-N 0 3 277.412 2.276 20 10 CECDHN COc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1 ZINC000182435985 395241960 /nfs/dbraw/zinc/24/19/60/395241960.db2.gz ZYDGHQRSWPXDDU-SMDDNHRTSA-N 0 3 292.379 2.061 20 10 CECDHN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([O-])c1O ZINC000182563169 395245739 /nfs/dbraw/zinc/24/57/39/395245739.db2.gz RAFQAVPHDPFSKE-VXGBXAGGSA-N 0 3 292.379 2.009 20 10 CECDHN Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)c([O-])c1O ZINC000179482941 395195129 /nfs/dbraw/zinc/19/51/29/395195129.db2.gz JBNXLKVMWTYARL-UHFFFAOYSA-N 0 3 292.379 2.010 20 10 CECDHN Cc1ccc(C(=O)NCC[N@H+](C)C2CCCC2)c([O-])c1O ZINC000179482941 395195133 /nfs/dbraw/zinc/19/51/33/395195133.db2.gz JBNXLKVMWTYARL-UHFFFAOYSA-N 0 3 292.379 2.010 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293957588 395260311 /nfs/dbraw/zinc/26/03/11/395260311.db2.gz PQCYSGFDQBVRLI-AWEZNQCLSA-N 0 3 265.328 2.411 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293957588 395260312 /nfs/dbraw/zinc/26/03/12/395260312.db2.gz PQCYSGFDQBVRLI-AWEZNQCLSA-N 0 3 265.328 2.411 20 10 CECDHN C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297820722 395348463 /nfs/dbraw/zinc/34/84/63/395348463.db2.gz RJVSAKZQPUDJRQ-DFBGVHRSSA-N 0 3 272.392 2.452 20 10 CECDHN COCCOCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628930 172308446 /nfs/dbraw/zinc/30/84/46/172308446.db2.gz BYHKQRVCMCVLCQ-ZDUSSCGKSA-N 0 3 267.369 2.404 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000038044034 174051691 /nfs/dbraw/zinc/05/16/91/174051691.db2.gz NJLQHGVQVBGWPW-LBPRGKRZSA-N 0 3 265.353 2.307 20 10 CECDHN Cc1cc(C)cc(N(C)C(=O)c2cn[n-]c2[C@H]2CC[NH2+]C2)c1 ZINC000662522915 415874292 /nfs/dbraw/zinc/87/42/92/415874292.db2.gz GSKWIKINRHERGW-ZDUSSCGKSA-N 0 3 298.390 2.380 20 10 CECDHN Cc1noc(C)c1N(C)C(=O)c1cccc2c1CCNC2 ZINC000662606835 415900567 /nfs/dbraw/zinc/90/05/67/415900567.db2.gz YMIOLYOGHARQTN-UHFFFAOYSA-N 0 3 285.347 2.214 20 10 CECDHN C[N@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000157129840 261140697 /nfs/dbraw/zinc/14/06/97/261140697.db2.gz AAAMDGIWXRKLAL-UHFFFAOYSA-N 0 3 292.360 2.252 20 10 CECDHN C[N@@H+](CCc1nccs1)Cc1cc2c(cc1[O-])OCO2 ZINC000157129840 261140698 /nfs/dbraw/zinc/14/06/98/261140698.db2.gz AAAMDGIWXRKLAL-UHFFFAOYSA-N 0 3 292.360 2.252 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)C[C@@H]2CCCOC2)cc1OC ZINC000160162793 261206829 /nfs/dbraw/zinc/20/68/29/261206829.db2.gz QEMLRAJTALPQJB-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCCOC2)cc1OC ZINC000160162793 261206830 /nfs/dbraw/zinc/20/68/30/261206830.db2.gz QEMLRAJTALPQJB-LBPRGKRZSA-N 0 3 295.379 2.268 20 10 CECDHN COCCN(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000185008516 262037798 /nfs/dbraw/zinc/03/77/98/262037798.db2.gz KSNDBDNKLWJKAS-LBPRGKRZSA-N 0 3 284.375 2.150 20 10 CECDHN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000185220147 262046290 /nfs/dbraw/zinc/04/62/90/262046290.db2.gz NDLZYQDUEIZHKD-MNOVXSKESA-N 0 3 251.326 2.070 20 10 CECDHN C[C@H]([NH2+]CCC(=O)N(C)C)c1cc2c(cc1[O-])CCCC2 ZINC000185264680 262048334 /nfs/dbraw/zinc/04/83/34/262048334.db2.gz BFKRZGGCRCHLSG-LBPRGKRZSA-N 0 3 290.407 2.400 20 10 CECDHN C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(F)ccc1[O-] ZINC000185333026 262051079 /nfs/dbraw/zinc/05/10/79/262051079.db2.gz OQWUJTRYUDKQNB-JTQLQIEISA-N 0 3 282.315 2.024 20 10 CECDHN CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000185779525 262070803 /nfs/dbraw/zinc/07/08/03/262070803.db2.gz LZBHDRYPQZZJSA-ZDUSSCGKSA-N 0 3 278.352 2.021 20 10 CECDHN CCN(C)C(=O)CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000186817114 262111422 /nfs/dbraw/zinc/11/14/22/262111422.db2.gz RKZTUJLKPLMATQ-CYBMUJFWSA-N 0 3 277.412 2.272 20 10 CECDHN O=c1[nH]ccc2c1C[N@H+](Cc1ccccc1[O-])CC2 ZINC000276997789 263038965 /nfs/dbraw/zinc/03/89/65/263038965.db2.gz HRSDWHWJKYLGMV-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN O=c1[nH]ccc2c1C[N@@H+](Cc1ccccc1[O-])CC2 ZINC000276997789 263038966 /nfs/dbraw/zinc/03/89/66/263038966.db2.gz HRSDWHWJKYLGMV-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN CCOc1cccc(CN2CCOCC[C@H]2C)c1O ZINC000367708600 267111997 /nfs/dbraw/zinc/11/19/97/267111997.db2.gz QUJDVLRNEKQPLE-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN Oc1ccccc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000367723943 267113001 /nfs/dbraw/zinc/11/30/01/267113001.db2.gz VADHQBXLVNVBLU-UHFFFAOYSA-N 0 3 287.338 2.249 20 10 CECDHN COc1ccc(O)c([C@@H](C)N(C)[C@@H]2CCCCNC2=O)c1 ZINC000368015241 267135064 /nfs/dbraw/zinc/13/50/64/267135064.db2.gz CIUAWWBWTXQVNR-BXUZGUMPSA-N 0 3 292.379 2.062 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1C ZINC000368798227 267206106 /nfs/dbraw/zinc/20/61/06/267206106.db2.gz DXGDGBTWRHLTRI-CQSZACIVSA-N 0 3 272.352 2.048 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](n3cncn3)C2)cc1C ZINC000368798227 267206107 /nfs/dbraw/zinc/20/61/07/267206107.db2.gz DXGDGBTWRHLTRI-CQSZACIVSA-N 0 3 272.352 2.048 20 10 CECDHN [O-]c1ccccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375689466 267887681 /nfs/dbraw/zinc/88/76/81/267887681.db2.gz DYHCQUZVWJALSO-OAHLLOKOSA-N 0 3 287.363 2.061 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1ccc(C)cc1[O-] ZINC000527959929 313220982 /nfs/dbraw/zinc/22/09/82/313220982.db2.gz ZUBKGTSUPATPFG-NUEKZKHPSA-N 0 3 279.380 2.281 20 10 CECDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000182626657 327814546 /nfs/dbraw/zinc/81/45/46/327814546.db2.gz JIBQKDDLWAFUHV-AWEZNQCLSA-N 0 3 253.342 2.042 20 10 CECDHN COCCOC[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093755431 327199862 /nfs/dbraw/zinc/19/98/62/327199862.db2.gz HZZINMXYKMZDNB-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN COCCOC[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000093755431 327199863 /nfs/dbraw/zinc/19/98/63/327199863.db2.gz HZZINMXYKMZDNB-AWEZNQCLSA-N 0 3 279.380 2.186 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCCC[C@@H](CO)C2)c1[O-] ZINC000378346498 329046993 /nfs/dbraw/zinc/04/69/93/329046993.db2.gz FONMEHZLBLGIRA-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN CCOc1cccc(C[N@H+]2CCCC[C@@H](CO)C2)c1[O-] ZINC000378346498 329046994 /nfs/dbraw/zinc/04/69/94/329046994.db2.gz FONMEHZLBLGIRA-CYBMUJFWSA-N 0 3 279.380 2.385 20 10 CECDHN Cc1cccc(CN2CC[C@@H](NC(=O)C3CCC3)C2)c1O ZINC000378439956 329050521 /nfs/dbraw/zinc/05/05/21/329050521.db2.gz XLFJVYJTBBWIKA-OAHLLOKOSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378439956 329050523 /nfs/dbraw/zinc/05/05/23/329050523.db2.gz XLFJVYJTBBWIKA-OAHLLOKOSA-N 0 3 288.391 2.191 20 10 CECDHN Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)C3CCC3)C2)c1[O-] ZINC000378439956 329050525 /nfs/dbraw/zinc/05/05/25/329050525.db2.gz XLFJVYJTBBWIKA-OAHLLOKOSA-N 0 3 288.391 2.191 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1cc(F)ccc1[O-] ZINC000186115749 329338049 /nfs/dbraw/zinc/33/80/49/329338049.db2.gz SMNYHSQUKUCIBW-SKDRFNHKSA-N 0 3 275.327 2.463 20 10 CECDHN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584565 333265627 /nfs/dbraw/zinc/26/56/27/333265627.db2.gz WBXJWQVMYOROTK-ZDUSSCGKSA-N 0 3 275.327 2.432 20 10 CECDHN COCCC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000230866912 333321967 /nfs/dbraw/zinc/32/19/67/333321967.db2.gz YXANWBGUUQSHQX-UHFFFAOYSA-N 0 3 281.352 2.273 20 10 CECDHN [O-]c1c(F)cccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252767416 334391328 /nfs/dbraw/zinc/39/13/28/334391328.db2.gz IFMFNZZBJDLUIJ-STQMWFEESA-N 0 3 264.344 2.248 20 10 CECDHN [O-]c1c(F)cccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252767416 334391329 /nfs/dbraw/zinc/39/13/29/334391329.db2.gz IFMFNZZBJDLUIJ-STQMWFEESA-N 0 3 264.344 2.248 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@@H](C)CCO)c1[O-] ZINC000295145634 334902242 /nfs/dbraw/zinc/90/22/42/334902242.db2.gz QLGGEMPLJCOODD-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CCOCC(C)(C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000292932112 521671218 /nfs/dbraw/zinc/67/12/18/521671218.db2.gz JCDAHVAKSAKVPH-UHFFFAOYSA-N 0 3 253.342 2.306 20 10 CECDHN COC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000045656222 522204958 /nfs/dbraw/zinc/20/49/58/522204958.db2.gz UIWNBNQOJSPKRQ-WDEREUQCSA-N 0 3 253.342 2.334 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C(CC)(CC)CO)c1 ZINC000265267601 521146381 /nfs/dbraw/zinc/14/63/81/521146381.db2.gz SKYINHCXPXITOF-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CCOc1ccc(O)c(CNCc2cnn(CC)c2)c1 ZINC000265486611 521155891 /nfs/dbraw/zinc/15/58/91/521155891.db2.gz MXVDXVYHMWHJEF-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN CCC[C@](C)(N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801179 521273128 /nfs/dbraw/zinc/27/31/28/521273128.db2.gz RRPWEOBVHONCQZ-INIZCTEOSA-N 0 3 277.412 2.229 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000037157869 521374897 /nfs/dbraw/zinc/37/48/97/521374897.db2.gz XFHGQOMYLOJQBN-GFCCVEGCSA-N 0 3 275.352 2.166 20 10 CECDHN CN(C)c1ccc(CNCC2([S@@](C)=O)CCC2)cc1 ZINC000280647280 522204631 /nfs/dbraw/zinc/20/46/31/522204631.db2.gz NWTTZJGVCHFNRF-LJQANCHMSA-N 0 3 280.437 2.143 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(C)cc1[O-] ZINC000280888537 522611336 /nfs/dbraw/zinc/61/13/36/522611336.db2.gz OVYRROWTAUOJKB-YCPHGPKFSA-N 0 3 293.407 2.386 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(C)cc1[O-] ZINC000280260112 522856609 /nfs/dbraw/zinc/85/66/09/522856609.db2.gz XDISGEQJXYBMPD-GXTWGEPZSA-N 0 3 297.420 2.176 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280032655 522908354 /nfs/dbraw/zinc/90/83/54/522908354.db2.gz IHKLIWWUVRIUKA-GOEBONIOSA-N 0 3 292.423 2.462 20 10 CECDHN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1ccccc1[O-])C2 ZINC000289857876 523385901 /nfs/dbraw/zinc/38/59/01/523385901.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 0 3 260.381 2.449 20 10 CECDHN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1ccccc1[O-])C2 ZINC000289857876 523385908 /nfs/dbraw/zinc/38/59/08/523385908.db2.gz VHXQWNPDKMTENG-YIONKMFJSA-N 0 3 260.381 2.449 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280137712 524410381 /nfs/dbraw/zinc/41/03/81/524410381.db2.gz CTLVFXDTCDKNQV-XJKSGUPXSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc(O)c(CNCc2ccc(C)nc2)c1 ZINC000062050698 524752554 /nfs/dbraw/zinc/75/25/54/524752554.db2.gz DCMYZRWLUSCQAV-UHFFFAOYSA-N 0 3 258.321 2.394 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2(O)CCCC2)c1 ZINC000087016672 524759290 /nfs/dbraw/zinc/75/92/90/524759290.db2.gz SUZFPAAJLBTCNT-LLVKDONJSA-N 0 3 265.353 2.357 20 10 CECDHN C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1cc(F)ccc1[O-] ZINC000281024376 525322416 /nfs/dbraw/zinc/32/24/16/525322416.db2.gz MNUVIQSEAHVYII-APBUJDDRSA-N 0 3 285.384 2.483 20 10 CECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000280357248 525344721 /nfs/dbraw/zinc/34/47/21/525344721.db2.gz UCGLWXMXWQMMNH-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280574176 525346034 /nfs/dbraw/zinc/34/60/34/525346034.db2.gz WCOFVRXRIBNDPG-JJRVBVJISA-N 0 3 291.391 2.469 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)c1 ZINC000278491901 525359368 /nfs/dbraw/zinc/35/93/68/525359368.db2.gz PQPYAHZMLYNQNR-CQSZACIVSA-N 0 3 290.407 2.216 20 10 CECDHN Cc1ccc([C@@H](O)CNCc2ccc(N(C)C)cc2)o1 ZINC000266028334 525781451 /nfs/dbraw/zinc/78/14/51/525781451.db2.gz RWLIRDVJEJGMRR-HNNXBMFYSA-N 0 3 274.364 2.477 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000276034495 525917102 /nfs/dbraw/zinc/91/71/02/525917102.db2.gz QIJMFXZIMGVFQY-JOCQHMNTSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000276034495 525917110 /nfs/dbraw/zinc/91/71/10/525917110.db2.gz QIJMFXZIMGVFQY-JOCQHMNTSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000290480980 525918777 /nfs/dbraw/zinc/91/87/77/525918777.db2.gz OAJASUAFISMLCT-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@H](CO)CC(C)C)c1[O-] ZINC000290480980 525918787 /nfs/dbraw/zinc/91/87/87/525918787.db2.gz OAJASUAFISMLCT-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN Cc1ccc([C@H](O)CNCc2ccc(N(C)C)cc2)o1 ZINC000266028337 525977258 /nfs/dbraw/zinc/97/72/58/525977258.db2.gz RWLIRDVJEJGMRR-OAHLLOKOSA-N 0 3 274.364 2.477 20 10 CECDHN COc1cccc(C[NH2+]CCN(C)C2CCCC2)c1[O-] ZINC000071376694 526016143 /nfs/dbraw/zinc/01/61/43/526016143.db2.gz BIXNPZKWJXQREL-UHFFFAOYSA-N 0 3 278.396 2.365 20 10 CECDHN COc1cccc(CN[C@@H](CO)c2ccc(F)cc2)c1O ZINC000265256291 526030546 /nfs/dbraw/zinc/03/05/46/526030546.db2.gz PUUGYMVVIXAXKA-AWEZNQCLSA-N 0 3 291.322 2.363 20 10 CECDHN O=C1C[C@]2(CC[N@@H+](Cc3c([O-])ccc4ccccc43)C2)CN1 ZINC000278845030 527035149 /nfs/dbraw/zinc/03/51/49/527035149.db2.gz SZBAXDLSEXOGBA-GOSISDBHSA-N 0 3 296.370 2.257 20 10 CECDHN O=C1C[C@]2(CC[N@H+](Cc3c([O-])ccc4ccccc43)C2)CN1 ZINC000278845030 527035155 /nfs/dbraw/zinc/03/51/55/527035155.db2.gz SZBAXDLSEXOGBA-GOSISDBHSA-N 0 3 296.370 2.257 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCCCC1 ZINC000726605602 574427912 /nfs/dbraw/zinc/42/79/12/574427912.db2.gz GEHPWVYDLYYTPQ-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000732203619 574614809 /nfs/dbraw/zinc/61/48/09/574614809.db2.gz YYGINVANUUEGCA-ZBFHGGJFSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCOC1)C[C@@H]1CCCO1 ZINC000732203619 574614810 /nfs/dbraw/zinc/61/48/10/574614810.db2.gz YYGINVANUUEGCA-ZBFHGGJFSA-N 0 3 291.391 2.410 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]C[C@]2(C)CCOC2)c1 ZINC000733328071 574664355 /nfs/dbraw/zinc/66/43/55/574664355.db2.gz RSYVCDCDPIOCIX-HNNXBMFYSA-N 0 3 265.353 2.307 20 10 CECDHN C[C@H](O)CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756572583 574821133 /nfs/dbraw/zinc/82/11/33/574821133.db2.gz NHYWLOHTPRVLCN-ATZCPNFKSA-N 0 3 253.317 2.440 20 10 CECDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)C[C@H](C)S1 ZINC000743373869 575051557 /nfs/dbraw/zinc/05/15/57/575051557.db2.gz DIURSCVAGUGVHP-AOOOYVTPSA-N 0 3 281.377 2.447 20 10 CECDHN CC1(C[N@@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)COC1 ZINC000744402322 575120467 /nfs/dbraw/zinc/12/04/67/575120467.db2.gz MUZHMUZGWUDHFH-OAHLLOKOSA-N 0 3 291.391 2.410 20 10 CECDHN CC1(C[N@H+](Cc2ccccc2[O-])C[C@H]2CCCO2)COC1 ZINC000744402322 575120468 /nfs/dbraw/zinc/12/04/68/575120468.db2.gz MUZHMUZGWUDHFH-OAHLLOKOSA-N 0 3 291.391 2.410 20 10 CECDHN CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000752932853 575316699 /nfs/dbraw/zinc/31/66/99/575316699.db2.gz RURKMPSKTNVDIO-LBPRGKRZSA-N 0 3 294.395 2.256 20 10 CECDHN CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C)c(O)c1[O-] ZINC000752932853 575316700 /nfs/dbraw/zinc/31/67/00/575316700.db2.gz RURKMPSKTNVDIO-LBPRGKRZSA-N 0 3 294.395 2.256 20 10 CECDHN COC(=O)[C@H](C[NH2+]Cc1ccccc1[O-])CC(C)C ZINC000813332622 623155300 /nfs/dbraw/zinc/15/53/00/623155300.db2.gz DFMCUMSHHFJSEI-ZDUSSCGKSA-N 0 3 265.353 2.317 20 10 CECDHN OCc1cnccc1NCCCSc1nccs1 ZINC000892515327 625848903 /nfs/dbraw/zinc/84/89/03/625848903.db2.gz MOTXRXUATCYWJD-UHFFFAOYSA-N 0 3 281.406 2.047 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)NC(C)(C)C)c1cc(F)ccc1[O-] ZINC000228336947 628156109 /nfs/dbraw/zinc/15/61/09/628156109.db2.gz NZVINXXYFDAJTC-SNVBAGLBSA-N 0 3 282.359 2.487 20 10 CECDHN C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)c1cc(F)ccc1[O-] ZINC000184862462 628217679 /nfs/dbraw/zinc/21/76/79/628217679.db2.gz ISMMNCLGXAIKJL-JTQLQIEISA-N 0 3 288.322 2.481 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCON)c1[O-] ZINC000902416140 634642609 /nfs/dbraw/zinc/64/26/09/634642609.db2.gz SQUACBRQZYXLDS-VIFPVBQESA-N 0 3 258.749 2.285 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C ZINC000312064493 628801830 /nfs/dbraw/zinc/80/18/30/628801830.db2.gz DXMDSHBESRGEOI-MRVWCRGKSA-N 0 3 260.381 2.452 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C ZINC000312064494 628801893 /nfs/dbraw/zinc/80/18/93/628801893.db2.gz DXMDSHBESRGEOI-XBFCOCLRSA-N 0 3 260.381 2.452 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1F ZINC000060358336 628917511 /nfs/dbraw/zinc/91/75/11/628917511.db2.gz GETZZGBUQGSYET-OAHLLOKOSA-N 0 3 261.296 2.355 20 10 CECDHN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000094617515 628929395 /nfs/dbraw/zinc/92/93/95/628929395.db2.gz YWTSTDYLOPWYTL-JTQLQIEISA-N 0 3 280.343 2.193 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840980357 628988769 /nfs/dbraw/zinc/98/87/69/628988769.db2.gz XHJROWMCZUYIHR-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840980357 628988771 /nfs/dbraw/zinc/98/87/71/628988771.db2.gz XHJROWMCZUYIHR-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN C[N@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000894003499 629083571 /nfs/dbraw/zinc/08/35/71/629083571.db2.gz LTSKINZNXPDJIB-CYBMUJFWSA-N 0 3 282.334 2.339 20 10 CECDHN C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000894003499 629083573 /nfs/dbraw/zinc/08/35/73/629083573.db2.gz LTSKINZNXPDJIB-CYBMUJFWSA-N 0 3 282.334 2.339 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000877527769 629178750 /nfs/dbraw/zinc/17/87/50/629178750.db2.gz VNUUJMOVQPJBPR-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN COC(=O)[C@@H](C[NH2+]Cc1c([O-])cccc1OC)CC(C)C ZINC000894791164 629636896 /nfs/dbraw/zinc/63/68/96/629636896.db2.gz POYPETAYOFZLDI-GFCCVEGCSA-N 0 3 295.379 2.326 20 10 CECDHN COC(=O)[C@H]1[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1(F)F ZINC000895460059 630201800 /nfs/dbraw/zinc/20/18/00/630201800.db2.gz ITSWAJXVJGFKED-HLUHBDAQSA-N 0 3 285.290 2.097 20 10 CECDHN CO[C@@]1(C[NH2+]Cc2ccc(C)cc2[O-])CCSC1 ZINC000896566193 630599865 /nfs/dbraw/zinc/59/98/65/630599865.db2.gz AKLPGNNLQYJQHM-CQSZACIVSA-N 0 3 267.394 2.312 20 10 CECDHN CCOc1ccc(C[NH2+]CC2([S@@](C)=O)CCC2)c([O-])c1 ZINC000797903883 630777198 /nfs/dbraw/zinc/77/71/98/630777198.db2.gz WKWUXJKBBHAJAD-HXUWFJFHSA-N 0 3 297.420 2.182 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2COCC2(C)C)c([O-])c1 ZINC000825090905 635564495 /nfs/dbraw/zinc/56/44/95/635564495.db2.gz MQZHOMYFVMXVRB-AWEZNQCLSA-N 0 3 265.353 2.306 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1[O-] ZINC000802313018 631423974 /nfs/dbraw/zinc/42/39/74/631423974.db2.gz DTXYONVFOSDFSA-OCCSQVGLSA-N 0 3 276.380 2.490 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](CO)C(C)C)c([O-])c1 ZINC000808421873 631961034 /nfs/dbraw/zinc/96/10/34/631961034.db2.gz SLADNIZAGGXPSN-ZDUSSCGKSA-N 0 3 267.369 2.145 20 10 CECDHN Cn1nncc1CNCc1cc(-c2ccccc2)ccc1O ZINC000808437029 631963535 /nfs/dbraw/zinc/96/35/35/631963535.db2.gz WPRBQOIDFNTRNV-UHFFFAOYSA-N 0 3 294.358 2.478 20 10 CECDHN Cn1nncc1C[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000808437029 631963538 /nfs/dbraw/zinc/96/35/38/631963538.db2.gz WPRBQOIDFNTRNV-UHFFFAOYSA-N 0 3 294.358 2.478 20 10 CECDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000808717011 632004973 /nfs/dbraw/zinc/00/49/73/632004973.db2.gz BRDCSOWUGIKDBH-MWLCHTKSSA-N 0 3 273.760 2.012 20 10 CECDHN Cc1c[nH]nc1CNCCCSc1nccs1 ZINC000810146733 632187614 /nfs/dbraw/zinc/18/76/14/632187614.db2.gz VWSCOUMIYZCATO-UHFFFAOYSA-N 0 3 268.411 2.447 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(OC)C1CC1 ZINC000812771979 632574329 /nfs/dbraw/zinc/57/43/29/632574329.db2.gz FKOGCIOLXYCLFL-HNNXBMFYSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1cc(CN2CCSC[C@H]2CCO)ccc1N(C)C ZINC000815061441 632953166 /nfs/dbraw/zinc/95/31/66/632953166.db2.gz VEAZGTUEFMLWRN-OAHLLOKOSA-N 0 3 294.464 2.361 20 10 CECDHN CCc1nocc1CNCc1ccc(OC)cc1O ZINC000816597549 633419413 /nfs/dbraw/zinc/41/94/13/633419413.db2.gz WGEJBHBBTYCTPW-UHFFFAOYSA-N 0 3 262.309 2.241 20 10 CECDHN CCCN1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000817589905 633703686 /nfs/dbraw/zinc/70/36/86/633703686.db2.gz RELKNDQVEJPLDC-TZMCWYRMSA-N 0 3 288.391 2.228 20 10 CECDHN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817945025 633792811 /nfs/dbraw/zinc/79/28/11/633792811.db2.gz RPVJAUBGMIGLKJ-PSASIEDQSA-N 0 3 285.185 2.167 20 10 CECDHN CC[C@@H]([NH2+]CCNC1CC1)c1ccc(F)cc1[O-] ZINC000817951771 633796461 /nfs/dbraw/zinc/79/64/61/633796461.db2.gz AKCOVVRMAMZVGL-CYBMUJFWSA-N 0 3 252.333 2.324 20 10 CECDHN CCC(N)(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960912 633803617 /nfs/dbraw/zinc/80/36/17/633803617.db2.gz UDZCZTDFWXVPAT-JTQLQIEISA-N 0 3 281.356 2.469 20 10 CECDHN CCC([NH3+])(CC)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817960912 633803623 /nfs/dbraw/zinc/80/36/23/633803623.db2.gz UDZCZTDFWXVPAT-JTQLQIEISA-N 0 3 281.356 2.469 20 10 CECDHN CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817964550 633807111 /nfs/dbraw/zinc/80/71/11/633807111.db2.gz CHXNDYQYBPDYRH-STQMWFEESA-N 0 3 252.333 2.309 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1cc(F)cc(F)c1[O-] ZINC000817971047 633812910 /nfs/dbraw/zinc/81/29/10/633812910.db2.gz JPAGBSNVOMMBRB-VYUIOLGVSA-N 0 3 270.323 2.319 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1cc(Cl)ccc1[O-] ZINC000817976658 633819497 /nfs/dbraw/zinc/81/94/97/633819497.db2.gz QNVHPTBIBJDPOS-MIMYLULJSA-N 0 3 272.751 2.396 20 10 CECDHN C[C@H](N[C@@H]1CNCCC1(F)F)c1ccc(N(C)C)cc1 ZINC000817978415 633822142 /nfs/dbraw/zinc/82/21/42/633822142.db2.gz ANDODRPTPCNCFF-SMDDNHRTSA-N 0 3 283.366 2.400 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1ccccc1[O-] ZINC000822812848 635001008 /nfs/dbraw/zinc/00/10/08/635001008.db2.gz OHEPJQQDASXVIW-WCQYABFASA-N 0 3 276.380 2.442 20 10 CECDHN CC[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccc(C)cc1[O-] ZINC000903261269 635034009 /nfs/dbraw/zinc/03/40/09/635034009.db2.gz VNXLZAGMOMIPFT-YIZWMMSDSA-N 0 3 276.380 2.395 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1cc(F)ccc1[O-] ZINC000903286278 635050572 /nfs/dbraw/zinc/05/05/72/635050572.db2.gz FZOIICQSUNXYSV-LXWXXRIVSA-N 0 3 263.312 2.358 20 10 CECDHN Cn1nc(C2CC2)cc1C[NH2+]Cc1ccccc1[O-] ZINC000823752454 635272037 /nfs/dbraw/zinc/27/20/37/635272037.db2.gz GCAJBTHSZUVHMI-UHFFFAOYSA-N 0 3 257.337 2.293 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCC[C@H]2C(=O)OC)c([O-])c1 ZINC000824702525 635480948 /nfs/dbraw/zinc/48/09/48/635480948.db2.gz NBTKPCDMEGVYBO-KGLIPLIRSA-N 0 3 293.363 2.222 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000825196679 635589301 /nfs/dbraw/zinc/58/93/01/635589301.db2.gz LZFDPVONVZEYGE-GZBFAFLISA-N 0 3 265.353 2.237 20 10 CECDHN [O-]c1ccc(F)cc1CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000904431525 635627123 /nfs/dbraw/zinc/62/71/23/635627123.db2.gz VTTODHONYVXIFR-HNNXBMFYSA-N 0 3 264.344 2.249 20 10 CECDHN C[C@@H](NC(=O)CN1[C@H](C)CC[C@@H]1C)c1ccccc1O ZINC000827936714 636463918 /nfs/dbraw/zinc/46/39/18/636463918.db2.gz AYZPMLQHZYLOLQ-FRRDWIJNSA-N 0 3 276.380 2.442 20 10 CECDHN CCC[N@H+](CCNC(=O)NC(C)C)Cc1ccccc1[O-] ZINC000827959245 636471358 /nfs/dbraw/zinc/47/13/58/636471358.db2.gz OPJGJMGVOGLDIY-UHFFFAOYSA-N 0 3 293.411 2.312 20 10 CECDHN CCC[N@@H+](CCNC(=O)NC(C)C)Cc1ccccc1[O-] ZINC000827959245 636471363 /nfs/dbraw/zinc/47/13/63/636471363.db2.gz OPJGJMGVOGLDIY-UHFFFAOYSA-N 0 3 293.411 2.312 20 10 CECDHN C[C@H](NC(=O)C1(N(C)C)CCC1)c1ccccc1O ZINC000827964705 636473344 /nfs/dbraw/zinc/47/33/44/636473344.db2.gz RWXXZUXPDDOZFY-NSHDSACASA-N 0 3 262.353 2.054 20 10 CECDHN Cc1ccc(CN2CCN(c3ccccn3)CC2)c(O)c1 ZINC000876528345 650305251 /nfs/dbraw/zinc/30/52/51/650305251.db2.gz USRXTBOZRSQOHO-UHFFFAOYSA-N 0 3 283.375 2.418 20 10 CECDHN CCCN(CCC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000832827328 637690544 /nfs/dbraw/zinc/69/05/44/637690544.db2.gz XJAHIGHSPRFSEX-UHFFFAOYSA-N 0 3 270.398 2.258 20 10 CECDHN CCCNC(=O)CN(CCC)Cc1ccc(C)cc1O ZINC000876624754 650365431 /nfs/dbraw/zinc/36/54/31/650365431.db2.gz JGKXEXNLYINSQJ-UHFFFAOYSA-N 0 3 278.396 2.439 20 10 CECDHN COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000834844648 637967657 /nfs/dbraw/zinc/96/76/57/637967657.db2.gz SRXJNRPWVNSVDN-IUODEOHRSA-N 0 3 267.369 2.139 20 10 CECDHN CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1ccc(C)cc1[O-] ZINC000834898660 637981880 /nfs/dbraw/zinc/98/18/80/637981880.db2.gz ATVNGDOAAKENNX-DGCLKSJQSA-N 0 3 264.369 2.266 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000876813983 650443870 /nfs/dbraw/zinc/44/38/70/650443870.db2.gz HLVZATNKNFHKOY-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN Cc1ccc(C[NH2+]C[C@@H](C(C)C)N2CCOCC2)c([O-])c1 ZINC000876908487 650481428 /nfs/dbraw/zinc/48/14/28/650481428.db2.gz MQOSJAYSYNKOFF-INIZCTEOSA-N 0 3 292.423 2.147 20 10 CECDHN CC(C)N(C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057559446 639451305 /nfs/dbraw/zinc/45/13/05/639451305.db2.gz RXSNJTZYUPNMKG-UHFFFAOYSA-N 0 3 289.423 2.025 20 10 CECDHN COCCOCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000167443021 639517001 /nfs/dbraw/zinc/51/70/01/639517001.db2.gz LNXAJKJBWANROG-CYBMUJFWSA-N 0 3 267.369 2.486 20 10 CECDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)C[S@](C)=O ZINC000840940081 639593967 /nfs/dbraw/zinc/59/39/67/639593967.db2.gz VEMLYRNYDOYCSN-DJJJIMSYSA-N 0 3 282.453 2.260 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@@H](C)C(=O)N1CCCC1 ZINC000840942676 639595795 /nfs/dbraw/zinc/59/57/95/639595795.db2.gz UGJKZTWTMOWKDH-AWEZNQCLSA-N 0 3 289.423 2.162 20 10 CECDHN CN(CC[NH2+]Cc1ccccc1[O-])C(=O)OC(C)(C)C ZINC000227760527 639604060 /nfs/dbraw/zinc/60/40/60/639604060.db2.gz DZBMIHBPNLSKSU-UHFFFAOYSA-N 0 3 280.368 2.349 20 10 CECDHN [O-]c1ccc(Cl)c(F)c1CN[C@H]1CCC[NH2+]CC1 ZINC000841057881 639635842 /nfs/dbraw/zinc/63/58/42/639635842.db2.gz LSRCMYOUNPDCSI-VIFPVBQESA-N 0 3 272.751 2.416 20 10 CECDHN C[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCN1 ZINC000841061541 639637680 /nfs/dbraw/zinc/63/76/80/639637680.db2.gz JYCXQJKCLMUKCL-GXSJLCMTSA-N 0 3 299.212 2.385 20 10 CECDHN Cc1cc([O-])c(CN[C@@H](CC[NH3+])C(F)F)c(Cl)c1 ZINC000841075134 639645929 /nfs/dbraw/zinc/64/59/29/639645929.db2.gz WKNXONUBDSIONE-JTQLQIEISA-N 0 3 278.730 2.426 20 10 CECDHN C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)c1ccccc1[O-] ZINC000230206246 639746579 /nfs/dbraw/zinc/74/65/79/639746579.db2.gz QZZFOKUVORUCME-WDEREUQCSA-N 0 3 251.326 2.194 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1[O-] ZINC000842478599 640077948 /nfs/dbraw/zinc/07/79/48/640077948.db2.gz LDCOACARPABGLJ-MFKMUULPSA-N 0 3 294.370 2.151 20 10 CECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)c([O-])c1 ZINC000877045114 650545213 /nfs/dbraw/zinc/54/52/13/650545213.db2.gz QDMODHQCBQBQPY-HIFRSBDPSA-N 0 3 290.407 2.437 20 10 CECDHN CNC(=O)c1cccc(CC[NH2+]Cc2c(C)cccc2[O-])c1 ZINC000877058738 650552603 /nfs/dbraw/zinc/55/26/03/650552603.db2.gz LTLKEMXCKVBXGG-UHFFFAOYSA-N 0 3 298.386 2.393 20 10 CECDHN C[NH2+][C@@H]1CCN(Cc2c([O-])cc(C)cc2Cl)C1 ZINC000843045141 640244231 /nfs/dbraw/zinc/24/42/31/640244231.db2.gz MPPIMTJVYFTGLU-SNVBAGLBSA-N 0 3 254.761 2.148 20 10 CECDHN C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000843057245 640260036 /nfs/dbraw/zinc/26/00/36/640260036.db2.gz HLDLCABARLOYOP-ZJUUUORDSA-N 0 3 299.212 2.324 20 10 CECDHN [O-]c1c(Cl)cccc1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000843120540 640289277 /nfs/dbraw/zinc/28/92/77/640289277.db2.gz PBAYYRJCZIBYTP-AWEZNQCLSA-N 0 3 266.772 2.231 20 10 CECDHN Oc1ccccc1CN1CCO[C@]2(CCSC2)C1 ZINC000843417391 640421690 /nfs/dbraw/zinc/42/16/90/640421690.db2.gz FIFIQWVDPANNLN-CQSZACIVSA-N 0 3 265.378 2.100 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCNc1ccccn1 ZINC000877150110 650596984 /nfs/dbraw/zinc/59/69/84/650596984.db2.gz XEOUSSFZKZVYSL-UHFFFAOYSA-N 0 3 257.337 2.297 20 10 CECDHN CCn1cncc1CN[C@H](C)c1cc(OC)ccc1O ZINC000845971877 641142222 /nfs/dbraw/zinc/14/22/22/641142222.db2.gz NMGHCGNNCJDKOS-LLVKDONJSA-N 0 3 275.352 2.468 20 10 CECDHN COc1cccc(O)c1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113430 641187918 /nfs/dbraw/zinc/18/79/18/641187918.db2.gz YEQDXMQTWHDHSR-AOOOYVTPSA-N 0 3 255.264 2.098 20 10 CECDHN CC[C@H]([NH2+]CC[C@@]1(O)CCOC1)c1ccc(C)cc1[O-] ZINC000846193167 641219571 /nfs/dbraw/zinc/21/95/71/641219571.db2.gz KJOPSIGJDBGFRJ-GOEBONIOSA-N 0 3 279.380 2.283 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1 ZINC000846204643 641219929 /nfs/dbraw/zinc/21/99/29/641219929.db2.gz AGNYHRXPPZXHBT-QWHCGFSZSA-N 0 3 288.391 2.362 20 10 CECDHN C[C@@H](NC(=O)CN1CC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847759754 641762759 /nfs/dbraw/zinc/76/27/59/641762759.db2.gz CJEQQJMJDMVFTP-UONOGXRCSA-N 0 3 289.423 2.272 20 10 CECDHN CC[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848562237 642054318 /nfs/dbraw/zinc/05/43/18/642054318.db2.gz BNUWSBBYQJDHMQ-YPMHNXCESA-N 0 3 286.379 2.119 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000848575651 642062561 /nfs/dbraw/zinc/06/25/61/642062561.db2.gz URHHWBSKPCTISU-GJZGRUSLSA-N 0 3 260.381 2.499 20 10 CECDHN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1ccc(C)cc1O ZINC000877464723 650731877 /nfs/dbraw/zinc/73/18/77/650731877.db2.gz LPANPSLEPIQSPX-INWMFGNUSA-N 0 3 289.375 2.474 20 10 CECDHN [NH2+]=C(NCc1cc(Br)ccc1[O-])NC1CCC1 ZINC000849027667 642241276 /nfs/dbraw/zinc/24/12/76/642241276.db2.gz CHYWPPBETPLVGL-UHFFFAOYSA-N 0 3 298.184 2.321 20 10 CECDHN CC(=O)N1CCC[C@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877491484 650748289 /nfs/dbraw/zinc/74/82/89/650748289.db2.gz ULVAICKSQPQEBW-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000877505147 650756166 /nfs/dbraw/zinc/75/61/66/650756166.db2.gz XMUPYHGCBFSQSN-CYBMUJFWSA-N 0 3 298.390 2.452 20 10 CECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000877505147 650756171 /nfs/dbraw/zinc/75/61/71/650756171.db2.gz XMUPYHGCBFSQSN-CYBMUJFWSA-N 0 3 298.390 2.452 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877516196 650760925 /nfs/dbraw/zinc/76/09/25/650760925.db2.gz XOKZDLGFMONEHY-UHFFFAOYSA-N 0 3 265.353 2.380 20 10 CECDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000850484288 642729125 /nfs/dbraw/zinc/72/91/25/642729125.db2.gz GKEYJPUYBQXPCU-LALPHHSUSA-N 0 3 265.353 2.094 20 10 CECDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CCOCC1 ZINC000850493368 642731787 /nfs/dbraw/zinc/73/17/87/642731787.db2.gz VWGUZDVSHZWVCV-WFASDCNBSA-N 0 3 279.380 2.484 20 10 CECDHN Cc1ccc(CNCc2ccc3c(c2)CCCO3)c(=O)n1C ZINC000922069389 642864668 /nfs/dbraw/zinc/86/46/68/642864668.db2.gz VOMZKENFTLMFLO-UHFFFAOYSA-N 0 3 298.386 2.309 20 10 CECDHN Cc1ccc(C[NH2+]CC[S@](=O)CC(F)(F)F)c([O-])c1 ZINC000877622449 650817689 /nfs/dbraw/zinc/81/76/89/650817689.db2.gz NPXASMZZWXCXRK-IBGZPJMESA-N 0 3 295.326 2.101 20 10 CECDHN CCN1CCC[C@@H](NCc2ccc3c(c2)CCCO3)C1=O ZINC000922638030 643171532 /nfs/dbraw/zinc/17/15/32/643171532.db2.gz CQHKMQLTMDLQMZ-OAHLLOKOSA-N 0 3 288.391 2.112 20 10 CECDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](F)[C@H](N)C2)cc1 ZINC000853247989 643721462 /nfs/dbraw/zinc/72/14/62/643721462.db2.gz IWXAFRQMJVETNA-JGPFYOFESA-N 0 3 277.387 2.137 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000877728662 650875202 /nfs/dbraw/zinc/87/52/02/650875202.db2.gz RMYOOWVACYJAHE-AWEZNQCLSA-N 0 3 291.391 2.376 20 10 CECDHN CCCN1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000112119181 644028836 /nfs/dbraw/zinc/02/88/36/644028836.db2.gz CFLPMSDCTWLGNF-UHFFFAOYSA-N 0 3 261.413 2.280 20 10 CECDHN CCC[N@H+](C)CC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000856281747 644627281 /nfs/dbraw/zinc/62/72/81/644627281.db2.gz JRCHHZKMZOSOQE-UHFFFAOYSA-N 0 3 270.398 2.304 20 10 CECDHN CCC[N@@H+](C)CC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000856281747 644627283 /nfs/dbraw/zinc/62/72/83/644627283.db2.gz JRCHHZKMZOSOQE-UHFFFAOYSA-N 0 3 270.398 2.304 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2)c2c1c(F)ccc2[O-] ZINC000756534696 644659561 /nfs/dbraw/zinc/65/95/61/644659561.db2.gz MXCDFYWCEONYFS-FOGDFJRCSA-N 0 3 264.344 2.373 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC(C)(C)O)c2c1c(F)ccc2[O-] ZINC000756564914 644667753 /nfs/dbraw/zinc/66/77/53/644667753.db2.gz TZSJZCFFMCNYGZ-WPRPVWTQSA-N 0 3 253.317 2.440 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CN(C)CCO2)c([O-])c1 ZINC000756762281 644690278 /nfs/dbraw/zinc/69/02/78/644690278.db2.gz XEOOAAULNHJHKS-XEZPLFJOSA-N 0 3 278.396 2.070 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2[O-] ZINC000757630973 644827504 /nfs/dbraw/zinc/82/75/04/644827504.db2.gz AZUVSIXVRSFAPJ-JOYOIKCWSA-N 0 3 292.354 2.195 20 10 CECDHN C[N@H+](CCCCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000839790877 644867331 /nfs/dbraw/zinc/86/73/31/644867331.db2.gz GLNBBMWAVWZTHV-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN C[N@@H+](CCCCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000839790877 644867335 /nfs/dbraw/zinc/86/73/35/644867335.db2.gz GLNBBMWAVWZTHV-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccc(C)cc1[O-] ZINC000858493924 645180871 /nfs/dbraw/zinc/18/08/71/645180871.db2.gz ANALSRYRDFMGNL-NQBHXWOUSA-N 0 3 262.353 2.005 20 10 CECDHN COCC1(NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000765271872 645751203 /nfs/dbraw/zinc/75/12/03/645751203.db2.gz PXBDCPMKZUJBBR-UHFFFAOYSA-N 0 3 252.333 2.160 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768442043 646122412 /nfs/dbraw/zinc/12/24/12/646122412.db2.gz NZQYPLIFIQUPPN-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCCC1 ZINC000768442043 646122413 /nfs/dbraw/zinc/12/24/13/646122413.db2.gz NZQYPLIFIQUPPN-AWEZNQCLSA-N 0 3 263.337 2.192 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1C ZINC000768465198 646127609 /nfs/dbraw/zinc/12/76/09/646127609.db2.gz YNNSFAYHGUBEGW-GPCCPHFNSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)[C@@H]1C ZINC000768465198 646127612 /nfs/dbraw/zinc/12/76/12/646127612.db2.gz YNNSFAYHGUBEGW-GPCCPHFNSA-N 0 3 263.337 2.048 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CC3)C1)[C@@H](O)CO2 ZINC000768465707 646127649 /nfs/dbraw/zinc/12/76/49/646127649.db2.gz QQKVEBNTLRKNDH-ABAIWWIYSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CC3)C1)[C@@H](O)CO2 ZINC000768465707 646127651 /nfs/dbraw/zinc/12/76/51/646127651.db2.gz QQKVEBNTLRKNDH-ABAIWWIYSA-N 0 3 275.348 2.050 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC000768754141 646158722 /nfs/dbraw/zinc/15/87/22/646158722.db2.gz PXJDYGKARSEELL-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC[C@H](OC)C2)c([O-])c1 ZINC000768754141 646158726 /nfs/dbraw/zinc/15/87/26/646158726.db2.gz PXJDYGKARSEELL-AWEZNQCLSA-N 0 3 265.353 2.402 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCC3(CC3)C1)[C@@H](O)CO2 ZINC000769798600 646317780 /nfs/dbraw/zinc/31/77/80/646317780.db2.gz NMAYDBIXCAPVHS-AWEZNQCLSA-N 0 3 275.348 2.194 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCC3(CC3)C1)[C@@H](O)CO2 ZINC000769798600 646317788 /nfs/dbraw/zinc/31/77/88/646317788.db2.gz NMAYDBIXCAPVHS-AWEZNQCLSA-N 0 3 275.348 2.194 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285919 646376855 /nfs/dbraw/zinc/37/68/55/646376855.db2.gz LSNBGXOZXUEVOH-OCCSQVGLSA-N 0 3 277.364 2.402 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000770285919 646376862 /nfs/dbraw/zinc/37/68/62/646376862.db2.gz LSNBGXOZXUEVOH-OCCSQVGLSA-N 0 3 277.364 2.402 20 10 CECDHN O=C([C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000770509544 646400199 /nfs/dbraw/zinc/40/01/99/646400199.db2.gz DHUWPYVMJRMIGE-OAHLLOKOSA-N 0 3 288.391 2.227 20 10 CECDHN O=C([C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1)N1CCCC1 ZINC000770509544 646400204 /nfs/dbraw/zinc/40/02/04/646400204.db2.gz DHUWPYVMJRMIGE-OAHLLOKOSA-N 0 3 288.391 2.227 20 10 CECDHN CCOC(=O)CC[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000770511068 646400410 /nfs/dbraw/zinc/40/04/10/646400410.db2.gz YKWSHNDLDNZGLX-UHFFFAOYSA-N 0 3 263.337 2.310 20 10 CECDHN CCOC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000770511068 646400412 /nfs/dbraw/zinc/40/04/12/646400412.db2.gz YKWSHNDLDNZGLX-UHFFFAOYSA-N 0 3 263.337 2.310 20 10 CECDHN COc1ccc(O)c(CN[C@@H](CO)c2ccsc2)c1 ZINC000770667511 646423456 /nfs/dbraw/zinc/42/34/56/646423456.db2.gz GUEDCJQQERWPJH-ZDUSSCGKSA-N 0 3 279.361 2.286 20 10 CECDHN OC[C@H](NCc1cc(F)ccc1O)c1ccsc1 ZINC000770669555 646424319 /nfs/dbraw/zinc/42/43/19/646424319.db2.gz YXHFMEOMDKEGQY-LBPRGKRZSA-N 0 3 267.325 2.416 20 10 CECDHN CC[C@H](N[C@H](C)C(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000773046416 646699169 /nfs/dbraw/zinc/69/91/69/646699169.db2.gz LFPGBGPENBMODQ-DOMZBBRYSA-N 0 3 277.412 2.270 20 10 CECDHN CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774618423 646868080 /nfs/dbraw/zinc/86/80/80/646868080.db2.gz JTMYCPUDRLTBPU-YVLXSGLVSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@@H]1[C@H](C)CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000774618423 646868083 /nfs/dbraw/zinc/86/80/83/646868083.db2.gz JTMYCPUDRLTBPU-YVLXSGLVSA-N 0 3 277.364 2.438 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1ccccc1[O-] ZINC000775522023 646962626 /nfs/dbraw/zinc/96/26/26/646962626.db2.gz HMRPHOBZEAUHGV-NOLJZWGESA-N 0 3 278.396 2.152 20 10 CECDHN C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC000775983273 647013628 /nfs/dbraw/zinc/01/36/28/647013628.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000775983273 647013631 /nfs/dbraw/zinc/01/36/31/647013631.db2.gz BZEZUVMFZCQNKK-WDEREUQCSA-N 0 3 252.333 2.056 20 10 CECDHN Cn1ccnc1[C@H](NCc1ccccc1O)C1CC1 ZINC000776482198 647065183 /nfs/dbraw/zinc/06/51/83/647065183.db2.gz IYOALQRTWLLQHD-CQSZACIVSA-N 0 3 257.337 2.367 20 10 CECDHN C[C@H](Cc1cnccn1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000779059402 647283777 /nfs/dbraw/zinc/28/37/77/647283777.db2.gz FIBAABUUQZFHSA-SNVBAGLBSA-N 0 3 261.300 2.042 20 10 CECDHN CCC[C@@H](CCO)[NH2+]Cc1c([O-])cccc1OC ZINC000865663265 647413931 /nfs/dbraw/zinc/41/39/31/647413931.db2.gz NJFUJTCEWAVXFP-NSHDSACASA-N 0 3 253.342 2.042 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000865690539 647424063 /nfs/dbraw/zinc/42/40/63/647424063.db2.gz IGEQTWHKFLMWPM-JBLDHEPKSA-N 0 3 251.326 2.056 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](C)[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000865710500 647432825 /nfs/dbraw/zinc/43/28/25/647432825.db2.gz AWBCGMCXYNTHCV-QPUJVOFHSA-N 0 3 293.285 2.192 20 10 CECDHN COC(=O)N1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000783505592 647722383 /nfs/dbraw/zinc/72/23/83/647722383.db2.gz IEWZPAVOYQOPGF-VXGBXAGGSA-N 0 3 278.352 2.274 20 10 CECDHN C[C@@H](NCc1ccnc(N(C)C)n1)c1ccccc1O ZINC000783525756 647725198 /nfs/dbraw/zinc/72/51/98/647725198.db2.gz NVKQPUAZHSVFQA-LLVKDONJSA-N 0 3 272.352 2.099 20 10 CECDHN CN(C)c1ccc(CN2CCOCC3(CC3)C2)cc1 ZINC000783594228 647734585 /nfs/dbraw/zinc/73/45/85/647734585.db2.gz FDDHIWZNXYIMNE-UHFFFAOYSA-N 0 3 260.381 2.365 20 10 CECDHN C[C@H](N[C@@H]1COC[C@@H]1O)c1ccc(N2CCCCC2)cc1 ZINC000866418961 647780819 /nfs/dbraw/zinc/78/08/19/647780819.db2.gz ZWULAFDTGHWKSX-XKQJLSEDSA-N 0 3 290.407 2.087 20 10 CECDHN C[C@H]([NH2+]CCOCC(=O)OC(C)(C)C)c1ccccc1[O-] ZINC000866437577 647786549 /nfs/dbraw/zinc/78/65/49/647786549.db2.gz KBNAUYRRHCBDKD-LBPRGKRZSA-N 0 3 295.379 2.401 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](O)C(F)(F)F ZINC000866463034 647795783 /nfs/dbraw/zinc/79/57/83/647795783.db2.gz HCUULPOYJSRHMZ-VMAXQDLPSA-N 0 3 275.270 2.281 20 10 CECDHN CC[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(C)cc1[O-] ZINC000866495620 647805737 /nfs/dbraw/zinc/80/57/37/647805737.db2.gz FWZRBCHEHXPMLY-OAHLLOKOSA-N 0 3 298.390 2.420 20 10 CECDHN CCOc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000784641321 647871631 /nfs/dbraw/zinc/87/16/31/647871631.db2.gz XKDNJWVPEOVHPS-XHDPSFHLSA-N 0 3 265.353 2.448 20 10 CECDHN CNC(=O)[C@@H]([NH2+]Cc1cc(Cl)cc(C)c1[O-])C(C)C ZINC000787323752 648098994 /nfs/dbraw/zinc/09/89/94/648098994.db2.gz QGBSAYXNZGCZDK-LBPRGKRZSA-N 0 3 284.787 2.214 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c([O-])c1 ZINC000787420841 648107420 /nfs/dbraw/zinc/10/74/20/648107420.db2.gz KYLZOKDNDKSCTL-FZMZJTMJSA-N 0 3 293.363 2.174 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)c([O-])c1 ZINC000787420841 648107422 /nfs/dbraw/zinc/10/74/22/648107422.db2.gz KYLZOKDNDKSCTL-FZMZJTMJSA-N 0 3 293.363 2.174 20 10 CECDHN CCOc1ccc(C[NH2+]CCC2(O)CCC2)c([O-])c1 ZINC000790637721 648437360 /nfs/dbraw/zinc/43/73/60/648437360.db2.gz MUGRQSFRTPJRDI-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN [O-]c1cc2c(cc1C[NH+]1CCC(CCF)CC1)[C@H](O)CO2 ZINC000872648413 649448534 /nfs/dbraw/zinc/44/85/34/649448534.db2.gz LJLFBCGSOVCLBV-OAHLLOKOSA-N 0 3 295.354 2.390 20 10 CECDHN COc1coc(C[NH2+][C@H](C)c2ccccc2[O-])cc1=O ZINC000879648499 651335189 /nfs/dbraw/zinc/33/51/89/651335189.db2.gz RHBHPBQVFZTWCP-SNVBAGLBSA-N 0 3 275.304 2.205 20 10 CECDHN COc1coc(CN[C@H](C)c2ccccc2O)cc1=O ZINC000879648499 651335190 /nfs/dbraw/zinc/33/51/90/651335190.db2.gz RHBHPBQVFZTWCP-SNVBAGLBSA-N 0 3 275.304 2.205 20 10 CECDHN CCN1CCC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000882942498 652280578 /nfs/dbraw/zinc/28/05/78/652280578.db2.gz FFWIXSCLHNCOHH-NSHDSACASA-N 0 3 284.350 2.492 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CC1CCC1 ZINC000883126535 652370955 /nfs/dbraw/zinc/37/09/55/652370955.db2.gz RUKFJVDXPYEKNR-GFCCVEGCSA-N 0 3 265.353 2.042 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392017 652453106 /nfs/dbraw/zinc/45/31/06/652453106.db2.gz YHZZKXSDRDBDAP-UHFFFAOYSA-N 0 3 277.364 2.450 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132196408 652503014 /nfs/dbraw/zinc/50/30/14/652503014.db2.gz GMJWKLOHUNJCBM-OLZOCXBDSA-N 0 3 266.772 2.372 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC2(COC2)CC1 ZINC001140057790 802549855 /nfs/dbraw/zinc/54/98/55/802549855.db2.gz MJXBTJOKDXHKAL-UHFFFAOYSA-N 0 3 251.301 2.144 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000723543907 802884861 /nfs/dbraw/zinc/88/48/61/802884861.db2.gz BIMSUAIZIKDSEO-QWHCGFSZSA-N 0 3 276.380 2.220 20 10 CECDHN C[C@@H]([NH2+]Cc1cccc(C(N)=O)c1)c1ccccc1[O-] ZINC000036902834 814940402 /nfs/dbraw/zinc/94/04/02/814940402.db2.gz PBRQMYKBZZQFFL-LLVKDONJSA-N 0 3 270.332 2.342 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CCCCS1(=O)=O)c1ccccc1[O-] ZINC000694515735 803560000 /nfs/dbraw/zinc/56/00/00/803560000.db2.gz QUEGGZPVRODAIP-NWDGAFQWSA-N 0 3 283.393 2.010 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@@H](CCO)C2)c(OC)c1 ZINC001141028625 803666879 /nfs/dbraw/zinc/66/68/79/803666879.db2.gz XMDIJMRZCLXUIH-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@@H](CCO)C2)c(OC)c1 ZINC001141028625 803666883 /nfs/dbraw/zinc/66/68/83/803666883.db2.gz XMDIJMRZCLXUIH-LBPRGKRZSA-N 0 3 295.379 2.004 20 10 CECDHN CCCNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000037280111 815134619 /nfs/dbraw/zinc/13/46/19/815134619.db2.gz MHRTTXYDYOHOHE-OLZOCXBDSA-N 0 3 277.412 2.318 20 10 CECDHN [NH3+][C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001205124695 807724633 /nfs/dbraw/zinc/72/46/33/807724633.db2.gz YFLLVTFAOVGBRM-SNVBAGLBSA-N 0 3 272.751 2.498 20 10 CECDHN COCC(COC)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000388404614 807955634 /nfs/dbraw/zinc/95/56/34/807955634.db2.gz RFKCBCJZTADWPR-LLVKDONJSA-N 0 3 253.342 2.013 20 10 CECDHN C[N@@H+]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691682368 808026387 /nfs/dbraw/zinc/02/63/87/808026387.db2.gz QDXIJBGFGWAFRE-UHFFFAOYSA-N 0 3 299.212 2.292 20 10 CECDHN C[N@H+]1CCCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000691682368 808026394 /nfs/dbraw/zinc/02/63/94/808026394.db2.gz QDXIJBGFGWAFRE-UHFFFAOYSA-N 0 3 299.212 2.292 20 10 CECDHN CC[C@H]([NH2+]CC1(S(=O)(=O)CC)CC1)c1ccccc1[O-] ZINC000693481901 808858445 /nfs/dbraw/zinc/85/84/45/808858445.db2.gz VFYBCRMXBOXJDU-ZDUSSCGKSA-N 0 3 297.420 2.400 20 10 CECDHN COc1cncc(CNCc2ccc(N(C)C)cc2)c1 ZINC000704216539 809724493 /nfs/dbraw/zinc/72/44/93/809724493.db2.gz FIUSHFVLZFNTDL-UHFFFAOYSA-N 0 3 271.364 2.446 20 10 CECDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000704430763 809733562 /nfs/dbraw/zinc/73/35/62/809733562.db2.gz XGCXJQKJFJSBMO-HNNXBMFYSA-N 0 3 277.412 2.132 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000708480834 809928969 /nfs/dbraw/zinc/92/89/69/809928969.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000708480834 809928973 /nfs/dbraw/zinc/92/89/73/809928973.db2.gz MMVBBCIELRXWNJ-CHWSQXEVSA-N 0 3 282.334 2.387 20 10 CECDHN C[C@@H]([NH2+][C@H]1CCN(C2CCC2)C1=O)c1ccccc1[O-] ZINC000708660847 809933317 /nfs/dbraw/zinc/93/33/17/809933317.db2.gz WVJKGPZXCIKFAX-RISCZKNCSA-N 0 3 274.364 2.196 20 10 CECDHN COC[C@H](CC[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000710600977 810001294 /nfs/dbraw/zinc/00/12/94/810001294.db2.gz GJDQVOMEHJCDQS-QWHCGFSZSA-N 0 3 265.353 2.021 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC001169335224 811489752 /nfs/dbraw/zinc/48/97/52/811489752.db2.gz QSHUHPGLZRGEAM-JMSVASOKSA-N 0 3 293.363 2.154 20 10 CECDHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2n[nH]c(C)n2)c1 ZINC000392461493 813304241 /nfs/dbraw/zinc/30/42/41/813304241.db2.gz OZHSZDLZLHHZGM-RKDXNWHRSA-N 0 3 276.340 2.239 20 10 CECDHN O=C1CCN(Cc2c(O)cc(O)cc2O)[C@H]2CCCC[C@H]12 ZINC001144500069 814089363 /nfs/dbraw/zinc/08/93/63/814089363.db2.gz OHLGQFLFEUXYAB-AAEUAGOBSA-N 0 3 291.347 2.137 20 10 CECDHN O=C1CCN(Cc2c(O)cc(O)cc2O)[C@@H]2CCCC[C@@H]12 ZINC001144500070 814090057 /nfs/dbraw/zinc/09/00/57/814090057.db2.gz OHLGQFLFEUXYAB-DGCLKSJQSA-N 0 3 291.347 2.137 20 10 CECDHN CN1CCC[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137840242 815694623 /nfs/dbraw/zinc/69/46/23/815694623.db2.gz UKTRTTVWNATNAY-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN CN1CCC[C@H]2C[N@@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137840242 815694626 /nfs/dbraw/zinc/69/46/26/815694626.db2.gz UKTRTTVWNATNAY-FZMZJTMJSA-N 0 3 264.344 2.057 20 10 CECDHN COC(=O)c1ccc(Nc2ccncc2C)c(O)c1 ZINC001174539681 816026713 /nfs/dbraw/zinc/02/67/13/816026713.db2.gz PTAKWOKCLWAQIM-UHFFFAOYSA-N 0 3 258.277 2.048 20 10 CECDHN CN(C)c1ccc(CN2CCc3cccc(O)c3C2)cn1 ZINC001139457903 816030154 /nfs/dbraw/zinc/03/01/54/816030154.db2.gz BIHFKUMTGPBUDL-UHFFFAOYSA-N 0 3 283.375 2.412 20 10 CECDHN [O-]c1cnccc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001140280366 816224647 /nfs/dbraw/zinc/22/46/47/816224647.db2.gz IEZGCASWWMGTOF-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN [O-]c1cnccc1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140280366 816224654 /nfs/dbraw/zinc/22/46/54/816224654.db2.gz IEZGCASWWMGTOF-UHFFFAOYSA-N 0 3 256.305 2.051 20 10 CECDHN CN(C)c1ccc(CN2CC[C@](C)(O)C2)c(Cl)c1 ZINC001140922299 816410993 /nfs/dbraw/zinc/41/09/93/816410993.db2.gz NILLNYUDFUUETJ-AWEZNQCLSA-N 0 3 268.788 2.363 20 10 CECDHN COc1ncnc2c1CC[N@H+](Cc1ccc(C)cc1[O-])CC2 ZINC001140950142 816422292 /nfs/dbraw/zinc/42/22/92/816422292.db2.gz OKSBCVGGOODXQN-UHFFFAOYSA-N 0 3 299.374 2.100 20 10 CECDHN COc1ncnc2c1CC[N@@H+](Cc1ccc(C)cc1[O-])CC2 ZINC001140950142 816422297 /nfs/dbraw/zinc/42/22/97/816422297.db2.gz OKSBCVGGOODXQN-UHFFFAOYSA-N 0 3 299.374 2.100 20 10 CECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950931 816424400 /nfs/dbraw/zinc/42/44/00/816424400.db2.gz PMDNJVFKVGYXJV-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@H]1C[C@@H](C)C[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140950931 816424402 /nfs/dbraw/zinc/42/44/02/816424402.db2.gz PMDNJVFKVGYXJV-TZMCWYRMSA-N 0 3 277.364 2.332 20 10 CECDHN COc1cc(O)c(CN2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001141028962 816450543 /nfs/dbraw/zinc/45/05/43/816450543.db2.gz FNTXNVMYXFMCKA-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001141028962 816450545 /nfs/dbraw/zinc/45/05/45/816450545.db2.gz FNTXNVMYXFMCKA-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CCC[C@]3(CCO3)C2)c(OC)c1 ZINC001141028962 816450550 /nfs/dbraw/zinc/45/05/50/816450550.db2.gz FNTXNVMYXFMCKA-INIZCTEOSA-N 0 3 293.363 2.164 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(OC)c1 ZINC001141032374 816452006 /nfs/dbraw/zinc/45/20/06/816452006.db2.gz ZVOVOZYTMLOUHA-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c(OC)c1 ZINC001141032374 816452012 /nfs/dbraw/zinc/45/20/12/816452012.db2.gz ZVOVOZYTMLOUHA-SMDDNHRTSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c(OC)c1 ZINC001141032371 816453201 /nfs/dbraw/zinc/45/32/01/816453201.db2.gz ZVOVOZYTMLOUHA-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c(OC)c1 ZINC001141032371 816453202 /nfs/dbraw/zinc/45/32/02/816453202.db2.gz ZVOVOZYTMLOUHA-BXUZGUMPSA-N 0 3 295.379 2.002 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCO[C@H]2CC)c([O-])c1 ZINC000839192578 816567562 /nfs/dbraw/zinc/56/75/62/816567562.db2.gz RVTQPIDTIPGNTD-HIFRSBDPSA-N 0 3 265.353 2.448 20 10 CECDHN COc1ccc(O)c(CN2CCCO[C@@H](C)C2)c1 ZINC000134152378 366290968 /nfs/dbraw/zinc/29/09/68/366290968.db2.gz RATGMYAFBAXZRZ-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000134152378 366290975 /nfs/dbraw/zinc/29/09/75/366290975.db2.gz RATGMYAFBAXZRZ-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000134152378 366290982 /nfs/dbraw/zinc/29/09/82/366290982.db2.gz RATGMYAFBAXZRZ-NSHDSACASA-N 0 3 251.326 2.012 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CSC ZINC000187911968 283297150 /nfs/dbraw/zinc/29/71/50/283297150.db2.gz UPISTZVZKFRBTI-CYBMUJFWSA-N 0 3 269.410 2.328 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CSC ZINC000187911968 283297151 /nfs/dbraw/zinc/29/71/51/283297151.db2.gz UPISTZVZKFRBTI-CYBMUJFWSA-N 0 3 269.410 2.328 20 10 CECDHN COc1cccc(CN2CCC[C@@H](OC)C2)c1O ZINC000091772676 364073840 /nfs/dbraw/zinc/07/38/40/364073840.db2.gz UBEHEUCQDALLHD-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@H](OC)C2)c1[O-] ZINC000091772676 364073842 /nfs/dbraw/zinc/07/38/42/364073842.db2.gz UBEHEUCQDALLHD-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@H](OC)C2)c1[O-] ZINC000091772676 364073843 /nfs/dbraw/zinc/07/38/43/364073843.db2.gz UBEHEUCQDALLHD-GFCCVEGCSA-N 0 3 251.326 2.012 20 10 CECDHN CN(C)c1ccc(CN2CCC(Cn3ccnn3)CC2)cc1 ZINC000092097792 364075098 /nfs/dbraw/zinc/07/50/98/364075098.db2.gz AEESJHIDQUAVMW-UHFFFAOYSA-N 0 3 299.422 2.256 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000159951008 366960960 /nfs/dbraw/zinc/96/09/60/366960960.db2.gz AEBVMJATUNGZEW-GFCCVEGCSA-N 0 3 265.353 2.448 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)CO)c1[O-] ZINC000169089544 367365090 /nfs/dbraw/zinc/36/50/90/367365090.db2.gz VNQBZCSHNALDRI-RKDXNWHRSA-N 0 3 273.760 2.161 20 10 CECDHN CC[C@H](C)CN(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000171948771 367646009 /nfs/dbraw/zinc/64/60/09/367646009.db2.gz IWUZUWUVAKVEAX-AWEZNQCLSA-N 0 3 291.439 2.347 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245856307 370881123 /nfs/dbraw/zinc/88/11/23/370881123.db2.gz DPQUQJHXDYDOLS-ZDUSSCGKSA-N 0 3 266.772 2.326 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000245856307 370881124 /nfs/dbraw/zinc/88/11/24/370881124.db2.gz DPQUQJHXDYDOLS-ZDUSSCGKSA-N 0 3 266.772 2.326 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](OCCO)C2)c1[O-] ZINC000180175908 368369225 /nfs/dbraw/zinc/36/92/25/368369225.db2.gz DTVBOGQKPZLLEV-AWEZNQCLSA-N 0 3 299.798 2.327 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](OCCO)C2)c1[O-] ZINC000180175908 368369228 /nfs/dbraw/zinc/36/92/28/368369228.db2.gz DTVBOGQKPZLLEV-AWEZNQCLSA-N 0 3 299.798 2.327 20 10 CECDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000180170883 368370416 /nfs/dbraw/zinc/37/04/16/368370416.db2.gz MZHHCRRAQOXSQF-GXFFZTMASA-N 0 3 253.317 2.267 20 10 CECDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000180170883 368370418 /nfs/dbraw/zinc/37/04/18/368370418.db2.gz MZHHCRRAQOXSQF-GXFFZTMASA-N 0 3 253.317 2.267 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179843685 368353007 /nfs/dbraw/zinc/35/30/07/368353007.db2.gz RLMPLBHYYMIRQO-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179843685 368353011 /nfs/dbraw/zinc/35/30/11/368353011.db2.gz RLMPLBHYYMIRQO-CQSZACIVSA-N 0 3 277.364 2.476 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179939708 368359639 /nfs/dbraw/zinc/35/96/39/368359639.db2.gz HKZVGBQFZDMFBS-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179939708 368359644 /nfs/dbraw/zinc/35/96/44/368359644.db2.gz HKZVGBQFZDMFBS-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN COc1cc(O)c(CNCc2ccoc2)cc1OC ZINC000180519565 368384998 /nfs/dbraw/zinc/38/49/98/368384998.db2.gz CRFNSQUTODGOIB-UHFFFAOYSA-N 0 3 263.293 2.292 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC2CN(C(=O)OC)C2)cc1 ZINC000181473661 368460642 /nfs/dbraw/zinc/46/06/42/368460642.db2.gz IDFWGFNPSMOEJA-LBPRGKRZSA-N 0 3 291.395 2.244 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c([O-])c1 ZINC000185376202 368799705 /nfs/dbraw/zinc/79/97/05/368799705.db2.gz SJIQATRQJDQFLV-RRFJBIMHSA-N 0 3 292.423 2.460 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@H]2CCSC2)cc1OC ZINC000160499352 261215827 /nfs/dbraw/zinc/21/58/27/261215827.db2.gz QUZHWRDSLPSIPB-NSHDSACASA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@H]2CCSC2)cc1OC ZINC000160499352 261215831 /nfs/dbraw/zinc/21/58/31/261215831.db2.gz QUZHWRDSLPSIPB-NSHDSACASA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)[C@@H]2CCSC2)cc1OC ZINC000160499227 261216271 /nfs/dbraw/zinc/21/62/71/261216271.db2.gz QUZHWRDSLPSIPB-LLVKDONJSA-N 0 3 283.393 2.347 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)[C@@H]2CCSC2)cc1OC ZINC000160499227 261216272 /nfs/dbraw/zinc/21/62/72/261216272.db2.gz QUZHWRDSLPSIPB-LLVKDONJSA-N 0 3 283.393 2.347 20 10 CECDHN C[C@H](CCNC(=O)c1cccc(O)c1[O-])[NH+]1CCCCC1 ZINC000193161597 369900537 /nfs/dbraw/zinc/90/05/37/369900537.db2.gz TYPWODWUFYWFIS-GFCCVEGCSA-N 0 3 292.379 2.092 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(C)CCOCC2)c1 ZINC000224897492 370282252 /nfs/dbraw/zinc/28/22/52/370282252.db2.gz PZCHQUUSDKOEDF-UHFFFAOYSA-N 0 3 265.353 2.307 20 10 CECDHN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000227373741 370369626 /nfs/dbraw/zinc/36/96/26/370369626.db2.gz ZGPUJDQKBLIVAJ-LLVKDONJSA-N 0 3 281.352 2.008 20 10 CECDHN CN(C)c1ccc(CN(C)C(=O)CN(C)C2CCC2)cc1 ZINC000266602380 372049503 /nfs/dbraw/zinc/04/95/03/372049503.db2.gz ROTSNCMXQDJUQD-UHFFFAOYSA-N 0 3 289.423 2.195 20 10 CECDHN CC[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N(C)C ZINC000268831572 372245250 /nfs/dbraw/zinc/24/52/50/372245250.db2.gz WPKHNTVBAWAVGU-OAHLLOKOSA-N 0 3 289.423 2.025 20 10 CECDHN CO[C@H](C)[C@@H](C)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000268877898 372267877 /nfs/dbraw/zinc/26/78/77/372267877.db2.gz QVFCRPANTAPWFV-CHWSQXEVSA-N 0 3 296.386 2.175 20 10 CECDHN CC[C@@H](NCc1ccc2c(c1)CCO2)[C@H](O)C(F)(F)F ZINC000270966532 373037383 /nfs/dbraw/zinc/03/73/83/373037383.db2.gz ILMXHBLJAMGBIY-YPMHNXCESA-N 0 3 289.297 2.413 20 10 CECDHN CCOc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271265884 373186415 /nfs/dbraw/zinc/18/64/15/373186415.db2.gz LWXZFXDKTSYYTR-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271265884 373186430 /nfs/dbraw/zinc/18/64/30/373186430.db2.gz LWXZFXDKTSYYTR-GXTWGEPZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000271782147 373201177 /nfs/dbraw/zinc/20/11/77/373201177.db2.gz HVFRBLXQJKIEGN-WCQYABFASA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000271782147 373201184 /nfs/dbraw/zinc/20/11/84/373201184.db2.gz HVFRBLXQJKIEGN-WCQYABFASA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000271798521 373201778 /nfs/dbraw/zinc/20/17/78/373201778.db2.gz IMKREGTXEMXGPB-AULYBMBSSA-N 0 3 265.353 2.042 20 10 CECDHN Cc1cccc(C[NH2+]C[C@@](C)(O)c2ccco2)c1[O-] ZINC000271846877 373204506 /nfs/dbraw/zinc/20/45/06/373204506.db2.gz RZAVVLPKPVTNCM-OAHLLOKOSA-N 0 3 261.321 2.291 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@](C)(O)c2ccccc2)c1 ZINC000271814192 373204821 /nfs/dbraw/zinc/20/48/21/373204821.db2.gz LKOKLIMJHOSOHQ-QGZVFWFLSA-N 0 3 287.359 2.398 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809968 373264499 /nfs/dbraw/zinc/26/44/99/373264499.db2.gz LJOHCGPUAWKVGK-GDBMZVCRSA-N 0 3 277.364 2.335 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@]2(CCOC2)C1 ZINC000368809968 373264503 /nfs/dbraw/zinc/26/45/03/373264503.db2.gz LJOHCGPUAWKVGK-GDBMZVCRSA-N 0 3 277.364 2.335 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](O)C(F)(F)F ZINC000272520640 373529563 /nfs/dbraw/zinc/52/95/63/373529563.db2.gz YFPDBPGHVAHJJS-MWLCHTKSSA-N 0 3 281.249 2.323 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000273175724 373749119 /nfs/dbraw/zinc/74/91/19/373749119.db2.gz NHPSVCBYGHDANU-HOTGVXAUSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1ccc([C@@H](C)N[C@H](CO)c2cnn(C)c2)c(O)c1C ZINC000273498525 373759358 /nfs/dbraw/zinc/75/93/58/373759358.db2.gz PTWZNTVAUBHNOX-IUODEOHRSA-N 0 3 289.379 2.127 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)C)C2)c([O-])c1 ZINC000273529601 373762286 /nfs/dbraw/zinc/76/22/86/373762286.db2.gz WANXKJKSXCRVFW-QWHCGFSZSA-N 0 3 276.380 2.361 20 10 CECDHN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCC1)c1ccccc1[O-] ZINC000281186824 375360130 /nfs/dbraw/zinc/36/01/30/375360130.db2.gz QZGLSLTUDFFUJU-LLVKDONJSA-N 0 3 283.393 2.010 20 10 CECDHN COC(=O)[C@]1(C)C[N@H+](Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000282883708 375603433 /nfs/dbraw/zinc/60/34/33/375603433.db2.gz YRWQJXKGZFKSOU-BDJLRTHQSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@]1(C)C[N@@H+](Cc2cccc(OC)c2[O-])C[C@H]1C ZINC000282883708 375603437 /nfs/dbraw/zinc/60/34/37/375603437.db2.gz YRWQJXKGZFKSOU-BDJLRTHQSA-N 0 3 293.363 2.032 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](CO)[C@@H]2CCOC2)c([O-])c1 ZINC000284940792 375833520 /nfs/dbraw/zinc/83/35/20/375833520.db2.gz DUTQUSDYPAIOMS-RRFJBIMHSA-N 0 3 293.407 2.305 20 10 CECDHN CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1ccc(F)cc1[O-] ZINC000286035334 375847986 /nfs/dbraw/zinc/84/79/86/375847986.db2.gz JLIPEEBQLGDOJL-GFCCVEGCSA-N 0 3 278.331 2.241 20 10 CECDHN CC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1ccc(F)cc1[O-] ZINC000286035334 375847991 /nfs/dbraw/zinc/84/79/91/375847991.db2.gz JLIPEEBQLGDOJL-GFCCVEGCSA-N 0 3 278.331 2.241 20 10 CECDHN COc1cccc(C[N@@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000311609118 376680045 /nfs/dbraw/zinc/68/00/45/376680045.db2.gz FFWUYQBHGNQRQO-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN COc1cccc(C[N@H+]2CCCOC(C)(C)C2)c1[O-] ZINC000311609118 376680054 /nfs/dbraw/zinc/68/00/54/376680054.db2.gz FFWUYQBHGNQRQO-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1cc(CN(CC(N)=O)CC(C)C)ccc1N(C)C ZINC000293671246 377689874 /nfs/dbraw/zinc/68/98/74/377689874.db2.gz ZLTFMGBAFHHOAO-UHFFFAOYSA-N 0 3 277.412 2.004 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1 ZINC000294955520 378031281 /nfs/dbraw/zinc/03/12/81/378031281.db2.gz DMILLKQZVIORLE-WCQYABFASA-N 0 3 289.322 2.285 20 10 CECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)c2cnn(C)c2)c([O-])c1 ZINC000294841728 378024080 /nfs/dbraw/zinc/02/40/80/378024080.db2.gz RXRYWQUENNHJCK-DOMZBBRYSA-N 0 3 289.379 2.127 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc2c(cc1[O-])CCCC2 ZINC000295874220 378339232 /nfs/dbraw/zinc/33/92/32/378339232.db2.gz GMBYVQRSUZESHF-LEWSCRJBSA-N 0 3 261.365 2.445 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@H]2CCCNC2=O)cc1 ZINC000296325598 378491091 /nfs/dbraw/zinc/49/10/91/378491091.db2.gz GZSJMNQBHQBLAG-WFASDCNBSA-N 0 3 275.396 2.072 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCc3cccc([O-])c32)c(=O)n1C ZINC000296518806 378561206 /nfs/dbraw/zinc/56/12/06/378561206.db2.gz QUWMQGQIPQNGEP-CQSZACIVSA-N 0 3 284.359 2.176 20 10 CECDHN CCCN(CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000298176171 378695088 /nfs/dbraw/zinc/69/50/88/378695088.db2.gz RENSMHUXNKOIGA-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)c([O-])c1 ZINC000131940020 394921763 /nfs/dbraw/zinc/92/17/63/394921763.db2.gz IHEXXLDHKGTZNS-BXUZGUMPSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@H](C)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000133831477 394955423 /nfs/dbraw/zinc/95/54/23/394955423.db2.gz XCUWQWUKWFFGGX-LBPRGKRZSA-N 0 3 292.379 2.037 20 10 CECDHN CC[C@H](C)N1CCN(Cc2cccc(OC)c2O)CC1 ZINC000133826181 394955526 /nfs/dbraw/zinc/95/55/26/394955526.db2.gz APVMPGXOSINVBY-ZDUSSCGKSA-N 0 3 278.396 2.317 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCO[C@@H]3CCC[C@@H]31)OCO2 ZINC000374256686 395077985 /nfs/dbraw/zinc/07/79/85/395077985.db2.gz WYUQPFROSRWUON-GXTWGEPZSA-N 0 3 291.347 2.264 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCCO[C@@H]3CCC[C@@H]31)OCO2 ZINC000374256686 395077988 /nfs/dbraw/zinc/07/79/88/395077988.db2.gz WYUQPFROSRWUON-GXTWGEPZSA-N 0 3 291.347 2.264 20 10 CECDHN Oc1cc2c(cc1CN1CCCO[C@@H]3CCC[C@@H]31)OCO2 ZINC000374256686 395077992 /nfs/dbraw/zinc/07/79/92/395077992.db2.gz WYUQPFROSRWUON-GXTWGEPZSA-N 0 3 291.347 2.264 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675390 395085425 /nfs/dbraw/zinc/08/54/25/395085425.db2.gz DBAQEYNJQKLPHJ-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN COC(=O)[C@]12CCC[C@H]1C[N@@H+](Cc1cccc(C)c1[O-])C2 ZINC000374675390 395085432 /nfs/dbraw/zinc/08/54/32/395085432.db2.gz DBAQEYNJQKLPHJ-YOEHRIQHSA-N 0 3 289.375 2.476 20 10 CECDHN C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1ccccc1[O-] ZINC000289740636 395085788 /nfs/dbraw/zinc/08/57/88/395085788.db2.gz QCYHBWOHOAYDMP-HIFRSBDPSA-N 0 3 260.381 2.451 20 10 CECDHN C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1ccccc1[O-] ZINC000289740636 395085790 /nfs/dbraw/zinc/08/57/90/395085790.db2.gz QCYHBWOHOAYDMP-HIFRSBDPSA-N 0 3 260.381 2.451 20 10 CECDHN CCN(C)c1ccc([C@H](C)N[C@@H]2CCCCNC2=O)cc1 ZINC000177873349 395157670 /nfs/dbraw/zinc/15/76/70/395157670.db2.gz UNBXNIPOCAXVJD-XJKSGUPXSA-N 0 3 289.423 2.462 20 10 CECDHN Cc1cc(O)c(CN2CCCC3(C2)OCCO3)cc1C ZINC000182082334 395232575 /nfs/dbraw/zinc/23/25/75/395232575.db2.gz BZRDTJYPPAUFGS-UHFFFAOYSA-N 0 3 277.364 2.348 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)Cn2ccnc2C)c1 ZINC000182462029 395242093 /nfs/dbraw/zinc/24/20/93/395242093.db2.gz FETFQIMQDZGUJY-LBPRGKRZSA-N 0 3 289.379 2.332 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C ZINC000529676586 395430167 /nfs/dbraw/zinc/43/01/67/395430167.db2.gz KPJUSSOMVMITCG-SIFCLUCFSA-N 0 3 293.432 2.494 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)cc1C ZINC000529676586 395430168 /nfs/dbraw/zinc/43/01/68/395430168.db2.gz KPJUSSOMVMITCG-SIFCLUCFSA-N 0 3 293.432 2.494 20 10 CECDHN CCN(CC)c1ccc(CNCC(=O)NC(C)C)cc1 ZINC000035136005 172003125 /nfs/dbraw/zinc/00/31/25/172003125.db2.gz JQVBSLYLDYMDOF-UHFFFAOYSA-N 0 3 277.412 2.147 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]CCc1ccco1)OCO2 ZINC000042879739 174901375 /nfs/dbraw/zinc/90/13/75/174901375.db2.gz FNIJISLHXSULKJ-UHFFFAOYSA-N 0 3 261.277 2.046 20 10 CECDHN CC(=O)NC[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000155602232 261104599 /nfs/dbraw/zinc/10/45/99/261104599.db2.gz UGTJWMXOTSDPRL-MRXNPFEDSA-N 0 3 289.423 2.101 20 10 CECDHN CC[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)c1ccccc1[O-] ZINC000156563211 261126551 /nfs/dbraw/zinc/12/65/51/261126551.db2.gz WKDVJAZHISCEDK-YPMHNXCESA-N 0 3 285.409 2.256 20 10 CECDHN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2[O-])C1 ZINC000185788568 262070796 /nfs/dbraw/zinc/07/07/96/262070796.db2.gz UHGFOBPWLBJWAZ-OLZOCXBDSA-N 0 3 276.380 2.362 20 10 CECDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1 ZINC000186047770 262077048 /nfs/dbraw/zinc/07/70/48/262077048.db2.gz UQZWSFFMYJVVNK-TZMCWYRMSA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)c1 ZINC000186047790 262077237 /nfs/dbraw/zinc/07/72/37/262077237.db2.gz UQZWSFFMYJVVNK-GXTWGEPZSA-N 0 3 276.380 2.361 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000186088385 262079370 /nfs/dbraw/zinc/07/93/70/262079370.db2.gz DJRSHICQWRIMAP-RYUDHWBXSA-N 0 3 274.364 2.115 20 10 CECDHN COC[C@H](O)CC[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000186203096 262084347 /nfs/dbraw/zinc/08/43/47/262084347.db2.gz YKBYBKNKYOZDON-SWLSCSKDSA-N 0 3 293.407 2.319 20 10 CECDHN COc1cccc(C[NH2+]CC2(O)Cc3ccccc3C2)c1[O-] ZINC000371700881 262104375 /nfs/dbraw/zinc/10/43/75/262104375.db2.gz LONHDXUSDPONCA-UHFFFAOYSA-N 0 3 299.370 2.020 20 10 CECDHN COCC(C)(C)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000277008307 263039424 /nfs/dbraw/zinc/03/94/24/263039424.db2.gz XQAOTHBBFSWUNE-UHFFFAOYSA-N 0 3 253.342 2.163 20 10 CECDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC2(CCOCC2)O1 ZINC000280402253 263061280 /nfs/dbraw/zinc/06/12/80/263061280.db2.gz HEUMYJSPFSKCBD-CYBMUJFWSA-N 0 3 277.364 2.162 20 10 CECDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC2(CCOCC2)O1 ZINC000280402253 263061281 /nfs/dbraw/zinc/06/12/81/263061281.db2.gz HEUMYJSPFSKCBD-CYBMUJFWSA-N 0 3 277.364 2.162 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368045723 267141876 /nfs/dbraw/zinc/14/18/76/267141876.db2.gz WEZUEGGVIYPXEM-GMZLATJGSA-N 0 3 288.391 2.429 20 10 CECDHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368045723 267141879 /nfs/dbraw/zinc/14/18/79/267141879.db2.gz WEZUEGGVIYPXEM-GMZLATJGSA-N 0 3 288.391 2.429 20 10 CECDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000375857753 267912861 /nfs/dbraw/zinc/91/28/61/267912861.db2.gz DLMCWRSPLQSNSM-HOTGVXAUSA-N 0 3 288.391 2.368 20 10 CECDHN CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000375857753 267912863 /nfs/dbraw/zinc/91/28/63/267912863.db2.gz DLMCWRSPLQSNSM-HOTGVXAUSA-N 0 3 288.391 2.368 20 10 CECDHN CCN(Cc1ccc(N(C)C)c(F)c1)[C@H](C)CO ZINC000292730315 276140908 /nfs/dbraw/zinc/14/09/08/276140908.db2.gz GEMSIJMHGUNTSI-LLVKDONJSA-N 0 3 254.349 2.094 20 10 CECDHN COC[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCCO1 ZINC000278928495 277569832 /nfs/dbraw/zinc/56/98/32/277569832.db2.gz USMWMBXFYMTMCR-GDBMZVCRSA-N 0 3 296.386 2.175 20 10 CECDHN CCN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296095305 279315003 /nfs/dbraw/zinc/31/50/03/279315003.db2.gz UBHLPRDTZSMVCI-KGLIPLIRSA-N 0 3 260.381 2.453 20 10 CECDHN COC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000273586998 292807751 /nfs/dbraw/zinc/80/77/51/292807751.db2.gz OAXGDCVGZICDDC-CHWSQXEVSA-N 0 3 267.369 2.057 20 10 CECDHN COc1cccc(C[NH2+][C@H]2[C@@H](C)[C@@H](C)O[C@H]2C)c1[O-] ZINC000527803577 313204711 /nfs/dbraw/zinc/20/47/11/313204711.db2.gz HAYLNOGZHKUYEA-MIJXAVMKSA-N 0 3 265.353 2.302 20 10 CECDHN C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000269056277 328189265 /nfs/dbraw/zinc/18/92/65/328189265.db2.gz WUQBDPZFDWTDLT-STQMWFEESA-N 0 3 273.384 2.083 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)CCO)c1 ZINC000295106741 327605957 /nfs/dbraw/zinc/60/59/57/327605957.db2.gz LBHJMICZHBFLJH-NEPJUHHUSA-N 0 3 267.369 2.460 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccccc1[O-] ZINC000377409040 329014606 /nfs/dbraw/zinc/01/46/06/329014606.db2.gz HIJMHBPETGSBGM-WDEREUQCSA-N 0 3 257.337 2.323 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccccc1[O-] ZINC000377409040 329014607 /nfs/dbraw/zinc/01/46/07/329014607.db2.gz HIJMHBPETGSBGM-WDEREUQCSA-N 0 3 257.337 2.323 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000219906429 333159007 /nfs/dbraw/zinc/15/90/07/333159007.db2.gz BZXDEKKCUYKNKM-DGCLKSJQSA-N 0 3 265.353 2.448 20 10 CECDHN CCC(CC)(CO)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000224922048 333227529 /nfs/dbraw/zinc/22/75/29/333227529.db2.gz FQYVHLAQLWOTQJ-UHFFFAOYSA-N 0 3 267.369 2.289 20 10 CECDHN CN(CC[NH2+]Cc1cc(F)ccc1[O-])C1CCCC1 ZINC000226606637 333266126 /nfs/dbraw/zinc/26/61/26/333266126.db2.gz AVBZQYLGMMEGRT-UHFFFAOYSA-N 0 3 266.360 2.495 20 10 CECDHN CCOc1cccc(C[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000230159852 333315393 /nfs/dbraw/zinc/31/53/93/333315393.db2.gz XSICSHWPOXDXNU-GFCCVEGCSA-N 0 3 267.369 2.289 20 10 CECDHN CCOCc1cc(CNC[C@@H](O)C2CC2)ccc1OC ZINC000265220019 520186063 /nfs/dbraw/zinc/18/60/63/520186063.db2.gz GNNATAUNOOKDDJ-OAHLLOKOSA-N 0 3 279.380 2.092 20 10 CECDHN CCC[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000236969192 520720192 /nfs/dbraw/zinc/72/01/92/520720192.db2.gz OADRFKMBAIIMMO-CQSZACIVSA-N 0 3 276.380 2.015 20 10 CECDHN CCOc1cccc(CN2CCN(C3CC3)CC2)c1O ZINC000127909132 521339986 /nfs/dbraw/zinc/33/99/86/521339986.db2.gz XZQOHKCKBUGTEO-UHFFFAOYSA-N 0 3 276.380 2.071 20 10 CECDHN CCN1CCCC[C@H]1CNC(=O)NCc1ccccc1O ZINC000264733216 521600258 /nfs/dbraw/zinc/60/02/58/521600258.db2.gz HASJNBWXGDOYKQ-AWEZNQCLSA-N 0 3 291.395 2.066 20 10 CECDHN CC[C@H]([NH2+]CC(=O)NC(C)C)c1ccc(C)cc1[O-] ZINC000279976002 522565947 /nfs/dbraw/zinc/56/59/47/522565947.db2.gz DIITUHXCTHOMNP-ZDUSSCGKSA-N 0 3 264.369 2.266 20 10 CECDHN COc1cc([O-])c(C[N@H+](C)CCCCCO)cc1OC ZINC000279325111 522770831 /nfs/dbraw/zinc/77/08/31/522770831.db2.gz CKDXVYINCRCYRX-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN COc1cc([O-])c(C[N@@H+](C)CCCCCO)cc1OC ZINC000279325111 522770833 /nfs/dbraw/zinc/77/08/33/522770833.db2.gz CKDXVYINCRCYRX-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(C)cc1[O-] ZINC000280117720 522850878 /nfs/dbraw/zinc/85/08/78/522850878.db2.gz OCLLFHRNMZWVNN-GDBMZVCRSA-N 0 3 292.423 2.198 20 10 CECDHN CC[C@H](c1ccccc1O)N1CCO[C@H](COC)C1 ZINC000366696208 522953184 /nfs/dbraw/zinc/95/31/84/522953184.db2.gz YJXGHVMRJBNQOZ-GXTWGEPZSA-N 0 3 265.353 2.191 20 10 CECDHN C[N@@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000211487188 523807936 /nfs/dbraw/zinc/80/79/36/523807936.db2.gz UJQXOAJVACXOCJ-UHFFFAOYSA-N 0 3 254.761 2.183 20 10 CECDHN C[N@H+]1CCCN(Cc2c([O-])cccc2Cl)CC1 ZINC000211487188 523807940 /nfs/dbraw/zinc/80/79/40/523807940.db2.gz UJQXOAJVACXOCJ-UHFFFAOYSA-N 0 3 254.761 2.183 20 10 CECDHN COc1ccc(CNCc2cccc(C)c2O)c(OC)n1 ZINC000290980294 524072869 /nfs/dbraw/zinc/07/28/69/524072869.db2.gz TZKLFIZHENNMAF-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN Cc1cccc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280137709 524406897 /nfs/dbraw/zinc/40/68/97/524406897.db2.gz CTLVFXDTCDKNQV-CJNGLKHVSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@H](CO)CC(C)C)c1 ZINC000290665335 524733039 /nfs/dbraw/zinc/73/30/39/524733039.db2.gz ZZQLGUSILLEQGX-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](CO)CC(C)C)c1 ZINC000290665335 524733047 /nfs/dbraw/zinc/73/30/47/524733047.db2.gz ZZQLGUSILLEQGX-ZDUSSCGKSA-N 0 3 267.369 2.240 20 10 CECDHN COc1ccc(O)c(CN[C@@H]2CCCc3c2cnn3C)c1 ZINC000037087195 524756101 /nfs/dbraw/zinc/75/61/01/524756101.db2.gz QUPZJIGISJUSDX-CQSZACIVSA-N 0 3 287.363 2.302 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134244026 524774488 /nfs/dbraw/zinc/77/44/88/524774488.db2.gz BPCQPYGYXPKMLB-OUJBWJOFSA-N 0 3 251.326 2.229 20 10 CECDHN Cc1cc(O)c(CN2CCOC3(CCOCC3)C2)cc1C ZINC000131218686 525315061 /nfs/dbraw/zinc/31/50/61/525315061.db2.gz PQGXJYNPZWGKRY-UHFFFAOYSA-N 0 3 291.391 2.390 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCCN(CCCO)C1)c1cc(F)ccc1[O-] ZINC000297368730 525552927 /nfs/dbraw/zinc/55/29/27/525552927.db2.gz QJWOIDKDPUYRDD-GXTWGEPZSA-N 0 3 296.386 2.029 20 10 CECDHN COc1cccc(C[N@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000290480966 525918887 /nfs/dbraw/zinc/91/88/87/525918887.db2.gz OAJASUAFISMLCT-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN COc1cccc(C[N@@H+](C)[C@@H](CO)CC(C)C)c1[O-] ZINC000290480966 525918894 /nfs/dbraw/zinc/91/88/94/525918894.db2.gz OAJASUAFISMLCT-CYBMUJFWSA-N 0 3 267.369 2.240 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(O)CCO[C@H]2C)c([O-])c1C ZINC000278866539 525924859 /nfs/dbraw/zinc/92/48/59/525924859.db2.gz RODYTVFOEVUZMX-HEHGZKQESA-N 0 3 279.380 2.200 20 10 CECDHN COc1cccc(C[NH2+]C2CCC(OC)CC2)c1[O-] ZINC000289383765 526012067 /nfs/dbraw/zinc/01/20/67/526012067.db2.gz CVBZRXZZZGNCNP-UHFFFAOYSA-N 0 3 265.353 2.448 20 10 CECDHN OCCCN(Cc1ccccn1)Cc1ccccc1O ZINC000289382678 527539082 /nfs/dbraw/zinc/53/90/82/527539082.db2.gz CTVKGFJATNKLKA-UHFFFAOYSA-N 0 3 272.348 2.172 20 10 CECDHN C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870015 574604411 /nfs/dbraw/zinc/60/44/11/574604411.db2.gz HVWYFBYIDGDIAR-MNOVXSKESA-N 0 3 282.409 2.304 20 10 CECDHN C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cc([O-])cs1 ZINC000731870015 574604412 /nfs/dbraw/zinc/60/44/12/574604412.db2.gz HVWYFBYIDGDIAR-MNOVXSKESA-N 0 3 282.409 2.304 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@](C)(O)c1cccs1 ZINC000740014576 574938998 /nfs/dbraw/zinc/93/89/98/574938998.db2.gz NUFZAMQVRYNHNV-HNNXBMFYSA-N 0 3 293.388 2.460 20 10 CECDHN Cn1cc(C(C)(C)NCc2ccc3c(c2)CCO3)cn1 ZINC000742374396 575017798 /nfs/dbraw/zinc/01/77/98/575017798.db2.gz WJYPWPBAMDXYSS-UHFFFAOYSA-N 0 3 271.364 2.380 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCSC2)c1 ZINC000742382535 575018660 /nfs/dbraw/zinc/01/86/60/575018660.db2.gz CNHXITPAOBBDFM-LLVKDONJSA-N 0 3 253.367 2.386 20 10 CECDHN c1cc(N2CCOCC2)ccc1CNCCOC1CCC1 ZINC000742385496 575019242 /nfs/dbraw/zinc/01/92/42/575019242.db2.gz HSCKFQSOFITFCQ-UHFFFAOYSA-N 0 3 290.407 2.182 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C1CCC(C)(O)CC1 ZINC000749294968 575212643 /nfs/dbraw/zinc/21/26/43/575212643.db2.gz GGCHYKBLNWKYLO-UHFFFAOYSA-N 0 3 265.353 2.184 20 10 CECDHN C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2cc([O-])cs2)C1 ZINC000749544850 575225000 /nfs/dbraw/zinc/22/50/00/575225000.db2.gz QBUGMXGGHXGXOT-UWVGGRQHSA-N 0 3 268.382 2.056 20 10 CECDHN C/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000891247709 623325038 /nfs/dbraw/zinc/32/50/38/623325038.db2.gz UMGMOJLKGICFPP-IDTUSYRASA-N 0 3 275.396 2.048 20 10 CECDHN C[C@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1ccccc1[O-] ZINC000840876545 625164295 /nfs/dbraw/zinc/16/42/95/625164295.db2.gz NUJGHKHKKFRIED-NSHDSACASA-N 0 3 285.409 2.256 20 10 CECDHN C[C@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)[S@](C)=O ZINC000311044811 627357761 /nfs/dbraw/zinc/35/77/61/627357761.db2.gz HDAOXAYXFHDZQA-MYFIVHGGSA-N 0 3 267.394 2.126 20 10 CECDHN CN1CCCc2cc(CNCc3c[nH]cn3)ccc21 ZINC000112344672 627884875 /nfs/dbraw/zinc/88/48/75/627884875.db2.gz JEKMPIWGGJTTGN-UHFFFAOYSA-N 0 3 256.353 2.082 20 10 CECDHN CN1CCCc2cc(CNCc3cnc[nH]3)ccc21 ZINC000112344672 627884888 /nfs/dbraw/zinc/88/48/88/627884888.db2.gz JEKMPIWGGJTTGN-UHFFFAOYSA-N 0 3 256.353 2.082 20 10 CECDHN Cc1cc(N(C)C)ccc1CNC1COC(C)(C)OC1 ZINC000840938409 628756325 /nfs/dbraw/zinc/75/63/25/628756325.db2.gz DJHIJZLQMIEXLE-UHFFFAOYSA-N 0 3 278.396 2.302 20 10 CECDHN CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(F)cc1[O-] ZINC000902468186 634686067 /nfs/dbraw/zinc/68/60/67/634686067.db2.gz MNWBXYSCJWLVKL-IGHBBLSQSA-N 0 3 264.344 2.465 20 10 CECDHN C[C@@H]1[C@H](C)C[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000841692506 628922313 /nfs/dbraw/zinc/92/23/13/628922313.db2.gz RRWQGVNHONOLIZ-OZWUEAAUSA-N 0 3 277.364 2.294 20 10 CECDHN C[C@@H]1[C@H](C)C[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000841692506 628922317 /nfs/dbraw/zinc/92/23/17/628922317.db2.gz RRWQGVNHONOLIZ-OZWUEAAUSA-N 0 3 277.364 2.294 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H](C)C(=O)NC(C)C ZINC000840974521 628974194 /nfs/dbraw/zinc/97/41/94/628974194.db2.gz JZCTYPCLFKWSIH-CYBMUJFWSA-N 0 3 277.412 2.064 20 10 CECDHN COc1ccc(C[N@H+](C)CCCCCO)c([O-])c1OC ZINC000894113691 629138051 /nfs/dbraw/zinc/13/80/51/629138051.db2.gz WIDPRCFKEXUAHH-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN COc1ccc(C[N@@H+](C)CCCCCO)c([O-])c1OC ZINC000894113691 629138055 /nfs/dbraw/zinc/13/80/55/629138055.db2.gz WIDPRCFKEXUAHH-UHFFFAOYSA-N 0 3 283.368 2.004 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@H]2CC(C)=NO2)c1[O-] ZINC000895302855 630095219 /nfs/dbraw/zinc/09/52/19/630095219.db2.gz CGIIDBLVAFMRHT-LLVKDONJSA-N 0 3 284.743 2.309 20 10 CECDHN COc1cc(Cl)cc(CNC[C@H]2CC(C)=NO2)c1O ZINC000895302855 630095223 /nfs/dbraw/zinc/09/52/23/630095223.db2.gz CGIIDBLVAFMRHT-LLVKDONJSA-N 0 3 284.743 2.309 20 10 CECDHN CCCOc1ccc(CN[C@H]2C(=O)NCC2(C)C)cc1C ZINC000895326747 630113541 /nfs/dbraw/zinc/11/35/41/630113541.db2.gz ZXUGKKGKXYINKE-HNNXBMFYSA-N 0 3 290.407 2.398 20 10 CECDHN COc1cc(C)cc(CN[C@@H](C)[C@@H](O)C(F)(F)F)c1O ZINC000895445708 630194404 /nfs/dbraw/zinc/19/44/04/630194404.db2.gz VVFGARGLGGIPIC-QPUJVOFHSA-N 0 3 293.285 2.111 20 10 CECDHN OC[C@@]1(C(F)(F)F)CCN(Cc2cc(F)ccc2O)C1 ZINC000895835396 630371835 /nfs/dbraw/zinc/37/18/35/630371835.db2.gz CFGVAVHXYJEGNI-GFCCVEGCSA-N 0 3 293.260 2.278 20 10 CECDHN CO[C@]1(C[NH2+]Cc2c(C)cccc2[O-])CCSC1 ZINC000896573244 630601701 /nfs/dbraw/zinc/60/17/01/630601701.db2.gz LKRFHGSEVSXJLD-AWEZNQCLSA-N 0 3 267.394 2.312 20 10 CECDHN Cc1ccc(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c([O-])c1 ZINC000897020389 630873423 /nfs/dbraw/zinc/87/34/23/630873423.db2.gz VBLSTANJMHXSQV-CQSZACIVSA-N 0 3 290.363 2.021 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)[C@H](C)O)c([O-])c1 ZINC000824921745 635526408 /nfs/dbraw/zinc/52/64/08/635526408.db2.gz PQVHBLCLROEXSJ-GXFFZTMASA-N 0 3 253.342 2.040 20 10 CECDHN CCCNC(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000035134163 631772193 /nfs/dbraw/zinc/77/21/93/631772193.db2.gz HNEQUGQUOSULPI-UHFFFAOYSA-N 0 3 289.423 2.293 20 10 CECDHN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccc3[O-])[C@H]2C1 ZINC000808445184 631964256 /nfs/dbraw/zinc/96/42/56/631964256.db2.gz AIIWYUARLCKPMM-JYJNAYRXSA-N 0 3 288.391 2.129 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000808689170 632000794 /nfs/dbraw/zinc/00/07/94/632000794.db2.gz ZLTFJSLXCLUFBV-KOLCDFICSA-N 0 3 282.771 2.235 20 10 CECDHN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000809691955 632128447 /nfs/dbraw/zinc/12/84/47/632128447.db2.gz USBGSBHUGZHZGV-CQSZACIVSA-N 0 3 292.379 2.493 20 10 CECDHN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000809691955 632128452 /nfs/dbraw/zinc/12/84/52/632128452.db2.gz USBGSBHUGZHZGV-CQSZACIVSA-N 0 3 292.379 2.493 20 10 CECDHN CC[C@H]([NH2+]CCN1CCCOCC1)c1ccccc1[O-] ZINC000809751940 632140989 /nfs/dbraw/zinc/14/09/89/632140989.db2.gz YSXQXCGRTGQJTK-HNNXBMFYSA-N 0 3 278.396 2.155 20 10 CECDHN COc1ccc(O)c([C@@H](C)NCc2cnn3c2CCC3)c1 ZINC000825934102 635735037 /nfs/dbraw/zinc/73/50/37/635735037.db2.gz HCHWRHRYLOCULX-LLVKDONJSA-N 0 3 287.363 2.394 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188836 632157725 /nfs/dbraw/zinc/15/77/25/632157725.db2.gz MXZHIUGLPBOUNY-BLLLJJGKSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188836 632157728 /nfs/dbraw/zinc/15/77/28/632157728.db2.gz MXZHIUGLPBOUNY-BLLLJJGKSA-N 0 3 289.375 2.440 20 10 CECDHN CCC[N@H+](CC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000816617162 633451085 /nfs/dbraw/zinc/45/10/85/633451085.db2.gz PTCMGMRHBOEDLY-UHFFFAOYSA-N 0 3 272.348 2.243 20 10 CECDHN CCC[N@@H+](CC(N)=O)Cc1ccc2ccccc2c1[O-] ZINC000816617162 633451088 /nfs/dbraw/zinc/45/10/88/633451088.db2.gz PTCMGMRHBOEDLY-UHFFFAOYSA-N 0 3 272.348 2.243 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)N1C ZINC000816653609 633457944 /nfs/dbraw/zinc/45/79/44/633457944.db2.gz ANKODIPPHOXTGO-BETUJISGSA-N 0 3 279.403 2.416 20 10 CECDHN CCOc1cccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817413145 633652441 /nfs/dbraw/zinc/65/24/41/633652441.db2.gz USJZTTXQUZTGMT-QWHCGFSZSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1cccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817413145 633652445 /nfs/dbraw/zinc/65/24/45/633652445.db2.gz USJZTTXQUZTGMT-QWHCGFSZSA-N 0 3 279.380 2.241 20 10 CECDHN CCCN1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000817589902 633703605 /nfs/dbraw/zinc/70/36/05/633703605.db2.gz RELKNDQVEJPLDC-GXTWGEPZSA-N 0 3 288.391 2.228 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cnccc1N ZINC000817896525 633757893 /nfs/dbraw/zinc/75/78/93/633757893.db2.gz JESNOMIGMDFOMI-LBPRGKRZSA-N 0 3 270.380 2.411 20 10 CECDHN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccc(F)cc1[O-] ZINC000817969037 633812430 /nfs/dbraw/zinc/81/24/30/633812430.db2.gz QGVQPWKLNJIEFD-GBIKHYSHSA-N 0 3 252.333 2.180 20 10 CECDHN C[C@H]([NH2+]CC1(C2(O)CCOCC2)CC1)c1ccccc1[O-] ZINC000903349137 635075712 /nfs/dbraw/zinc/07/57/12/635075712.db2.gz CWHMZOODUNRMRT-ZDUSSCGKSA-N 0 3 291.391 2.365 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccccc1[O-] ZINC000824564303 635452714 /nfs/dbraw/zinc/45/27/14/635452714.db2.gz IKGCEUZATPBFRM-HOCLYGCPSA-N 0 3 292.423 2.280 20 10 CECDHN COC[C@@]1(C)CC[N@H+](Cc2c([O-])cccc2OC)C1 ZINC000824577044 635455639 /nfs/dbraw/zinc/45/56/39/635455639.db2.gz YTQJFKSBUCLGJA-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN COC[C@@]1(C)CC[N@@H+](Cc2c([O-])cccc2OC)C1 ZINC000824577044 635455643 /nfs/dbraw/zinc/45/56/43/635455643.db2.gz YTQJFKSBUCLGJA-HNNXBMFYSA-N 0 3 265.353 2.259 20 10 CECDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000824636263 635467107 /nfs/dbraw/zinc/46/71/07/635467107.db2.gz NNMIDFDFTSCGLF-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000824636263 635467110 /nfs/dbraw/zinc/46/71/10/635467110.db2.gz NNMIDFDFTSCGLF-MFKMUULPSA-N 0 3 253.317 2.124 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000824845093 635509184 /nfs/dbraw/zinc/50/91/84/635509184.db2.gz HOMWBWCCNVISTP-HOCLYGCPSA-N 0 3 261.365 2.279 20 10 CECDHN CCN1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])CC1=O ZINC000824887269 635518025 /nfs/dbraw/zinc/51/80/25/635518025.db2.gz SZLMJOOVBDFXKT-LBPRGKRZSA-N 0 3 282.771 2.064 20 10 CECDHN Cc1ccc(O)c(CNC(=O)CN(C)CC(C)(C)C)c1 ZINC000824903973 635521742 /nfs/dbraw/zinc/52/17/42/635521742.db2.gz FZWPHXLWPYLCLB-UHFFFAOYSA-N 0 3 278.396 2.295 20 10 CECDHN CCOc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c([O-])c1 ZINC000827152047 636238086 /nfs/dbraw/zinc/23/80/86/636238086.db2.gz PQHZXBHNKWSJOA-RYUDHWBXSA-N 0 3 279.380 2.240 20 10 CECDHN CCN(CC)c1ccc(CN(C)C[C@](C)(O)C(C)=O)cc1 ZINC000827337205 636297942 /nfs/dbraw/zinc/29/79/42/636297942.db2.gz TZFDCULZPSBBDY-KRWDZBQOSA-N 0 3 292.423 2.305 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN(C)C(C)(C)C)cc1 ZINC000830544924 637099534 /nfs/dbraw/zinc/09/95/34/637099534.db2.gz AHGQVRZMJALBFJ-UHFFFAOYSA-N 0 3 277.412 2.099 20 10 CECDHN CC1(C)[NH2+]CC[C@H]1NCc1cccc(Br)c1[O-] ZINC000841088365 637704244 /nfs/dbraw/zinc/70/42/44/637704244.db2.gz ZJNZWLVBBJPFMD-LLVKDONJSA-N 0 3 299.212 2.385 20 10 CECDHN CCO[C@@H]1COC[C@H]1[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834902846 637982919 /nfs/dbraw/zinc/98/29/19/637982919.db2.gz DJXLJJXOXZSQDA-XIDUGBJDSA-N 0 3 295.354 2.473 20 10 CECDHN Cc1cnc(CC[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000834908119 637984732 /nfs/dbraw/zinc/98/47/32/637984732.db2.gz HAASDHJDDIFJNS-GFCCVEGCSA-N 0 3 257.337 2.384 20 10 CECDHN CC[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C)cc1[O-] ZINC000834907811 637984851 /nfs/dbraw/zinc/98/48/51/637984851.db2.gz CVBYVDLLCXIJSM-BBRMVZONSA-N 0 3 276.380 2.410 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)c([O-])c1 ZINC000834910394 637986131 /nfs/dbraw/zinc/98/61/31/637986131.db2.gz WTMYTROICJGWRQ-NHYWBVRUSA-N 0 3 262.353 2.020 20 10 CECDHN COCC(COC)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835055687 638041813 /nfs/dbraw/zinc/04/18/13/638041813.db2.gz XOFHUQFKIKXBNO-AATRIKPKSA-N 0 3 278.396 2.017 20 10 CECDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000876739060 650414535 /nfs/dbraw/zinc/41/45/35/650414535.db2.gz BWHHLHONAYGLCM-CQSZACIVSA-N 0 3 295.402 2.271 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876782184 650428890 /nfs/dbraw/zinc/42/88/90/650428890.db2.gz NBYMTYQQEFERIC-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876782184 650428893 /nfs/dbraw/zinc/42/88/93/650428893.db2.gz NBYMTYQQEFERIC-HNNXBMFYSA-N 0 3 263.337 2.086 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1ccccc1[O-] ZINC000156382689 639348308 /nfs/dbraw/zinc/34/83/08/639348308.db2.gz RAMRENSWCTXHIL-WCQYABFASA-N 0 3 285.409 2.256 20 10 CECDHN Cc1cc([O-])c(CN(C)CC[NH+](C)C)c(Cl)c1 ZINC000840945842 639596582 /nfs/dbraw/zinc/59/65/82/639596582.db2.gz CQTZHPGTCZYELF-UHFFFAOYSA-N 0 3 256.777 2.347 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC(F)(F)[C@@H]1O ZINC000840971041 639604418 /nfs/dbraw/zinc/60/44/18/639604418.db2.gz FHGORQIYYBQBGH-CMPLNLGQSA-N 0 3 275.270 2.170 20 10 CECDHN CC(C)NC(=O)[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000840974265 639606289 /nfs/dbraw/zinc/60/62/89/639606289.db2.gz DAMJFILECDFOGU-UZYOAWRESA-N 0 3 289.423 2.269 20 10 CECDHN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000840978547 639608259 /nfs/dbraw/zinc/60/82/59/639608259.db2.gz OIMYYEWHCWHKJV-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000840978547 639608262 /nfs/dbraw/zinc/60/82/62/639608262.db2.gz OIMYYEWHCWHKJV-QWRGUYRKSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@H]1CC[NH2+]C[C@@H]1NCc1cccc(Cl)c1[O-] ZINC000841059270 639636946 /nfs/dbraw/zinc/63/69/46/639636946.db2.gz OYQJRYCULCYWPR-CABZTGNLSA-N 0 3 254.761 2.133 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])CCN1 ZINC000841062838 639638506 /nfs/dbraw/zinc/63/85/06/639638506.db2.gz YHLORBPXJAURFS-LDYMZIIASA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])CC[NH2+]1 ZINC000841062838 639638511 /nfs/dbraw/zinc/63/85/11/639638511.db2.gz YHLORBPXJAURFS-LDYMZIIASA-N 0 3 272.751 2.415 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CN1CCCC1)c1ccc(Cl)cc1[O-] ZINC000841744517 639855521 /nfs/dbraw/zinc/85/55/21/639855521.db2.gz IHVAKDHUHVLCOP-DGCLKSJQSA-N 0 3 298.814 2.153 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000877014829 650532105 /nfs/dbraw/zinc/53/21/05/650532105.db2.gz SDJGHMSBBSSPID-HNNXBMFYSA-N 0 3 271.360 2.394 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](CO)Cc2ccccc2)c([O-])c1 ZINC000877036736 650542213 /nfs/dbraw/zinc/54/22/13/650542213.db2.gz ICEZCZHWKKXMLU-MRXNPFEDSA-N 0 3 271.360 2.394 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@@H]2C[NH3+])c1[O-] ZINC000843347180 640398575 /nfs/dbraw/zinc/39/85/75/640398575.db2.gz BTBOGMVDMOMTMU-CYBMUJFWSA-N 0 3 280.343 2.047 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1ccccc1[O-] ZINC000844313055 640673460 /nfs/dbraw/zinc/67/34/60/640673460.db2.gz QKKDUXIMILIBRR-JQWIXIFHSA-N 0 3 276.336 2.026 20 10 CECDHN CC[C@@H](C(=O)NCc1cc(Cl)ccc1O)N(C)C ZINC000846475812 641312357 /nfs/dbraw/zinc/31/23/57/641312357.db2.gz JYZDJQVDTDKXPH-NSHDSACASA-N 0 3 270.760 2.002 20 10 CECDHN CCOC(=O)[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877323473 650676298 /nfs/dbraw/zinc/67/62/98/650676298.db2.gz PHEITDSTJSQNEF-RYUDHWBXSA-N 0 3 265.353 2.378 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000877430220 650716557 /nfs/dbraw/zinc/71/65/57/650716557.db2.gz BPQDRXIAYQPHDH-UHFFFAOYSA-N 0 3 286.379 2.204 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848562232 642055037 /nfs/dbraw/zinc/05/50/37/642055037.db2.gz BNUWSBBYQJDHMQ-AAEUAGOBSA-N 0 3 286.379 2.119 20 10 CECDHN [NH3+]C[C@H](NCc1c([O-])cccc1Cl)C(F)(F)F ZINC000848715650 642102985 /nfs/dbraw/zinc/10/29/85/642102985.db2.gz IAVZZTVSXNKFLH-VIFPVBQESA-N 0 3 268.666 2.025 20 10 CECDHN Cc1c(CN(C)Cc2ccc(C)cc2O)cnn1C ZINC000877485777 650744589 /nfs/dbraw/zinc/74/45/89/650744589.db2.gz GRSRQZPQOTZIRA-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1ccnn1CC1CC1 ZINC000850113612 642584557 /nfs/dbraw/zinc/58/45/57/642584557.db2.gz OKIPCPAKYNRAJK-UHFFFAOYSA-N 0 3 257.337 2.289 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877530328 650770645 /nfs/dbraw/zinc/77/06/45/650770645.db2.gz SHHJZONRMVCSGY-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877530328 650770647 /nfs/dbraw/zinc/77/06/47/650770647.db2.gz SHHJZONRMVCSGY-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN COC(=O)N(C)CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000850548537 642749695 /nfs/dbraw/zinc/74/96/95/642749695.db2.gz UVCUXHXHNYTAJS-KOLCDFICSA-N 0 3 296.342 2.367 20 10 CECDHN Cc1cccc(O)c1CN1CCO[C@]2(CCSC2)C1 ZINC000877605297 650810350 /nfs/dbraw/zinc/81/03/50/650810350.db2.gz YYEUUUZLFCUUBW-OAHLLOKOSA-N 0 3 279.405 2.409 20 10 CECDHN CS(=O)(=O)C1CCC(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000922419308 643067812 /nfs/dbraw/zinc/06/78/12/643067812.db2.gz JSGBRBUMVBKINV-UHFFFAOYSA-N 0 3 297.420 2.085 20 10 CECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000877666807 650841701 /nfs/dbraw/zinc/84/17/01/650841701.db2.gz OBUDPJSUPKIBEY-NHYWBVRUSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000877666807 650841704 /nfs/dbraw/zinc/84/17/04/650841704.db2.gz OBUDPJSUPKIBEY-NHYWBVRUSA-N 0 3 263.337 2.023 20 10 CECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877667228 650841967 /nfs/dbraw/zinc/84/19/67/650841967.db2.gz USMJBYOFDVWOPW-LRDDRELGSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1C ZINC000877667228 650841985 /nfs/dbraw/zinc/84/19/85/650841985.db2.gz USMJBYOFDVWOPW-LRDDRELGSA-N 0 3 277.364 2.332 20 10 CECDHN CC[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877691722 650852675 /nfs/dbraw/zinc/85/26/75/650852675.db2.gz UMHBSZAHRJJEAG-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN CC[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000877691722 650852678 /nfs/dbraw/zinc/85/26/78/650852678.db2.gz UMHBSZAHRJJEAG-CQSZACIVSA-N 0 3 253.317 2.268 20 10 CECDHN COC(=O)C[C@@](C)([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000877707591 650863781 /nfs/dbraw/zinc/86/37/81/650863781.db2.gz XKHIVCWYVRXSAT-OAHLLOKOSA-N 0 3 281.327 2.353 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877752726 650896317 /nfs/dbraw/zinc/89/63/17/650896317.db2.gz JDARHPRBHSDFIG-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877752726 650896319 /nfs/dbraw/zinc/89/63/19/650896319.db2.gz JDARHPRBHSDFIG-ZDUSSCGKSA-N 0 3 279.380 2.384 20 10 CECDHN C[C@@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000877755951 650899423 /nfs/dbraw/zinc/89/94/23/650899423.db2.gz URGYJYUCXKWVKR-UPJWGTAASA-N 0 3 297.420 2.399 20 10 CECDHN CCOC(=O)[C@H](C)C1CN(Cc2cc(C)ccc2O)C1 ZINC000877829357 650924286 /nfs/dbraw/zinc/92/42/86/650924286.db2.gz RKLUIUXBPSCYND-GFCCVEGCSA-N 0 3 277.364 2.332 20 10 CECDHN CCOC(=O)[C@@H](C)C1CN(Cc2cccc(C)c2O)C1 ZINC000877830503 650925765 /nfs/dbraw/zinc/92/57/65/650925765.db2.gz MDWZZKRFGTXXHO-LBPRGKRZSA-N 0 3 277.364 2.332 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)CC(F)(F)F)c([O-])c1 ZINC000756993442 644717080 /nfs/dbraw/zinc/71/70/80/644717080.db2.gz AQGKRYQIJUEUJT-SNVBAGLBSA-N 0 3 293.285 2.194 20 10 CECDHN C[C@H](Cn1ccnc1)NCc1cc(F)c(N(C)C)cc1F ZINC000858093562 645059301 /nfs/dbraw/zinc/05/93/01/645059301.db2.gz BHOXURUHGYHBQT-LLVKDONJSA-N 0 3 294.349 2.406 20 10 CECDHN CC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000768437837 646122124 /nfs/dbraw/zinc/12/21/24/646122124.db2.gz KFQFIQULKVHQDS-CQSZACIVSA-N 0 3 263.337 2.050 20 10 CECDHN COc1cccc(O)c1CN(C)C[C@H]1CCCCO1 ZINC000769032779 646194535 /nfs/dbraw/zinc/19/45/35/646194535.db2.gz GCSACLRMEXTMKA-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]1CC[C@H](C)N1CC(=O)N(C)Cc1ccccc1O ZINC000769281468 646235739 /nfs/dbraw/zinc/23/57/39/646235739.db2.gz DJJBKWJCIIGVAH-STQMWFEESA-N 0 3 276.380 2.223 20 10 CECDHN CCN1CCN(Cc2ccc(N(C)C)c(F)c2)C[C@H]1C ZINC000769381418 646256217 /nfs/dbraw/zinc/25/62/17/646256217.db2.gz OFVKSWACXIMHOA-CYBMUJFWSA-N 0 3 279.403 2.418 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000769710560 646305195 /nfs/dbraw/zinc/30/51/95/646305195.db2.gz NCEJNOWWMOYAQI-MNOVXSKESA-N 0 3 251.326 2.058 20 10 CECDHN CCN(C)c1ccc(CN(CC(N)=O)C(C)(C)C)cc1 ZINC000773765400 646774250 /nfs/dbraw/zinc/77/42/50/646774250.db2.gz JBVIVULDWLSGJG-UHFFFAOYSA-N 0 3 277.412 2.229 20 10 CECDHN CCN(C)c1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1 ZINC000773781714 646775473 /nfs/dbraw/zinc/77/54/73/646775473.db2.gz JNYILAPEKUFXIZ-CQSZACIVSA-N 0 3 277.412 2.132 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)COc1ccccc1)c1ccccc1[O-] ZINC000775131817 646926000 /nfs/dbraw/zinc/92/60/00/646926000.db2.gz WKFMYZQGNFPONS-KGLIPLIRSA-N 0 3 287.359 2.483 20 10 CECDHN COC1(CO)CC[NH+](Cc2cc(Cl)cc(C)c2[O-])CC1 ZINC000775205540 646930017 /nfs/dbraw/zinc/93/00/17/646930017.db2.gz ZNVLMSQUQGTPAL-UHFFFAOYSA-N 0 3 299.798 2.327 20 10 CECDHN CC[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1ccccc1[O-] ZINC000775551295 646964786 /nfs/dbraw/zinc/96/47/86/646964786.db2.gz LZNMFBUBJPAWQW-HUUCEWRRSA-N 0 3 279.380 2.220 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000775586847 646970038 /nfs/dbraw/zinc/97/00/38/646970038.db2.gz PRTAFHCSDOPOCE-ONGXEEELSA-N 0 3 280.343 2.148 20 10 CECDHN C[C@H]1[C@H](C)[N@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983272 647012919 /nfs/dbraw/zinc/01/29/19/647012919.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 0 3 252.333 2.056 20 10 CECDHN C[C@H]1[C@H](C)[N@@H+](Cc2cccc(F)c2[O-])CCN1C ZINC000775983272 647012921 /nfs/dbraw/zinc/01/29/21/647012921.db2.gz BZEZUVMFZCQNKK-QWRGUYRKSA-N 0 3 252.333 2.056 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000776220360 647038564 /nfs/dbraw/zinc/03/85/64/647038564.db2.gz WJXPZFGRSFFJHO-DGCLKSJQSA-N 0 3 265.353 2.306 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccccc1[O-] ZINC000777725559 647170178 /nfs/dbraw/zinc/17/01/78/647170178.db2.gz URGYJYUCXKWVKR-XQQFMLRXSA-N 0 3 297.420 2.399 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000778208362 647210421 /nfs/dbraw/zinc/21/04/21/647210421.db2.gz KHZKTKBGKYABIP-NSHDSACASA-N 0 3 265.353 2.448 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000778216497 647211511 /nfs/dbraw/zinc/21/15/11/647211511.db2.gz OSOQNJZAKWYOBM-WCQYABFASA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000779008774 647281035 /nfs/dbraw/zinc/28/10/35/647281035.db2.gz XWBXOUTXUZQJNF-AWEZNQCLSA-N 0 3 257.337 2.426 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000779008774 647281037 /nfs/dbraw/zinc/28/10/37/647281037.db2.gz XWBXOUTXUZQJNF-AWEZNQCLSA-N 0 3 257.337 2.426 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000779093693 647287362 /nfs/dbraw/zinc/28/73/62/647287362.db2.gz XEWKMOUBRRJQSF-NSHDSACASA-N 0 3 279.311 2.065 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)CCNC(=O)N(C)C)c1[O-] ZINC000779432618 647323964 /nfs/dbraw/zinc/32/39/64/647323964.db2.gz XJGYPJRPGSZCSO-UHFFFAOYSA-N 0 3 299.802 2.057 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)CCNC(=O)N(C)C)c1[O-] ZINC000779432618 647323967 /nfs/dbraw/zinc/32/39/67/647323967.db2.gz XJGYPJRPGSZCSO-UHFFFAOYSA-N 0 3 299.802 2.057 20 10 CECDHN Cc1cc(Cl)cc(CN(C)CCNC(=O)N(C)C)c1O ZINC000779432618 647323970 /nfs/dbraw/zinc/32/39/70/647323970.db2.gz XJGYPJRPGSZCSO-UHFFFAOYSA-N 0 3 299.802 2.057 20 10 CECDHN CN(C)c1cc(F)c(CNCC[C@@H](O)C(F)F)cc1F ZINC000865687643 647422947 /nfs/dbraw/zinc/42/29/47/647422947.db2.gz ISUBOZMELZKAHW-GFCCVEGCSA-N 0 3 294.292 2.137 20 10 CECDHN CCN(CC)c1ccc(CN(C)CCNC(C)=O)cc1 ZINC000781625918 647546679 /nfs/dbraw/zinc/54/66/79/647546679.db2.gz MNIFUYYPCMTRLQ-UHFFFAOYSA-N 0 3 277.412 2.101 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[NH2+]CCC2(C)C)c1[O-] ZINC000866699834 647873077 /nfs/dbraw/zinc/87/30/77/647873077.db2.gz PAIRGGSJTRZCTE-UHFFFAOYSA-N 0 3 294.370 2.308 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000784667833 647873912 /nfs/dbraw/zinc/87/39/12/647873912.db2.gz MDOWUUKXESGVFV-NHYWBVRUSA-N 0 3 265.353 2.258 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000784667833 647873913 /nfs/dbraw/zinc/87/39/13/647873913.db2.gz MDOWUUKXESGVFV-NHYWBVRUSA-N 0 3 265.353 2.258 20 10 CECDHN CCCn1cc(C[NH2+]Cc2ccc(OC)cc2[O-])cn1 ZINC000793386082 648749403 /nfs/dbraw/zinc/74/94/03/648749403.db2.gz IUWCPFFNEMXQAY-UHFFFAOYSA-N 0 3 275.352 2.297 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000793385610 648749442 /nfs/dbraw/zinc/74/94/42/648749442.db2.gz CYEQDGRZTACBFA-UHFFFAOYSA-N 0 3 281.352 2.080 20 10 CECDHN O=C1OCC[C@H]1CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000872111728 649281007 /nfs/dbraw/zinc/28/10/07/649281007.db2.gz GDWXRHZJCYWRCJ-CHWSQXEVSA-N 0 3 275.348 2.312 20 10 CECDHN CC(C)S(=O)(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648430 651334920 /nfs/dbraw/zinc/33/49/20/651334920.db2.gz ONYHWCMSFFYMOF-GFCCVEGCSA-N 0 3 285.409 2.256 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)c1ccccc1[O-] ZINC000879648830 651335315 /nfs/dbraw/zinc/33/53/15/651335315.db2.gz BIDHWXKDJJIONL-RJZRQDKASA-N 0 3 288.391 2.490 20 10 CECDHN CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649035 651335448 /nfs/dbraw/zinc/33/54/48/651335448.db2.gz JURGEQLKMRCNIW-UTUOFQBUSA-N 0 3 264.369 2.346 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1[O-] ZINC000879650409 651335726 /nfs/dbraw/zinc/33/57/26/651335726.db2.gz ZYAHQMPHQMNQQS-KGLIPLIRSA-N 0 3 293.407 2.489 20 10 CECDHN C[C@H]([NH2+]CC(=O)N1CCC(C)CC1)c1ccccc1[O-] ZINC000879652025 651336076 /nfs/dbraw/zinc/33/60/76/651336076.db2.gz UIEAFOHSQYRUNF-ZDUSSCGKSA-N 0 3 276.380 2.301 20 10 CECDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)[C@H]1CCCOC1 ZINC000883352419 652438691 /nfs/dbraw/zinc/43/86/91/652438691.db2.gz AMWLMRLRSBAQMQ-AAEUAGOBSA-N 0 3 293.363 2.416 20 10 CECDHN CN(CC[NH+](C)C)Cc1cccc(Br)c1[O-] ZINC000132736647 652551761 /nfs/dbraw/zinc/55/17/61/652551761.db2.gz IFBXWASBXRTJQY-UHFFFAOYSA-N 0 3 287.201 2.148 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134235752 652795766 /nfs/dbraw/zinc/79/57/66/652795766.db2.gz KWUJBQGCZYUZSB-UHFFFAOYSA-N 0 3 273.288 2.116 20 10 CECDHN CCNC(=O)OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140058712 802551079 /nfs/dbraw/zinc/55/10/79/802551079.db2.gz IXHZZMGZTZSHKN-UHFFFAOYSA-N 0 3 296.342 2.242 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O)c([O-])c1 ZINC000723880176 802961013 /nfs/dbraw/zinc/96/10/13/802961013.db2.gz YWVWMSDLVKSDNN-GFCCVEGCSA-N 0 3 299.436 2.422 20 10 CECDHN CC1(CC[NH2+][C@@H]2CCc3cccc([O-])c32)OCCO1 ZINC000716044961 815018044 /nfs/dbraw/zinc/01/80/44/815018044.db2.gz OVICDUYKGQRABI-GFCCVEGCSA-N 0 3 263.337 2.122 20 10 CECDHN CC[C@@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000037152345 815018179 /nfs/dbraw/zinc/01/81/79/815018179.db2.gz HYIZDNUBKFDPQW-ORHYLEIMSA-N 0 3 276.380 2.477 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712701595 805415060 /nfs/dbraw/zinc/41/50/60/805415060.db2.gz NBPJIMVZYLPLLN-ZDUSSCGKSA-N 0 3 263.337 2.168 20 10 CECDHN C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001232267689 807240106 /nfs/dbraw/zinc/24/01/06/807240106.db2.gz KHNBQNSNFGFDQF-PHIMTYICSA-N 0 3 282.771 2.030 20 10 CECDHN C[N@@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)c([O-])cc1O ZINC001232267689 807240109 /nfs/dbraw/zinc/24/01/09/807240109.db2.gz KHNBQNSNFGFDQF-PHIMTYICSA-N 0 3 282.771 2.030 20 10 CECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001236784443 808165567 /nfs/dbraw/zinc/16/55/67/808165567.db2.gz WSYNCOUUHIIJCD-UONOGXRCSA-N 0 3 267.344 2.249 20 10 CECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](F)CC2)c([O-])c1 ZINC001236784443 808165569 /nfs/dbraw/zinc/16/55/69/808165569.db2.gz WSYNCOUUHIIJCD-UONOGXRCSA-N 0 3 267.344 2.249 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487787 808220352 /nfs/dbraw/zinc/22/03/52/808220352.db2.gz NCTSWHQZIVGUFC-OLZOCXBDSA-N 0 3 277.364 2.474 20 10 CECDHN COC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237487787 808220359 /nfs/dbraw/zinc/22/03/59/808220359.db2.gz NCTSWHQZIVGUFC-OLZOCXBDSA-N 0 3 277.364 2.474 20 10 CECDHN [NH3+][C@@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@@H]1F ZINC001206197238 815639488 /nfs/dbraw/zinc/63/94/88/815639488.db2.gz HAXGCVLAWVXRIA-GXSJLCMTSA-N 0 3 290.741 2.446 20 10 CECDHN CCc1cccc(CN(C)[C@H](C)C[S@](C)=O)c1O ZINC000709309432 809959963 /nfs/dbraw/zinc/95/99/63/809959963.db2.gz UXZMZKNDDCWIPR-ZMZPIMSZSA-N 0 3 269.410 2.153 20 10 CECDHN COC[C@H](CC[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000710600978 810001662 /nfs/dbraw/zinc/00/16/62/810001662.db2.gz GJDQVOMEHJCDQS-STQMWFEESA-N 0 3 265.353 2.021 20 10 CECDHN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(F)ccc1[O-] ZINC000723547438 811022358 /nfs/dbraw/zinc/02/23/58/811022358.db2.gz HBPHMDKIZBQWIP-WDEREUQCSA-N 0 3 280.343 2.050 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000397661924 813631476 /nfs/dbraw/zinc/63/14/76/813631476.db2.gz JHZWQRSNUPLZSA-UHFFFAOYSA-N 0 3 285.771 2.449 20 10 CECDHN COC(CN(C)Cc1ccc(N(C)C)c(C)c1)OC ZINC001139672891 814632166 /nfs/dbraw/zinc/63/21/66/814632166.db2.gz LPXBYBYKMPIVGU-UHFFFAOYSA-N 0 3 266.385 2.112 20 10 CECDHN C[C@@H]([NH2+]CC[C@@H]1CCCS1(=O)=O)c1ccccc1[O-] ZINC000714383940 814903549 /nfs/dbraw/zinc/90/35/49/814903549.db2.gz XBBBYUWWSPJBDU-NEPJUHHUSA-N 0 3 283.393 2.010 20 10 CECDHN COC(=O)CCCC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001173441302 815718374 /nfs/dbraw/zinc/71/83/74/815718374.db2.gz NKKWVZNLDDKOGO-NSHDSACASA-N 0 3 281.352 2.309 20 10 CECDHN CN1CC2(C1)CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001138222048 815750483 /nfs/dbraw/zinc/75/04/83/815750483.db2.gz DLCDTJIIYBCFSE-UHFFFAOYSA-N 0 3 285.435 2.424 20 10 CECDHN COC(=O)CC1CN(Cc2c(C)n(C)c3ccccc23)C1 ZINC001138257080 815756719 /nfs/dbraw/zinc/75/67/19/815756719.db2.gz VAGWAADISYTNSU-UHFFFAOYSA-N 0 3 286.375 2.482 20 10 CECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140058097 816181586 /nfs/dbraw/zinc/18/15/86/816181586.db2.gz SNKPMVFNJVSFGP-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC001140058097 816181592 /nfs/dbraw/zinc/18/15/92/816181592.db2.gz SNKPMVFNJVSFGP-ZWNOBZJWSA-N 0 3 253.317 2.124 20 10 CECDHN Cc1ccc(C)c(CN2CCc3c(cnn3C)C2)c1O ZINC001140184077 816205765 /nfs/dbraw/zinc/20/57/65/816205765.db2.gz LYKJTKYFMGEUAU-UHFFFAOYSA-N 0 3 271.364 2.301 20 10 CECDHN Fc1cc(N2CCOCC2)ccc1CN1C[C@@H]2C[C@@H]2C1 ZINC001140660582 816315131 /nfs/dbraw/zinc/31/51/31/816315131.db2.gz WYSHRIGENMTSHO-OKILXGFUSA-N 0 3 276.355 2.114 20 10 CECDHN Cc1ccc(C[NH+]2CCC(n3cnnc3)CC2)c([O-])c1 ZINC001140951132 816423259 /nfs/dbraw/zinc/42/32/59/816423259.db2.gz ZYBPUKWLEPZFCW-UHFFFAOYSA-N 0 3 272.352 2.129 20 10 CECDHN CCO[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140952313 816424294 /nfs/dbraw/zinc/42/42/94/816424294.db2.gz MQQBZDKNHFYUDF-OIISXLGYSA-N 0 3 291.391 2.469 20 10 CECDHN CCO[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])[C@@H]2CCCO[C@H]12 ZINC001140952313 816424295 /nfs/dbraw/zinc/42/42/95/816424295.db2.gz MQQBZDKNHFYUDF-OIISXLGYSA-N 0 3 291.391 2.469 20 10 CECDHN COc1cc([O-])c(C[N@H+](CCCO)C(C)C)c(OC)c1 ZINC001141028122 816449557 /nfs/dbraw/zinc/44/95/57/816449557.db2.gz BYHWCGBHYSWKBK-UHFFFAOYSA-N 0 3 283.368 2.002 20 10 CECDHN COc1cc([O-])c(C[N@@H+](CCCO)C(C)C)c(OC)c1 ZINC001141028122 816449564 /nfs/dbraw/zinc/44/95/64/816449564.db2.gz BYHWCGBHYSWKBK-UHFFFAOYSA-N 0 3 283.368 2.002 20 10 CECDHN COc1cc([O-])c(C[N@H+]2CC[C@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032398 816453141 /nfs/dbraw/zinc/45/31/41/816453141.db2.gz ANCNBGSBOKHKMZ-RYUDHWBXSA-N 0 3 295.379 2.409 20 10 CECDHN COc1cc([O-])c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c(OC)c1 ZINC001141032398 816453142 /nfs/dbraw/zinc/45/31/42/816453142.db2.gz ANCNBGSBOKHKMZ-RYUDHWBXSA-N 0 3 295.379 2.409 20 10 CECDHN CCOc1ccc(CN2CC(C)(COC)C2)c(O)c1 ZINC000839145700 816563550 /nfs/dbraw/zinc/56/35/50/816563550.db2.gz RRDITGASVHCVPW-UHFFFAOYSA-N 0 3 265.353 2.259 20 10 CECDHN COc1ccc(CN[C@@H](C)CC[S@](C)=O)cc1C ZINC000125440391 365675800 /nfs/dbraw/zinc/67/58/00/365675800.db2.gz KJKXJVQYPUQIOI-KPZWWZAWSA-N 0 3 269.410 2.250 20 10 CECDHN CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000038013799 361981883 /nfs/dbraw/zinc/98/18/83/361981883.db2.gz WBNQLECLHJQAIT-VXGBXAGGSA-N 0 3 264.369 2.348 20 10 CECDHN CCOc1ccc([O-])c(C[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000092970727 344209049 /nfs/dbraw/zinc/20/90/49/344209049.db2.gz BVTPPLOHSJYWIY-LBPRGKRZSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000093482922 344225403 /nfs/dbraw/zinc/22/54/03/344225403.db2.gz NTZMHZATWDNPCR-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000093482922 344225404 /nfs/dbraw/zinc/22/54/04/344225404.db2.gz NTZMHZATWDNPCR-YPMHNXCESA-N 0 3 265.353 2.136 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H](CCO)C(C)(C)C)c1 ZINC000231073218 344574351 /nfs/dbraw/zinc/57/43/51/344574351.db2.gz NEGOJULONZPKGB-AWEZNQCLSA-N 0 3 267.369 2.288 20 10 CECDHN Cc1nnsc1CN[C@@H]1CCc2cccc(O)c21 ZINC000297424944 282373530 /nfs/dbraw/zinc/37/35/30/282373530.db2.gz UXJTVGGXRBGMJP-SNVBAGLBSA-N 0 3 261.350 2.329 20 10 CECDHN CCOc1cccc(CN2CCCO[C@@H](C)C2)c1O ZINC000134159215 366292869 /nfs/dbraw/zinc/29/28/69/366292869.db2.gz FLNNXAHQNAQPFG-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000134159215 366292876 /nfs/dbraw/zinc/29/28/76/366292876.db2.gz FLNNXAHQNAQPFG-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1cccc(C[N@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000134159215 366292880 /nfs/dbraw/zinc/29/28/80/366292880.db2.gz FLNNXAHQNAQPFG-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN COc1ccc(O)c(CNCc2c(C)nn(C)c2C)c1 ZINC000078749256 363552958 /nfs/dbraw/zinc/55/29/58/363552958.db2.gz MGRLTCVMTIVDIO-UHFFFAOYSA-N 0 3 275.352 2.041 20 10 CECDHN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccccc1[O-] ZINC000020120631 361579834 /nfs/dbraw/zinc/57/98/34/361579834.db2.gz POWRSMWVUPNNKJ-CYBMUJFWSA-N 0 3 278.396 2.154 20 10 CECDHN [O-]c1ccccc1CN1CCC([NH+]2CCCC2)CC1 ZINC000179556262 368341883 /nfs/dbraw/zinc/34/18/83/368341883.db2.gz QKJWOFAUCVWBOT-UHFFFAOYSA-N 0 3 260.381 2.452 20 10 CECDHN CCOc1cccc(C[N@@H+]2CCC[C@@H]2CC(=O)OC)c1[O-] ZINC000179891222 368357343 /nfs/dbraw/zinc/35/73/43/368357343.db2.gz SMQGFBAAOGQFCL-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN CCOc1cccc(C[N@H+]2CCC[C@@H]2CC(=O)OC)c1[O-] ZINC000179891222 368357344 /nfs/dbraw/zinc/35/73/44/368357344.db2.gz SMQGFBAAOGQFCL-CYBMUJFWSA-N 0 3 293.363 2.318 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179913641 368358765 /nfs/dbraw/zinc/35/87/65/368358765.db2.gz YMNAKDYKHODXNX-FUNVUKJBSA-N 0 3 251.301 2.019 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179913641 368358767 /nfs/dbraw/zinc/35/87/67/368358767.db2.gz YMNAKDYKHODXNX-FUNVUKJBSA-N 0 3 251.301 2.019 20 10 CECDHN CCN(C)C(=O)CNCc1ccc(N2CCCCC2)cc1 ZINC000185188292 368763305 /nfs/dbraw/zinc/76/33/05/368763305.db2.gz XZSXMXFNEUXHLT-UHFFFAOYSA-N 0 3 289.423 2.245 20 10 CECDHN Cc1noc(CC[NH2+][C@@H](C)c2cc(F)ccc2[O-])n1 ZINC000185972724 368896478 /nfs/dbraw/zinc/89/64/78/368896478.db2.gz WXBUDZUZNLRNQL-QMMMGPOBSA-N 0 3 265.288 2.116 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000189346638 369503403 /nfs/dbraw/zinc/50/34/03/369503403.db2.gz YXXVVGSRVMLFET-HUUCEWRRSA-N 0 3 279.380 2.430 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246477615 370966779 /nfs/dbraw/zinc/96/67/79/370966779.db2.gz OSMDVLATOFAECT-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246477615 370966782 /nfs/dbraw/zinc/96/67/82/370966782.db2.gz OSMDVLATOFAECT-UKRRQHHQSA-N 0 3 279.405 2.407 20 10 CECDHN COc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000189951056 369581981 /nfs/dbraw/zinc/58/19/81/369581981.db2.gz PJGPTFHBFWIAQV-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3OCCC[C@H]3C1)OCO2 ZINC000247052913 371056526 /nfs/dbraw/zinc/05/65/26/371056526.db2.gz UIPHSDPSGPAAGP-SMDDNHRTSA-N 0 3 291.347 2.122 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3OCCC[C@H]3C1)OCO2 ZINC000247052913 371056532 /nfs/dbraw/zinc/05/65/32/371056532.db2.gz UIPHSDPSGPAAGP-SMDDNHRTSA-N 0 3 291.347 2.122 20 10 CECDHN Cc1cccc(CN2CCN([C@H]3CCSC3)CC2)c1O ZINC000362046136 372185813 /nfs/dbraw/zinc/18/58/13/372185813.db2.gz NEWIIFQORUAVPF-HNNXBMFYSA-N 0 3 292.448 2.324 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271261153 373184864 /nfs/dbraw/zinc/18/48/64/373184864.db2.gz IPYIJNQLLIDNJM-JQWIXIFHSA-N 0 3 275.270 2.280 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000271261153 373184878 /nfs/dbraw/zinc/18/48/78/373184878.db2.gz IPYIJNQLLIDNJM-JQWIXIFHSA-N 0 3 275.270 2.280 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000271315502 373186749 /nfs/dbraw/zinc/18/67/49/373186749.db2.gz XLSMQLXVARTJOZ-AAEUAGOBSA-N 0 3 265.353 2.448 20 10 CECDHN COc1cc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)cc1OC ZINC000271794265 373201448 /nfs/dbraw/zinc/20/14/48/373201448.db2.gz HQRSXLQFHNRNSX-PWSUYJOCSA-N 0 3 281.352 2.067 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)c([O-])c1C ZINC000273549018 373762064 /nfs/dbraw/zinc/76/20/64/373762064.db2.gz FOFRBQRRQREMBV-DGCLKSJQSA-N 0 3 274.368 2.340 20 10 CECDHN Cc1cccc(C[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000371425128 373877340 /nfs/dbraw/zinc/87/73/40/373877340.db2.gz RCQSJWPMAGRXDX-SNPRPXQTSA-N 0 3 288.391 2.319 20 10 CECDHN Cc1cccc(C[N@@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)c1[O-] ZINC000371425128 373877345 /nfs/dbraw/zinc/87/73/45/373877345.db2.gz RCQSJWPMAGRXDX-SNPRPXQTSA-N 0 3 288.391 2.319 20 10 CECDHN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890905 374636278 /nfs/dbraw/zinc/63/62/78/374636278.db2.gz FFRGXWZCBJFGMW-BXUZGUMPSA-N 0 3 292.354 2.022 20 10 CECDHN O=C1C[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890905 374636282 /nfs/dbraw/zinc/63/62/82/374636282.db2.gz FFRGXWZCBJFGMW-BXUZGUMPSA-N 0 3 292.354 2.022 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000374674047 374627125 /nfs/dbraw/zinc/62/71/25/374627125.db2.gz AHRYVVHMKYSFJA-XJKSGUPXSA-N 0 3 275.348 2.167 20 10 CECDHN COC(=O)[C@@]12CCC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000374674047 374627134 /nfs/dbraw/zinc/62/71/34/374627134.db2.gz AHRYVVHMKYSFJA-XJKSGUPXSA-N 0 3 275.348 2.167 20 10 CECDHN Cc1cc([O-])c(C[NH2+]CC2([S@](C)=O)CC2)cc1C ZINC000282344927 375463045 /nfs/dbraw/zinc/46/30/45/375463045.db2.gz MLARUGWDJCKZSK-SFHVURJKSA-N 0 3 267.394 2.010 20 10 CECDHN CCCCN(Cc1ccccc1O)CC1OCCO1 ZINC000282456406 375489950 /nfs/dbraw/zinc/48/99/50/375489950.db2.gz MGHUQHFTOKXSKL-UHFFFAOYSA-N 0 3 265.353 2.367 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000284142258 375817083 /nfs/dbraw/zinc/81/70/83/375817083.db2.gz OUXQRIKYEVZOCE-STQMWFEESA-N 0 3 276.380 2.280 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@]2(O)CCO[C@@H]2C)c([O-])c1 ZINC000285447657 375838932 /nfs/dbraw/zinc/83/89/32/375838932.db2.gz ZHXVNIJRWSBLMV-WOSRLPQWSA-N 0 3 279.380 2.200 20 10 CECDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])[C@@H](O)C(F)F ZINC000295128602 378042887 /nfs/dbraw/zinc/04/28/87/378042887.db2.gz XROMJWSRHATHKA-CMPLNLGQSA-N 0 3 259.296 2.195 20 10 CECDHN CCN(CC)c1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000296119941 378423136 /nfs/dbraw/zinc/42/31/36/378423136.db2.gz SZIBIGZCODMKCG-UHFFFAOYSA-N 0 3 275.396 2.030 20 10 CECDHN COc1cccc(C[N@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189941213 295295127 /nfs/dbraw/zinc/29/51/27/295295127.db2.gz WGQDZTOZMKYKIQ-UHFFFAOYSA-N 0 3 265.353 2.136 20 10 CECDHN COc1cccc(C[N@@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189941213 295295128 /nfs/dbraw/zinc/29/51/28/295295128.db2.gz WGQDZTOZMKYKIQ-UHFFFAOYSA-N 0 3 265.353 2.136 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](O)C(F)F ZINC000296551399 378571361 /nfs/dbraw/zinc/57/13/61/378571361.db2.gz RNSDKRSQFNXRKB-PEXQALLHSA-N 0 3 259.296 2.447 20 10 CECDHN COCCC1(C)CN(Cc2cc(F)ccc2O)C1 ZINC000297286293 378681033 /nfs/dbraw/zinc/68/10/33/378681033.db2.gz AOMWJGDAVZZHKK-UHFFFAOYSA-N 0 3 253.317 2.390 20 10 CECDHN Cc1cc(CN[C@](C)(C(N)=O)C(C)C)ccc1N(C)C ZINC000297829222 378689662 /nfs/dbraw/zinc/68/96/62/378689662.db2.gz ZOHLAZKKXRQNNQ-INIZCTEOSA-N 0 3 277.412 2.051 20 10 CECDHN CC(C)[C@H](C)N(C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000297744386 378689906 /nfs/dbraw/zinc/68/99/06/378689906.db2.gz DGRFOMRHCGCJNE-AWEZNQCLSA-N 0 3 291.439 2.345 20 10 CECDHN C[C@H](CN1CCCCC1)NC(=O)NCc1ccccc1O ZINC000299467894 379008362 /nfs/dbraw/zinc/00/83/62/379008362.db2.gz BYCWOZRMOJUODM-CYBMUJFWSA-N 0 3 291.395 2.066 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)[C@@H]2CCCO2)c([O-])c1 ZINC000527956745 379856811 /nfs/dbraw/zinc/85/68/11/379856811.db2.gz PMJBQZPGRMVPGS-CFVMTHIKSA-N 0 3 279.380 2.200 20 10 CECDHN Cc1ccc(O)c(CN2CC[C@](O)(C(F)(F)F)C2)c1 ZINC000093612117 394668583 /nfs/dbraw/zinc/66/85/83/394668583.db2.gz LYLKOBVKXLAHRB-GFCCVEGCSA-N 0 3 275.270 2.200 20 10 CECDHN CCCOc1ccc(C[NH2+][C@@]2(C)CCOC2)c([O-])c1 ZINC000120150767 394775972 /nfs/dbraw/zinc/77/59/72/394775972.db2.gz YHPZWCMYYGFZAB-HNNXBMFYSA-N 0 3 265.353 2.450 20 10 CECDHN [O-]c1cc2c(cc1C[NH2+]C[C@H]1CSCCS1)OCO2 ZINC000125228103 394842865 /nfs/dbraw/zinc/84/28/65/394842865.db2.gz BQALFBQRSMMLBP-JTQLQIEISA-N 0 3 299.417 2.059 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1[O-] ZINC000362241839 394850794 /nfs/dbraw/zinc/85/07/94/394850794.db2.gz ZKLCOCOLUFBLDF-HNNXBMFYSA-N 0 3 298.390 2.249 20 10 CECDHN CCCOc1ccc(CN(CC(N)=O)CC(C)C)c(O)c1 ZINC000132907436 394939395 /nfs/dbraw/zinc/93/93/95/394939395.db2.gz QQZIGKJHNGMOJN-UHFFFAOYSA-N 0 3 294.395 2.124 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1ccccc1[O-] ZINC000374282962 395078871 /nfs/dbraw/zinc/07/88/71/395078871.db2.gz KCOIFDHMTJSNGG-BNOWGMLFSA-N 0 3 274.364 2.011 20 10 CECDHN NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1ccccc1[O-] ZINC000374282962 395078873 /nfs/dbraw/zinc/07/88/73/395078873.db2.gz KCOIFDHMTJSNGG-BNOWGMLFSA-N 0 3 274.364 2.011 20 10 CECDHN CO[C@@]1(C)C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1(C)C ZINC000174137510 395120690 /nfs/dbraw/zinc/12/06/90/395120690.db2.gz ZUGLWJSAXKVUPF-HOCLYGCPSA-N 0 3 293.363 2.414 20 10 CECDHN CN(C)c1ccc(CN2CC([C@H]3CCOC3)C2)cc1 ZINC000376020726 395106838 /nfs/dbraw/zinc/10/68/38/395106838.db2.gz HMUYWBIECODUMY-AWEZNQCLSA-N 0 3 260.381 2.221 20 10 CECDHN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000183565293 395259373 /nfs/dbraw/zinc/25/93/73/395259373.db2.gz NAKMHBUUNRDXIB-NWDGAFQWSA-N 0 3 262.353 2.054 20 10 CECDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1ccccc1[O-] ZINC000183613952 395261081 /nfs/dbraw/zinc/26/10/81/395261081.db2.gz HFQRZEQSBQQIEK-NEPJUHHUSA-N 0 3 276.380 2.442 20 10 CECDHN CN(CC[NH2+][C@H]1CCc2cccc([O-])c21)CC(F)(F)F ZINC000297911657 395349807 /nfs/dbraw/zinc/34/98/07/395349807.db2.gz WRBBAELSPQDMRJ-NSHDSACASA-N 0 3 288.313 2.463 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](CC(C)C)N(C)C)c1 ZINC000020201876 171065958 /nfs/dbraw/zinc/06/59/58/171065958.db2.gz QNGZOFBMNMRIQQ-CQSZACIVSA-N 0 3 280.412 2.467 20 10 CECDHN COc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1[O-] ZINC000020206684 171071025 /nfs/dbraw/zinc/07/10/25/171071025.db2.gz BNZNDJYMDCJRCN-ZYHUDNBSSA-N 0 3 251.326 2.058 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000035628756 172308193 /nfs/dbraw/zinc/30/81/93/172308193.db2.gz AAZGADVOPWPRPZ-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN COC(=O)CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000037416900 173193802 /nfs/dbraw/zinc/19/38/02/173193802.db2.gz IBSPRCDUNNOARY-SNVBAGLBSA-N 0 3 267.325 2.005 20 10 CECDHN CC[C@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000155687895 261106215 /nfs/dbraw/zinc/10/62/15/261106215.db2.gz LEBVTBTZWHBWSI-ZBFHGGJFSA-N 0 3 291.439 2.069 20 10 CECDHN [O-]c1ccc(F)cc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000300415980 261199653 /nfs/dbraw/zinc/19/96/53/261199653.db2.gz BBPCVFZUAFWMDT-AWEZNQCLSA-N 0 3 264.344 2.201 20 10 CECDHN [O-]c1ccc(F)cc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000300415980 261199654 /nfs/dbraw/zinc/19/96/54/261199654.db2.gz BBPCVFZUAFWMDT-AWEZNQCLSA-N 0 3 264.344 2.201 20 10 CECDHN CCCNC(=O)CN[C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184881865 262032603 /nfs/dbraw/zinc/03/26/03/262032603.db2.gz KGLFZWVBQMHLSE-LBPRGKRZSA-N 0 3 290.407 2.448 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCOC2=O)c1 ZINC000185332627 262050809 /nfs/dbraw/zinc/05/08/09/262050809.db2.gz HZFBSQNFHJGWHY-GFCCVEGCSA-N 0 3 278.352 2.194 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CN2CCOCC2)c1 ZINC000185504724 262057185 /nfs/dbraw/zinc/05/71/85/262057185.db2.gz GQSGABZFUCWGEE-HUUCEWRRSA-N 0 3 292.423 2.320 20 10 CECDHN CCOc1cccc(CN2CCN(CC)C[C@@H]2C)c1O ZINC000289747133 263111942 /nfs/dbraw/zinc/11/19/42/263111942.db2.gz QLOJIVKIGBKBJM-ZDUSSCGKSA-N 0 3 278.396 2.317 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000363264241 267082550 /nfs/dbraw/zinc/08/25/50/267082550.db2.gz KHQJIEBPCGZFHH-BPLDGKMQSA-N 0 3 288.391 2.108 20 10 CECDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1C ZINC000363264241 267082551 /nfs/dbraw/zinc/08/25/51/267082551.db2.gz KHQJIEBPCGZFHH-BPLDGKMQSA-N 0 3 288.391 2.108 20 10 CECDHN CCOc1ccc(O)c(CN2CCOCC[C@@H]2C)c1 ZINC000367703892 267111154 /nfs/dbraw/zinc/11/11/54/267111154.db2.gz JPDBMLLOIDVVGF-LBPRGKRZSA-N 0 3 265.353 2.402 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000368331503 267163179 /nfs/dbraw/zinc/16/31/79/267163179.db2.gz KALPXDXSFBDPDC-QVHKTLOISA-N 0 3 288.391 2.361 20 10 CECDHN COC(=O)[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC1(C)C ZINC000368593355 267190106 /nfs/dbraw/zinc/19/01/06/267190106.db2.gz SNMZDGDYIZAIJR-LBPRGKRZSA-N 0 3 281.327 2.162 20 10 CECDHN COC(=O)[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC1(C)C ZINC000368593355 267190107 /nfs/dbraw/zinc/19/01/07/267190107.db2.gz SNMZDGDYIZAIJR-LBPRGKRZSA-N 0 3 281.327 2.162 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@]12CCCO2 ZINC000368698220 267198831 /nfs/dbraw/zinc/19/88/31/267198831.db2.gz JUSAUTXFDFNCHY-ARFHVFGLSA-N 0 3 295.354 2.348 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1C ZINC000368798224 267206662 /nfs/dbraw/zinc/20/66/62/267206662.db2.gz DXGDGBTWRHLTRI-AWEZNQCLSA-N 0 3 272.352 2.048 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](n3cncn3)C2)cc1C ZINC000368798224 267206664 /nfs/dbraw/zinc/20/66/64/267206664.db2.gz DXGDGBTWRHLTRI-AWEZNQCLSA-N 0 3 272.352 2.048 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCc3c[nH]nc3C2)c1 ZINC000370395857 267316774 /nfs/dbraw/zinc/31/67/74/267316774.db2.gz JOERGYOFTLGWFX-CMPLNLGQSA-N 0 3 287.363 2.332 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@]2(CO)COc3ccccc3C2)c1 ZINC000527768498 313201149 /nfs/dbraw/zinc/20/11/49/313201149.db2.gz BLQZWBKAWUEROI-GOSISDBHSA-N 0 3 299.370 2.156 20 10 CECDHN CCN(C)c1ccc([C@H](C)NCCC(=O)N(C)C)cc1 ZINC000178293099 327793603 /nfs/dbraw/zinc/79/36/03/327793603.db2.gz JQVBVBZUKRTLKB-ZDUSSCGKSA-N 0 3 277.412 2.272 20 10 CECDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)(F)F ZINC000270973764 328194213 /nfs/dbraw/zinc/19/42/13/328194213.db2.gz KHRBLDQIFGBKJI-GXSJLCMTSA-N 0 3 263.259 2.184 20 10 CECDHN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(OC)c2[O-])[C@@H]1SC ZINC000298198594 326900453 /nfs/dbraw/zinc/90/04/53/326900453.db2.gz XQTMMHFBWKJNCI-LNSITVRQSA-N 0 3 297.420 2.399 20 10 CECDHN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccccc1[O-] ZINC000183618715 329251342 /nfs/dbraw/zinc/25/13/42/329251342.db2.gz VPSKQOYSNMYJQB-CMPLNLGQSA-N 0 3 257.337 2.323 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC2COC2)c2c1c(F)ccc2[O-] ZINC000528027496 330305171 /nfs/dbraw/zinc/30/51/71/330305171.db2.gz UHEQOVOCMINOIV-KWQFWETISA-N 0 3 251.301 2.316 20 10 CECDHN Cc1c([C@H](C)[NH2+]Cc2cc(F)ccc2[O-])cnn1C ZINC000226584578 333265590 /nfs/dbraw/zinc/26/55/90/333265590.db2.gz FXXGIUWLVYKBKW-VIFPVBQESA-N 0 3 263.316 2.424 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]C2CCN(c3ncccn3)CC2)c1 ZINC000237758671 333381550 /nfs/dbraw/zinc/38/15/50/333381550.db2.gz QTWBZJLDGGXFIG-UHFFFAOYSA-N 0 3 298.390 2.249 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252811657 334394386 /nfs/dbraw/zinc/39/43/86/334394386.db2.gz OTCLOTOGXUKXHS-SRVKXCTJSA-N 0 3 265.353 2.355 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1[O-] ZINC000295995771 334904838 /nfs/dbraw/zinc/90/48/38/334904838.db2.gz KNWPXLHBDMUFOW-JBLDHEPKSA-N 0 3 251.326 2.056 20 10 CECDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289376626 521144771 /nfs/dbraw/zinc/14/47/71/521144771.db2.gz MCKWBGGFAWECEB-XBXGTLAGSA-N 0 3 265.353 2.400 20 10 CECDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)c1 ZINC000289376626 521144779 /nfs/dbraw/zinc/14/47/79/521144779.db2.gz MCKWBGGFAWECEB-XBXGTLAGSA-N 0 3 265.353 2.400 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2CCCCNC2=O)cc1 ZINC000036976603 520910284 /nfs/dbraw/zinc/91/02/84/520910284.db2.gz NVPOBXIHFFCKMB-MRXNPFEDSA-N 0 3 289.423 2.291 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@@H](COC)[C@@H]2CCCO2)c1 ZINC000278778412 521155944 /nfs/dbraw/zinc/15/59/44/521155944.db2.gz YVZORQQMIOGKKA-HOCLYGCPSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1ccc(O)c(CN[C@@H](COC)[C@@H]2CCCO2)c1 ZINC000278778412 521155955 /nfs/dbraw/zinc/15/59/55/521155955.db2.gz YVZORQQMIOGKKA-HOCLYGCPSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(C[NH2+]CC2([S@@](C)=O)CCC2)c1[O-] ZINC000280616970 521361841 /nfs/dbraw/zinc/36/18/41/521361841.db2.gz KOXLYKZAGCQQSJ-HXUWFJFHSA-N 0 3 297.420 2.182 20 10 CECDHN CCNC(=O)[C@@H](C)NCc1ccc(N2CCCCC2)cc1 ZINC000035134367 521743620 /nfs/dbraw/zinc/74/36/20/521743620.db2.gz FLOZJWMSZCXZIE-CQSZACIVSA-N 0 3 289.423 2.291 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CCCCCO)c1[O-] ZINC000076274282 522540279 /nfs/dbraw/zinc/54/02/79/522540279.db2.gz BHWPXKHURPAZGM-UHFFFAOYSA-N 0 3 273.760 2.306 20 10 CECDHN COC[C@H](CO)[NH2+]Cc1cc(-c2ccccc2)ccc1[O-] ZINC000279762518 522685563 /nfs/dbraw/zinc/68/55/63/522685563.db2.gz JGVQDUJHCXARNW-INIZCTEOSA-N 0 3 287.359 2.156 20 10 CECDHN CC[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(C)cc1O ZINC000280245551 522710439 /nfs/dbraw/zinc/71/04/39/522710439.db2.gz WGHBTXGVDRNHLL-GJZGRUSLSA-N 0 3 289.379 2.208 20 10 CECDHN CC[C@@H]([NH2+]CCN(C)CCOC)c1ccccc1[O-] ZINC000061375158 522833156 /nfs/dbraw/zinc/83/31/56/522833156.db2.gz BFWMAMWBURYEPS-CQSZACIVSA-N 0 3 266.385 2.011 20 10 CECDHN CC[C@@H]([NH2+]C[C@H](O)CN1CCCC1)c1ccc(C)cc1[O-] ZINC000280117723 522860665 /nfs/dbraw/zinc/86/06/65/522860665.db2.gz OCLLFHRNMZWVNN-GOEBONIOSA-N 0 3 292.423 2.198 20 10 CECDHN COC(=O)CCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298742260 523069121 /nfs/dbraw/zinc/06/91/21/523069121.db2.gz XSTNXMJJZDWKGJ-UHFFFAOYSA-N 0 3 276.380 2.280 20 10 CECDHN CC[C@@H](c1ccccc1O)N1CCO[C@H](COC)C1 ZINC000366696209 523105059 /nfs/dbraw/zinc/10/50/59/523105059.db2.gz YJXGHVMRJBNQOZ-JSGCOSHPSA-N 0 3 265.353 2.191 20 10 CECDHN CO[C@](C)(C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000291051802 524027610 /nfs/dbraw/zinc/02/76/10/524027610.db2.gz NDKSDEDEABERJK-CQSZACIVSA-N 0 3 253.317 2.436 20 10 CECDHN COc1ccc(CN[C@H](C)Cn2cccn2)cc1C ZINC000035272355 524088863 /nfs/dbraw/zinc/08/88/63/524088863.db2.gz NBQOLPBSRXWFNZ-CYBMUJFWSA-N 0 3 259.353 2.378 20 10 CECDHN C[C@](O)(CNCc1ccc2c(c1)CCO2)c1ccco1 ZINC000266170348 525179556 /nfs/dbraw/zinc/17/95/56/525179556.db2.gz QVMXKZNLMPSALO-INIZCTEOSA-N 0 3 273.332 2.212 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCCOC[C@H]2CCCO2)c1 ZINC000071406650 525349494 /nfs/dbraw/zinc/34/94/94/525349494.db2.gz LTHPTWRPKXXSLK-OAHLLOKOSA-N 0 3 279.380 2.376 20 10 CECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(F)ccc2[O-])o1 ZINC000272366171 525780195 /nfs/dbraw/zinc/78/01/95/525780195.db2.gz FXWOOCTVCDDYRT-ZDUSSCGKSA-N 0 3 265.284 2.256 20 10 CECDHN Cc1ccoc1CNCc1cc2c(cc1O)OCO2 ZINC000291662250 525804760 /nfs/dbraw/zinc/80/47/60/525804760.db2.gz FHDGRPDSPMDHOO-UHFFFAOYSA-N 0 3 261.277 2.312 20 10 CECDHN Cc1n[nH]c(C)c1CNCc1ccc(N(C)C)cc1 ZINC000036864740 526494981 /nfs/dbraw/zinc/49/49/81/526494981.db2.gz YBHKMHSYNCMONP-UHFFFAOYSA-N 0 3 258.369 2.382 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000279831104 527579318 /nfs/dbraw/zinc/57/93/18/527579318.db2.gz QHOZWJCCCMRCNH-CYBMUJFWSA-N 0 3 253.317 2.172 20 10 CECDHN CCCN(C)CC(=O)NCc1c(C)c2ccccc2n1C ZINC000352124291 527822390 /nfs/dbraw/zinc/82/23/90/527822390.db2.gz XGMUFAOXYOKZBJ-UHFFFAOYSA-N 0 3 287.407 2.445 20 10 CECDHN CCCN(C)CC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000730279020 574513328 /nfs/dbraw/zinc/51/33/28/574513328.db2.gz RWDGFQLMAKGAQJ-UHFFFAOYSA-N 0 3 291.439 2.491 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000753374252 575324952 /nfs/dbraw/zinc/32/49/52/575324952.db2.gz RMNXYMPLMLASPT-ZIAGYGMSSA-N 0 3 265.353 2.304 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000733325597 574663947 /nfs/dbraw/zinc/66/39/47/574663947.db2.gz LZSJWPDGNVVNJU-UHFFFAOYSA-N 0 3 285.347 2.214 20 10 CECDHN COC[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613499 574683069 /nfs/dbraw/zinc/68/30/69/574683069.db2.gz YZQZTTFXDXPHIA-HNNXBMFYSA-N 0 3 279.380 2.144 20 10 CECDHN COC[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000733613499 574683071 /nfs/dbraw/zinc/68/30/71/574683071.db2.gz YZQZTTFXDXPHIA-HNNXBMFYSA-N 0 3 279.380 2.144 20 10 CECDHN COC(=O)CC(C)(C)NCc1ccc(N(C)C)c(F)c1 ZINC000741254775 574979377 /nfs/dbraw/zinc/97/93/77/574979377.db2.gz CXTJOYCDNJSNNI-UHFFFAOYSA-N 0 3 282.359 2.323 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000742374627 575017926 /nfs/dbraw/zinc/01/79/26/575017926.db2.gz AQWZPBLGNVLUPS-GXTWGEPZSA-N 0 3 278.396 2.363 20 10 CECDHN COc1cccc(CNCc2ccc3[nH]c(=O)[nH]c3c2)c1O ZINC000753569066 575330333 /nfs/dbraw/zinc/33/03/33/575330333.db2.gz VXSCPUDXMRAHQL-UHFFFAOYSA-N 0 3 299.330 2.273 20 10 CECDHN CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000804777719 622961488 /nfs/dbraw/zinc/96/14/88/622961488.db2.gz FBPSWVRPQZIJIS-LBPRGKRZSA-N 0 3 292.379 2.010 20 10 CECDHN CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C)c(O)c1[O-] ZINC000804777719 622961492 /nfs/dbraw/zinc/96/14/92/622961492.db2.gz FBPSWVRPQZIJIS-LBPRGKRZSA-N 0 3 292.379 2.010 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H](CO)CC(C)C)c([O-])c1 ZINC000725846337 625759045 /nfs/dbraw/zinc/75/90/45/625759045.db2.gz GDNQBFONBSSJLO-CYBMUJFWSA-N 0 3 267.369 2.288 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCc2nc(C)ncc2C1 ZINC000725847434 625784136 /nfs/dbraw/zinc/78/41/36/625784136.db2.gz MGJPJGKQJGPSGQ-CYBMUJFWSA-N 0 3 299.374 2.146 20 10 CECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892790532 627774368 /nfs/dbraw/zinc/77/43/68/627774368.db2.gz DSTNVBURLKUAAC-CHWSQXEVSA-N 0 3 281.327 2.116 20 10 CECDHN COCCOCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094616979 628929247 /nfs/dbraw/zinc/92/92/47/628929247.db2.gz HRSTZAINQGUQRK-NSHDSACASA-N 0 3 271.332 2.235 20 10 CECDHN CN(C)Cc1cccc(C(=O)NCCc2ccc(N)cc2)c1 ZINC000237055775 629181167 /nfs/dbraw/zinc/18/11/67/629181167.db2.gz YYFIWCOCPFAWEX-UHFFFAOYSA-N 0 3 297.402 2.303 20 10 CECDHN COc1cc(C)cc(CNCc2c(C)nn(C)c2C)c1O ZINC000894221789 629234975 /nfs/dbraw/zinc/23/49/75/629234975.db2.gz WZHCFRYDRZTOJW-UHFFFAOYSA-N 0 3 289.379 2.349 20 10 CECDHN CC[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccc(C)cc1[O-] ZINC000794800022 629324238 /nfs/dbraw/zinc/32/42/38/629324238.db2.gz BFEMEYPHCDPTPZ-ZIAGYGMSSA-N 0 3 276.380 2.362 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C)cc1[O-] ZINC000794809081 629325054 /nfs/dbraw/zinc/32/50/54/629325054.db2.gz QGEFLXLYNCWPQD-GOEBONIOSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)c1ccc(C)cc1[O-] ZINC000794815301 629328694 /nfs/dbraw/zinc/32/86/94/629328694.db2.gz JTNGOXHZLIKEGC-YPMHNXCESA-N 0 3 264.369 2.218 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@@H]3C1)[C@@H](O)CO2 ZINC000902654439 634759212 /nfs/dbraw/zinc/75/92/12/634759212.db2.gz MIJNPPHXCUEMKI-RWSFTLGLSA-N 0 3 275.348 2.050 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@@H]3C1)[C@@H](O)CO2 ZINC000902654439 634759217 /nfs/dbraw/zinc/75/92/17/634759217.db2.gz MIJNPPHXCUEMKI-RWSFTLGLSA-N 0 3 275.348 2.050 20 10 CECDHN NC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000895004476 629789176 /nfs/dbraw/zinc/78/91/76/629789176.db2.gz QUHSPUTXCABPGV-GOSISDBHSA-N 0 3 296.370 2.021 20 10 CECDHN NC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000895004476 629789180 /nfs/dbraw/zinc/78/91/80/629789180.db2.gz QUHSPUTXCABPGV-GOSISDBHSA-N 0 3 296.370 2.021 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(S(C)(=O)=O)CC2)c([O-])c1 ZINC000797070847 630124143 /nfs/dbraw/zinc/12/41/43/630124143.db2.gz NFVGBHOYDRCUAN-NEPJUHHUSA-N 0 3 297.420 2.317 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C1(S(C)(=O)=O)CC1)c1ccccc1[O-] ZINC000797071300 630124332 /nfs/dbraw/zinc/12/43/32/630124332.db2.gz RFDUDFZXJYRDEU-AAEUAGOBSA-N 0 3 297.420 2.399 20 10 CECDHN CC[C@@H](C(=O)NCc1c([O-])cccc1F)[NH+](CC)CC ZINC000928706591 631128945 /nfs/dbraw/zinc/12/89/45/631128945.db2.gz YEEMALGTDVBTAU-ZDUSSCGKSA-N 0 3 282.359 2.268 20 10 CECDHN Cc1cccc(O)c1CN(C)Cc1cccc(=O)[nH]1 ZINC000897392336 631277087 /nfs/dbraw/zinc/27/70/87/631277087.db2.gz XSVIKFGHNDFRPX-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN C[C@@H]1CC[C@H](NCc2c([O-])cccc2Cl)C[NH2+]1 ZINC000863484210 631559728 /nfs/dbraw/zinc/55/97/28/631559728.db2.gz IAZRDDVBPQZZES-ZJUUUORDSA-N 0 3 254.761 2.276 20 10 CECDHN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cc(F)ccc1[O-] ZINC000310981739 631663404 /nfs/dbraw/zinc/66/34/04/631663404.db2.gz RDOYJVOZTCVHEH-YMTOWFKASA-N 0 3 253.317 2.343 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000808436423 631963414 /nfs/dbraw/zinc/96/34/14/631963414.db2.gz WCYSXVTXEWJEKV-LBPRGKRZSA-N 0 3 251.326 2.060 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000808677839 631999206 /nfs/dbraw/zinc/99/92/06/631999206.db2.gz FJSGHTMVBSNPPA-ZYHUDNBSSA-N 0 3 285.771 2.420 20 10 CECDHN COC(=O)CCCCC[NH2+]Cc1c([O-])cccc1OC ZINC000809727586 632133732 /nfs/dbraw/zinc/13/37/32/632133732.db2.gz OXVMHLWBZXLYPW-UHFFFAOYSA-N 0 3 281.352 2.224 20 10 CECDHN CC[C@H]1C[C@H]([NH2+]Cc2c([O-])cccc2OC)CCO1 ZINC000817415369 633653868 /nfs/dbraw/zinc/65/38/68/633653868.db2.gz RZPSGRJTMFGDDQ-NEPJUHHUSA-N 0 3 265.353 2.448 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817964547 633806832 /nfs/dbraw/zinc/80/68/32/633806832.db2.gz CHXNDYQYBPDYRH-CHWSQXEVSA-N 0 3 252.333 2.309 20 10 CECDHN C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(F)ccc1[O-] ZINC000818350957 633914908 /nfs/dbraw/zinc/91/49/08/633914908.db2.gz NUDJRLHRUVZRGF-JTQLQIEISA-N 0 3 289.372 2.007 20 10 CECDHN CCC[C@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000824543187 635448062 /nfs/dbraw/zinc/44/80/62/635448062.db2.gz FZMFEMIESTYHHX-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)[C@H]2C)c1[O-] ZINC000824960494 635532144 /nfs/dbraw/zinc/53/21/44/635532144.db2.gz XNMRXRXOQXEKAD-SKDRFNHKSA-N 0 3 255.745 2.309 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)[C@H]2C)c1[O-] ZINC000824960494 635532148 /nfs/dbraw/zinc/53/21/48/635532148.db2.gz XNMRXRXOQXEKAD-SKDRFNHKSA-N 0 3 255.745 2.309 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000825134089 635576427 /nfs/dbraw/zinc/57/64/27/635576427.db2.gz UYQIKOVARYMCQZ-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN CN1C[C@@H]2C[N@H+](Cc3c([O-])ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635630013 /nfs/dbraw/zinc/63/00/13/635630013.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 0 3 297.402 2.324 20 10 CECDHN CN1C[C@@H]2C[N@@H+](Cc3c([O-])ccc4ccncc43)C[C@]2(C)C1 ZINC000904437444 635630016 /nfs/dbraw/zinc/63/00/16/635630016.db2.gz RYTNGSJZPRTROW-KDOFPFPSSA-N 0 3 297.402 2.324 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827291979 636281803 /nfs/dbraw/zinc/28/18/03/636281803.db2.gz OMBXFQWQTNSIBY-SMDDNHRTSA-N 0 3 267.756 2.311 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827291979 636281807 /nfs/dbraw/zinc/28/18/07/636281807.db2.gz OMBXFQWQTNSIBY-SMDDNHRTSA-N 0 3 267.756 2.311 20 10 CECDHN COC(=O)N(C)CC[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000827370706 636307394 /nfs/dbraw/zinc/30/73/94/636307394.db2.gz IXGYLECHEJLBGS-UHFFFAOYSA-N 0 3 286.759 2.142 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827586024 636359584 /nfs/dbraw/zinc/35/95/84/636359584.db2.gz STNSURIEXVWJQU-QMMMGPOBSA-N 0 3 271.744 2.057 20 10 CECDHN Cc1cc(Cl)cc(C[NH2+]CCOCCF)c1[O-] ZINC000827949880 636467247 /nfs/dbraw/zinc/46/72/47/636467247.db2.gz OQKNUEDMROPSIP-UHFFFAOYSA-N 0 3 261.724 2.430 20 10 CECDHN CCCN1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1O ZINC000827978439 636478068 /nfs/dbraw/zinc/47/80/68/636478068.db2.gz TUHZYIGPAYGJJU-GXTWGEPZSA-N 0 3 276.380 2.444 20 10 CECDHN C[C@@H](CO)C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121393589 637124591 /nfs/dbraw/zinc/12/45/91/637124591.db2.gz WUICVIPUOWCRAS-HIFRSBDPSA-N 0 3 279.380 2.002 20 10 CECDHN C[C@@H](CO)C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000121393589 637124594 /nfs/dbraw/zinc/12/45/94/637124594.db2.gz WUICVIPUOWCRAS-HIFRSBDPSA-N 0 3 279.380 2.002 20 10 CECDHN COC1CCN(CC[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834616752 637891005 /nfs/dbraw/zinc/89/10/05/637891005.db2.gz QPEAZFXAEGUZHH-HNNXBMFYSA-N 0 3 290.407 2.080 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](CO)Cc1ccco1)CC2 ZINC000834624025 637893791 /nfs/dbraw/zinc/89/37/91/637893791.db2.gz DWWBYTNRJDTDNB-DOMZBBRYSA-N 0 3 287.359 2.413 20 10 CECDHN O=C(C[NH2+][C@H]1CCc2cccc([O-])c21)NC1CCCC1 ZINC000834645717 637902120 /nfs/dbraw/zinc/90/21/20/637902120.db2.gz JVWRQRBISBENIE-ZDUSSCGKSA-N 0 3 274.364 2.028 20 10 CECDHN CC1(C)OCC([NH2+][C@@H]2CCc3cccc([O-])c32)CO1 ZINC000834764828 637944137 /nfs/dbraw/zinc/94/41/37/637944137.db2.gz HIHJCOUBNWOWJN-GFCCVEGCSA-N 0 3 263.337 2.121 20 10 CECDHN CCn1cccc(C[NH2+][C@H]2CCc3cccc([O-])c32)c1=O ZINC000834786896 637952327 /nfs/dbraw/zinc/95/23/27/637952327.db2.gz DMTMQPKOTMNYHQ-AWEZNQCLSA-N 0 3 284.359 2.351 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c([O-])c1 ZINC000834850582 637970986 /nfs/dbraw/zinc/97/09/86/637970986.db2.gz NCWNNQVIZSXWPL-CABCVRRESA-N 0 3 292.423 2.198 20 10 CECDHN CCN(C)c1ccc([C@@H](C)NC(COC)COC)cc1 ZINC000834892179 637979976 /nfs/dbraw/zinc/97/99/76/637979976.db2.gz QLVQKGUEWMSHOV-CYBMUJFWSA-N 0 3 280.412 2.455 20 10 CECDHN CC[C@@H]([NH2+][C@H](CC)c1ccc(C)cc1[O-])C(=O)NC ZINC000834910886 637985844 /nfs/dbraw/zinc/98/58/44/637985844.db2.gz GJRLGWMITDSSSC-CHWSQXEVSA-N 0 3 264.369 2.266 20 10 CECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2CCCCN2C1=O)c1cc(F)ccc1[O-] ZINC000834911810 637986283 /nfs/dbraw/zinc/98/62/83/637986283.db2.gz BDONDGDUFBKQSI-VHRBIJSZSA-N 0 3 292.354 2.335 20 10 CECDHN CCO[C@@H]1COC[C@H]1NC/C=C\c1ccc(N(C)C)cc1 ZINC000835053152 638040982 /nfs/dbraw/zinc/04/09/82/638040982.db2.gz BHSRIRQORCYBMT-MBZYTVFJSA-N 0 3 290.407 2.159 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)CN(C)C)c([O-])c1 ZINC000835070635 638047762 /nfs/dbraw/zinc/04/77/62/638047762.db2.gz UIUOPMXPVNWPTM-UHFFFAOYSA-N 0 3 266.385 2.221 20 10 CECDHN Cc1n[nH]cc1CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876922818 650487176 /nfs/dbraw/zinc/48/71/76/650487176.db2.gz MDEHVBKUSRYLET-UHFFFAOYSA-N 0 3 259.353 2.455 20 10 CECDHN CC[C@H](C)NC(=O)[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000840936269 639591447 /nfs/dbraw/zinc/59/14/47/639591447.db2.gz HYNJZFZFWNNGGL-KBPBESRZSA-N 0 3 291.439 2.454 20 10 CECDHN COCC[C@H](C)C[NH2+]Cc1c([O-])cccc1OC ZINC000840955090 639600017 /nfs/dbraw/zinc/60/00/17/639600017.db2.gz MPNMRBUGVUOEFN-NSHDSACASA-N 0 3 253.342 2.163 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1 ZINC000841061178 639636236 /nfs/dbraw/zinc/63/62/36/639636236.db2.gz FWGQDNUZVGBHAB-MWLCHTKSSA-N 0 3 254.761 2.276 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C)Cc2cnccn2)c([O-])c1 ZINC000876975388 650514880 /nfs/dbraw/zinc/51/48/80/650514880.db2.gz FGHSHXKSOGVNSC-LBPRGKRZSA-N 0 3 257.337 2.211 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccccc1[O-] ZINC000228929440 639665465 /nfs/dbraw/zinc/66/54/65/639665465.db2.gz RNHQNXFXQZONGU-WCQYABFASA-N 0 3 264.369 2.346 20 10 CECDHN O=C1COc2ccc(C[NH2+]Cc3ccccc3[O-])cc2N1 ZINC000231644815 639870411 /nfs/dbraw/zinc/87/04/11/639870411.db2.gz ZWUUVMLAGKWBLB-UHFFFAOYSA-N 0 3 284.315 2.013 20 10 CECDHN CCC[N@H+](CCCNC(C)=O)Cc1ccccc1[O-] ZINC000174372959 639919896 /nfs/dbraw/zinc/91/98/96/639919896.db2.gz SLKIYAIIWUTEFH-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CCC[N@@H+](CCCNC(C)=O)Cc1ccccc1[O-] ZINC000174372959 639919903 /nfs/dbraw/zinc/91/99/03/639919903.db2.gz SLKIYAIIWUTEFH-UHFFFAOYSA-N 0 3 264.369 2.130 20 10 CECDHN CO[C@@H]1COC[C@H]1NCc1ccc(N2CCCCC2)cc1 ZINC000842751871 640169661 /nfs/dbraw/zinc/16/96/61/640169661.db2.gz AGFJBNKHYOHORB-IAGOWNOFSA-N 0 3 290.407 2.180 20 10 CECDHN C[C@@H]([NH3+])[C@@H]1CCN(Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843057674 640260217 /nfs/dbraw/zinc/26/02/17/640260217.db2.gz QNWRQSALDOKRMO-RKDXNWHRSA-N 0 3 272.751 2.354 20 10 CECDHN CCC[C@H]1C[NH2+]CCN1Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000843365847 640406750 /nfs/dbraw/zinc/40/67/50/640406750.db2.gz YNRZIKFGCZKZPC-AWEZNQCLSA-N 0 3 294.370 2.308 20 10 CECDHN CC[C@H](N)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000843486035 640440403 /nfs/dbraw/zinc/44/04/03/640440403.db2.gz OZORYBCGPACTDT-HNNXBMFYSA-N 0 3 277.412 2.227 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@]1(CO)CCc2ccccc21 ZINC000846011970 641152053 /nfs/dbraw/zinc/15/20/53/641152053.db2.gz RTWFINLMNDUGBU-SFHVURJKSA-N 0 3 283.371 2.358 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]CC[C@@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000846191230 641217844 /nfs/dbraw/zinc/21/78/44/641217844.db2.gz AZCXFLXMQZNNOY-NSODJVPESA-N 0 3 295.354 2.211 20 10 CECDHN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[O-] ZINC000846205509 641220718 /nfs/dbraw/zinc/22/07/18/641220718.db2.gz HTCFKGFJSBZDRU-NEPJUHHUSA-N 0 3 274.364 2.054 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@]2(O)CCCOC2)c([O-])c1 ZINC000846212878 641224406 /nfs/dbraw/zinc/22/44/06/641224406.db2.gz NIASVGDXEBVLKQ-CZUORRHYSA-N 0 3 279.380 2.283 20 10 CECDHN CC[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccccc1[O-] ZINC000848562235 642055008 /nfs/dbraw/zinc/05/50/08/642055008.db2.gz BNUWSBBYQJDHMQ-WCQYABFASA-N 0 3 286.379 2.119 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3c(nnn3C)C2)c([O-])c1 ZINC000848564419 642056182 /nfs/dbraw/zinc/05/61/82/642056182.db2.gz NDFNKNCBLHAHFJ-NEPJUHHUSA-N 0 3 286.379 2.037 20 10 CECDHN COc1cc(O)c(CN2C[C@@H](C)[C@@H]2C)cc1OC ZINC000816648691 642162243 /nfs/dbraw/zinc/16/22/43/642162243.db2.gz NOZVOTPBVISFNM-ZJUUUORDSA-N 0 3 251.326 2.250 20 10 CECDHN CCc1cccc(CN2CC[C@H](C)C[C@H]2C(N)=O)c1O ZINC000848904262 642181314 /nfs/dbraw/zinc/18/13/14/642181314.db2.gz OSBXTBHFYIUPQA-FZMZJTMJSA-N 0 3 276.380 2.040 20 10 CECDHN CCc1cccc(CNCc2n[nH]c(C(C)C)n2)c1O ZINC000848915617 642190129 /nfs/dbraw/zinc/19/01/29/642190129.db2.gz KQFXVZAOCYNGLN-UHFFFAOYSA-N 0 3 274.368 2.486 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CC2CCS(=O)(=O)CC2)c([O-])c1 ZINC000186185436 642310242 /nfs/dbraw/zinc/31/02/42/642310242.db2.gz JCJYWDJYYXNYGW-GFCCVEGCSA-N 0 3 297.420 2.176 20 10 CECDHN CCOC(=O)C1(C)CC([NH2+]Cc2ccc(OC)cc2[O-])C1 ZINC000877494561 650750212 /nfs/dbraw/zinc/75/02/12/650750212.db2.gz YHCWXNWYTBAGRS-UHFFFAOYSA-N 0 3 293.363 2.222 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877530925 650770567 /nfs/dbraw/zinc/77/05/67/650770567.db2.gz ZHXMNPPZZQTHBY-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877530925 650770569 /nfs/dbraw/zinc/77/05/69/650770569.db2.gz ZHXMNPPZZQTHBY-OAHLLOKOSA-N 0 3 290.407 2.439 20 10 CECDHN CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000850485098 642729203 /nfs/dbraw/zinc/72/92/03/642729203.db2.gz XESFUPZXZCFOKE-FIXISWKDSA-N 0 3 283.343 2.233 20 10 CECDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](O)C(F)F ZINC000877561176 650789528 /nfs/dbraw/zinc/78/95/28/650789528.db2.gz IICOKYDCMGLCEL-JQWIXIFHSA-N 0 3 259.296 2.195 20 10 CECDHN CCN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C(C)C ZINC000877563242 650791236 /nfs/dbraw/zinc/79/12/36/650791236.db2.gz JCZPDDPWLNIJFJ-HNNXBMFYSA-N 0 3 278.396 2.293 20 10 CECDHN CCN(C)c1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000852288258 643379985 /nfs/dbraw/zinc/37/99/85/643379985.db2.gz MHHHNDXCQFTFPQ-UHFFFAOYSA-N 0 3 258.369 2.498 20 10 CECDHN COC(=O)c1coc(CNCc2c(C)cccc2O)c1 ZINC000877699502 650857348 /nfs/dbraw/zinc/85/73/48/650857348.db2.gz NAXDLXFZHKTDSZ-UHFFFAOYSA-N 0 3 275.304 2.370 20 10 CECDHN Cn1cc(CCC[N@@H+]2Cc3cccc([O-])c3C2)cn1 ZINC000877703015 650859316 /nfs/dbraw/zinc/85/93/16/650859316.db2.gz OPNZHYGHIBELDE-UHFFFAOYSA-N 0 3 257.337 2.074 20 10 CECDHN Cn1cc(CCC[N@H+]2Cc3cccc([O-])c3C2)cn1 ZINC000877703015 650859318 /nfs/dbraw/zinc/85/93/18/650859318.db2.gz OPNZHYGHIBELDE-UHFFFAOYSA-N 0 3 257.337 2.074 20 10 CECDHN COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1c(C)cccc1[O-])C2 ZINC000877724983 650873135 /nfs/dbraw/zinc/87/31/35/650873135.db2.gz NTBCLYVVIMSVPA-WQGACYEGSA-N 0 3 275.348 2.132 20 10 CECDHN COc1ccc([C@@H](CO)C[NH2+]Cc2ccccc2[O-])cc1 ZINC000839185310 644182747 /nfs/dbraw/zinc/18/27/47/644182747.db2.gz SHUCDBWBDPBQCB-OAHLLOKOSA-N 0 3 287.359 2.267 20 10 CECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCOC2)c2c1c(F)ccc2[O-] ZINC000756768102 644690487 /nfs/dbraw/zinc/69/04/87/644690487.db2.gz JKRBQEIVVNALIN-YWVKMMECSA-N 0 3 251.301 2.458 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CCN2CCC2)c2c1c(F)ccc2[O-] ZINC000756769924 644690621 /nfs/dbraw/zinc/69/06/21/644690621.db2.gz RVRHNZKEOVTUJO-JQWIXIFHSA-N 0 3 264.344 2.375 20 10 CECDHN CNC(=O)C(C)(C)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756782063 644691382 /nfs/dbraw/zinc/69/13/82/644691382.db2.gz MCNPKYNMZFZRJU-GXSJLCMTSA-N 0 3 294.370 2.441 20 10 CECDHN Cc1ccc(O)c([C@H](C)NCc2ccnc(N(C)C)n2)c1 ZINC000756787970 644692792 /nfs/dbraw/zinc/69/27/92/644692792.db2.gz ACXHHMRONNFFDE-LBPRGKRZSA-N 0 3 286.379 2.407 20 10 CECDHN Cc1cc(CNCc2cc(C)c(C)cc2O)ncn1 ZINC000756989749 644715859 /nfs/dbraw/zinc/71/58/59/644715859.db2.gz FXAIWWPKLLCOBU-UHFFFAOYSA-N 0 3 257.337 2.397 20 10 CECDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCOCC2)c([O-])c1 ZINC000757660051 644832993 /nfs/dbraw/zinc/83/29/93/644832993.db2.gz ZFYCLKMMDBKIJW-SWLSCSKDSA-N 0 3 279.380 2.139 20 10 CECDHN C[C@@H](Cn1ccnc1)NCc1cc(F)c(N(C)C)cc1F ZINC000858093565 645059198 /nfs/dbraw/zinc/05/91/98/645059198.db2.gz BHOXURUHGYHBQT-NSHDSACASA-N 0 3 294.349 2.406 20 10 CECDHN COc1cc(CNCc2c[nH]nn2)c(O)c(C(C)(C)C)c1 ZINC000858196979 645086470 /nfs/dbraw/zinc/08/64/70/645086470.db2.gz AZKGRUNCISUROZ-UHFFFAOYSA-N 0 3 290.367 2.106 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H]2COCCN2C)c1[O-] ZINC000858523784 645190891 /nfs/dbraw/zinc/19/08/91/645190891.db2.gz UYDFZGJFTHPRIQ-AAEUAGOBSA-N 0 3 298.814 2.335 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)c2c1c(F)ccc2[O-] ZINC000858545812 645197239 /nfs/dbraw/zinc/19/72/39/645197239.db2.gz VHCGOZYDJTZSCO-UXCLJVHYSA-N 0 3 265.328 2.440 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN2CC[C@@H](O)C2)c1[O-] ZINC000858547242 645197321 /nfs/dbraw/zinc/19/73/21/645197321.db2.gz DWJFXHLMSOVNAZ-WCQYABFASA-N 0 3 298.814 2.071 20 10 CECDHN CN(C)c1ccc(CN2CCN(CCCF)CC2)cc1 ZINC000860007782 645674178 /nfs/dbraw/zinc/67/41/78/645674178.db2.gz FVYZTWMRBQDDCY-UHFFFAOYSA-N 0 3 279.403 2.230 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769517198 646281280 /nfs/dbraw/zinc/28/12/80/646281280.db2.gz ZXLJKGMAUNJUFW-CHWSQXEVSA-N 0 3 277.364 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000769517198 646281284 /nfs/dbraw/zinc/28/12/84/646281284.db2.gz ZXLJKGMAUNJUFW-CHWSQXEVSA-N 0 3 277.364 2.259 20 10 CECDHN C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1O ZINC000775130650 646926020 /nfs/dbraw/zinc/92/60/20/646926020.db2.gz NPBPFTHKUUMYJL-LBPRGKRZSA-N 0 3 295.342 2.251 20 10 CECDHN C[C@H]([NH2+]Cc1cc(=O)n2ccccc2n1)c1ccccc1[O-] ZINC000775130650 646926028 /nfs/dbraw/zinc/92/60/28/646926028.db2.gz NPBPFTHKUUMYJL-LBPRGKRZSA-N 0 3 295.342 2.251 20 10 CECDHN C[C@H]([NH2+]CC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000775137397 646926051 /nfs/dbraw/zinc/92/60/51/646926051.db2.gz UDGBMEDYBFVUQI-NSHDSACASA-N 0 3 262.353 2.102 20 10 CECDHN CC[C@@H]([NH2+]CCN1CCO[C@H](C)C1)c1ccccc1[O-] ZINC000775501094 646960679 /nfs/dbraw/zinc/96/06/79/646960679.db2.gz BRXWFASMBSCOTI-UKRRQHHQSA-N 0 3 278.396 2.154 20 10 CECDHN CC[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000775503359 646960912 /nfs/dbraw/zinc/96/09/12/646960912.db2.gz GHPDAMJJNXIOBG-DZGCQCFKSA-N 0 3 279.380 2.486 20 10 CECDHN CC[C@@H]([NH2+][C@@H](C)COCCOC)c1ccccc1[O-] ZINC000775527213 646963015 /nfs/dbraw/zinc/96/30/15/646963015.db2.gz PCOVTIFEBZXSBY-GXTWGEPZSA-N 0 3 267.369 2.484 20 10 CECDHN CCN(C)C(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000775586845 646969679 /nfs/dbraw/zinc/96/96/79/646969679.db2.gz PRTAFHCSDOPOCE-MWLCHTKSSA-N 0 3 280.343 2.148 20 10 CECDHN C[C@@H](NCC(=O)NCC1CCC1)c1ccc(N(C)C)cc1 ZINC000775832016 646997296 /nfs/dbraw/zinc/99/72/96/646997296.db2.gz WHZLIWICJBHNMI-CYBMUJFWSA-N 0 3 289.423 2.320 20 10 CECDHN C[C@@H]1C[C@H]1NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000864467959 647022087 /nfs/dbraw/zinc/02/20/87/647022087.db2.gz CTVOICJMDQRHMR-GMSGAONNSA-N 0 3 298.184 2.177 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([O-])c1 ZINC000778216192 647211566 /nfs/dbraw/zinc/21/15/66/647211566.db2.gz KDVLONQKLHPRFG-IUODEOHRSA-N 0 3 279.380 2.432 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000778216488 647211835 /nfs/dbraw/zinc/21/18/35/647211835.db2.gz OSOQNJZAKWYOBM-AAEUAGOBSA-N 0 3 265.353 2.042 20 10 CECDHN CC(=O)NCC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000865442586 647295428 /nfs/dbraw/zinc/29/54/28/647295428.db2.gz OUPZQRGFGPSLSP-UHFFFAOYSA-N 0 3 276.380 2.177 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)c([O-])c1 ZINC000865691399 647425617 /nfs/dbraw/zinc/42/56/17/647425617.db2.gz ANMKPPXYOCGHJK-RFLUGMABSA-N 0 3 289.375 2.304 20 10 CECDHN COc1cc(CN2CCOCC3(CC3)C2)c(O)cc1C ZINC000782296576 647610140 /nfs/dbraw/zinc/61/01/40/647610140.db2.gz MUDRTVZYEOGKHB-UHFFFAOYSA-N 0 3 277.364 2.322 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000787421823 648107752 /nfs/dbraw/zinc/10/77/52/648107752.db2.gz XFPYCGRKSXQSCV-AAEUAGOBSA-N 0 3 294.370 2.275 20 10 CECDHN COc1cccc(O)c1CNCc1cnc2n1CCCC2 ZINC000790637079 648437022 /nfs/dbraw/zinc/43/70/22/648437022.db2.gz GWSUZERZFZSOGI-UHFFFAOYSA-N 0 3 287.363 2.223 20 10 CECDHN OCC1CCN(c2ccc(CNCC3(F)CC3)cc2)CC1 ZINC000792929167 648689011 /nfs/dbraw/zinc/68/90/11/648689011.db2.gz ATIUYGJJNZENGA-UHFFFAOYSA-N 0 3 292.398 2.487 20 10 CECDHN COc1ccc(C[NH2+][C@H](C)CCn2cccn2)c([O-])c1 ZINC000793388511 648749223 /nfs/dbraw/zinc/74/92/23/648749223.db2.gz PFAMTCCWAAMACP-GFCCVEGCSA-N 0 3 275.352 2.166 20 10 CECDHN COc1ccc(C[NH2+]Cc2cccc3nccn32)c([O-])c1 ZINC000793387161 648749452 /nfs/dbraw/zinc/74/94/52/648749452.db2.gz AELHHFBTKNKHGL-UHFFFAOYSA-N 0 3 283.331 2.338 20 10 CECDHN CC(C)([NH2+]Cc1cc(F)ccc1[O-])C(=O)N1CCCC1 ZINC000793396362 648750554 /nfs/dbraw/zinc/75/05/54/648750554.db2.gz XEPWIJXMWHPOMX-UHFFFAOYSA-N 0 3 280.343 2.022 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000872266163 649333757 /nfs/dbraw/zinc/33/37/57/649333757.db2.gz ALQMWJRSNAVHPP-TXEJJXNPSA-N 0 3 267.756 2.432 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000872266163 649333759 /nfs/dbraw/zinc/33/37/59/649333759.db2.gz ALQMWJRSNAVHPP-TXEJJXNPSA-N 0 3 267.756 2.432 20 10 CECDHN CSC1CC[NH+](Cc2cc3c(cc2[O-])OC[C@H]3O)CC1 ZINC000872627398 649444691 /nfs/dbraw/zinc/44/46/91/649444691.db2.gz BWLQDHRJLHYELM-CQSZACIVSA-N 0 3 295.404 2.145 20 10 CECDHN C[C@@H]([NH2+]C[C@@H](O)CC(F)(F)F)c1ccccc1[O-] ZINC000879649456 651335185 /nfs/dbraw/zinc/33/51/85/651335185.db2.gz UHBPITKWCFLNLB-BDAKNGLRSA-N 0 3 263.259 2.356 20 10 CECDHN CCCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649362 651335230 /nfs/dbraw/zinc/33/52/30/651335230.db2.gz RDYNGXPJHOKLML-NEPJUHHUSA-N 0 3 264.369 2.348 20 10 CECDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC1CCCC1 ZINC000879648966 651335256 /nfs/dbraw/zinc/33/52/56/651335256.db2.gz HQTIRXZHCYGWGO-VXGBXAGGSA-N 0 3 276.380 2.490 20 10 CECDHN CN(Cc1c([O-])cccc1Cl)CC(C)(C)C[NH3+] ZINC000128348232 651422357 /nfs/dbraw/zinc/42/23/57/651422357.db2.gz RZVDURYHBQPPAH-UHFFFAOYSA-N 0 3 256.777 2.462 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](CO)Cc1ccoc1)CC2 ZINC000883276175 652421432 /nfs/dbraw/zinc/42/14/32/652421432.db2.gz HDFGNWVTHYNBPT-DZGCQCFKSA-N 0 3 287.359 2.413 20 10 CECDHN CCCCN(CC)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000131880231 652475014 /nfs/dbraw/zinc/47/50/14/652475014.db2.gz WNHNXNDMHYWGPE-UHFFFAOYSA-N 0 3 291.439 2.491 20 10 CECDHN COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(O)cc1[O-])C2 ZINC001168250010 806441469 /nfs/dbraw/zinc/44/14/69/806441469.db2.gz WOTKBIBCJJACHP-CQSZACIVSA-N 0 3 285.343 2.363 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCO[C@H]1CC1(F)F)CC2 ZINC000690723685 802881079 /nfs/dbraw/zinc/88/10/79/802881079.db2.gz BFRBYWQWZNCAIV-PWSUYJOCSA-N 0 3 269.291 2.393 20 10 CECDHN CCCO[C@H]1CC[N@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028531 803666664 /nfs/dbraw/zinc/66/66/64/803666664.db2.gz SQRMZDDPEQRYRQ-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN CCCO[C@H]1CC[N@@H+](Cc2c([O-])cc(OC)cc2OC)C1 ZINC001141028531 803666665 /nfs/dbraw/zinc/66/66/65/803666665.db2.gz SQRMZDDPEQRYRQ-LBPRGKRZSA-N 0 3 295.379 2.410 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC([NH+](C)C)CC2)c1[O-] ZINC000037328934 815143454 /nfs/dbraw/zinc/14/34/54/815143454.db2.gz XHAAUTBTHZRQLB-UHFFFAOYSA-N 0 3 294.370 2.260 20 10 CECDHN Cc1nnc(C2CC[NH+](Cc3ccccc3[O-])CC2)o1 ZINC001203558317 808725954 /nfs/dbraw/zinc/72/59/54/808725954.db2.gz DITHQSHVMDABNO-UHFFFAOYSA-N 0 3 273.336 2.463 20 10 CECDHN CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC001172027357 815272144 /nfs/dbraw/zinc/27/21/44/815272144.db2.gz VLDNXDVTZVUWNC-NEPJUHHUSA-N 0 3 262.353 2.054 20 10 CECDHN CC[NH+](CC)CCCNCc1ccc(F)c(F)c1[O-] ZINC000703230106 809632126 /nfs/dbraw/zinc/63/21/26/809632126.db2.gz ONBSIOLUQMANJF-UHFFFAOYSA-N 0 3 272.339 2.492 20 10 CECDHN CCN(CC)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703230106 809632128 /nfs/dbraw/zinc/63/21/28/809632128.db2.gz ONBSIOLUQMANJF-UHFFFAOYSA-N 0 3 272.339 2.492 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000708480837 809928331 /nfs/dbraw/zinc/92/83/31/809928331.db2.gz MMVBBCIELRXWNJ-STQMWFEESA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(F)cc(F)cc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000708480837 809928336 /nfs/dbraw/zinc/92/83/36/809928336.db2.gz MMVBBCIELRXWNJ-STQMWFEESA-N 0 3 282.334 2.387 20 10 CECDHN COc1cc(CNCc2cc(C)ccc2O)sn1 ZINC000399308846 813707962 /nfs/dbraw/zinc/70/79/62/813707962.db2.gz LJFWQDFDTVKFRS-UHFFFAOYSA-N 0 3 264.350 2.456 20 10 CECDHN CCN(CC)c1ccc(CN2C[C@H](C)[C@H](O)C2)c(OC)c1 ZINC001138386494 815787053 /nfs/dbraw/zinc/78/70/53/815787053.db2.gz OJEDWTIADDMMFY-XJKSGUPXSA-N 0 3 292.423 2.354 20 10 CECDHN CCN(Cc1cnc(N)s1)Cc1ccccc1O ZINC001139230638 815993728 /nfs/dbraw/zinc/99/37/28/815993728.db2.gz DLZXSSQBUGKQBV-UHFFFAOYSA-N 0 3 263.366 2.453 20 10 CECDHN C[NH+]1CCC2(CN(Cc3c(F)ccc(F)c3[O-])C2)CC1 ZINC001139686378 816083209 /nfs/dbraw/zinc/08/32/09/816083209.db2.gz WWCWOVGTOKKKPP-UHFFFAOYSA-N 0 3 282.334 2.198 20 10 CECDHN O=C1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140056406 816179137 /nfs/dbraw/zinc/17/91/37/816179137.db2.gz VWLYPTIJRCPVEL-MFKMUULPSA-N 0 3 263.312 2.332 20 10 CECDHN O=C1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3[O-])C[C@H]12 ZINC001140056406 816179140 /nfs/dbraw/zinc/17/91/40/816179140.db2.gz VWLYPTIJRCPVEL-MFKMUULPSA-N 0 3 263.312 2.332 20 10 CECDHN COC(=O)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC001140063176 816182758 /nfs/dbraw/zinc/18/27/58/816182758.db2.gz MIFKCQHOWRRNBR-UHFFFAOYSA-N 0 3 281.327 2.306 20 10 CECDHN Cc1ccc(C)c(CN(C)Cc2cnn(C)c2)c1O ZINC001140178348 816204259 /nfs/dbraw/zinc/20/42/59/816204259.db2.gz JDAXZVNRGGUETM-UHFFFAOYSA-N 0 3 259.353 2.375 20 10 CECDHN Cc1c(O)ccc(CN(C)Cc2ccncc2)c1O ZINC001140742729 816339162 /nfs/dbraw/zinc/33/91/62/816339162.db2.gz WWLBPZDQBKDBLZ-UHFFFAOYSA-N 0 3 258.321 2.433 20 10 CECDHN Cc1ccc(C[N@@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001140948110 816422255 /nfs/dbraw/zinc/42/22/55/816422255.db2.gz UBJNPLKAPHNYSM-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN Cc1ccc(C[N@H+]2CCC[C@](F)(CO)CC2)c([O-])c1 ZINC001140948110 816422260 /nfs/dbraw/zinc/42/22/60/816422260.db2.gz UBJNPLKAPHNYSM-OAHLLOKOSA-N 0 3 267.344 2.387 20 10 CECDHN CC[N@H+](CCn1ccnc1)Cc1ccc(C)cc1[O-] ZINC001140953853 816423287 /nfs/dbraw/zinc/42/32/87/816423287.db2.gz HXYNXCRETXGNST-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN CC[N@@H+](CCn1ccnc1)Cc1ccc(C)cc1[O-] ZINC001140953853 816423290 /nfs/dbraw/zinc/42/32/90/816423290.db2.gz HXYNXCRETXGNST-UHFFFAOYSA-N 0 3 259.353 2.419 20 10 CECDHN Cc1ccc(CN2CCN(c3cc(C)ncn3)CC2)c(O)c1 ZINC001140954692 816424428 /nfs/dbraw/zinc/42/44/28/816424428.db2.gz WHXDTPIGIOPJEO-UHFFFAOYSA-N 0 3 298.390 2.121 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@@H]2OC)cc1 ZINC000839193567 816569166 /nfs/dbraw/zinc/56/91/66/816569166.db2.gz SBPGNTXZLMMKTN-CVEARBPZSA-N 0 3 278.396 2.036 20 10 CECDHN CCC1(CO)CC[NH+](Cc2cccc(OC)c2[O-])CC1 ZINC000093592230 344227003 /nfs/dbraw/zinc/22/70/03/344227003.db2.gz PMZZFRBDHLKPNS-UHFFFAOYSA-N 0 3 279.380 2.385 20 10 CECDHN CN(Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000161794574 344465292 /nfs/dbraw/zinc/46/52/92/344465292.db2.gz JKVJEIUXEGUAFE-KRWDZBQOSA-N 0 3 290.407 2.134 20 10 CECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)c1 ZINC000113338320 364889325 /nfs/dbraw/zinc/88/93/25/364889325.db2.gz CZSUDSQLOSAXHF-OAHLLOKOSA-N 0 3 298.390 2.249 20 10 CECDHN CCN(CC)c1ccc(CN[C@H](C)C[S@@](C)=O)cc1 ZINC000168215994 367349916 /nfs/dbraw/zinc/34/99/16/367349916.db2.gz GLUYKHMCAPUWFL-YJYMSZOUSA-N 0 3 282.453 2.389 20 10 CECDHN COc1ccc(O)c(CN2CCSC[C@H]2C)c1 ZINC000180246481 368375252 /nfs/dbraw/zinc/37/52/52/368375252.db2.gz CFUVVPDGOMTVAM-SNVBAGLBSA-N 0 3 253.367 2.338 20 10 CECDHN CC[C@H](NCC(=O)NCC1CC1)c1ccc(N(C)C)cc1 ZINC000181290703 368440409 /nfs/dbraw/zinc/44/04/09/368440409.db2.gz QYXSHEHBVDVWSB-INIZCTEOSA-N 0 3 289.423 2.320 20 10 CECDHN C[N@H+](CCc1ccncc1)Cc1cc2c(cc1[O-])OCO2 ZINC000183760244 368647995 /nfs/dbraw/zinc/64/79/95/368647995.db2.gz LQUMJEIQFSWTAU-UHFFFAOYSA-N 0 3 286.331 2.190 20 10 CECDHN C[N@@H+](CCc1ccncc1)Cc1cc2c(cc1[O-])OCO2 ZINC000183760244 368648000 /nfs/dbraw/zinc/64/80/00/368648000.db2.gz LQUMJEIQFSWTAU-UHFFFAOYSA-N 0 3 286.331 2.190 20 10 CECDHN Cc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c([O-])c1 ZINC000185179561 368761994 /nfs/dbraw/zinc/76/19/94/368761994.db2.gz UKKIMWYERLKQOO-VIFPVBQESA-N 0 3 290.285 2.030 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC000185375761 368799935 /nfs/dbraw/zinc/79/99/35/368799935.db2.gz XOCRHWQWKABQPJ-SOUVJXGZSA-N 0 3 292.423 2.460 20 10 CECDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000188045389 369282826 /nfs/dbraw/zinc/28/28/26/369282826.db2.gz IDLDYZRNTCGIPX-SNVBAGLBSA-N 0 3 284.787 2.310 20 10 CECDHN COC(=O)[C@H]1CCN(Cc2cccc(OC)c2O)C[C@H]1C ZINC000188121855 369301179 /nfs/dbraw/zinc/30/11/79/369301179.db2.gz MZRWIYFWOFVVNW-YPMHNXCESA-N 0 3 293.363 2.032 20 10 CECDHN CC(C)(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609354 370348533 /nfs/dbraw/zinc/34/85/33/370348533.db2.gz MHVVCAMFGAEVOU-GFCCVEGCSA-N 0 3 255.333 2.418 20 10 CECDHN CCN(C)C(=O)[C@@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000188502430 284302574 /nfs/dbraw/zinc/30/25/74/284302574.db2.gz BRYGQEDPEXJTRT-CHWSQXEVSA-N 0 3 277.412 2.270 20 10 CECDHN CCOc1cccc(CNC[C@@](C)(O)C(F)(F)F)c1O ZINC000270547466 372836548 /nfs/dbraw/zinc/83/65/48/372836548.db2.gz LFTWNYQDCWDPLK-GFCCVEGCSA-N 0 3 293.285 2.194 20 10 CECDHN CCC1(O)CCN(Cc2cc(OC)c(OC)cc2O)CC1 ZINC000271091812 373115349 /nfs/dbraw/zinc/11/53/49/373115349.db2.gz LFPDYFQPGMEYQG-UHFFFAOYSA-N 0 3 295.379 2.146 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCc3nc[nH]c3C2)c1 ZINC000368102825 373219785 /nfs/dbraw/zinc/21/97/85/373219785.db2.gz QAHYOHIDGKPKSX-MNOVXSKESA-N 0 3 287.363 2.332 20 10 CECDHN COCCN1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c(C)c2[O-])C1 ZINC000273567924 373765488 /nfs/dbraw/zinc/76/54/88/373765488.db2.gz JYPVYINEVGVRGN-GJZGRUSLSA-N 0 3 292.423 2.380 20 10 CECDHN COCCOCCOCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000274543490 373957293 /nfs/dbraw/zinc/95/72/93/373957293.db2.gz CQYYWIWCIWAPFI-CQSZACIVSA-N 0 3 297.395 2.113 20 10 CECDHN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890910 374635148 /nfs/dbraw/zinc/63/51/48/374635148.db2.gz FFRGXWZCBJFGMW-RISCZKNCSA-N 0 3 292.354 2.022 20 10 CECDHN O=C1C[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2[O-])CN1 ZINC000374890910 374635152 /nfs/dbraw/zinc/63/51/52/374635152.db2.gz FFRGXWZCBJFGMW-RISCZKNCSA-N 0 3 292.354 2.022 20 10 CECDHN CCOc1cccc(CN2CCC[C@H]3COC[C@H]32)c1O ZINC000375707275 374671983 /nfs/dbraw/zinc/67/19/83/374671983.db2.gz XYTMMMKUBNJNRS-UONOGXRCSA-N 0 3 277.364 2.402 20 10 CECDHN C[C@@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccccc1[O-] ZINC000281125098 375356743 /nfs/dbraw/zinc/35/67/43/375356743.db2.gz SOPYOABRXSYZAR-ADLMAVQZSA-N 0 3 267.394 2.344 20 10 CECDHN CC[C@@H]1CN(Cc2cc(OC)c(OC)cc2O)CCCO1 ZINC000281276183 375369227 /nfs/dbraw/zinc/36/92/27/375369227.db2.gz OCAFCQFGHSVBNS-CYBMUJFWSA-N 0 3 295.379 2.410 20 10 CECDHN CCCC[N@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000282548911 375515254 /nfs/dbraw/zinc/51/52/54/375515254.db2.gz WWMOBZZFYRQCJC-UHFFFAOYSA-N 0 3 292.423 2.327 20 10 CECDHN CCCC[N@@H+](CCN1CCOCC1)Cc1ccccc1[O-] ZINC000282548911 375515259 /nfs/dbraw/zinc/51/52/59/375515259.db2.gz WWMOBZZFYRQCJC-UHFFFAOYSA-N 0 3 292.423 2.327 20 10 CECDHN COc1cccc(CN[C@@H]2CCCc3nn(C)cc32)c1O ZINC000283061172 375647136 /nfs/dbraw/zinc/64/71/36/375647136.db2.gz TYUVPOQEHTVDCO-CYBMUJFWSA-N 0 3 287.363 2.302 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CSC2(C)C)c1 ZINC000283126744 375660621 /nfs/dbraw/zinc/66/06/21/375660621.db2.gz VSWYILHWGLKAKR-GFCCVEGCSA-N 0 3 253.367 2.384 20 10 CECDHN COC(=O)c1cc(C[NH2+]Cc2ccccc2[O-])n(C)c1C ZINC000291103546 377071903 /nfs/dbraw/zinc/07/19/03/377071903.db2.gz BEKNQMWETRMOSB-UHFFFAOYSA-N 0 3 288.347 2.116 20 10 CECDHN CCC[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000293823468 377774756 /nfs/dbraw/zinc/77/47/56/377774756.db2.gz ZXURKSJSDYYDIN-ZDUSSCGKSA-N 0 3 253.342 2.306 20 10 CECDHN Cc1cc(CN(C)[C@@H](C)C[S@@](C)=O)ccc1N(C)C ZINC000294751506 378017320 /nfs/dbraw/zinc/01/73/20/378017320.db2.gz XRDAQTIXPXUOCJ-ORAYPTAESA-N 0 3 282.453 2.260 20 10 CECDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])[C@H](O)C(F)F ZINC000294989579 378033983 /nfs/dbraw/zinc/03/39/83/378033983.db2.gz HIMCAUZCVNQYBX-PWSUYJOCSA-N 0 3 259.296 2.195 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c1[O-] ZINC000295114503 378043095 /nfs/dbraw/zinc/04/30/95/378043095.db2.gz VMIRZGOQLDXSBO-GWCFXTLKSA-N 0 3 289.322 2.285 20 10 CECDHN Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC(O)CC2)c([O-])c1 ZINC000296092759 378415843 /nfs/dbraw/zinc/41/58/43/378415843.db2.gz YGWPYZQOKCIMNU-AWEZNQCLSA-N 0 3 292.423 2.116 20 10 CECDHN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000296258696 378468339 /nfs/dbraw/zinc/46/83/39/378468339.db2.gz BNUZYGDGHGSDHP-XQQFMLRXSA-N 0 3 275.348 2.311 20 10 CECDHN O=C1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C2(CCC2)N1 ZINC000296299595 378482950 /nfs/dbraw/zinc/48/29/50/378482950.db2.gz DOJKPZLYZKAWPW-OCCSQVGLSA-N 0 3 286.375 2.170 20 10 CECDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C(F)(F)F ZINC000296964110 378659966 /nfs/dbraw/zinc/65/99/66/378659966.db2.gz RFYNVYBQGPFQQR-BXKDBHETSA-N 0 3 275.270 2.282 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000228670940 394476431 /nfs/dbraw/zinc/47/64/31/394476431.db2.gz SPPVDJZQYBLEKM-JTQLQIEISA-N 0 3 295.770 2.429 20 10 CECDHN CCOC[C@@H](O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000265062959 394644461 /nfs/dbraw/zinc/64/44/61/394644461.db2.gz ZFQQMBOEDYVVFQ-KRWDZBQOSA-N 0 3 292.423 2.114 20 10 CECDHN CC(C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C ZINC000106460897 394724965 /nfs/dbraw/zinc/72/49/65/394724965.db2.gz JIIXIUHFSUGNSF-OAHLLOKOSA-N 0 3 295.402 2.094 20 10 CECDHN CSC[C@@](C)(O)CNCc1ccc(N(C)C)c(F)c1 ZINC000120671403 394781914 /nfs/dbraw/zinc/78/19/14/394781914.db2.gz UYVQKPFRJRYYCI-AWEZNQCLSA-N 0 3 286.416 2.095 20 10 CECDHN Cc1cc([O-])c(C[NH+]2CCC(n3cncn3)CC2)cc1C ZINC000152052110 394984882 /nfs/dbraw/zinc/98/48/82/394984882.db2.gz XDRZUUMFBZPNHH-UHFFFAOYSA-N 0 3 286.379 2.438 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000368134291 394979365 /nfs/dbraw/zinc/97/93/65/394979365.db2.gz LOZWOGXCEDREFR-ZDUSSCGKSA-N 0 3 287.363 2.124 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H](c3nccn3C)C2)c1[O-] ZINC000368134291 394979368 /nfs/dbraw/zinc/97/93/68/394979368.db2.gz LOZWOGXCEDREFR-ZDUSSCGKSA-N 0 3 287.363 2.124 20 10 CECDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCSC2)c1 ZINC000164751967 395086108 /nfs/dbraw/zinc/08/61/08/395086108.db2.gz AHNMZCNCDCVGHJ-NSHDSACASA-N 0 3 253.367 2.386 20 10 CECDHN CC[C@@H](N[C@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000177874436 395158661 /nfs/dbraw/zinc/15/86/61/395158661.db2.gz XQXTVNCGSRXIQD-CVEARBPZSA-N 0 3 289.423 2.462 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2n[nH]c(C3CC3)n2)c1 ZINC000182894730 395249787 /nfs/dbraw/zinc/24/97/87/395249787.db2.gz ASTVTKHCPVVKPY-VIFPVBQESA-N 0 3 288.351 2.247 20 10 CECDHN Cc1cc(CN(C)[C@H](C)C[S@@](C)=O)ccc1N(C)C ZINC000294751494 395277613 /nfs/dbraw/zinc/27/76/13/395277613.db2.gz XRDAQTIXPXUOCJ-BFUOFWGJSA-N 0 3 282.453 2.260 20 10 CECDHN CCOc1cccc(CN2CC3(C2)CCOC3)c1O ZINC000293868231 395255242 /nfs/dbraw/zinc/25/52/42/395255242.db2.gz CKFDRQWRVDVJLV-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)c1ccccc1[O-] ZINC000183862854 395265115 /nfs/dbraw/zinc/26/51/15/395265115.db2.gz AKEGKOYMPMGIPQ-ZMNCSTGQSA-N 0 3 255.383 2.200 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000035628870 172307768 /nfs/dbraw/zinc/30/77/68/172307768.db2.gz IDLOKMCWBDKNIF-AWEZNQCLSA-N 0 3 278.396 2.074 20 10 CECDHN COC(=O)CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000037416898 173194171 /nfs/dbraw/zinc/19/41/71/173194171.db2.gz IBSPRCDUNNOARY-JTQLQIEISA-N 0 3 267.325 2.005 20 10 CECDHN Cc1c2ccccc2n(C)c1CNC(=O)CN(C)C(C)C ZINC000352134798 228186897 /nfs/dbraw/zinc/18/68/97/228186897.db2.gz LIAVMVYIRNVFDX-UHFFFAOYSA-N 0 3 287.407 2.443 20 10 CECDHN COc1ccc(CN[C@H](C)[C@H](CO)SC)cc1C ZINC000219070658 419462870 /nfs/dbraw/zinc/46/28/70/419462870.db2.gz MJDOZKVMJSMPLJ-RISCZKNCSA-N 0 3 269.410 2.206 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000219906359 260068851 /nfs/dbraw/zinc/06/88/51/260068851.db2.gz BZXDEKKCUYKNKM-WCQYABFASA-N 0 3 265.353 2.448 20 10 CECDHN CC1(C)CN(Cc2cc3c(cc2O)OCO3)CCCO1 ZINC000313237953 260270031 /nfs/dbraw/zinc/27/00/31/260270031.db2.gz UVJUPPWAIHFSNW-UHFFFAOYSA-N 0 3 279.336 2.122 20 10 CECDHN CC1(C)C[N@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000313237953 260270033 /nfs/dbraw/zinc/27/00/33/260270033.db2.gz UVJUPPWAIHFSNW-UHFFFAOYSA-N 0 3 279.336 2.122 20 10 CECDHN CC1(C)C[N@@H+](Cc2cc3c(cc2[O-])OCO3)CCCO1 ZINC000313237953 260270034 /nfs/dbraw/zinc/27/00/34/260270034.db2.gz UVJUPPWAIHFSNW-UHFFFAOYSA-N 0 3 279.336 2.122 20 10 CECDHN C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(O)c1[O-] ZINC000126209094 260347018 /nfs/dbraw/zinc/34/70/18/260347018.db2.gz CCBAXFVCWISDJD-LBPRGKRZSA-N 0 3 292.379 2.092 20 10 CECDHN C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(O)c1[O-] ZINC000126209094 260347021 /nfs/dbraw/zinc/34/70/21/260347021.db2.gz CCBAXFVCWISDJD-LBPRGKRZSA-N 0 3 292.379 2.092 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050585 261152824 /nfs/dbraw/zinc/15/28/24/261152824.db2.gz HRSKWOYHYXLUSD-RYUDHWBXSA-N 0 3 265.328 2.390 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050585 261152825 /nfs/dbraw/zinc/15/28/25/261152825.db2.gz HRSKWOYHYXLUSD-RYUDHWBXSA-N 0 3 265.328 2.390 20 10 CECDHN COc1cc(O)c(CN2CCC[C@H](OC)C2)cc1OC ZINC000160125510 261206203 /nfs/dbraw/zinc/20/62/03/261206203.db2.gz PSVCUJUWSIJMGK-LBPRGKRZSA-N 0 3 281.352 2.020 20 10 CECDHN COCCN1CCC([NH2+][C@@H](C)c2cc(C)ccc2[O-])CC1 ZINC000185144791 262043492 /nfs/dbraw/zinc/04/34/92/262043492.db2.gz GLXROUHJKQIRHZ-AWEZNQCLSA-N 0 3 292.423 2.462 20 10 CECDHN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2[O-])C1 ZINC000186109435 262080227 /nfs/dbraw/zinc/08/02/27/262080227.db2.gz LVNIOANKYQMDTD-QWHCGFSZSA-N 0 3 291.395 2.155 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCC(=O)N(C)C)c1 ZINC000185193972 262302104 /nfs/dbraw/zinc/30/21/04/262302104.db2.gz CJDXDDNFSSXVLM-GFCCVEGCSA-N 0 3 264.369 2.220 20 10 CECDHN CN(C[C@H](O)COc1ccc(N2CCCC2)cc1)C1CC1 ZINC000290851474 263118833 /nfs/dbraw/zinc/11/88/33/263118833.db2.gz XLFGJYHMCCELID-INIZCTEOSA-N 0 3 290.407 2.121 20 10 CECDHN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584440 263199281 /nfs/dbraw/zinc/19/92/81/263199281.db2.gz NAPLMFIRRMCRLE-LBPRGKRZSA-N 0 3 266.360 2.495 20 10 CECDHN CCOc1cccc(C[NH2+]CC[C@H](O)CC)c1[O-] ZINC000127403379 264257696 /nfs/dbraw/zinc/25/76/96/264257696.db2.gz CAUXUSUHIGOZKK-GFCCVEGCSA-N 0 3 253.342 2.042 20 10 CECDHN Cn1cc(C[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)cn1 ZINC000367440848 267089941 /nfs/dbraw/zinc/08/99/41/267089941.db2.gz LWEGPIUGHDRDBP-ZDUSSCGKSA-N 0 3 271.364 2.190 20 10 CECDHN Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)cn1 ZINC000367440848 267089945 /nfs/dbraw/zinc/08/99/45/267089945.db2.gz LWEGPIUGHDRDBP-ZDUSSCGKSA-N 0 3 271.364 2.190 20 10 CECDHN CCOc1ccc(O)c(CN2CCOCC[C@H]2C)c1 ZINC000367703891 267110709 /nfs/dbraw/zinc/11/07/09/267110709.db2.gz JPDBMLLOIDVVGF-GFCCVEGCSA-N 0 3 265.353 2.402 20 10 CECDHN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(F)ccc1[O-] ZINC000368328704 267163296 /nfs/dbraw/zinc/16/32/96/267163296.db2.gz AFKYMBMTESSQJD-BQSGVUBFSA-N 0 3 292.354 2.191 20 10 CECDHN CN(C)c1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000368520136 267179610 /nfs/dbraw/zinc/17/96/10/267179610.db2.gz STFKIRRVRGCMDC-GOEBONIOSA-N 0 3 260.381 2.363 20 10 CECDHN Cc1cc([O-])c(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)cc1C ZINC000369227092 267228076 /nfs/dbraw/zinc/22/80/76/267228076.db2.gz XWROIYWJLRYCCN-LSDHHAIUSA-N 0 3 288.391 2.252 20 10 CECDHN CC[C@H](c1ccccc1[O-])[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000369930737 267277094 /nfs/dbraw/zinc/27/70/94/267277094.db2.gz OOQCIIUEZZYISJ-CQSZACIVSA-N 0 3 288.391 2.445 20 10 CECDHN COc1cc(Cl)cc(CN[C@H]2CC[NH2+]C23CCC3)c1[O-] ZINC000530179299 313280741 /nfs/dbraw/zinc/28/07/41/313280741.db2.gz SKKWZARDAMZDEE-ZDUSSCGKSA-N 0 3 296.798 2.428 20 10 CECDHN C[C@@H]([NH2+][C@H](C)[C@@H](C)N1CCOCC1)c1cc(F)ccc1[O-] ZINC000185376574 327839231 /nfs/dbraw/zinc/83/92/31/327839231.db2.gz YGBFPSJMJKAGQU-JHJVBQTASA-N 0 3 296.386 2.291 20 10 CECDHN CCC[C@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000293537169 328101246 /nfs/dbraw/zinc/10/12/46/328101246.db2.gz AHTNWNXEWFMXTG-GFCCVEGCSA-N 0 3 253.342 2.306 20 10 CECDHN Cc1ccc([O-])c(C[NH2+]CCNC(=O)OC(C)(C)C)c1 ZINC000083454461 326936643 /nfs/dbraw/zinc/93/66/43/326936643.db2.gz HKUICPHOARYHEN-UHFFFAOYSA-N 0 3 280.368 2.315 20 10 CECDHN COc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000289514142 327408686 /nfs/dbraw/zinc/40/86/86/327408686.db2.gz IGROEFQNQZZVPN-CYBMUJFWSA-N 0 3 265.353 2.042 20 10 CECDHN CCC[C@@]1(CO)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377835234 329031018 /nfs/dbraw/zinc/03/10/18/329031018.db2.gz RYHFYDRRRZUHJP-MRXNPFEDSA-N 0 3 293.363 2.105 20 10 CECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000377835234 329031020 /nfs/dbraw/zinc/03/10/20/329031020.db2.gz RYHFYDRRRZUHJP-MRXNPFEDSA-N 0 3 293.363 2.105 20 10 CECDHN Cn1ccnc1[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377881911 329033129 /nfs/dbraw/zinc/03/31/29/329033129.db2.gz AWGPCVGKHGSTRI-LLVKDONJSA-N 0 3 275.327 2.254 20 10 CECDHN Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000377881911 329033130 /nfs/dbraw/zinc/03/31/30/329033130.db2.gz AWGPCVGKHGSTRI-LLVKDONJSA-N 0 3 275.327 2.254 20 10 CECDHN CC(C)[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000378140096 329041124 /nfs/dbraw/zinc/04/11/24/329041124.db2.gz YNXMQFBAYJWPRW-HNNXBMFYSA-N 0 3 267.344 2.372 20 10 CECDHN CC(C)[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000378140096 329041122 /nfs/dbraw/zinc/04/11/22/329041122.db2.gz YNXMQFBAYJWPRW-HNNXBMFYSA-N 0 3 267.344 2.372 20 10 CECDHN Cc1cccc(C[N@@H+]2CCCN(c3ncccn3)CC2)c1[O-] ZINC000378440152 329050335 /nfs/dbraw/zinc/05/03/35/329050335.db2.gz ZTFUBFIOLMCMDM-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1cccc(C[N@H+]2CCCN(c3ncccn3)CC2)c1[O-] ZINC000378440152 329050336 /nfs/dbraw/zinc/05/03/36/329050336.db2.gz ZTFUBFIOLMCMDM-UHFFFAOYSA-N 0 3 298.390 2.203 20 10 CECDHN Cc1cccc(C[NH2+][C@H]2CCCN(c3ccncn3)C2)c1[O-] ZINC000378457124 329051540 /nfs/dbraw/zinc/05/15/40/329051540.db2.gz PXTJKSGYCJWIDK-HNNXBMFYSA-N 0 3 298.390 2.249 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168841743 329059838 /nfs/dbraw/zinc/05/98/38/329059838.db2.gz DJEMVQXTELVNAJ-JJQCHNSYSA-N 0 3 273.373 2.339 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000169087436 329063681 /nfs/dbraw/zinc/06/36/81/329063681.db2.gz RWMWYSBMHKHQRO-LLVKDONJSA-N 0 3 273.760 2.161 20 10 CECDHN Cc1cccc(C[NH+]2CCC(n3cncn3)CC2)c1[O-] ZINC000179902233 329213210 /nfs/dbraw/zinc/21/32/10/329213210.db2.gz MTXPPEGUHSNSRP-UHFFFAOYSA-N 0 3 272.352 2.129 20 10 CECDHN CCOc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c([O-])c1 ZINC000527765595 330281706 /nfs/dbraw/zinc/28/17/06/330281706.db2.gz JNEZVZNARJTOJX-WBMJQRKESA-N 0 3 277.364 2.448 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCC[C@@H](C)CO)c1 ZINC000230669729 333320243 /nfs/dbraw/zinc/32/02/43/333320243.db2.gz FCCDDBYQABVROY-NEPJUHHUSA-N 0 3 267.369 2.460 20 10 CECDHN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(F)ccc1[O-] ZINC000251791526 334369790 /nfs/dbraw/zinc/36/97/90/334369790.db2.gz VZBKCRZSEROYNE-UBHSHLNASA-N 0 3 294.370 2.045 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000252566747 334382720 /nfs/dbraw/zinc/38/27/20/334382720.db2.gz ZVOGOFMNQMJISF-SOUVJXGZSA-N 0 3 290.407 2.214 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H](C[NH+](C)C)C2)c1[O-] ZINC000079435161 518287844 /nfs/dbraw/zinc/28/78/44/518287844.db2.gz LUIZXYUNMCOJOV-LBPRGKRZSA-N 0 3 294.370 2.117 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+]CC[C@@H](C)OC)c1 ZINC000263844101 521152594 /nfs/dbraw/zinc/15/25/94/521152594.db2.gz ZGYNEWUOZHLULQ-LLVKDONJSA-N 0 3 253.342 2.306 20 10 CECDHN CCOc1cccc(CN2C[C@@H](C)N(C)[C@@H](C)C2)c1O ZINC000141908268 521346508 /nfs/dbraw/zinc/34/65/08/521346508.db2.gz QCOWIXQYAGAYRH-BETUJISGSA-N 0 3 278.396 2.315 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1[O-] ZINC000289799756 521374123 /nfs/dbraw/zinc/37/41/23/521374123.db2.gz MCSIHBVNVZINBQ-MNOVXSKESA-N 0 3 253.342 2.304 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1[O-] ZINC000289799755 521374853 /nfs/dbraw/zinc/37/48/53/521374853.db2.gz MCSIHBVNVZINBQ-GHMZBOCLSA-N 0 3 253.342 2.304 20 10 CECDHN CCOc1cccc(C[NH2+][C@H](COC)[C@H]2CCCO2)c1[O-] ZINC000278604507 521376383 /nfs/dbraw/zinc/37/63/83/521376383.db2.gz ICLJSEJQRKOOQR-ZIAGYGMSSA-N 0 3 295.379 2.075 20 10 CECDHN CCOc1cccc(CN[C@H](COC)[C@H]2CCCO2)c1O ZINC000278604507 521376388 /nfs/dbraw/zinc/37/63/88/521376388.db2.gz ICLJSEJQRKOOQR-ZIAGYGMSSA-N 0 3 295.379 2.075 20 10 CECDHN CCNC(=O)[C@@H](C)N[C@H](C)c1cc2c(cc1O)CCCC2 ZINC000273392034 521743662 /nfs/dbraw/zinc/74/36/62/521743662.db2.gz LBFPGJGANNTBTL-VXGBXAGGSA-N 0 3 290.407 2.446 20 10 CECDHN CN(C)c1ccc(CN(C)CCCCO)cc1F ZINC000276742123 522168338 /nfs/dbraw/zinc/16/83/38/522168338.db2.gz ZIQPHENRPBGYOK-UHFFFAOYSA-N 0 3 254.349 2.096 20 10 CECDHN CN(C)c1ccc(CNC(=O)CN(C)C2CCCC2)cc1 ZINC000280371137 522188003 /nfs/dbraw/zinc/18/80/03/522188003.db2.gz UULJBRIWUGGLJL-UHFFFAOYSA-N 0 3 289.423 2.243 20 10 CECDHN CC[C@H]([NH2+]CCS(=O)(=O)CC)c1ccc(C)cc1[O-] ZINC000280089831 522596581 /nfs/dbraw/zinc/59/65/81/522596581.db2.gz MGZATEOEHAZFKE-ZDUSSCGKSA-N 0 3 285.409 2.176 20 10 CECDHN C[N@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1COC[C@H]1O ZINC000289832161 523158983 /nfs/dbraw/zinc/15/89/83/523158983.db2.gz UIBRYUNGWOBKEL-SJLPKXTDSA-N 0 3 299.370 2.251 20 10 CECDHN C[N@@H+](Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1COC[C@H]1O ZINC000289832161 523158996 /nfs/dbraw/zinc/15/89/96/523158996.db2.gz UIBRYUNGWOBKEL-SJLPKXTDSA-N 0 3 299.370 2.251 20 10 CECDHN COCCOCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000044694088 524011306 /nfs/dbraw/zinc/01/13/06/524011306.db2.gz NZBVENKEQZHFFI-GFCCVEGCSA-N 0 3 253.342 2.014 20 10 CECDHN C[C@@H](C(=O)NCc1ccccc1O)N1[C@H](C)CC[C@H]1C ZINC000263696158 524216486 /nfs/dbraw/zinc/21/64/86/524216486.db2.gz NLOMJAQNUFAERQ-UPJWGTAASA-N 0 3 276.380 2.270 20 10 CECDHN C[C@H](CC[S@](C)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000252819196 524228261 /nfs/dbraw/zinc/22/82/61/524228261.db2.gz MTLSXTRHMBKFLG-AGKHESDQSA-N 0 3 255.383 2.200 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291334932 524732390 /nfs/dbraw/zinc/73/23/90/524732390.db2.gz VCZPZUHOWAAFHV-CYBMUJFWSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C(C)C)[C@@H]2CCOC2)c1 ZINC000291334932 524732397 /nfs/dbraw/zinc/73/23/97/524732397.db2.gz VCZPZUHOWAAFHV-CYBMUJFWSA-N 0 3 265.353 2.400 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(O)CCCCC2)c1 ZINC000087016963 524749621 /nfs/dbraw/zinc/74/96/21/524749621.db2.gz UXLIHNNCNFZKBI-UHFFFAOYSA-N 0 3 265.353 2.186 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)c2ccc(F)cc2)c1 ZINC000278677242 524751961 /nfs/dbraw/zinc/75/19/61/524751961.db2.gz LZWRBJWVXUZUFT-INIZCTEOSA-N 0 3 291.322 2.363 20 10 CECDHN Cc1ccc([O-])c(C[N@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000279327213 525340540 /nfs/dbraw/zinc/34/05/40/525340540.db2.gz CSZPBAGPFOJYOC-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+](C)CCN2CCOC(C)(C)C2)c1 ZINC000279327213 525340544 /nfs/dbraw/zinc/34/05/44/525340544.db2.gz CSZPBAGPFOJYOC-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1ccc(O)c(CN(C)CCN2CCOC(C)(C)C2)c1 ZINC000279327213 525340547 /nfs/dbraw/zinc/34/05/47/525340547.db2.gz CSZPBAGPFOJYOC-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1ccc(O)c(CN2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000291028388 525340748 /nfs/dbraw/zinc/34/07/48/525340748.db2.gz BBDTXAPKIAGHQU-GFCCVEGCSA-N 0 3 271.307 2.150 20 10 CECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000044495342 525446764 /nfs/dbraw/zinc/44/67/64/525446764.db2.gz NRFKHBXXEQWOAV-LBPRGKRZSA-N 0 3 258.369 2.337 20 10 CECDHN C[C@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(F)ccc1[O-] ZINC000297368734 525608751 /nfs/dbraw/zinc/60/87/51/525608751.db2.gz QJWOIDKDPUYRDD-JSGCOSHPSA-N 0 3 296.386 2.029 20 10 CECDHN C[C@@H](N[C@@H]1CCCCNC1=O)c1ccc(N(C)C)cc1 ZINC000037282685 525633761 /nfs/dbraw/zinc/63/37/61/525633761.db2.gz VPZRJARNOYWIMO-IUODEOHRSA-N 0 3 275.396 2.072 20 10 CECDHN COc1cccc(C[N@@H+]2CCC23CCOCC3)c1[O-] ZINC000365830922 525935441 /nfs/dbraw/zinc/93/54/41/525935441.db2.gz KXXIFAMNWSQEAQ-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN COc1cccc(C[N@H+]2CCC23CCOCC3)c1[O-] ZINC000365830922 525935448 /nfs/dbraw/zinc/93/54/48/525935448.db2.gz KXXIFAMNWSQEAQ-UHFFFAOYSA-N 0 3 263.337 2.156 20 10 CECDHN [O-]c1ccccc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000020146614 526371496 /nfs/dbraw/zinc/37/14/96/526371496.db2.gz CASDELMNIAESFV-AWEZNQCLSA-N 0 3 265.353 2.068 20 10 CECDHN CCC[NH+]1CCC(NC(=O)c2cc([O-])cs2)CC1 ZINC000731866203 574604273 /nfs/dbraw/zinc/60/42/73/574604273.db2.gz ZZPQVPJSWRDRFU-UHFFFAOYSA-N 0 3 268.382 2.058 20 10 CECDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCOC1 ZINC000732203617 574614616 /nfs/dbraw/zinc/61/46/16/574614616.db2.gz YYGINVANUUEGCA-GOEBONIOSA-N 0 3 291.391 2.410 20 10 CECDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCOC1 ZINC000732203617 574614618 /nfs/dbraw/zinc/61/46/18/574614618.db2.gz YYGINVANUUEGCA-GOEBONIOSA-N 0 3 291.391 2.410 20 10 CECDHN CCOc1ccc(C[NH2+]C(CC)(CC)CO)c([O-])c1 ZINC000734843222 574731670 /nfs/dbraw/zinc/73/16/70/574731670.db2.gz HCWOGZRQERCKMR-UHFFFAOYSA-N 0 3 267.369 2.432 20 10 CECDHN CCC(=O)N1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000742218796 575011538 /nfs/dbraw/zinc/01/15/38/575011538.db2.gz ILXQNSQVZCBZDK-UHFFFAOYSA-N 0 3 276.380 2.191 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@](C)(O)c2ccco2)c([O-])c1 ZINC000742375770 575017854 /nfs/dbraw/zinc/01/78/54/575017854.db2.gz VVYPBHATWNOSKE-INIZCTEOSA-N 0 3 291.347 2.381 20 10 CECDHN C[C@H](O)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743510947 575105578 /nfs/dbraw/zinc/10/55/78/575105578.db2.gz BFYVODTZIYWFHS-LBPRGKRZSA-N 0 3 293.367 2.056 20 10 CECDHN COC1CCC(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000749923699 575240202 /nfs/dbraw/zinc/24/02/02/575240202.db2.gz ZEJQAJGTCRGOSL-UHFFFAOYSA-N 0 3 293.363 2.416 20 10 CECDHN C[NH2+]C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000310341898 625481094 /nfs/dbraw/zinc/48/10/94/625481094.db2.gz ODMXJPLTPUDXJL-UHFFFAOYSA-N 0 3 254.761 2.229 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])cc1O ZINC000083431963 623218848 /nfs/dbraw/zinc/21/88/48/623218848.db2.gz ANTHRNWYOWOEIF-UHFFFAOYSA-N 0 3 259.305 2.396 20 10 CECDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(F)F)N(C)C)cc1 ZINC000891250225 623327444 /nfs/dbraw/zinc/32/74/44/623327444.db2.gz VJLUJFMEWUYVNN-CYBMUJFWSA-N 0 3 299.365 2.127 20 10 CECDHN COc1cccc2c1OC[C@H]([NH2+]Cc1ccccc1[O-])C2 ZINC000077412392 623680545 /nfs/dbraw/zinc/68/05/45/623680545.db2.gz MAUBMUCCGMATLG-CQSZACIVSA-N 0 3 285.343 2.494 20 10 CECDHN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(Cl)ccc1[O-] ZINC000083407787 623856179 /nfs/dbraw/zinc/85/61/79/623856179.db2.gz VJFTZCWYIRDLBS-VHSXEESVSA-N 0 3 254.761 2.228 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000310711647 625905267 /nfs/dbraw/zinc/90/52/67/625905267.db2.gz CTSJFYXOSZBHFK-GXFFZTMASA-N 0 3 253.317 2.172 20 10 CECDHN CCc1ncc(CNCc2cc(OC)ccc2O)cn1 ZINC000840899412 628163933 /nfs/dbraw/zinc/16/39/33/628163933.db2.gz WVIJXDIGEQWBAX-UHFFFAOYSA-N 0 3 273.336 2.043 20 10 CECDHN C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cc(F)ccc1[O-] ZINC000902469829 634686730 /nfs/dbraw/zinc/68/67/30/634686730.db2.gz RKVCOPRSLPMYJL-MWKLQFHZSA-N 0 3 250.317 2.075 20 10 CECDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000841692513 628922124 /nfs/dbraw/zinc/92/21/24/628922124.db2.gz RRWQGVNHONOLIZ-RSQPEXBXSA-N 0 3 277.364 2.294 20 10 CECDHN C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000841692513 628922126 /nfs/dbraw/zinc/92/21/26/628922126.db2.gz RRWQGVNHONOLIZ-RSQPEXBXSA-N 0 3 277.364 2.294 20 10 CECDHN CC[C@H]([NH2+]C[C@@H]1COCCO1)c1ccc(C)cc1[O-] ZINC000794798812 629323172 /nfs/dbraw/zinc/32/31/72/629323172.db2.gz YTKPCXNXOGTBKN-OCCSQVGLSA-N 0 3 265.353 2.157 20 10 CECDHN CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C)cc1[O-] ZINC000794809084 629326391 /nfs/dbraw/zinc/32/63/91/629326391.db2.gz QGEFLXLYNCWPQD-ZBFHGGJFSA-N 0 3 292.423 2.462 20 10 CECDHN COc1cc(C)cc(CNCc2cc(C)nn2C)c1O ZINC000894687700 629589185 /nfs/dbraw/zinc/58/91/85/629589185.db2.gz RHVIKGZECWNKMS-UHFFFAOYSA-N 0 3 275.352 2.041 20 10 CECDHN COc1cc(C)cc(CN[C@H](C)c2ccnn2C)c1O ZINC000895461815 630203268 /nfs/dbraw/zinc/20/32/68/630203268.db2.gz BLQROBLSMONBCY-LLVKDONJSA-N 0 3 275.352 2.294 20 10 CECDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785424 630343799 /nfs/dbraw/zinc/34/37/99/630343799.db2.gz QJMZHMLGYULMBX-UONOGXRCSA-N 0 3 293.338 2.342 20 10 CECDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCC3(C[C@@H]1F)OCCO3)C2 ZINC000895785424 630343802 /nfs/dbraw/zinc/34/38/02/630343802.db2.gz QJMZHMLGYULMBX-UONOGXRCSA-N 0 3 293.338 2.342 20 10 CECDHN CCOc1ccc(C[NH2+]CC2=CCOCC2)c([O-])c1 ZINC000824597837 635459970 /nfs/dbraw/zinc/45/99/70/635459970.db2.gz XSJUFTUAKBNSIS-UHFFFAOYSA-N 0 3 263.337 2.227 20 10 CECDHN [O-]c1ccccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173555 630970581 /nfs/dbraw/zinc/97/05/81/630970581.db2.gz WYAIVXIGDJKDSX-OAHLLOKOSA-N 0 3 291.391 2.146 20 10 CECDHN [O-]c1ccccc1C[N@@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173555 630970584 /nfs/dbraw/zinc/97/05/84/630970584.db2.gz WYAIVXIGDJKDSX-OAHLLOKOSA-N 0 3 291.391 2.146 20 10 CECDHN Cc1cc([O-])c(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1Cl ZINC000824948766 635529719 /nfs/dbraw/zinc/52/97/19/635529719.db2.gz GZDDCABDAKFLHE-TXEJJXNPSA-N 0 3 266.772 2.005 20 10 CECDHN C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc([O-])cs1 ZINC000807694567 631862844 /nfs/dbraw/zinc/86/28/44/631862844.db2.gz MUTWFBFRGYSXIJ-WDEREUQCSA-N 0 3 280.393 2.153 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230837 631938325 /nfs/dbraw/zinc/93/83/25/631938325.db2.gz RBAQYQOZOGFQKZ-MLGOLLRUSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC3)C1)[C@H](O)CO2 ZINC000808230837 631938329 /nfs/dbraw/zinc/93/83/29/631938329.db2.gz RBAQYQOZOGFQKZ-MLGOLLRUSA-N 0 3 289.375 2.440 20 10 CECDHN COc1cc(Cl)cc(C[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000898202422 632083666 /nfs/dbraw/zinc/08/36/66/632083666.db2.gz BDTXVPJQXFNHKF-GFCCVEGCSA-N 0 3 285.771 2.305 20 10 CECDHN CCN(C)c1ccc(CN(CCOC)[C@H]2CCOC2)cc1 ZINC000815104522 632960404 /nfs/dbraw/zinc/96/04/04/632960404.db2.gz MTPJBEVTSVPZRL-KRWDZBQOSA-N 0 3 292.423 2.380 20 10 CECDHN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826901930 635877042 /nfs/dbraw/zinc/87/70/42/635877042.db2.gz DWBNOXZEHFPZCC-GLQYFDAESA-N 0 3 297.370 2.187 20 10 CECDHN CN(C)C(=O)OC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000816654770 633458015 /nfs/dbraw/zinc/45/80/15/633458015.db2.gz XLTUZWIURIWMCQ-UHFFFAOYSA-N 0 3 296.342 2.194 20 10 CECDHN C[C@@H](NCc1ccc2c(c1)CCO2)c1cnccc1N ZINC000817902838 633763735 /nfs/dbraw/zinc/76/37/35/633763735.db2.gz ZDFQMUQPOCPGFO-LLVKDONJSA-N 0 3 269.348 2.280 20 10 CECDHN CNCC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817952546 633797328 /nfs/dbraw/zinc/79/73/28/633797328.db2.gz RPXAAVHWOBEGBG-QMMMGPOBSA-N 0 3 262.275 2.281 20 10 CECDHN C[NH2+]CCN[C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000817952546 633797330 /nfs/dbraw/zinc/79/73/30/633797330.db2.gz RPXAAVHWOBEGBG-QMMMGPOBSA-N 0 3 262.275 2.281 20 10 CECDHN C[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccc(F)cc1[O-] ZINC000817972629 633815304 /nfs/dbraw/zinc/81/53/04/633815304.db2.gz YUPWLFSBZGQKLI-NRUUGDAUSA-N 0 3 252.333 2.180 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3CC[C@]32C[NH3+])c1[O-] ZINC000903853977 635305261 /nfs/dbraw/zinc/30/52/61/635305261.db2.gz IDCUYGKVVHMFAO-LRDDRELGSA-N 0 3 292.354 2.047 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@]32C[NH3+])c1[O-] ZINC000903853979 635305473 /nfs/dbraw/zinc/30/54/73/635305473.db2.gz IDCUYGKVVHMFAO-MLGOLLRUSA-N 0 3 292.354 2.047 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@]23CC[NH2+]C3)c1[O-] ZINC000903864454 635313870 /nfs/dbraw/zinc/31/38/70/635313870.db2.gz VCJRNQADCHAGNN-MRXNPFEDSA-N 0 3 292.354 2.062 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1[O-] ZINC000824584264 635457703 /nfs/dbraw/zinc/45/77/03/635457703.db2.gz ZROUTIIPSNWWEM-GOEBONIOSA-N 0 3 292.423 2.280 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c([O-])c1 ZINC000824626017 635464385 /nfs/dbraw/zinc/46/43/85/635464385.db2.gz RUPDJYPURBWESJ-CQSZACIVSA-N 0 3 265.353 2.448 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H](C)CCCCO ZINC000824655680 635470927 /nfs/dbraw/zinc/47/09/27/635470927.db2.gz YTUXBNXDVGDEPH-LLVKDONJSA-N 0 3 253.342 2.042 20 10 CECDHN CC1(C)C[NH2+]C[C@H]1NCc1cc(Br)ccc1[O-] ZINC000904465329 635636366 /nfs/dbraw/zinc/63/63/66/635636366.db2.gz ZJUMZGVTTZLGIX-GFCCVEGCSA-N 0 3 299.212 2.242 20 10 CECDHN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826901928 635876564 /nfs/dbraw/zinc/87/65/64/635876564.db2.gz DWBNOXZEHFPZCC-DFBGVHRSSA-N 0 3 297.370 2.187 20 10 CECDHN CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000827152046 636237302 /nfs/dbraw/zinc/23/73/02/636237302.db2.gz PQHZXBHNKWSJOA-ATCWAGBWSA-N 0 3 279.380 2.240 20 10 CECDHN CCOc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000827152046 636237307 /nfs/dbraw/zinc/23/73/07/636237307.db2.gz PQHZXBHNKWSJOA-ATCWAGBWSA-N 0 3 279.380 2.240 20 10 CECDHN COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])cccc2OC)C[C@@H]1C ZINC000827545070 636349456 /nfs/dbraw/zinc/34/94/56/636349456.db2.gz SDQGNIMEJPXEQE-NWDGAFQWSA-N 0 3 293.363 2.032 20 10 CECDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2OC)C[C@@H]1C ZINC000827545070 636349460 /nfs/dbraw/zinc/34/94/60/636349460.db2.gz SDQGNIMEJPXEQE-NWDGAFQWSA-N 0 3 293.363 2.032 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC000827644802 636374713 /nfs/dbraw/zinc/37/47/13/636374713.db2.gz RQZJPUIQEVQWHF-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN CCOc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC000827644802 636374718 /nfs/dbraw/zinc/37/47/18/636374718.db2.gz RQZJPUIQEVQWHF-UHFFFAOYSA-N 0 3 263.337 2.013 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC[C@@H]1CCCO1)CC2 ZINC000834588330 637882794 /nfs/dbraw/zinc/88/27/94/637882794.db2.gz AXOJEIMKPIMJRZ-KBPBESRZSA-N 0 3 277.364 2.165 20 10 CECDHN CC[C@@H]([NH2+]C(COC)COC)c1ccc(C)cc1[O-] ZINC000834890551 637978885 /nfs/dbraw/zinc/97/88/85/637978885.db2.gz LAAJTQMAKRFLKY-CQSZACIVSA-N 0 3 267.369 2.403 20 10 CECDHN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000834897827 637981284 /nfs/dbraw/zinc/98/12/84/637981284.db2.gz WALZAWALRLJZGL-SMDDNHRTSA-N 0 3 271.364 2.334 20 10 CECDHN Cc1cccc(O)c1CN(CCO)Cc1cccnc1 ZINC000876690455 650401952 /nfs/dbraw/zinc/40/19/52/650401952.db2.gz VRBCWHVQGJDREX-UHFFFAOYSA-N 0 3 272.348 2.090 20 10 CECDHN Nc1ccc(CCNC(=O)[C@H](N)C2CCCCCC2)cc1 ZINC000911782994 638407571 /nfs/dbraw/zinc/40/75/71/638407571.db2.gz NOBREBCISQTLEV-MRXNPFEDSA-N 0 3 289.423 2.225 20 10 CECDHN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000876815239 650443754 /nfs/dbraw/zinc/44/37/54/650443754.db2.gz OPMWTMXSIUCCPD-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000876815239 650443756 /nfs/dbraw/zinc/44/37/56/650443756.db2.gz OPMWTMXSIUCCPD-AWEZNQCLSA-N 0 3 276.380 2.001 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000226582553 639554817 /nfs/dbraw/zinc/55/48/17/639554817.db2.gz DAZLYYQZOURPFP-HNNXBMFYSA-N 0 3 261.296 2.355 20 10 CECDHN CC(C)(CC[NH2+][C@H]1CCc2cccc([O-])c21)S(C)(=O)=O ZINC000840876858 639569387 /nfs/dbraw/zinc/56/93/87/639569387.db2.gz PNAQLMWXQAYKAJ-LBPRGKRZSA-N 0 3 297.420 2.182 20 10 CECDHN CCCCN(CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840909982 639583003 /nfs/dbraw/zinc/58/30/03/639583003.db2.gz DBWCWXINRXQDQE-UHFFFAOYSA-N 0 3 277.412 2.148 20 10 CECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2[O-])CCN1 ZINC000841061177 639637107 /nfs/dbraw/zinc/63/71/07/639637107.db2.gz FWGQDNUZVGBHAB-KOLCDFICSA-N 0 3 254.761 2.276 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)c1ccccc1[O-] ZINC000228929452 639665289 /nfs/dbraw/zinc/66/52/89/639665289.db2.gz RNHQNXFXQZONGU-AAEUAGOBSA-N 0 3 264.369 2.346 20 10 CECDHN [NH3+][C@@H]1Cc2ccccc2N(Cc2cccc(F)c2[O-])C1 ZINC000841107066 639683169 /nfs/dbraw/zinc/68/31/69/639683169.db2.gz USLXXAPJMMVVBX-CYBMUJFWSA-N 0 3 272.323 2.421 20 10 CECDHN CC[C@@H]([NH2+]CCc1ccn(C)n1)c1ccccc1[O-] ZINC000229578678 639708306 /nfs/dbraw/zinc/70/83/06/639708306.db2.gz DDKCLFLKVUVEJH-CQSZACIVSA-N 0 3 259.353 2.409 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CC[S@](=O)C(C)(C)C ZINC000877056949 650551861 /nfs/dbraw/zinc/55/18/61/650551861.db2.gz XXANVYOABIYWSM-SFHVURJKSA-N 0 3 269.410 2.337 20 10 CECDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)[C@@]1(O)CCOC1 ZINC000842920953 640221118 /nfs/dbraw/zinc/22/11/18/640221118.db2.gz UKQTUCQXFLRAEZ-SUMWQHHRSA-N 0 3 291.391 2.147 20 10 CECDHN [NH3+]C[C@H]1CCCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843047789 640253021 /nfs/dbraw/zinc/25/30/21/640253021.db2.gz VGTMKOIJZZQGSI-SNVBAGLBSA-N 0 3 254.761 2.216 20 10 CECDHN C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(Br)c1[O-] ZINC000843057874 640259715 /nfs/dbraw/zinc/25/97/15/640259715.db2.gz NFFQESDXLDGPEL-VHSXEESVSA-N 0 3 299.212 2.324 20 10 CECDHN C[C@H]1C[C@H](C[NH3+])CN1Cc1cccc(Cl)c1[O-] ZINC000843058522 640261103 /nfs/dbraw/zinc/26/11/03/640261103.db2.gz VBMSODVKMFUOCS-VHSXEESVSA-N 0 3 254.761 2.215 20 10 CECDHN [O-]c1c(F)cccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843129005 640295574 /nfs/dbraw/zinc/29/55/74/640295574.db2.gz OEHMMUHQRXLMQQ-ZDUSSCGKSA-N 0 3 264.344 2.296 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000877093078 650569201 /nfs/dbraw/zinc/56/92/01/650569201.db2.gz NNTNQJPJDYCABQ-CYBMUJFWSA-N 0 3 275.348 2.234 20 10 CECDHN Cc1ccc(CNCc2cccc(N(C)C)n2)c(O)c1 ZINC000877117737 650579931 /nfs/dbraw/zinc/57/99/31/650579931.db2.gz SKADSVLZLMKXGG-UHFFFAOYSA-N 0 3 271.364 2.451 20 10 CECDHN COC(=O)CC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877149921 650596010 /nfs/dbraw/zinc/59/60/10/650596010.db2.gz VJHFYHVPZSHLSV-UHFFFAOYSA-N 0 3 251.326 2.132 20 10 CECDHN CCn1nccc1CN[C@@H](C)c1cc(OC)ccc1O ZINC000845971931 641142056 /nfs/dbraw/zinc/14/20/56/641142056.db2.gz OFUINVHULBAWQJ-NSHDSACASA-N 0 3 275.352 2.468 20 10 CECDHN CC[C@H]([NH2+]C[C@H]1CC(=O)N(CC)C1)c1ccccc1[O-] ZINC000846096361 641179768 /nfs/dbraw/zinc/17/97/68/641179768.db2.gz GWODYRQELKZHGG-OCCSQVGLSA-N 0 3 276.380 2.301 20 10 CECDHN C[C@H]1C[C@@H]([NH2+]CCN2CCCC2=O)c2c1c(F)ccc2[O-] ZINC000846205109 641220434 /nfs/dbraw/zinc/22/04/34/641220434.db2.gz FAVAIJPBWWLUNQ-CMPLNLGQSA-N 0 3 292.354 2.292 20 10 CECDHN CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179873540 641388574 /nfs/dbraw/zinc/38/85/74/641388574.db2.gz JRLLXVLDAGLQHK-STQMWFEESA-N 0 3 267.369 2.076 20 10 CECDHN CCOC(=O)[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877323474 650676378 /nfs/dbraw/zinc/67/63/78/650676378.db2.gz PHEITDSTJSQNEF-VXGBXAGGSA-N 0 3 265.353 2.378 20 10 CECDHN CCOC(=O)[C@H](C)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877322713 650675369 /nfs/dbraw/zinc/67/53/69/650675369.db2.gz CCHBKYJHWDKALZ-NEPJUHHUSA-N 0 3 265.353 2.378 20 10 CECDHN C[C@H]1CCN(CC(=O)NCCCSc2nccs2)C1 ZINC000847488455 641673413 /nfs/dbraw/zinc/67/34/13/641673413.db2.gz YAADQPOIAMVVIJ-NSHDSACASA-N 0 3 299.465 2.083 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)COCC(C)C)c([O-])c1 ZINC000185117387 641938216 /nfs/dbraw/zinc/93/82/16/641938216.db2.gz ADBVXONTKMSKIY-ZIAGYGMSSA-N 0 3 281.396 2.385 20 10 CECDHN CSC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000185530979 641989487 /nfs/dbraw/zinc/98/94/87/641989487.db2.gz KVNLZPVSELAXLC-ONGXEEELSA-N 0 3 273.373 2.296 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000769532501 642136572 /nfs/dbraw/zinc/13/65/72/642136572.db2.gz KFHUVPPNHUGXPS-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000769532501 642136577 /nfs/dbraw/zinc/13/65/77/642136577.db2.gz KFHUVPPNHUGXPS-HNNXBMFYSA-N 0 3 263.337 2.013 20 10 CECDHN C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccccc1[O-] ZINC000848919389 642192089 /nfs/dbraw/zinc/19/20/89/642192089.db2.gz KHFYGQDKJAMMIR-HIFRSBDPSA-N 0 3 290.407 2.296 20 10 CECDHN COc1ccc(C[NH2+]Cc2cncc(OC)c2C)c([O-])c1 ZINC000877493916 650749694 /nfs/dbraw/zinc/74/96/94/650749694.db2.gz QRBDESBQGBGPOU-UHFFFAOYSA-N 0 3 288.347 2.403 20 10 CECDHN Cc1ccc(C[NH2+]CC[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000877526526 650766919 /nfs/dbraw/zinc/76/69/19/650766919.db2.gz JYQVIJKQXSMQBO-LLVKDONJSA-N 0 3 263.259 2.104 20 10 CECDHN CCN(C)c1ccc([C@H](C)NC[C@H](C)S(C)(=O)=O)cc1 ZINC000773104983 642567564 /nfs/dbraw/zinc/56/75/64/642567564.db2.gz PMHJKATVJIKPPW-STQMWFEESA-N 0 3 298.452 2.226 20 10 CECDHN C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000850355442 642679559 /nfs/dbraw/zinc/67/95/59/642679559.db2.gz IRNGHHUXORTRME-VFVRVIDISA-N 0 3 267.394 2.172 20 10 CECDHN C[C@@H](CF)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877548695 650780849 /nfs/dbraw/zinc/78/08/49/650780849.db2.gz RKOVAHWHODLMMW-LBPRGKRZSA-N 0 3 266.360 2.095 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]CCc1nccnc1C ZINC000877552039 650782896 /nfs/dbraw/zinc/78/28/96/650782896.db2.gz JSTJFWONUKIAJZ-UHFFFAOYSA-N 0 3 257.337 2.131 20 10 CECDHN CN(C)c1ccnc(CNCc2ccc3c(c2)CCO3)c1 ZINC000922479252 643089013 /nfs/dbraw/zinc/08/90/13/643089013.db2.gz SLZHBLOOWMLBJP-UHFFFAOYSA-N 0 3 283.375 2.372 20 10 CECDHN Cc1cc(Br)cc([C@@H](C)[NH2+]CCCO)c1[O-] ZINC000186912823 643358275 /nfs/dbraw/zinc/35/82/75/643358275.db2.gz ZGXVEGROUCDTEX-SECBINFHSA-N 0 3 288.185 2.496 20 10 CECDHN COC(=O)[C@@]1(C)C[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877666311 650840479 /nfs/dbraw/zinc/84/04/79/650840479.db2.gz FUBHRYRWCJGMJA-LRDDRELGSA-N 0 3 277.364 2.332 20 10 CECDHN COC(=O)[C@@]1(C)C[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000877666311 650840482 /nfs/dbraw/zinc/84/04/82/650840482.db2.gz FUBHRYRWCJGMJA-LRDDRELGSA-N 0 3 277.364 2.332 20 10 CECDHN COc1cccc([O-])c1C[NH2+]CCNc1ccc(C)cn1 ZINC000922926749 643455941 /nfs/dbraw/zinc/45/59/41/643455941.db2.gz WYXLITQXZRLBBB-UHFFFAOYSA-N 0 3 287.363 2.306 20 10 CECDHN C[NH2+]C[C@H](C)NCc1cc(C)cc(Br)c1[O-] ZINC000853248637 643722057 /nfs/dbraw/zinc/72/20/57/643722057.db2.gz HZGAVYPUPKEPBF-VIFPVBQESA-N 0 3 287.201 2.161 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CC1(C)C ZINC000853628031 643837294 /nfs/dbraw/zinc/83/72/94/643837294.db2.gz LTVMIQXMYVUHIE-SMDDNHRTSA-N 0 3 277.364 2.296 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C[C@@H]1CC1(C)C ZINC000853628031 643837295 /nfs/dbraw/zinc/83/72/95/643837295.db2.gz LTVMIQXMYVUHIE-SMDDNHRTSA-N 0 3 277.364 2.296 20 10 CECDHN C[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccc1[O-] ZINC000877758285 650900018 /nfs/dbraw/zinc/90/00/18/650900018.db2.gz RBGDCPCICQDHPP-ZDUSSCGKSA-N 0 3 292.423 2.278 20 10 CECDHN CCCNC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756355043 644634285 /nfs/dbraw/zinc/63/42/85/644634285.db2.gz GDHSMFFWUYPHNJ-GXSJLCMTSA-N 0 3 280.343 2.195 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CCC(=O)N(C)C)c2c1c(F)ccc2[O-] ZINC000756517981 644657681 /nfs/dbraw/zinc/65/76/81/644657681.db2.gz RTYPBTQUGIEZLX-KOLCDFICSA-N 0 3 280.343 2.148 20 10 CECDHN COC1CCN(CC[NH2+][C@H](C)c2ccc(C)cc2[O-])CC1 ZINC000756641115 644678072 /nfs/dbraw/zinc/67/80/72/644678072.db2.gz GHASVLXQUOCYAY-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCOc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000857060667 644806146 /nfs/dbraw/zinc/80/61/46/644806146.db2.gz DIFABNXPOYCYPV-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000857060667 644806147 /nfs/dbraw/zinc/80/61/47/644806147.db2.gz DIFABNXPOYCYPV-OCCSQVGLSA-N 0 3 279.380 2.241 20 10 CECDHN C[C@H]1C[C@H]([NH2+]CC(=O)NCC2CC2)c2c1c(F)ccc2[O-] ZINC000757630969 644827261 /nfs/dbraw/zinc/82/72/61/644827261.db2.gz AZUVSIXVRSFAPJ-CABZTGNLSA-N 0 3 292.354 2.195 20 10 CECDHN CSCCNCc1cc(F)c(N(C)C)cc1F ZINC000858087168 645055759 /nfs/dbraw/zinc/05/57/59/645055759.db2.gz LTKHLQDKIFLVLZ-UHFFFAOYSA-N 0 3 260.353 2.483 20 10 CECDHN Cc1cc(C)c([C@H](C)N[C@@H](CO)c2ccnn2C)c(O)c1 ZINC000858435368 645158920 /nfs/dbraw/zinc/15/89/20/645158920.db2.gz GRIYFCXEQNROFE-STQMWFEESA-N 0 3 289.379 2.127 20 10 CECDHN C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccccc1[O-] ZINC000858597623 645216840 /nfs/dbraw/zinc/21/68/40/645216840.db2.gz SGMANHPNAROBAW-SNVBAGLBSA-N 0 3 258.312 2.240 20 10 CECDHN C[C@H]([NH2+]CCOC1CCOCC1)c1ccccc1[O-] ZINC000859229051 645429970 /nfs/dbraw/zinc/42/99/70/645429970.db2.gz HTAIECQGQUKAMF-LBPRGKRZSA-N 0 3 265.353 2.238 20 10 CECDHN C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1ccccc1[O-] ZINC000763558444 645557755 /nfs/dbraw/zinc/55/77/55/645557755.db2.gz PNICNWADXJXHPG-SWLSCSKDSA-N 0 3 279.380 2.220 20 10 CECDHN CC[C@H]1CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440120 646122540 /nfs/dbraw/zinc/12/25/40/646122540.db2.gz SQUNGPIHHUTTGV-XHDPSFHLSA-N 0 3 277.364 2.440 20 10 CECDHN CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768440120 646122543 /nfs/dbraw/zinc/12/25/43/646122543.db2.gz SQUNGPIHHUTTGV-XHDPSFHLSA-N 0 3 277.364 2.440 20 10 CECDHN Oc1cc2c(cc1CN1CCc3ccccc3C1)[C@@H](O)CO2 ZINC000768437753 646122900 /nfs/dbraw/zinc/12/29/00/646122900.db2.gz FXOCUWCPZVTGIE-KRWDZBQOSA-N 0 3 297.354 2.376 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCc3ccccc3C1)[C@@H](O)CO2 ZINC000768437753 646122902 /nfs/dbraw/zinc/12/29/02/646122902.db2.gz FXOCUWCPZVTGIE-KRWDZBQOSA-N 0 3 297.354 2.376 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCc3ccccc3C1)[C@@H](O)CO2 ZINC000768437753 646122904 /nfs/dbraw/zinc/12/29/04/646122904.db2.gz FXOCUWCPZVTGIE-KRWDZBQOSA-N 0 3 297.354 2.376 20 10 CECDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCC1 ZINC000768439438 646123002 /nfs/dbraw/zinc/12/30/02/646123002.db2.gz HMKJOERLRYLHAO-HNNXBMFYSA-N 0 3 277.364 2.440 20 10 CECDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CCCC1 ZINC000768439438 646123003 /nfs/dbraw/zinc/12/30/03/646123003.db2.gz HMKJOERLRYLHAO-HNNXBMFYSA-N 0 3 277.364 2.440 20 10 CECDHN C[C@@H]1SCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000768447249 646124284 /nfs/dbraw/zinc/12/42/84/646124284.db2.gz NSLHLZGKBNIORS-BHDSKKPTSA-N 0 3 295.404 2.144 20 10 CECDHN C[C@@H]1SCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)[C@H]1C ZINC000768447249 646124288 /nfs/dbraw/zinc/12/42/88/646124288.db2.gz NSLHLZGKBNIORS-BHDSKKPTSA-N 0 3 295.404 2.144 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CCC[C@H]1C1CC1)[C@H](O)CO2 ZINC000768452751 646125536 /nfs/dbraw/zinc/12/55/36/646125536.db2.gz SJDYXEHMSAXQGJ-DZGCQCFKSA-N 0 3 275.348 2.192 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CCC[C@H]1C1CC1)[C@H](O)CO2 ZINC000768452751 646125541 /nfs/dbraw/zinc/12/55/41/646125541.db2.gz SJDYXEHMSAXQGJ-DZGCQCFKSA-N 0 3 275.348 2.192 20 10 CECDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C[C@H]1CCOC1 ZINC000768522101 646134973 /nfs/dbraw/zinc/13/49/73/646134973.db2.gz YPRMLNZOHCJMIM-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CC[N@H+](Cc1cccc(OC)c1[O-])C[C@H]1CCOC1 ZINC000768522101 646134975 /nfs/dbraw/zinc/13/49/75/646134975.db2.gz YPRMLNZOHCJMIM-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000769318097 646243735 /nfs/dbraw/zinc/24/37/35/646243735.db2.gz INRCQAYWEVZYMC-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCCO[C@H](C)C1 ZINC000769318097 646243740 /nfs/dbraw/zinc/24/37/40/646243740.db2.gz INRCQAYWEVZYMC-LLVKDONJSA-N 0 3 251.326 2.012 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000769709734 646305021 /nfs/dbraw/zinc/30/50/21/646305021.db2.gz JKALBZAACSABLZ-YPMHNXCESA-N 0 3 265.353 2.448 20 10 CECDHN C/C=C\C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000769937163 646336433 /nfs/dbraw/zinc/33/64/33/646336433.db2.gz NJBJYWJGKHXANV-HSBHDXMMSA-N 0 3 265.353 2.208 20 10 CECDHN CCN(C)c1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000773754303 646773541 /nfs/dbraw/zinc/77/35/41/646773541.db2.gz WFGSZNATKPUHKK-UHFFFAOYSA-N 0 3 273.424 2.423 20 10 CECDHN CC[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000775503361 646960898 /nfs/dbraw/zinc/96/08/98/646960898.db2.gz GHPDAMJJNXIOBG-UKRRQHHQSA-N 0 3 279.380 2.486 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@@H](OCC)[C@H]2OC)c([O-])c1 ZINC000775979193 647012403 /nfs/dbraw/zinc/01/24/03/647012403.db2.gz RQKSQTJWRXBGJA-BMFZPTHFSA-N 0 3 295.379 2.073 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000778216500 647211323 /nfs/dbraw/zinc/21/13/23/647211323.db2.gz OSOQNJZAKWYOBM-YPMHNXCESA-N 0 3 265.353 2.042 20 10 CECDHN CCOc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000778214598 647211752 /nfs/dbraw/zinc/21/17/52/647211752.db2.gz OIODVUCGXNQCOH-KBPBESRZSA-N 0 3 265.353 2.184 20 10 CECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCOC1 ZINC000778996972 647279421 /nfs/dbraw/zinc/27/94/21/647279421.db2.gz XYDFBYSBKCAIQN-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCOC1 ZINC000778996972 647279423 /nfs/dbraw/zinc/27/94/23/647279423.db2.gz XYDFBYSBKCAIQN-NSHDSACASA-N 0 3 253.317 2.390 20 10 CECDHN Cn1cc(C(C)(C)[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000779085564 647286645 /nfs/dbraw/zinc/28/66/45/647286645.db2.gz QLXVIFQOKMZTJF-UHFFFAOYSA-N 0 3 263.316 2.290 20 10 CECDHN CC(C)(F)CNCc1ccc(N2CCOCC2)cc1 ZINC000865654752 647408419 /nfs/dbraw/zinc/40/84/19/647408419.db2.gz UHACCVFYKFFONF-UHFFFAOYSA-N 0 3 266.360 2.361 20 10 CECDHN CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000865690683 647424731 /nfs/dbraw/zinc/42/47/31/647424731.db2.gz LNJFEAYISYEESK-COPLHBTASA-N 0 3 265.353 2.446 20 10 CECDHN CCOc1ccc(N(CC2CC2)C[C@@H]2CNCCO2)cc1 ZINC000866673077 647863908 /nfs/dbraw/zinc/86/39/08/647863908.db2.gz QNOZDGRZMXJVLV-KRWDZBQOSA-N 0 3 290.407 2.290 20 10 CECDHN CCOc1ccc(C[NH2+]CC[C@@H]2CCOC2)c([O-])c1 ZINC000784663823 647872751 /nfs/dbraw/zinc/87/27/51/647872751.db2.gz NCJWRZPULWTRJO-GFCCVEGCSA-N 0 3 265.353 2.307 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](COC)[C@@H]2CCCO2)c([O-])c1 ZINC000788533864 648200394 /nfs/dbraw/zinc/20/03/94/648200394.db2.gz DDLIKVBBGZAOIA-ZBFHGGJFSA-N 0 3 295.379 2.075 20 10 CECDHN COc1ccc(CNC(C)(C)C(=O)N2CCCC2)cc1C ZINC000793394568 648749761 /nfs/dbraw/zinc/74/97/61/648749761.db2.gz DXOAVDUAWKQBLN-UHFFFAOYSA-N 0 3 290.407 2.494 20 10 CECDHN CCN1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200957 649030781 /nfs/dbraw/zinc/03/07/81/649030781.db2.gz ODUSKRWRVIFZJV-CQSZACIVSA-N 0 3 274.364 2.109 20 10 CECDHN CC1(F)CC[NH+](Cc2cc3c(cc2[O-])OC[C@@H]3O)CC1 ZINC000872692015 649457590 /nfs/dbraw/zinc/45/75/90/649457590.db2.gz VAQXYZYQGDINHH-ZDUSSCGKSA-N 0 3 281.327 2.142 20 10 CECDHN C[C@@H]([NH2+]CCN1C[C@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000879649318 651335195 /nfs/dbraw/zinc/33/51/95/651335195.db2.gz NCICXCDKOFQFGR-MELADBBJSA-N 0 3 278.396 2.152 20 10 CECDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)c1ccccc1[O-] ZINC000879648828 651335446 /nfs/dbraw/zinc/33/54/46/651335446.db2.gz BIDHWXKDJJIONL-PAPYEOQZSA-N 0 3 288.391 2.490 20 10 CECDHN C[C@H]([NH2+]C[C@@H](O)CC1(O)CCCCC1)c1ccccc1[O-] ZINC000879650408 651335608 /nfs/dbraw/zinc/33/56/08/651335608.db2.gz ZYAHQMPHQMNQQS-KBPBESRZSA-N 0 3 293.407 2.489 20 10 CECDHN COc1coc(C[NH2+][C@@H](C)c2ccccc2[O-])cc1=O ZINC000879651328 651335617 /nfs/dbraw/zinc/33/56/17/651335617.db2.gz RHBHPBQVFZTWCP-JTQLQIEISA-N 0 3 275.304 2.205 20 10 CECDHN COc1coc(CN[C@@H](C)c2ccccc2O)cc1=O ZINC000879651328 651335618 /nfs/dbraw/zinc/33/56/18/651335618.db2.gz RHBHPBQVFZTWCP-JTQLQIEISA-N 0 3 275.304 2.205 20 10 CECDHN C[C@@H]([NH2+]C[C@H](O)CC1(O)CCCC1)c1ccccc1[O-] ZINC000879650353 651335705 /nfs/dbraw/zinc/33/57/05/651335705.db2.gz WOKPIVNGZWZQCT-CHWSQXEVSA-N 0 3 279.380 2.099 20 10 CECDHN C[C@@H]([NH2+]CCC(=O)NC1CCCC1)c1ccccc1[O-] ZINC000879650057 651335771 /nfs/dbraw/zinc/33/57/71/651335771.db2.gz ZHFQKXCSKQITMN-GFCCVEGCSA-N 0 3 276.380 2.492 20 10 CECDHN C[C@H]([NH2+]C[C@H](O)CC1(CO)CCCC1)c1ccccc1[O-] ZINC000879650218 651335830 /nfs/dbraw/zinc/33/58/30/651335830.db2.gz PZKBAANYHMVHOY-UONOGXRCSA-N 0 3 293.407 2.347 20 10 CECDHN C[NH2+][C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128321330 651417079 /nfs/dbraw/zinc/41/70/79/651417079.db2.gz IYWLRWRXAJPHRV-JTQLQIEISA-N 0 3 254.761 2.229 20 10 CECDHN [O-]c1c(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703349672 809643424 /nfs/dbraw/zinc/64/34/24/809643424.db2.gz ZDNOIEFEEYKRGM-NEPJUHHUSA-N 0 3 282.334 2.387 20 10 CECDHN [O-]c1c(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc(F)c1F ZINC000703349672 809643430 /nfs/dbraw/zinc/64/34/30/809643430.db2.gz ZDNOIEFEEYKRGM-NEPJUHHUSA-N 0 3 282.334 2.387 20 10 CECDHN C[C@@H]([NH2+]CCO[C@H]1CC1(F)F)c1ccccc1[O-] ZINC000690724258 802880546 /nfs/dbraw/zinc/88/05/46/802880546.db2.gz DQSFWHOYFDLCGS-SKDRFNHKSA-N 0 3 257.280 2.467 20 10 CECDHN COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC000724814322 803489668 /nfs/dbraw/zinc/48/96/68/803489668.db2.gz NAKPKNHEBWDAEK-SWLSCSKDSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC000724814322 803489670 /nfs/dbraw/zinc/48/96/70/803489670.db2.gz NAKPKNHEBWDAEK-SWLSCSKDSA-N 0 3 263.337 2.012 20 10 CECDHN COc1ccc(CN[C@@H]2CCCC23OCCO3)cc1C ZINC000715600456 814977259 /nfs/dbraw/zinc/97/72/59/814977259.db2.gz XSOVCCKDUVVFLB-OAHLLOKOSA-N 0 3 277.364 2.389 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000092456368 804038451 /nfs/dbraw/zinc/03/84/51/804038451.db2.gz ABSFSCYXNODILF-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2[O-])C1 ZINC000092456368 804038461 /nfs/dbraw/zinc/03/84/61/804038461.db2.gz ABSFSCYXNODILF-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CC[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1ccccc1[O-] ZINC000037152343 815018234 /nfs/dbraw/zinc/01/82/34/815018234.db2.gz HYIZDNUBKFDPQW-YIZWMMSDSA-N 0 3 276.380 2.477 20 10 CECDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C2(CO)CC2)c1[O-] ZINC000696078177 807135745 /nfs/dbraw/zinc/13/57/45/807135745.db2.gz DVAWCAGGGILQAL-VIFPVBQESA-N 0 3 285.771 2.305 20 10 CECDHN CCN(CC)c1ccc(CNCC2OCCCO2)cc1 ZINC000716351380 815118074 /nfs/dbraw/zinc/11/80/74/815118074.db2.gz QQFDHOJURSQRLK-UHFFFAOYSA-N 0 3 278.396 2.385 20 10 CECDHN CC[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1[O-] ZINC000716775027 815146633 /nfs/dbraw/zinc/14/66/33/815146633.db2.gz PSNRITTVXIRHTF-CMPLNLGQSA-N 0 3 259.296 2.449 20 10 CECDHN CCN(CCC[NH+](C)C)Cc1ccc(F)c(F)c1[O-] ZINC000703563483 809668946 /nfs/dbraw/zinc/66/89/46/809668946.db2.gz NIOGQEUJWZJSMW-UHFFFAOYSA-N 0 3 272.339 2.444 20 10 CECDHN COC[C@H](CC[NH2+][C@@H](C)c1cc(F)ccc1[O-])OC ZINC000710667686 810002875 /nfs/dbraw/zinc/00/28/75/810002875.db2.gz IGGUZHYUNHPWFQ-JQWIXIFHSA-N 0 3 271.332 2.233 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000381332409 810328629 /nfs/dbraw/zinc/32/86/29/810328629.db2.gz BTZNKBSPVGNBTI-MFKMUULPSA-N 0 3 266.772 2.229 20 10 CECDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC001122003724 815376263 /nfs/dbraw/zinc/37/62/63/815376263.db2.gz GBTDTSCCOGKYKE-LRDDRELGSA-N 0 3 291.439 2.441 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1nnc3ccccn31)CC2 ZINC000390126105 810744049 /nfs/dbraw/zinc/74/40/49/810744049.db2.gz GHRAQHYKIQDONU-CYBMUJFWSA-N 0 3 294.358 2.255 20 10 CECDHN CCCN1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001122536360 815422922 /nfs/dbraw/zinc/42/29/22/815422922.db2.gz ZPKJSZCWGCFJFE-OAHLLOKOSA-N 0 3 275.396 2.150 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])CO1 ZINC001169335225 811489300 /nfs/dbraw/zinc/48/93/00/811489300.db2.gz QSHUHPGLZRGEAM-XUJVJEKNSA-N 0 3 293.363 2.154 20 10 CECDHN CO[C@H]([C@@H](C)[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000388278597 813235631 /nfs/dbraw/zinc/23/56/31/813235631.db2.gz KNCIOTGZYAIBOL-YMTOWFKASA-N 0 3 253.317 2.434 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCc2cnccn2)c([O-])c1 ZINC000390105347 813259731 /nfs/dbraw/zinc/25/97/31/813259731.db2.gz ITQQEMZHCSOBIV-GFCCVEGCSA-N 0 3 257.337 2.384 20 10 CECDHN CN1CCC([N@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000234326357 814414192 /nfs/dbraw/zinc/41/41/92/814414192.db2.gz RJHUYQYHLKWJSN-UHFFFAOYSA-N 0 3 252.333 2.057 20 10 CECDHN CN1CCC([N@@H+](C)Cc2cc(F)ccc2[O-])CC1 ZINC000234326357 814414198 /nfs/dbraw/zinc/41/41/98/814414198.db2.gz RJHUYQYHLKWJSN-UHFFFAOYSA-N 0 3 252.333 2.057 20 10 CECDHN CCN1CC[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000712541342 814764362 /nfs/dbraw/zinc/76/43/62/814764362.db2.gz DPKFGAYMTDJWEP-PWSUYJOCSA-N 0 3 252.333 2.276 20 10 CECDHN [NH3+][C@H]1CCN(Cc2c([O-])ccc(F)c2Cl)CC[C@@H]1F ZINC001206197248 815639441 /nfs/dbraw/zinc/63/94/41/815639441.db2.gz HAXGCVLAWVXRIA-ONGXEEELSA-N 0 3 290.741 2.446 20 10 CECDHN C[C@@H](NCC(=O)Nc1nccs1)c1ccccc1O ZINC001175419264 816195549 /nfs/dbraw/zinc/19/55/49/816195549.db2.gz USTHUCAVEJBCJL-SECBINFHSA-N 0 3 277.349 2.138 20 10 CECDHN C[C@@H]([NH2+]CC(=O)Nc1nccs1)c1ccccc1[O-] ZINC001175419264 816195556 /nfs/dbraw/zinc/19/55/56/816195556.db2.gz USTHUCAVEJBCJL-SECBINFHSA-N 0 3 277.349 2.138 20 10 CECDHN CCN(Cc1ccc(CO)o1)Cc1ccccc1O ZINC001140683172 816319201 /nfs/dbraw/zinc/31/92/01/816319201.db2.gz TXZVCPWKEKXYRJ-UHFFFAOYSA-N 0 3 261.321 2.500 20 10 CECDHN COC(=O)[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])CC12CC2 ZINC001140953449 816424612 /nfs/dbraw/zinc/42/46/12/816424612.db2.gz ATGTUCSERBYPRD-CYBMUJFWSA-N 0 3 275.348 2.086 20 10 CECDHN COC(=O)[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])CC12CC2 ZINC001140953449 816424616 /nfs/dbraw/zinc/42/46/16/816424616.db2.gz ATGTUCSERBYPRD-CYBMUJFWSA-N 0 3 275.348 2.086 20 10 CECDHN COc1ccc([O-])c(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290626964 344684556 /nfs/dbraw/zinc/68/45/56/344684556.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 0 3 278.396 2.173 20 10 CECDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c1 ZINC000290626964 344684558 /nfs/dbraw/zinc/68/45/58/344684558.db2.gz XOWGWACDBOMLPG-IUODEOHRSA-N 0 3 278.396 2.173 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1COc3ccccc3[C@@H]1O)CC2 ZINC000297217556 344695863 /nfs/dbraw/zinc/69/58/63/344695863.db2.gz HBEICNJLIOQONH-GLJUWKHASA-N 0 3 297.354 2.464 20 10 CECDHN CCOc1cccc(C[NH2+]C[C@H]2CCCN2CC)c1[O-] ZINC000083594690 363781248 /nfs/dbraw/zinc/78/12/48/363781248.db2.gz VDUKZBOFCPNVEY-CQSZACIVSA-N 0 3 278.396 2.365 20 10 CECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000238053971 370768088 /nfs/dbraw/zinc/76/80/88/370768088.db2.gz IPLDJDYDYLLQOY-OAHLLOKOSA-N 0 3 257.333 2.085 20 10 CECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCOC1 ZINC000180086456 368366239 /nfs/dbraw/zinc/36/62/39/368366239.db2.gz SPFVNORDZJFQTF-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCOC1 ZINC000180086456 368366243 /nfs/dbraw/zinc/36/62/43/368366243.db2.gz SPFVNORDZJFQTF-LLVKDONJSA-N 0 3 253.317 2.390 20 10 CECDHN CN(C)C(=O)CC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180328307 368376766 /nfs/dbraw/zinc/37/67/66/368376766.db2.gz HBSPGTRYVKRTSA-UHFFFAOYSA-N 0 3 294.370 2.222 20 10 CECDHN CCOC[C@@H]1CC[N@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180622088 368389842 /nfs/dbraw/zinc/38/98/42/368389842.db2.gz SNBYDDQBPCYCCQ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CCOC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2[O-])C1 ZINC000180622088 368389844 /nfs/dbraw/zinc/38/98/44/368389844.db2.gz SNBYDDQBPCYCCQ-GFCCVEGCSA-N 0 3 265.353 2.259 20 10 CECDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180682292 368392847 /nfs/dbraw/zinc/39/28/47/368392847.db2.gz GZVREMWYBPEATQ-SNVBAGLBSA-N 0 3 284.787 2.168 20 10 CECDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000180682292 368392852 /nfs/dbraw/zinc/39/28/52/368392852.db2.gz GZVREMWYBPEATQ-SNVBAGLBSA-N 0 3 284.787 2.168 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCOC(C)(C)C2)c([O-])c1 ZINC000185361473 368797277 /nfs/dbraw/zinc/79/72/77/368797277.db2.gz PBRAKAYAEDEUGD-CQSZACIVSA-N 0 3 292.423 2.462 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000189341631 369501194 /nfs/dbraw/zinc/50/11/94/369501194.db2.gz GYKLGVOEWGYJOK-UONOGXRCSA-N 0 3 265.353 2.040 20 10 CECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC(F)(F)F ZINC000189663337 369555383 /nfs/dbraw/zinc/55/53/83/369555383.db2.gz BICIBICUJCCJNB-JTQLQIEISA-N 0 3 263.259 2.137 20 10 CECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC(F)(F)F ZINC000189663337 369555385 /nfs/dbraw/zinc/55/53/85/369555385.db2.gz BICIBICUJCCJNB-JTQLQIEISA-N 0 3 263.259 2.137 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000189796711 369569383 /nfs/dbraw/zinc/56/93/83/369569383.db2.gz QNWNVKQQBOGDOZ-ZFWWWQNUSA-N 0 3 265.353 2.184 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189958867 369582522 /nfs/dbraw/zinc/58/25/22/369582522.db2.gz RBFISSNDQXNUTJ-DOMZBBRYSA-N 0 3 279.380 2.432 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCCCO)c1 ZINC000223738823 370270130 /nfs/dbraw/zinc/27/01/30/370270130.db2.gz KVUQWDAJAAKXGS-LLVKDONJSA-N 0 3 253.342 2.214 20 10 CECDHN CCCOc1ccc(C[N@H+](CCC)CCO)c([O-])c1 ZINC000161223132 261241506 /nfs/dbraw/zinc/24/15/06/261241506.db2.gz KRHIEYREANMFIO-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN CCCOc1ccc(C[N@@H+](CCC)CCO)c([O-])c1 ZINC000161223132 261241508 /nfs/dbraw/zinc/24/15/08/261241508.db2.gz KRHIEYREANMFIO-UHFFFAOYSA-N 0 3 267.369 2.385 20 10 CECDHN C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000252804595 371480836 /nfs/dbraw/zinc/48/08/36/371480836.db2.gz DJEMVQXTELVNAJ-CLFVBBPSSA-N 0 3 273.373 2.339 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H]1CN(C2CC2)CCO1)c1ccccc1[O-] ZINC000364357707 372736490 /nfs/dbraw/zinc/73/64/90/372736490.db2.gz DQBDHLGJBHGWKA-GDBMZVCRSA-N 0 3 290.407 2.296 20 10 CECDHN Cc1cccc(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000366489497 373067813 /nfs/dbraw/zinc/06/78/13/373067813.db2.gz POGFJUPFLHSUOD-YOEHRIQHSA-N 0 3 291.391 2.471 20 10 CECDHN O[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271099462 373117235 /nfs/dbraw/zinc/11/72/35/373117235.db2.gz OPQHTWZDDJWVML-INIZCTEOSA-N 0 3 260.381 2.244 20 10 CECDHN COc1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1[O-] ZINC000367048343 373133555 /nfs/dbraw/zinc/13/35/55/373133555.db2.gz UDFIUZFAPCPMAT-HNNXBMFYSA-N 0 3 263.337 2.156 20 10 CECDHN COc1cccc(C[N@H+]2CCC[C@@]23CCOC3)c1[O-] ZINC000367048343 373133567 /nfs/dbraw/zinc/13/35/67/373133567.db2.gz UDFIUZFAPCPMAT-HNNXBMFYSA-N 0 3 263.337 2.156 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN(CC)C(=O)C1 ZINC000367309721 373147609 /nfs/dbraw/zinc/14/76/09/373147609.db2.gz YJFCXCDQKUBHQG-AWEZNQCLSA-N 0 3 276.380 2.398 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN(CC)C(=O)C1 ZINC000367309721 373147610 /nfs/dbraw/zinc/14/76/10/373147610.db2.gz YJFCXCDQKUBHQG-AWEZNQCLSA-N 0 3 276.380 2.398 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H]2COC3(CCCC3)O2)c1[O-] ZINC000271380868 373188713 /nfs/dbraw/zinc/18/87/13/373188713.db2.gz DJKHFBDQHBCCFZ-CYBMUJFWSA-N 0 3 293.363 2.176 20 10 CECDHN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)CCO1 ZINC000271464229 373193514 /nfs/dbraw/zinc/19/35/14/373193514.db2.gz GNCIECKXRJVTSX-OCCSQVGLSA-N 0 3 293.363 2.414 20 10 CECDHN COc1ccc(O)c(CN2CCc3ccccc3[C@@H]2CO)c1 ZINC000271780385 373201211 /nfs/dbraw/zinc/20/12/11/373201211.db2.gz HQNCEQJOCRLJAK-KRWDZBQOSA-N 0 3 299.370 2.493 20 10 CECDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)c2ccc(C)o2)c1 ZINC000271798461 373201800 /nfs/dbraw/zinc/20/18/00/373201800.db2.gz IJUXMQDYVFKPQH-CQSZACIVSA-N 0 3 277.320 2.125 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272261097 373393028 /nfs/dbraw/zinc/39/30/28/373393028.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 0 3 260.381 2.227 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3CCN(C)C[C@H]32)c1 ZINC000272261097 373393031 /nfs/dbraw/zinc/39/30/31/373393031.db2.gz ARCLJNKWMYBRKH-DZGCQCFKSA-N 0 3 260.381 2.227 20 10 CECDHN CC[C@@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1ccccc1[O-] ZINC000283963455 375787429 /nfs/dbraw/zinc/78/74/29/375787429.db2.gz FBXJAAGVYPNIAF-TZMCWYRMSA-N 0 3 297.420 2.258 20 10 CECDHN COC(=O)C(C)(C)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000285660351 375842298 /nfs/dbraw/zinc/84/22/98/375842298.db2.gz ZASKZDIIARUXJL-UHFFFAOYSA-N 0 3 265.353 2.380 20 10 CECDHN CC[C@H]([NH2+]CC(C)(C)OCCO)c1ccccc1[O-] ZINC000287520123 376250513 /nfs/dbraw/zinc/25/05/13/376250513.db2.gz ZOYPTLLSENGVSP-ZDUSSCGKSA-N 0 3 267.369 2.220 20 10 CECDHN CCC(CC)(C[NH2+]Cc1cc2c(cc1[O-])OCO2)OC ZINC000291753916 377209195 /nfs/dbraw/zinc/20/91/95/377209195.db2.gz QNGZOUCMAPHRDA-UHFFFAOYSA-N 0 3 281.352 2.416 20 10 CECDHN Cc1ncsc1CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000295047394 378036600 /nfs/dbraw/zinc/03/66/00/378036600.db2.gz PDVGWSIGNBMZHI-UHFFFAOYSA-N 0 3 292.360 2.218 20 10 CECDHN Cc1cc(O)c(CN2CC[C@H](OC(=O)N(C)C)C2)cc1C ZINC000295183598 378046080 /nfs/dbraw/zinc/04/60/80/378046080.db2.gz WEZOVKKNGUCWAN-AWEZNQCLSA-N 0 3 292.379 2.282 20 10 CECDHN CN(C)C(=O)O[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000295181775 378046407 /nfs/dbraw/zinc/04/64/07/378046407.db2.gz VVLRQUAMYFEKKC-OAHLLOKOSA-N 0 3 291.395 2.025 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCN1CCCC1)CC2 ZINC000296211351 378455200 /nfs/dbraw/zinc/45/52/00/378455200.db2.gz ZLAMYCIDIHUBET-CQSZACIVSA-N 0 3 260.381 2.455 20 10 CECDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCOC2)c1 ZINC000109543445 394733908 /nfs/dbraw/zinc/73/39/08/394733908.db2.gz SHKJFJVIAQSZNN-QWRGUYRKSA-N 0 3 251.326 2.230 20 10 CECDHN CCOc1cccc(C[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000109543547 394734272 /nfs/dbraw/zinc/73/42/72/394734272.db2.gz CJQDNBDXFJUZHX-GFCCVEGCSA-N 0 3 251.326 2.060 20 10 CECDHN CCOc1cccc(C[NH2+][C@H]2CCCOC2)c1[O-] ZINC000109543550 394734383 /nfs/dbraw/zinc/73/43/83/394734383.db2.gz CJQDNBDXFJUZHX-LBPRGKRZSA-N 0 3 251.326 2.060 20 10 CECDHN COCCn1cc(C[NH2+][C@@H](C)c2ccc(C)cc2[O-])cn1 ZINC000281945975 394883116 /nfs/dbraw/zinc/88/31/16/394883116.db2.gz BTCSVEQMPNECPX-ZDUSSCGKSA-N 0 3 289.379 2.394 20 10 CECDHN COc1cccc(CN(C)C[C@H]2CCCCO2)c1O ZINC000132605686 394933886 /nfs/dbraw/zinc/93/38/86/394933886.db2.gz QLURWXKZCXQAMH-CYBMUJFWSA-N 0 3 265.353 2.402 20 10 CECDHN CC(C)NC(=O)CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000135103658 394963523 /nfs/dbraw/zinc/96/35/23/394963523.db2.gz AAHIOQYFTXSDHY-CYBMUJFWSA-N 0 3 277.412 2.318 20 10 CECDHN CSC[C@@H](O)CN1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000372922651 395049276 /nfs/dbraw/zinc/04/92/76/395049276.db2.gz JCCLMZVOXZUCNA-INIZCTEOSA-N 0 3 292.448 2.176 20 10 CECDHN Cc1ncc2c(n1)CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C2 ZINC000373121953 395055416 /nfs/dbraw/zinc/05/54/16/395055416.db2.gz DHFZKASJRQEMFL-AWEZNQCLSA-N 0 3 287.338 2.277 20 10 CECDHN CCOc1cccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000373321606 395058718 /nfs/dbraw/zinc/05/87/18/395058718.db2.gz GLKZITBUBQLQKD-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN CCOc1cccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1[O-] ZINC000373321606 395058721 /nfs/dbraw/zinc/05/87/21/395058721.db2.gz GLKZITBUBQLQKD-INIZCTEOSA-N 0 3 277.364 2.138 20 10 CECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)cc1C ZINC000373318600 395058927 /nfs/dbraw/zinc/05/89/27/395058927.db2.gz MBVZYXGQJTYSKM-INIZCTEOSA-N 0 3 261.365 2.356 20 10 CECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1C ZINC000373318600 395058931 /nfs/dbraw/zinc/05/89/31/395058931.db2.gz MBVZYXGQJTYSKM-INIZCTEOSA-N 0 3 261.365 2.356 20 10 CECDHN Cc1noc(C2CC[NH+](Cc3ccccc3[O-])CC2)n1 ZINC000179562743 395195099 /nfs/dbraw/zinc/19/50/99/395195099.db2.gz KEDOLKLVNYPETB-UHFFFAOYSA-N 0 3 273.336 2.463 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000183378736 395256368 /nfs/dbraw/zinc/25/63/68/395256368.db2.gz VLAXYFBGMHCZEF-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000183378736 395256372 /nfs/dbraw/zinc/25/63/72/395256372.db2.gz VLAXYFBGMHCZEF-CQSZACIVSA-N 0 3 276.380 2.049 20 10 CECDHN CCOC(=O)C1CCN(Cc2cc(OC)ccc2O)CC1 ZINC000183463710 395257514 /nfs/dbraw/zinc/25/75/14/395257514.db2.gz DLHGDFSRZXNQPC-UHFFFAOYSA-N 0 3 293.363 2.176 20 10 CECDHN COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1[O-] ZINC000020206672 171071196 /nfs/dbraw/zinc/07/11/96/171071196.db2.gz BNZNDJYMDCJRCN-JQWIXIFHSA-N 0 3 251.326 2.058 20 10 CECDHN COc1cccc(C[NH2+]C[C@@H](O)c2ccccc2)c1[O-] ZINC000035601310 172290273 /nfs/dbraw/zinc/29/02/73/172290273.db2.gz CKEKXRPSXALJQJ-CQSZACIVSA-N 0 3 273.332 2.224 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN2CCOCC2)c1 ZINC000035628869 172308242 /nfs/dbraw/zinc/30/82/42/172308242.db2.gz IDLOKMCWBDKNIF-CQSZACIVSA-N 0 3 278.396 2.074 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](C)N1CCN(C)CC1)c1ccccc1[O-] ZINC000155687993 261105951 /nfs/dbraw/zinc/10/59/51/261105951.db2.gz LEBVTBTZWHBWSI-GDBMZVCRSA-N 0 3 291.439 2.069 20 10 CECDHN COc1cc(Cl)cc(CN2CCC(C)(O)CC2)c1O ZINC000184695024 262026125 /nfs/dbraw/zinc/02/61/25/262026125.db2.gz SOHFUSOREJJSIR-UHFFFAOYSA-N 0 3 285.771 2.401 20 10 CECDHN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(C)cc1[O-])CC2 ZINC000185317991 262051119 /nfs/dbraw/zinc/05/11/19/262051119.db2.gz PXPFIGTYLHINSK-YPMHNXCESA-N 0 3 286.379 2.266 20 10 CECDHN C[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(F)ccc1[O-] ZINC000185194579 262301786 /nfs/dbraw/zinc/30/17/86/262301786.db2.gz HKWUJPVJGVOZDQ-SNVBAGLBSA-N 0 3 268.332 2.050 20 10 CECDHN CCOc1ccc(O)c(CN2CC[C@H]2COC)c1 ZINC000293738925 263148776 /nfs/dbraw/zinc/14/87/76/263148776.db2.gz VODJXMVIOXLBJL-LBPRGKRZSA-N 0 3 251.326 2.012 20 10 CECDHN C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297944510 263212763 /nfs/dbraw/zinc/21/27/63/263212763.db2.gz YIKIVNRQKBWCEV-KWCYVHTRSA-N 0 3 277.364 2.163 20 10 CECDHN [O-]c1ccc(Cl)cc1CN1CC[NH+]2CCC1CC2 ZINC000368039297 267140084 /nfs/dbraw/zinc/14/00/84/267140084.db2.gz FMSSUCIPBIVZEO-UHFFFAOYSA-N 0 3 266.772 2.326 20 10 CECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CN(C3CC3)CCO2)c([O-])c1 ZINC000368334610 267163706 /nfs/dbraw/zinc/16/37/06/267163706.db2.gz WEOLCEVXZKTLFZ-UKRRQHHQSA-N 0 3 290.407 2.214 20 10 CECDHN COc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369683984 267259388 /nfs/dbraw/zinc/25/93/88/267259388.db2.gz QYPKVPVOFYLABX-WCQYABFASA-N 0 3 263.337 2.012 20 10 CECDHN COc1cccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369683984 267259391 /nfs/dbraw/zinc/25/93/91/267259391.db2.gz QYPKVPVOFYLABX-WCQYABFASA-N 0 3 263.337 2.012 20 10 CECDHN CN(C)c1ccc(C2=CCN([C@@H]3CCOC3)C2)cc1 ZINC000370743258 267344223 /nfs/dbraw/zinc/34/42/23/267344223.db2.gz UYVXZIVJWVAWKH-MRXNPFEDSA-N 0 3 258.365 2.241 20 10 CECDHN CNC(=O)C1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000297823676 277223253 /nfs/dbraw/zinc/22/32/53/277223253.db2.gz RNIJQXXIACUQJE-JXQTWKCFSA-N 0 3 288.391 2.274 20 10 CECDHN Cc1cc(CN(C)CCn2cccn2)ccc1N(C)C ZINC000292974893 301271040 /nfs/dbraw/zinc/27/10/40/301271040.db2.gz DTFMMWMRFPGCAL-UHFFFAOYSA-N 0 3 272.396 2.390 20 10 CECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000185828531 327846839 /nfs/dbraw/zinc/84/68/39/327846839.db2.gz IOKSJAKINQZJBD-MASHWEEQSA-N 0 3 265.353 2.208 20 10 CECDHN C[C@H](NCc1cncn1C)c1ccc(N(C)C)cc1 ZINC000274725916 328005947 /nfs/dbraw/zinc/00/59/47/328005947.db2.gz ACXLSRREFXMWSB-LBPRGKRZSA-N 0 3 258.369 2.337 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000271842457 328197968 /nfs/dbraw/zinc/19/79/68/328197968.db2.gz RDZBTHDBFOTLBM-NEPJUHHUSA-N 0 3 265.353 2.306 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000377283295 329009821 /nfs/dbraw/zinc/00/98/21/329009821.db2.gz OKBUAUDGAZUHKK-CYBMUJFWSA-N 0 3 292.770 2.393 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c1[O-] ZINC000377283295 329009823 /nfs/dbraw/zinc/00/98/23/329009823.db2.gz OKBUAUDGAZUHKK-CYBMUJFWSA-N 0 3 292.770 2.393 20 10 CECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377696421 329025277 /nfs/dbraw/zinc/02/52/77/329025277.db2.gz NJODHJQWPWVPPU-ZDUSSCGKSA-N 0 3 298.390 2.283 20 10 CECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)c1 ZINC000377696421 329025279 /nfs/dbraw/zinc/02/52/79/329025279.db2.gz NJODHJQWPWVPPU-ZDUSSCGKSA-N 0 3 298.390 2.283 20 10 CECDHN C[N@@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000378493529 329052764 /nfs/dbraw/zinc/05/27/64/329052764.db2.gz IKTORLKYUDAGKQ-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN C[N@H+]1CC[C@@H]2CCN(Cc3cc(F)ccc3[O-])C[C@H]21 ZINC000378493529 329052766 /nfs/dbraw/zinc/05/27/66/329052766.db2.gz IKTORLKYUDAGKQ-BXUZGUMPSA-N 0 3 264.344 2.057 20 10 CECDHN COc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-] ZINC000190335021 329395035 /nfs/dbraw/zinc/39/50/35/329395035.db2.gz KXVLDTDJDGXJJF-YRGRVCCFSA-N 0 3 263.337 2.058 20 10 CECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN2CCSCC2)c1 ZINC000230661627 333320032 /nfs/dbraw/zinc/32/00/32/333320032.db2.gz ZKOJGQVFYWJKMJ-ZDUSSCGKSA-N 0 3 280.437 2.400 20 10 CECDHN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(F)ccc1[O-] ZINC000529643992 333503327 /nfs/dbraw/zinc/50/33/27/333503327.db2.gz LFPCWFJROPCPDE-YGRLFVJLSA-N 0 3 251.301 2.188 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134135241 334081598 /nfs/dbraw/zinc/08/15/98/334081598.db2.gz QIBWTWMWYHNSLH-HOCLYGCPSA-N 0 3 290.407 2.250 20 10 CECDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCOCC2)C1 ZINC000134135241 334081600 /nfs/dbraw/zinc/08/16/00/334081600.db2.gz QIBWTWMWYHNSLH-HOCLYGCPSA-N 0 3 290.407 2.250 20 10 CECDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])c1ccccc1 ZINC000134650527 334099294 /nfs/dbraw/zinc/09/92/94/334099294.db2.gz BQELPOWFSPLSDT-MRXNPFEDSA-N 0 3 257.333 2.390 20 10 CECDHN CCOc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000277911701 521153541 /nfs/dbraw/zinc/15/35/41/521153541.db2.gz PMJYBSHARPNMHC-RISCZKNCSA-N 0 3 265.353 2.306 20 10 CECDHN CCO[C@@H]1C[C@@H](NCc2ccc(OC)c(C)c2)[C@H]1OC ZINC000274846219 520367681 /nfs/dbraw/zinc/36/76/81/520367681.db2.gz AGZSXSAASOBENG-FVQBIDKESA-N 0 3 279.380 2.286 20 10 CECDHN CCCCN(C)C[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000290013982 520415332 /nfs/dbraw/zinc/41/53/32/520415332.db2.gz ZCAQLNPFXUZLJV-GFCCVEGCSA-N 0 3 294.395 2.331 20 10 CECDHN CCO[C@@H]1C[C@H](NCc2ccc(OC)c(C)c2)[C@@H]1OC ZINC000274846221 520429931 /nfs/dbraw/zinc/42/99/31/520429931.db2.gz AGZSXSAASOBENG-IMJJTQAJSA-N 0 3 279.380 2.286 20 10 CECDHN CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cccc(OC)c2[O-])C1 ZINC000125978987 521140024 /nfs/dbraw/zinc/14/00/24/521140024.db2.gz JFTOIGHAUSTYTO-YPMHNXCESA-N 0 3 293.363 2.222 20 10 CECDHN CCOc1cccc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000279654740 521363257 /nfs/dbraw/zinc/36/32/57/521363257.db2.gz FMRFEBXAIJVGCE-UHFFFAOYSA-N 0 3 276.380 2.142 20 10 CECDHN CCOc1cccc(CNCc2cccnc2)c1O ZINC000020140830 521367318 /nfs/dbraw/zinc/36/73/18/521367318.db2.gz YRCMYWCCYPZPTB-UHFFFAOYSA-N 0 3 258.321 2.476 20 10 CECDHN CCCN(CC(=O)NC(C)C)Cc1ccccc1O ZINC000069009942 521541814 /nfs/dbraw/zinc/54/18/14/521541814.db2.gz WJJRARUDAAVMQC-UHFFFAOYSA-N 0 3 264.369 2.129 20 10 CECDHN CC[C@H](CNCc1ccc(N(C)C)c(F)c1)OC ZINC000289795107 522198607 /nfs/dbraw/zinc/19/86/07/522198607.db2.gz LTLXLMMCJAXAAM-GFCCVEGCSA-N 0 3 254.349 2.406 20 10 CECDHN CN(C)c1ccc(CNC[C@](C)(O)c2ccco2)cc1 ZINC000266162939 522209589 /nfs/dbraw/zinc/20/95/89/522209589.db2.gz OHGROBSDCFOARB-INIZCTEOSA-N 0 3 274.364 2.343 20 10 CECDHN CN(C)c1ccc(CNCc2c[nH]c3nccnc23)cc1 ZINC000290929342 522209841 /nfs/dbraw/zinc/20/98/41/522209841.db2.gz RSVXLTJNBWSRBJ-UHFFFAOYSA-N 0 3 281.363 2.314 20 10 CECDHN CC[C@H]([NH2+][C@@H](C)CN1CCOCC1)c1ccc(C)cc1[O-] ZINC000280032656 522688068 /nfs/dbraw/zinc/68/80/68/522688068.db2.gz IHKLIWWUVRIUKA-HOCLYGCPSA-N 0 3 292.423 2.462 20 10 CECDHN CC[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1[O-] ZINC000280239238 522853501 /nfs/dbraw/zinc/85/35/01/522853501.db2.gz VWYHDBWPDXSFIW-GDBMZVCRSA-N 0 3 289.379 2.208 20 10 CECDHN COCCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000151222658 523063279 /nfs/dbraw/zinc/06/32/79/523063279.db2.gz BCDYCNCMFCFBRI-UHFFFAOYSA-N 0 3 279.336 2.027 20 10 CECDHN CO[C@H](C)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000289591475 523879212 /nfs/dbraw/zinc/87/92/12/523879212.db2.gz KMITUAPIKZGEFU-LLVKDONJSA-N 0 3 254.349 2.358 20 10 CECDHN CN(C)C/C=C/C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000264645726 524033540 /nfs/dbraw/zinc/03/35/40/524033540.db2.gz RMCKPTNFRJMSLA-AATRIKPKSA-N 0 3 287.407 2.021 20 10 CECDHN Cc1cccc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279607291 524402345 /nfs/dbraw/zinc/40/23/45/524402345.db2.gz FFYMFZSTCKQPPT-CZUORRHYSA-N 0 3 277.364 2.080 20 10 CECDHN COc1ccc([O-])c(C[NH2+]CC2(CO)CC3(CCC3)C2)c1 ZINC000279387747 524750093 /nfs/dbraw/zinc/75/00/93/524750093.db2.gz LCZWFGMBSYPAQD-UHFFFAOYSA-N 0 3 291.391 2.433 20 10 CECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2([S@@](C)=O)CCC2)c1 ZINC000281071295 524762968 /nfs/dbraw/zinc/76/29/68/524762968.db2.gz OGOCLBCPEJUQGK-BIBXISHDSA-N 0 3 297.420 2.353 20 10 CECDHN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccccc1[O-] ZINC000281125100 525322024 /nfs/dbraw/zinc/32/20/24/525322024.db2.gz SOPYOABRXSYZAR-VOJFVSQTSA-N 0 3 267.394 2.344 20 10 CECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cnn(C)c1 ZINC000044495343 525525558 /nfs/dbraw/zinc/52/55/58/525525558.db2.gz NRFKHBXXEQWOAV-GFCCVEGCSA-N 0 3 258.369 2.337 20 10 CECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2cc(C)ccc2[O-])o1 ZINC000265985892 525780125 /nfs/dbraw/zinc/78/01/25/525780125.db2.gz NFWJROHFYCBVLC-AWEZNQCLSA-N 0 3 261.321 2.425 20 10 CECDHN c1cncc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000020141290 526546519 /nfs/dbraw/zinc/54/65/19/526546519.db2.gz KPCPKVOEMRQLBC-UHFFFAOYSA-N 0 3 283.375 2.208 20 10 CECDHN COC(=O)C1CCC([NH2+]Cc2ccc(OC)cc2[O-])CC1 ZINC000730107481 574501910 /nfs/dbraw/zinc/50/19/10/574501910.db2.gz LKKCYDMISHCIAP-UHFFFAOYSA-N 0 3 293.363 2.222 20 10 CECDHN CCC[C@@](C)(CO)[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000751501880 575290606 /nfs/dbraw/zinc/29/06/06/575290606.db2.gz RUGUGPNTUNLLHX-HNNXBMFYSA-N 0 3 267.369 2.432 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccc(C)o1 ZINC000741260617 574979765 /nfs/dbraw/zinc/97/97/65/574979765.db2.gz IJXCXGNIAQKXGL-CYBMUJFWSA-N 0 3 277.320 2.125 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCCC1 ZINC000743869826 575111690 /nfs/dbraw/zinc/11/16/90/575111690.db2.gz BRROQKFUYWNFOL-INIZCTEOSA-N 0 3 292.423 2.061 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CN1CCCC1 ZINC000743869826 575111692 /nfs/dbraw/zinc/11/16/92/575111692.db2.gz BRROQKFUYWNFOL-INIZCTEOSA-N 0 3 292.423 2.061 20 10 CECDHN C[C@@H](CNC(=O)NCc1ccccc1O)N1CCCCC1 ZINC000748460325 575187230 /nfs/dbraw/zinc/18/72/30/575187230.db2.gz NYNCATRWJNDKAM-ZDUSSCGKSA-N 0 3 291.395 2.066 20 10 CECDHN CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)F)N(C)C)cc1 ZINC000891249560 623325916 /nfs/dbraw/zinc/32/59/16/623325916.db2.gz UQYKIQHVIADVHY-CQSZACIVSA-N 0 3 295.402 2.220 20 10 CECDHN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cc(F)ccc1[O-] ZINC000829208207 624839756 /nfs/dbraw/zinc/83/97/56/624839756.db2.gz GYGCUPPLXLMMQJ-ZJUUUORDSA-N 0 3 253.317 2.343 20 10 CECDHN CCOc1ccc(C[NH2+]CCCn2ccnc2C)c([O-])c1 ZINC000725846684 625768312 /nfs/dbraw/zinc/76/83/12/625768312.db2.gz KYVBXDSNARBFCS-UHFFFAOYSA-N 0 3 289.379 2.476 20 10 CECDHN CN(C)C1(C(=O)NCCCSc2nccs2)CCC1 ZINC000158871993 629237700 /nfs/dbraw/zinc/23/77/00/629237700.db2.gz LXDNUINOJLOWCX-UHFFFAOYSA-N 0 3 299.465 2.226 20 10 CECDHN COc1cc(CN2CCC[C@H]2C2OCCO2)c(O)cc1C ZINC000902624279 634739668 /nfs/dbraw/zinc/73/96/68/634739668.db2.gz HPBJOPLVJQZGQT-ZDUSSCGKSA-N 0 3 293.363 2.047 20 10 CECDHN COc1ccc(CN2C[C@H](C)[C@H]2C)c(O)c1OC ZINC000894627535 629562283 /nfs/dbraw/zinc/56/22/83/629562283.db2.gz IXBKSJXYWAJFLY-VHSXEESVSA-N 0 3 251.326 2.250 20 10 CECDHN COc1ccc(CN2CCC[C@@H]3COC[C@@H]32)c(O)c1OC ZINC000894862782 629701784 /nfs/dbraw/zinc/70/17/84/629701784.db2.gz JRKSANVBAACGHG-OLZOCXBDSA-N 0 3 293.363 2.020 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@@H](CC)C(=O)OC)c([O-])c1 ZINC000895119886 629922284 /nfs/dbraw/zinc/92/22/84/629922284.db2.gz IQSQURPJSGPWJR-LLVKDONJSA-N 0 3 281.352 2.080 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CC2)COCCO3)c([O-])c1 ZINC000895698197 630310253 /nfs/dbraw/zinc/31/02/53/630310253.db2.gz CQXNWWSKBVHBOI-UHFFFAOYSA-N 0 3 277.364 2.082 20 10 CECDHN CSCCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000799159166 630987441 /nfs/dbraw/zinc/98/74/41/630987441.db2.gz DQPNDBXDJVSIST-CYBMUJFWSA-N 0 3 283.393 2.003 20 10 CECDHN CSCCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000799159166 630987445 /nfs/dbraw/zinc/98/74/45/630987445.db2.gz DQPNDBXDJVSIST-CYBMUJFWSA-N 0 3 283.393 2.003 20 10 CECDHN CC[C@H]([NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1[O-] ZINC000802313016 631424134 /nfs/dbraw/zinc/42/41/34/631424134.db2.gz DTXYONVFOSDFSA-JSGCOSHPSA-N 0 3 276.380 2.490 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528507 631662460 /nfs/dbraw/zinc/66/24/60/631662460.db2.gz JFCHHFJZXCECEP-UHFFFAOYSA-N 0 3 265.328 2.316 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897781094 631913423 /nfs/dbraw/zinc/91/34/23/631913423.db2.gz OXKLQZZBLRYUTP-OPGSHWCFSA-N 0 3 277.364 2.448 20 10 CECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000808689172 632001426 /nfs/dbraw/zinc/00/14/26/632001426.db2.gz ZLTFJSLXCLUFBV-ONGXEEELSA-N 0 3 282.771 2.235 20 10 CECDHN CCOc1ccc(O)c(CN(C)[C@@H](CO)COC(C)C)c1 ZINC000809768773 632143896 /nfs/dbraw/zinc/14/38/96/632143896.db2.gz WOOWJMOPJZLJAM-AWEZNQCLSA-N 0 3 297.395 2.009 20 10 CECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188839 632157114 /nfs/dbraw/zinc/15/71/14/632157114.db2.gz MXZHIUGLPBOUNY-MLGOLLRUSA-N 0 3 289.375 2.440 20 10 CECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCC3)C1)[C@H](O)CO2 ZINC000840188839 632157119 /nfs/dbraw/zinc/15/71/19/632157119.db2.gz MXZHIUGLPBOUNY-MLGOLLRUSA-N 0 3 289.375 2.440 20 10 CECDHN CCOc1ccc(C[NH2+]C[C@H](CC)OC)c([O-])c1 ZINC000810176840 632191808 /nfs/dbraw/zinc/19/18/08/632191808.db2.gz ZJLXULBVUMUIHY-LBPRGKRZSA-N 0 3 253.342 2.306 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043585 632338938 /nfs/dbraw/zinc/33/89/38/632338938.db2.gz UHLMKCNKMQCXDY-SNVBAGLBSA-N 0 3 258.724 2.026 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCNC1 ZINC000841043585 632338946 /nfs/dbraw/zinc/33/89/46/632338946.db2.gz UHLMKCNKMQCXDY-SNVBAGLBSA-N 0 3 258.724 2.026 20 10 CECDHN CCO[C@H](C[NH2+][C@@H](CC)c1ccccc1[O-])CN(C)C ZINC000926958247 632385959 /nfs/dbraw/zinc/38/59/59/632385959.db2.gz FIBNYHLDSLSSCY-HIFRSBDPSA-N 0 3 280.412 2.400 20 10 CECDHN CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1ccccc1[O-] ZINC000927080448 632448711 /nfs/dbraw/zinc/44/87/11/632448711.db2.gz KVJZACDLWWFPJK-TZMCWYRMSA-N 0 3 265.353 2.238 20 10 CECDHN CC[C@@H]([NH2+]CCO[C@H]1CCOC1)c1ccccc1[O-] ZINC000927080422 632448836 /nfs/dbraw/zinc/44/88/36/632448836.db2.gz KVJZACDLWWFPJK-GXTWGEPZSA-N 0 3 265.353 2.238 20 10 CECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C2COCCOC2)c1[O-] ZINC000813879487 632751940 /nfs/dbraw/zinc/75/19/40/632751940.db2.gz MOAALSXHMFXQLJ-SNVBAGLBSA-N 0 3 285.771 2.420 20 10 CECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CC(N)=O)CC2)c1 ZINC000817586430 633702952 /nfs/dbraw/zinc/70/29/52/633702952.db2.gz OHURZPNDUHJIPN-LLVKDONJSA-N 0 3 262.353 2.007 20 10 CECDHN C[C@H](NCC[NH2+]C1CC1)c1cc(F)cc(F)c1[O-] ZINC000817952371 633797090 /nfs/dbraw/zinc/79/70/90/633797090.db2.gz FAOPWBVSJSNCMZ-QMMMGPOBSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@H]([NH2+]CCNC1CC1)c1cc(F)cc(F)c1[O-] ZINC000817952371 633797094 /nfs/dbraw/zinc/79/70/94/633797094.db2.gz FAOPWBVSJSNCMZ-QMMMGPOBSA-N 0 3 256.296 2.073 20 10 CECDHN C[C@@H]1C[C@@H](NCCc2ccc(N)cc2)c2nccn21 ZINC000817957796 633799936 /nfs/dbraw/zinc/79/99/36/633799936.db2.gz PGFAYDPOPIXJAG-BXUZGUMPSA-N 0 3 256.353 2.303 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]Cc1cnn(CCF)c1)CC2 ZINC000903274710 635040871 /nfs/dbraw/zinc/04/08/71/635040871.db2.gz RAFJZWOVMGIYLF-ZDUSSCGKSA-N 0 3 275.327 2.335 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)CC2 ZINC000903441169 635120800 /nfs/dbraw/zinc/12/08/00/635120800.db2.gz YJMAWVJKXLDFIG-MJBXVCDLSA-N 0 3 259.349 2.394 20 10 CECDHN CCOc1ccc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c([O-])c1 ZINC000824635310 635467371 /nfs/dbraw/zinc/46/73/71/635467371.db2.gz GPYFTJCSQSHIQL-YPMHNXCESA-N 0 3 289.322 2.285 20 10 CECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124198 635573562 /nfs/dbraw/zinc/57/35/62/635573562.db2.gz JXXKDRHSMKKKFK-QPUJVOFHSA-N 0 3 293.260 2.276 20 10 CECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124198 635573567 /nfs/dbraw/zinc/57/35/67/635573567.db2.gz JXXKDRHSMKKKFK-QPUJVOFHSA-N 0 3 293.260 2.276 20 10 CECDHN Nc1ccnc(CNCc2ccc3c(c2)CCCO3)c1 ZINC000904385981 635608254 /nfs/dbraw/zinc/60/82/54/635608254.db2.gz MBNACXWHXAVPGA-UHFFFAOYSA-N 0 3 269.348 2.279 20 10 CECDHN CN(CC(=O)N1Cc2cccc(O)c2C1)CC(C)(C)C ZINC000825356024 635624769 /nfs/dbraw/zinc/62/47/69/635624769.db2.gz HEAGUBTZMRASSR-UHFFFAOYSA-N 0 3 276.380 2.212 20 10 CECDHN Cc1cc([O-])c(CN2CC[C@H]([NH+](C)C)C2)cc1Cl ZINC000825916062 635731362 /nfs/dbraw/zinc/73/13/62/635731362.db2.gz IPXOOLZTKUZBNP-LBPRGKRZSA-N 0 3 268.788 2.490 20 10 CECDHN C[C@@H]1CN(Cc2ccc(N(C)C)c(F)c2)C[C@H](C)[C@H]1O ZINC000827152368 636239772 /nfs/dbraw/zinc/23/97/72/636239772.db2.gz SRARPGWYUVENPS-ATCWAGBWSA-N 0 3 280.387 2.340 20 10 CECDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(C)c2[O-])C1 ZINC000827501366 636338561 /nfs/dbraw/zinc/33/85/61/636338561.db2.gz WIYRNAZWYPOEHH-WVSHTKLVSA-N 0 3 283.755 2.395 20 10 CECDHN Cc1cc(CN2CC[C@](O)(C(F)F)C2)ccc1N(C)C ZINC000831181533 637247201 /nfs/dbraw/zinc/24/72/01/637247201.db2.gz OLHKVMTWBAZERE-OAHLLOKOSA-N 0 3 284.350 2.263 20 10 CECDHN [O-]c1c(F)cccc1C[NH2+][C@H]1CCNC2(CCC2)C1 ZINC000841089348 637710130 /nfs/dbraw/zinc/71/01/30/637710130.db2.gz LSVCGJRMGSKCHG-LBPRGKRZSA-N 0 3 264.344 2.296 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOC[C@H]1CCCO1)CC2 ZINC000834588332 637883137 /nfs/dbraw/zinc/88/31/37/637883137.db2.gz AXOJEIMKPIMJRZ-KGLIPLIRSA-N 0 3 277.364 2.165 20 10 CECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CC2 ZINC000834808232 637956793 /nfs/dbraw/zinc/95/67/93/637956793.db2.gz YPFPJXSCJCUKFI-AAEUAGOBSA-N 0 3 269.348 2.250 20 10 CECDHN COCC(COC)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000834894081 637980261 /nfs/dbraw/zinc/98/02/61/637980261.db2.gz YYJMFGCWXPDMHJ-BXKDBHETSA-N 0 3 283.343 2.331 20 10 CECDHN C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1ccccc1[O-] ZINC000834914460 637987064 /nfs/dbraw/zinc/98/70/64/637987064.db2.gz MYJZJDUSCFAFFX-SCRDCRAPSA-N 0 3 274.364 2.196 20 10 CECDHN COCCN(C/C=C/c1ccc(N(C)C)cc1)CCOC ZINC000835024967 638029082 /nfs/dbraw/zinc/02/90/82/638029082.db2.gz FCSSZKYCXHYDGU-AATRIKPKSA-N 0 3 292.423 2.361 20 10 CECDHN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](N)CCC(C)C)c1 ZINC000876878734 650469621 /nfs/dbraw/zinc/46/96/21/650469621.db2.gz JTGSRCXDJOOZKG-FZMZJTMJSA-N 0 3 294.395 2.342 20 10 CECDHN Cc1nn(C)c(C)c1CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876906779 650481601 /nfs/dbraw/zinc/48/16/01/650481601.db2.gz HWEBLHPDWVKDTB-UHFFFAOYSA-N 0 3 273.380 2.383 20 10 CECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)COc1ccccc1 ZINC000876918965 650486163 /nfs/dbraw/zinc/48/61/63/650486163.db2.gz PVTOUCZBNHFZGH-AWEZNQCLSA-N 0 3 287.359 2.230 20 10 CECDHN CCN(CC)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000057550222 639451457 /nfs/dbraw/zinc/45/14/57/639451457.db2.gz SPVCZACCUQEDCY-UHFFFAOYSA-N 0 3 289.423 2.027 20 10 CECDHN Cc1cc(N(C)C)ccc1CN[C@H](CO)CC(F)(F)F ZINC000840938038 639592359 /nfs/dbraw/zinc/59/23/59/639592359.db2.gz YUUYPJPARQHVBU-LBPRGKRZSA-N 0 3 290.329 2.464 20 10 CECDHN C[C@@H]1C[C@H](NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[NH2+]1 ZINC000841060719 639636579 /nfs/dbraw/zinc/63/65/79/639636579.db2.gz BLOIJMGDTSCYFY-LDYMZIIASA-N 0 3 299.758 2.184 20 10 CECDHN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)[C@@H](C)N)c1 ZINC000841077074 639647541 /nfs/dbraw/zinc/64/75/41/639647541.db2.gz YDHXWYIZBWMPLZ-RKDXNWHRSA-N 0 3 287.201 2.288 20 10 CECDHN CC1(C)[NH2+]CC[C@@H]1NCc1cc(Cl)ccc1[O-] ZINC000841085657 639651762 /nfs/dbraw/zinc/65/17/62/639651762.db2.gz JHRAAZWPUDGIGW-LBPRGKRZSA-N 0 3 254.761 2.276 20 10 CECDHN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCCNC1 ZINC000841089509 639653073 /nfs/dbraw/zinc/65/30/73/639653073.db2.gz HTAKUYNIWVCDGU-LLVKDONJSA-N 0 3 272.751 2.416 20 10 CECDHN Cc1ccc(C[NH2+]CCCOC[C@@H]2CCOC2)c([O-])c1 ZINC000877060479 650554500 /nfs/dbraw/zinc/55/45/00/650554500.db2.gz YOBXUJCCBQCTRZ-AWEZNQCLSA-N 0 3 279.380 2.233 20 10 CECDHN CCN(CC)c1ccc(CN[C@@H]2COC[C@H]2OC)cc1 ZINC000842752719 640169356 /nfs/dbraw/zinc/16/93/56/640169356.db2.gz SBPGNTXZLMMKTN-HZPDHXFCSA-N 0 3 278.396 2.036 20 10 CECDHN C[C@@H]([NH2+]CCc1cn(C)cn1)c1cc(F)ccc1[O-] ZINC000313251096 640194630 /nfs/dbraw/zinc/19/46/30/640194630.db2.gz HZMACTUTAASJFA-SNVBAGLBSA-N 0 3 263.316 2.158 20 10 CECDHN C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(F)c1[O-] ZINC000843045892 640251429 /nfs/dbraw/zinc/25/14/29/640251429.db2.gz LMRPJZBWUYTYPX-MFKMUULPSA-N 0 3 252.333 2.233 20 10 CECDHN C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])[C@H]1CN ZINC000843052573 640256479 /nfs/dbraw/zinc/25/64/79/640256479.db2.gz VUTXLBFIHWQBMC-GWCFXTLKSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])[C@H]1CN ZINC000843052573 640256487 /nfs/dbraw/zinc/25/64/87/640256487.db2.gz VUTXLBFIHWQBMC-GWCFXTLKSA-N 0 3 252.333 2.091 20 10 CECDHN C[C@H]1CCCN(Cc2cccc(F)c2[O-])[C@H]1C[NH3+] ZINC000843052573 640256494 /nfs/dbraw/zinc/25/64/94/640256494.db2.gz VUTXLBFIHWQBMC-GWCFXTLKSA-N 0 3 252.333 2.091 20 10 CECDHN [NH3+][C@@H]1CN(Cc2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC000843116575 640287307 /nfs/dbraw/zinc/28/73/07/640287307.db2.gz ZYUJVRRIEQWYAO-GOEBONIOSA-N 0 3 286.350 2.458 20 10 CECDHN N[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC000843116575 640287313 /nfs/dbraw/zinc/28/73/13/640287313.db2.gz ZYUJVRRIEQWYAO-GOEBONIOSA-N 0 3 286.350 2.458 20 10 CECDHN N[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1c1ccccc1 ZINC000843116575 640287320 /nfs/dbraw/zinc/28/73/20/640287320.db2.gz ZYUJVRRIEQWYAO-GOEBONIOSA-N 0 3 286.350 2.458 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2[C@@H](C)[NH3+])c1[O-] ZINC000843346096 640397355 /nfs/dbraw/zinc/39/73/55/640397355.db2.gz LSVAJBNEGJGCIP-BMIGLBTASA-N 0 3 294.370 2.436 20 10 CECDHN CC1(C(N)=O)C[NH+](Cc2cc(-c3ccccc3)ccc2[O-])C1 ZINC000843415523 640420792 /nfs/dbraw/zinc/42/07/92/640420792.db2.gz ICNGMRYUAZAAEN-UHFFFAOYSA-N 0 3 296.370 2.366 20 10 CECDHN CCO[C@@H]1CN(Cc2c([O-])cc(C)cc2Cl)C[C@H]1C[NH3+] ZINC000844903942 640861440 /nfs/dbraw/zinc/86/14/40/640861440.db2.gz SLISRXVNWMLJPL-IAQYHMDHSA-N 0 3 298.814 2.150 20 10 CECDHN CCn1nnc(C)c1CN[C@H](C)c1cc(OC)ccc1O ZINC000845971793 641141098 /nfs/dbraw/zinc/14/10/98/641141098.db2.gz NCBJRMHOYQJPLD-SNVBAGLBSA-N 0 3 290.367 2.171 20 10 CECDHN COc1ccc(O)c([C@H](C)NCc2cncnc2)c1 ZINC000845973258 641142111 /nfs/dbraw/zinc/14/21/11/641142111.db2.gz WXFHVHLRNVIOLD-JTQLQIEISA-N 0 3 259.309 2.042 20 10 CECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846057163 641165849 /nfs/dbraw/zinc/16/58/49/641165849.db2.gz UKAVGAPUAGUFKU-UHFFFAOYSA-N 0 3 290.342 2.035 20 10 CECDHN C[C@@H]1C[C@H]([NH2+]CC[C@]2(O)CCOC2)c2c1c(F)ccc2[O-] ZINC000846191237 641217994 /nfs/dbraw/zinc/21/79/94/641217994.db2.gz AZCXFLXMQZNNOY-XAGWURHQSA-N 0 3 295.354 2.211 20 10 CECDHN C[C@H]([NH2+]CCCOC[C@H]1CCOC1)c1ccccc1[O-] ZINC000183525356 641760433 /nfs/dbraw/zinc/76/04/33/641760433.db2.gz YSWSEWDWNTZPGL-UONOGXRCSA-N 0 3 279.380 2.486 20 10 CECDHN COc1ccc(C[NH2+]Cc2ccc(CO)cc2)c([O-])c1 ZINC000227464684 641874184 /nfs/dbraw/zinc/87/41/84/641874184.db2.gz BZDJQNJLNYICBR-UHFFFAOYSA-N 0 3 273.332 2.183 20 10 CECDHN C[NH+](C)C1CC(NCc2c([O-])ccc(Cl)c2F)C1 ZINC000848558693 642053503 /nfs/dbraw/zinc/05/35/03/642053503.db2.gz SRXCIZHKGVRAOE-UHFFFAOYSA-N 0 3 272.751 2.367 20 10 CECDHN CN(C)C1CC([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000848558693 642053510 /nfs/dbraw/zinc/05/35/10/642053510.db2.gz SRXCIZHKGVRAOE-UHFFFAOYSA-N 0 3 272.751 2.367 20 10 CECDHN Cc1cc([O-])c(CN[C@H](C[NH3+])C(F)(F)F)c(Cl)c1 ZINC000848714534 642109565 /nfs/dbraw/zinc/10/95/65/642109565.db2.gz QKGRIKYDXXZXNZ-SNVBAGLBSA-N 0 3 282.693 2.333 20 10 CECDHN Cc1ccc(CN2CCCN(C(=O)C3CC3)CC2)c(O)c1 ZINC000877457831 650727985 /nfs/dbraw/zinc/72/79/85/650727985.db2.gz DBNUVLZAIZQLDD-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN COc1ccc(CNC(=[NH2+])NCCC(C)C)c([O-])c1 ZINC000849024981 642238505 /nfs/dbraw/zinc/23/85/05/642238505.db2.gz IBBQOMMCTOEGML-UHFFFAOYSA-N 0 3 265.357 2.061 20 10 CECDHN COc1ccc(CNC(=[NH2+])NC2CCCCC2)c([O-])c1 ZINC000849025038 642238560 /nfs/dbraw/zinc/23/85/60/642238560.db2.gz KKFMPTYGEVZCEL-UHFFFAOYSA-N 0 3 277.368 2.347 20 10 CECDHN Cc1ccc(C[NH+]2CCC3(CCN(C)C3=O)CC2)c([O-])c1 ZINC000877481392 650742591 /nfs/dbraw/zinc/74/25/91/650742591.db2.gz GFBKGYSZOPFMSR-UHFFFAOYSA-N 0 3 288.391 2.145 20 10 CECDHN COc1cccc(CNCc2c(C3CC3)cnn2C)c1O ZINC000850380390 642692372 /nfs/dbraw/zinc/69/23/72/642692372.db2.gz UFHFXCZZJXOHFU-UHFFFAOYSA-N 0 3 287.363 2.302 20 10 CECDHN C[C@@H]([NH2+]CC[S@](=O)CC(F)(F)F)c1ccccc1[O-] ZINC000850495681 642731988 /nfs/dbraw/zinc/73/19/88/642731988.db2.gz HFRMVJJJXVXNOC-HOGDKLEQSA-N 0 3 295.326 2.354 20 10 CECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H](O)C13CCC3)CC2 ZINC000850547849 642749578 /nfs/dbraw/zinc/74/95/78/642749578.db2.gz XIQCTVQJGCOEFW-XBFCOCLRSA-N 0 3 259.349 2.273 20 10 CECDHN Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)c([O-])c1 ZINC000877553602 650784173 /nfs/dbraw/zinc/78/41/73/650784173.db2.gz AUHBTSYNTCHHAL-IRXDYDNUSA-N 0 3 291.391 2.110 20 10 CECDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000877561295 650790464 /nfs/dbraw/zinc/79/04/64/650790464.db2.gz DRHDOALIHDQKHV-BZUAXINKSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c([O-])c1 ZINC000877561295 650790466 /nfs/dbraw/zinc/79/04/66/650790466.db2.gz DRHDOALIHDQKHV-BZUAXINKSA-N 0 3 291.391 2.062 20 10 CECDHN Cc1ccc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000877593556 650805169 /nfs/dbraw/zinc/80/51/69/650805169.db2.gz VXHNNMQDUSMZOE-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1ccc(C[N@H+](C)C(C)(C)CN2CCOCC2)c([O-])c1 ZINC000877593556 650805170 /nfs/dbraw/zinc/80/51/70/650805170.db2.gz VXHNNMQDUSMZOE-UHFFFAOYSA-N 0 3 292.423 2.243 20 10 CECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c([O-])c1 ZINC000877623012 650818646 /nfs/dbraw/zinc/81/86/46/650818646.db2.gz GVLJGIJCHPXWLG-BIENJYKASA-N 0 3 281.421 2.480 20 10 CECDHN Cc1cccc([O-])c1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877691630 650852960 /nfs/dbraw/zinc/85/29/60/650852960.db2.gz NHTLNUNPOOHEIQ-UHFFFAOYSA-N 0 3 293.407 2.048 20 10 CECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187809 644184017 /nfs/dbraw/zinc/18/40/17/644184017.db2.gz OWRYLMRNJKJFPY-YPMHNXCESA-N 0 3 263.337 2.012 20 10 CECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839187809 644184021 /nfs/dbraw/zinc/18/40/21/644184021.db2.gz OWRYLMRNJKJFPY-YPMHNXCESA-N 0 3 263.337 2.012 20 10 CECDHN C[C@H]([NH2+]Cc1cnc(N(C)C)nc1)c1ccccc1[O-] ZINC000877757027 650900275 /nfs/dbraw/zinc/90/02/75/650900275.db2.gz AGHBRNVVEIYTKJ-NSHDSACASA-N 0 3 272.352 2.099 20 10 CECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCn2nccc21 ZINC000877779083 650907197 /nfs/dbraw/zinc/90/71/97/650907197.db2.gz YBBBYVZVWOQEMO-LBPRGKRZSA-N 0 3 261.300 2.353 20 10 CECDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000756776132 644691387 /nfs/dbraw/zinc/69/13/87/644691387.db2.gz WPRGWVYLXLGWBX-UFGOTCBOSA-N 0 3 280.343 2.097 20 10 CECDHN C[C@@H]([NH2+]C1COC(C)(C)OC1)c1ccccc1[O-] ZINC000757697905 644838204 /nfs/dbraw/zinc/83/82/04/644838204.db2.gz NJSDFTLFZQXYAJ-SNVBAGLBSA-N 0 3 251.326 2.194 20 10 CECDHN CC[C@@H](N[C@H](C)C(=O)N(C)OC)c1ccc(N(C)C)cc1 ZINC000858586727 645213172 /nfs/dbraw/zinc/21/31/72/645213172.db2.gz JTOREOPWOQPTOA-IUODEOHRSA-N 0 3 293.411 2.202 20 10 CECDHN CCOc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c([O-])c1 ZINC000762627889 645431681 /nfs/dbraw/zinc/43/16/81/645431681.db2.gz IVTUFTGHRYQXNF-SNVBAGLBSA-N 0 3 253.342 2.040 20 10 CECDHN CC(C)CC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439258 646121991 /nfs/dbraw/zinc/12/19/91/646121991.db2.gz FEMGRIBFCYHKLC-AWEZNQCLSA-N 0 3 265.353 2.296 20 10 CECDHN CC(C)CC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768439258 646121998 /nfs/dbraw/zinc/12/19/98/646121998.db2.gz FEMGRIBFCYHKLC-AWEZNQCLSA-N 0 3 265.353 2.296 20 10 CECDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449527 646125673 /nfs/dbraw/zinc/12/56/73/646125673.db2.gz ZYNGKLINLGQFKY-GPCCPHFNSA-N 0 3 263.337 2.048 20 10 CECDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768449527 646125675 /nfs/dbraw/zinc/12/56/75/646125675.db2.gz ZYNGKLINLGQFKY-GPCCPHFNSA-N 0 3 263.337 2.048 20 10 CECDHN CCOC1CC[NH+](Cc2c([O-])cccc2OC)CC1 ZINC000768527482 646136089 /nfs/dbraw/zinc/13/60/89/646136089.db2.gz KTYPHVPOJNJKBV-UHFFFAOYSA-N 0 3 265.353 2.402 20 10 CECDHN CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CC(N)=O)c([O-])c1 ZINC000769147222 646216124 /nfs/dbraw/zinc/21/61/24/646216124.db2.gz COCYFEUQYDLDKE-CYBMUJFWSA-N 0 3 292.379 2.021 20 10 CECDHN CCOc1ccc(C[N@H+]2CCCC[C@@H]2CC(N)=O)c([O-])c1 ZINC000769147222 646216129 /nfs/dbraw/zinc/21/61/29/646216129.db2.gz COCYFEUQYDLDKE-CYBMUJFWSA-N 0 3 292.379 2.021 20 10 CECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000769710565 646304980 /nfs/dbraw/zinc/30/49/80/646304980.db2.gz NCEJNOWWMOYAQI-WDEREUQCSA-N 0 3 251.326 2.058 20 10 CECDHN O=C(/C=C\c1ccc(O)c(O)c1)OCCN1CCCCC1 ZINC000770403532 646388390 /nfs/dbraw/zinc/38/83/90/646388390.db2.gz KBZBJUUFCLPZHC-ALCCZGGFSA-N 0 3 291.347 2.140 20 10 CECDHN C[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)c1ccc(F)cc1[O-] ZINC000863546638 646753983 /nfs/dbraw/zinc/75/39/83/646753983.db2.gz MBVUPWOYGJDFRM-SCVCMEIPSA-N 0 3 252.333 2.322 20 10 CECDHN CC[C@H](NCc1ccnc(N(C)C)n1)c1ccccc1O ZINC000775531639 646963669 /nfs/dbraw/zinc/96/36/69/646963669.db2.gz KBISUSMOUJVJPG-AWEZNQCLSA-N 0 3 286.379 2.489 20 10 CECDHN CC[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1ccccc1[O-] ZINC000775531639 646963672 /nfs/dbraw/zinc/96/36/72/646963672.db2.gz KBISUSMOUJVJPG-AWEZNQCLSA-N 0 3 286.379 2.489 20 10 CECDHN Cc1cc(Cl)cc(C[N@H+](C)CCN2CCCC2=O)c1[O-] ZINC000775690504 646980717 /nfs/dbraw/zinc/98/07/17/646980717.db2.gz HQHQYCMXHNEOFP-UHFFFAOYSA-N 0 3 296.798 2.408 20 10 CECDHN Cc1cc(Cl)cc(C[N@@H+](C)CCN2CCCC2=O)c1[O-] ZINC000775690504 646980718 /nfs/dbraw/zinc/98/07/18/646980718.db2.gz HQHQYCMXHNEOFP-UHFFFAOYSA-N 0 3 296.798 2.408 20 10 CECDHN Cc1cc(Cl)cc(CN(C)CCN2CCCC2=O)c1O ZINC000775690504 646980722 /nfs/dbraw/zinc/98/07/22/646980722.db2.gz HQHQYCMXHNEOFP-UHFFFAOYSA-N 0 3 296.798 2.408 20 10 CECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000778208361 647210242 /nfs/dbraw/zinc/21/02/42/647210242.db2.gz KHZKTKBGKYABIP-LLVKDONJSA-N 0 3 265.353 2.448 20 10 CECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C)C1=O ZINC000778945456 647276011 /nfs/dbraw/zinc/27/60/11/647276011.db2.gz GRQKXUHBFMUNQQ-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C)C1=O ZINC000778945456 647276017 /nfs/dbraw/zinc/27/60/17/647276017.db2.gz GRQKXUHBFMUNQQ-CQSZACIVSA-N 0 3 276.380 2.225 20 10 CECDHN COc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000779152979 647292840 /nfs/dbraw/zinc/29/28/40/647292840.db2.gz IQENZDYLVIXXGS-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000779152979 647292842 /nfs/dbraw/zinc/29/28/42/647292842.db2.gz IQENZDYLVIXXGS-TZMCWYRMSA-N 0 3 279.380 2.384 20 10 CECDHN CCOc1ccc(C[N@H+](CCO)C2CCC2)c([O-])c1 ZINC000784671147 647873923 /nfs/dbraw/zinc/87/39/23/647873923.db2.gz FMWMSKQAAIVFGS-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CCOc1ccc(C[N@@H+](CCO)C2CCC2)c([O-])c1 ZINC000784671147 647873926 /nfs/dbraw/zinc/87/39/26/647873926.db2.gz FMWMSKQAAIVFGS-UHFFFAOYSA-N 0 3 265.353 2.138 20 10 CECDHN CC(=O)c1cc(F)cc(CN2CCC[C@@H]3[NH2+]CC[C@H]32)c1[O-] ZINC000866721381 647881961 /nfs/dbraw/zinc/88/19/61/647881961.db2.gz VRLWDTSXWVHHDY-LSDHHAIUSA-N 0 3 292.354 2.060 20 10 CECDHN CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000879649034 651335297 /nfs/dbraw/zinc/33/52/97/651335297.db2.gz JURGEQLKMRCNIW-TUAOUCFPSA-N 0 3 264.369 2.346 20 10 CECDHN COC(=O)CC1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879650733 651335620 /nfs/dbraw/zinc/33/56/20/651335620.db2.gz PYSYKEOKJYFFAC-NSHDSACASA-N 0 3 263.337 2.386 20 10 CECDHN Oc1ccccc1CNCc1cccc2c1OCCO2 ZINC000134235479 652795984 /nfs/dbraw/zinc/79/59/84/652795984.db2.gz HQIYADVXPBZJLV-UHFFFAOYSA-N 0 3 271.316 2.453 20 10 CECDHN [O-]c1ccccc1C[NH2+]Cc1cccc2c1OCCO2 ZINC000134235479 652795989 /nfs/dbraw/zinc/79/59/89/652795989.db2.gz HQIYADVXPBZJLV-UHFFFAOYSA-N 0 3 271.316 2.453 20 10 CECDHN CC(C)CNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000135719055 652980116 /nfs/dbraw/zinc/98/01/16/652980116.db2.gz DPKJLZQKCCVJHP-VXGBXAGGSA-N 0 3 264.369 2.204 20 10 CECDHN