smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000274863612 1019803640 /nfs/dbraw/zinc/80/36/40/1019803640.db2.gz DGIYKMZWZLBRBB-MJGOQNOKSA-N 1 2 339.414 4.095 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1nccn1-c1ccccc1 ZINC000377867659 1022065129 /nfs/dbraw/zinc/06/51/29/1022065129.db2.gz AKZOEQFQKPKLQZ-ZDUSSCGKSA-N 1 2 327.815 4.082 20 10 EICDLO C[C@H]([NH2+]Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O ZINC000756480633 1022982156 /nfs/dbraw/zinc/98/21/56/1022982156.db2.gz STZFBHIPXXFTOE-VIFPVBQESA-N 1 2 342.183 4.284 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1csc(Br)c1 ZINC000397401715 1023436644 /nfs/dbraw/zinc/43/66/44/1023436644.db2.gz RILXOPRRGNKXJG-UHFFFAOYSA-N 1 2 332.650 4.159 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687163 1023746660 /nfs/dbraw/zinc/74/66/60/1023746660.db2.gz IXGIYKQVYSVQRY-SKDRFNHKSA-N 1 2 340.254 4.020 20 10 EICDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000151116104 1025265920 /nfs/dbraw/zinc/26/59/20/1025265920.db2.gz HLYOFHYKCSIAFM-OAQYLSRUSA-N 1 2 335.403 4.102 20 10 EICDLO COC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000279407876 1026414031 /nfs/dbraw/zinc/41/40/31/1026414031.db2.gz DNIRSJHDHQXLJC-BMIGLBTASA-N 1 2 341.785 4.362 20 10 EICDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278160504 1028341129 /nfs/dbraw/zinc/34/11/29/1028341129.db2.gz AWSHSAREKOXCGT-IUCAKERBSA-N 1 2 343.258 4.352 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1nc(C2CCCCC2)no1 ZINC000173866076 1038745500 /nfs/dbraw/zinc/74/55/00/1038745500.db2.gz SMWVIKBACMXJLE-NSHDSACASA-N 1 2 335.835 4.327 20 10 EICDLO CCN(CC)c1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1 ZINC000174661474 1040562293 /nfs/dbraw/zinc/56/22/93/1040562293.db2.gz SMIIMVOOJUVLJH-AWEZNQCLSA-N 1 2 330.476 4.064 20 10 EICDLO Cc1cc(C)cc(CC[NH2+]Cc2cccc(Br)c2O)c1 ZINC000740900600 1045241849 /nfs/dbraw/zinc/24/18/49/1045241849.db2.gz SJTLDTHRHNYCMQ-UHFFFAOYSA-N 1 2 334.257 4.104 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000790977223 1045661873 /nfs/dbraw/zinc/66/18/73/1045661873.db2.gz QJBMVDFQOSZGSQ-LBPRGKRZSA-N 1 2 328.170 4.061 20 10 EICDLO Oc1ccc(CNc2ccc3c(c2)[nH+]cn3-c2ccccc2)cc1O ZINC001169994836 1045835983 /nfs/dbraw/zinc/83/59/83/1045835983.db2.gz JUYGSESTQSMFSK-UHFFFAOYSA-N 1 2 331.375 4.049 20 10 EICDLO CC[N@@H+](CCc1cccs1)Cc1cccc(Br)c1O ZINC000768758272 1045837474 /nfs/dbraw/zinc/83/74/74/1045837474.db2.gz MDLSZJBNQDOSNB-UHFFFAOYSA-N 1 2 340.286 4.281 20 10 EICDLO CC[N@H+](CCc1cccs1)Cc1cccc(Br)c1O ZINC000768758272 1045837472 /nfs/dbraw/zinc/83/74/72/1045837472.db2.gz MDLSZJBNQDOSNB-UHFFFAOYSA-N 1 2 340.286 4.281 20 10 EICDLO CCSCC[C@H](C)[N@H+](C)Cc1cccc(Br)c1O ZINC000769548114 1046016278 /nfs/dbraw/zinc/01/62/78/1046016278.db2.gz DZVFVOCFZLKFJC-NSHDSACASA-N 1 2 332.307 4.118 20 10 EICDLO CCSCC[C@H](C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000769548114 1046016295 /nfs/dbraw/zinc/01/62/95/1046016295.db2.gz DZVFVOCFZLKFJC-NSHDSACASA-N 1 2 332.307 4.118 20 10 EICDLO CCn1c2ccccc2[nH+]c1NCc1cccc(Br)c1O ZINC000763412991 1046144559 /nfs/dbraw/zinc/14/45/59/1046144559.db2.gz VLAMRZXURRVIIY-UHFFFAOYSA-N 1 2 346.228 4.136 20 10 EICDLO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000785573706 1046723174 /nfs/dbraw/zinc/72/31/74/1046723174.db2.gz SYGCLTJLWUTQSM-NJSLBKSFSA-N 1 2 348.437 4.321 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc(OC)c(F)c1)c1cccc(Cl)c1O ZINC000806137162 1047135447 /nfs/dbraw/zinc/13/54/47/1047135447.db2.gz KTHHDVIYLBFZEQ-MRXNPFEDSA-N 1 2 337.822 4.477 20 10 EICDLO CC[C@@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(Cl)c1O ZINC000806140062 1047136593 /nfs/dbraw/zinc/13/65/93/1047136593.db2.gz GKDLQXRNTTTYDV-CZUORRHYSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cccc(Cl)c1O ZINC000806132084 1047155207 /nfs/dbraw/zinc/15/52/07/1047155207.db2.gz QWBGPYZPVRNLLV-QGZVFWFLSA-N 1 2 332.831 4.245 20 10 EICDLO C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)cc(F)c1O ZINC000806176068 1047163241 /nfs/dbraw/zinc/16/32/41/1047163241.db2.gz KCZZXTNKNVIBKT-SECBINFHSA-N 1 2 334.204 4.227 20 10 EICDLO CC[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806141265 1047168962 /nfs/dbraw/zinc/16/89/62/1047168962.db2.gz HJMYRTXLUZTPPZ-CRAIPNDOSA-N 1 2 333.859 4.344 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1O ZINC000806147221 1047172512 /nfs/dbraw/zinc/17/25/12/1047172512.db2.gz HAKNKIHRKGIHHR-MZPVMMEZSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cccc(Cl)c1O ZINC000806147647 1047172548 /nfs/dbraw/zinc/17/25/48/1047172548.db2.gz ZKDCTAYBVVWNHL-CABCVRRESA-N 1 2 341.785 4.098 20 10 EICDLO CC[C@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc(Cl)c1O ZINC000806148688 1047173480 /nfs/dbraw/zinc/17/34/80/1047173480.db2.gz WWDLFCAKOUWMCK-KBPBESRZSA-N 1 2 325.861 4.190 20 10 EICDLO CC[C@@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000806160042 1047181652 /nfs/dbraw/zinc/18/16/52/1047181652.db2.gz DWKHMXUPCAMJQU-IEBWSBKVSA-N 1 2 333.859 4.384 20 10 EICDLO CC[C@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc(Cl)c1O ZINC000806162361 1047186193 /nfs/dbraw/zinc/18/61/93/1047186193.db2.gz VLFASTDLZGEKPJ-NWDGAFQWSA-N 1 2 325.758 4.054 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)c(F)cc1O ZINC000806178376 1047201179 /nfs/dbraw/zinc/20/11/79/1047201179.db2.gz FYSIEVFLZUATAL-VHSXEESVSA-N 1 2 348.281 4.088 20 10 EICDLO CCOc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(Cl)c1O ZINC000898219508 1047569489 /nfs/dbraw/zinc/56/94/89/1047569489.db2.gz YOYKWRROGDLODK-UHFFFAOYSA-N 1 2 342.222 4.093 20 10 EICDLO Cc1ccccc1[C@@H](O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000809703256 1048488415 /nfs/dbraw/zinc/48/84/15/1048488415.db2.gz OGLSENJDVQHEKC-IBGZPJMESA-N 1 2 345.870 4.300 20 10 EICDLO Cc1cc(NCc2cc(Br)ccc2O)ccc1[NH+](C)C ZINC001171176201 1048651403 /nfs/dbraw/zinc/65/14/03/1048651403.db2.gz KOMFXAJLTPTUSC-UHFFFAOYSA-N 1 2 335.245 4.141 20 10 EICDLO CC[C@H]([NH2+]C[C@@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Cl)c1O ZINC000810247080 1048725725 /nfs/dbraw/zinc/72/57/25/1048725725.db2.gz SQJXWLWAVQCRLE-IMFGXOCKSA-N 1 2 345.870 4.253 20 10 EICDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816483045 1048813230 /nfs/dbraw/zinc/81/32/30/1048813230.db2.gz CIIRBQDZNJRUIK-UHFFFAOYSA-N 1 2 347.817 4.280 20 10 EICDLO Cc1nc2ccccc2n1CCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816529605 1048823951 /nfs/dbraw/zinc/82/39/51/1048823951.db2.gz YZQKLXKQAHLDCR-UHFFFAOYSA-N 1 2 347.821 4.023 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cccc2cccnc21 ZINC000816533767 1048825751 /nfs/dbraw/zinc/82/57/51/1048825751.db2.gz JCHZTIKCYLFMKH-UHFFFAOYSA-N 1 2 330.790 4.065 20 10 EICDLO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@@H](C)O)c1cccc(Cl)c1O ZINC000846184181 1048836943 /nfs/dbraw/zinc/83/69/43/1048836943.db2.gz RHFPXYREDVUAAK-ZTFRIQLXSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@H]([NH2+][C@@H](c1ccccc1F)[C@H](C)O)c1cccc(Cl)c1O ZINC000846184175 1048837183 /nfs/dbraw/zinc/83/71/83/1048837183.db2.gz RHFPXYREDVUAAK-MZPVMMEZSA-N 1 2 337.822 4.348 20 10 EICDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816565974 1048837670 /nfs/dbraw/zinc/83/76/70/1048837670.db2.gz HVMKAUVKHWIJJD-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816565974 1048837678 /nfs/dbraw/zinc/83/76/78/1048837678.db2.gz HVMKAUVKHWIJJD-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)cc(F)c1O ZINC000817975327 1049075311 /nfs/dbraw/zinc/07/53/11/1049075311.db2.gz KYCLRNIUICUAIX-QLJPJBMISA-N 1 2 348.393 4.206 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512667 1049124503 /nfs/dbraw/zinc/12/45/03/1049124503.db2.gz JDDMZKQGHASYLJ-LJQANCHMSA-N 1 2 329.827 4.015 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000811512667 1049124523 /nfs/dbraw/zinc/12/45/23/1049124523.db2.gz JDDMZKQGHASYLJ-LJQANCHMSA-N 1 2 329.827 4.015 20 10 EICDLO Oc1ccc(Cl)cc1C[NH+](Cc1cccnc1)Cc1cccnc1 ZINC001203658315 1050518568 /nfs/dbraw/zinc/51/85/68/1050518568.db2.gz RQUYGVVAXWQRAG-UHFFFAOYSA-N 1 2 339.826 4.038 20 10 EICDLO Oc1ccc(C[N@H+](Cc2ccco2)Cc2cc(F)cc(F)c2O)cc1 ZINC001180208964 1050916665 /nfs/dbraw/zinc/91/66/65/1050916665.db2.gz ULEJZUWHUXXCMU-UHFFFAOYSA-N 1 2 345.345 4.171 20 10 EICDLO Oc1ccc(C[N@@H+](Cc2ccco2)Cc2cc(F)cc(F)c2O)cc1 ZINC001180208964 1050916678 /nfs/dbraw/zinc/91/66/78/1050916678.db2.gz ULEJZUWHUXXCMU-UHFFFAOYSA-N 1 2 345.345 4.171 20 10 EICDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCCc2ccccc2C1 ZINC001181464125 1051232480 /nfs/dbraw/zinc/23/24/80/1051232480.db2.gz JEPRIGNKOINXFB-INIZCTEOSA-N 1 2 346.268 4.192 20 10 EICDLO C[C@@]1(c2cccc(F)c2)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001182755029 1051685369 /nfs/dbraw/zinc/68/53/69/1051685369.db2.gz PKMPNNALXAXDRE-GOSISDBHSA-N 1 2 337.797 4.487 20 10 EICDLO C[C@@]1(c2cccc(F)c2)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001182755029 1051685375 /nfs/dbraw/zinc/68/53/75/1051685375.db2.gz PKMPNNALXAXDRE-GOSISDBHSA-N 1 2 337.797 4.487 20 10 EICDLO CC[C@@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cc(Cl)ccc1O ZINC000775542798 1051793945 /nfs/dbraw/zinc/79/39/45/1051793945.db2.gz SWQVTMWUKDSULE-OAHLLOKOSA-N 1 2 342.830 4.072 20 10 EICDLO CC[C@@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1O ZINC000775542798 1051793964 /nfs/dbraw/zinc/79/39/64/1051793964.db2.gz SWQVTMWUKDSULE-OAHLLOKOSA-N 1 2 342.830 4.072 20 10 EICDLO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667125 1052672579 /nfs/dbraw/zinc/67/25/79/1052672579.db2.gz OWINQGIEUDZGQR-GJZGRUSLSA-N 1 2 337.423 4.086 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000775668498 1053459649 /nfs/dbraw/zinc/45/96/49/1053459649.db2.gz BZKADJYSVURELG-UHFFFAOYSA-N 1 2 327.827 4.108 20 10 EICDLO COc1ccc([C@@H]2CC[N@H+](Cc3cc(Cl)cc(F)c3O)C2)cc1 ZINC000775669487 1053479764 /nfs/dbraw/zinc/47/97/64/1053479764.db2.gz KOODMDAMBCRWBQ-CYBMUJFWSA-N 1 2 335.806 4.183 20 10 EICDLO COc1ccc([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C2)cc1 ZINC000775669487 1053479767 /nfs/dbraw/zinc/47/97/67/1053479767.db2.gz KOODMDAMBCRWBQ-CYBMUJFWSA-N 1 2 335.806 4.183 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000775674465 1053502183 /nfs/dbraw/zinc/50/21/83/1053502183.db2.gz CXVLZTVZXDHXRW-INIZCTEOSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1cccc2c1OCCO2 ZINC000775674465 1053502194 /nfs/dbraw/zinc/50/21/94/1053502194.db2.gz CXVLZTVZXDHXRW-INIZCTEOSA-N 1 2 345.826 4.154 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@](F)(c3ccccc3)C2)c1O ZINC001197078182 1053833848 /nfs/dbraw/zinc/83/38/48/1053833848.db2.gz SFWGIXIUERSJSX-HXUWFJFHSA-N 1 2 345.389 4.195 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@](F)(c3ccccc3)C2)c1O ZINC001197078182 1053833852 /nfs/dbraw/zinc/83/38/52/1053833852.db2.gz SFWGIXIUERSJSX-HXUWFJFHSA-N 1 2 345.389 4.195 20 10 EICDLO Cc1ccc(OCCCC[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001199354560 1054391076 /nfs/dbraw/zinc/39/10/76/1054391076.db2.gz VPTSAVPLTUABBT-UHFFFAOYSA-N 1 2 337.822 4.442 20 10 EICDLO CCCOc1ccc(C[NH2+]Cc2csc([C@H](C)OC)n2)cc1C ZINC000873073646 1054481662 /nfs/dbraw/zinc/48/16/62/1054481662.db2.gz AQDNLUCYEFWVCK-AWEZNQCLSA-N 1 2 334.485 4.238 20 10 EICDLO CCCOc1ccc(C[NH2+]Cc2csc([C@@H](C)OC)n2)cc1C ZINC000873073647 1054482722 /nfs/dbraw/zinc/48/27/22/1054482722.db2.gz AQDNLUCYEFWVCK-CQSZACIVSA-N 1 2 334.485 4.238 20 10 EICDLO CC[C@@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc(Cl)c1O ZINC000858453843 1054492528 /nfs/dbraw/zinc/49/25/28/1054492528.db2.gz ZUBIYLRWZXCNPG-GFCCVEGCSA-N 1 2 347.768 4.039 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001201498307 1054820291 /nfs/dbraw/zinc/82/02/91/1054820291.db2.gz XQWPWWBIMUXCFC-UHFFFAOYSA-N 1 2 325.456 4.212 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(F)cc2N2CCOCC2)cc1 ZINC001201500327 1054821700 /nfs/dbraw/zinc/82/17/00/1054821700.db2.gz ZQMXUGGXTUIASQ-UHFFFAOYSA-N 1 2 329.419 4.226 20 10 EICDLO COc1cc2c(cc1Nc1ccc([NH2+]C(C)C)cc1)N(C(C)=O)CC2 ZINC001201500329 1054822431 /nfs/dbraw/zinc/82/24/31/1054822431.db2.gz ZUPLDKZQOJUGEX-UHFFFAOYSA-N 1 2 339.439 4.168 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000776222703 1054938849 /nfs/dbraw/zinc/93/88/49/1054938849.db2.gz RLEZRRFXPQNXHT-INIZCTEOSA-N 1 2 337.847 4.305 20 10 EICDLO CCc1noc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000119281158 1055152650 /nfs/dbraw/zinc/15/26/50/1055152650.db2.gz BOLVEKKVXHBLMK-OAHLLOKOSA-N 1 2 337.423 4.101 20 10 EICDLO CCc1noc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)n1 ZINC000119281158 1055152656 /nfs/dbraw/zinc/15/26/56/1055152656.db2.gz BOLVEKKVXHBLMK-OAHLLOKOSA-N 1 2 337.423 4.101 20 10 EICDLO CC(C)n1cc2c(n1)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CCC2 ZINC000765814218 1055481858 /nfs/dbraw/zinc/48/18/58/1055481858.db2.gz COTYSSQKZCBCDI-MEDUHNTESA-N 1 2 335.398 4.176 20 10 EICDLO OCC1CCN(c2ccc(CNc3ccc4ccccc4[nH+]3)cc2)CC1 ZINC000298689387 527530755 /nfs/dbraw/zinc/53/07/55/527530755.db2.gz BSSHZQCWZMVPCC-UHFFFAOYSA-N 1 2 347.462 4.056 20 10 EICDLO CCOc1ccc(F)c(F)c1C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC001143496882 1023645925 /nfs/dbraw/zinc/64/59/25/1023645925.db2.gz CHSGIAQPPWSNGZ-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO CCOc1ccc(F)c(F)c1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001143496882 1023645930 /nfs/dbraw/zinc/64/59/30/1023645930.db2.gz CHSGIAQPPWSNGZ-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074827 1026840648 /nfs/dbraw/zinc/84/06/48/1026840648.db2.gz HHPYUINAAGQLAX-CABZTGNLSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074827 1026840650 /nfs/dbraw/zinc/84/06/50/1026840650.db2.gz HHPYUINAAGQLAX-CABZTGNLSA-N 1 2 332.669 4.429 20 10 EICDLO CO[C@@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000761216172 1036155505 /nfs/dbraw/zinc/15/55/05/1036155505.db2.gz MQZCHLFUSAREHF-DYZYQPBXSA-N 1 2 341.785 4.190 20 10 EICDLO Cc1cc(C[NH2+][C@@H](c2nccs2)c2ccccc2)ccc1N(C)C ZINC000271768148 1037011801 /nfs/dbraw/zinc/01/18/01/1037011801.db2.gz DQSRYCDWUWWMQM-LJQANCHMSA-N 1 2 337.492 4.397 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cc(Br)cc(F)c2O)CC(C)(C)C1 ZINC001204961767 1040272094 /nfs/dbraw/zinc/27/20/94/1040272094.db2.gz UOEJWVGNDLNOFW-JTQLQIEISA-N 1 2 330.241 4.162 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CC(C)(C)C1 ZINC001204961767 1040272111 /nfs/dbraw/zinc/27/21/11/1040272111.db2.gz UOEJWVGNDLNOFW-JTQLQIEISA-N 1 2 330.241 4.162 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000715726647 1043167893 /nfs/dbraw/zinc/16/78/93/1043167893.db2.gz VBJHASGDEDIDPI-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000715726647 1043167889 /nfs/dbraw/zinc/16/78/89/1043167889.db2.gz VBJHASGDEDIDPI-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)n1-c1cccc(C)c1 ZINC000733881688 1044327723 /nfs/dbraw/zinc/32/77/23/1044327723.db2.gz VGIIACXVFFWHPD-UHFFFAOYSA-N 1 2 344.418 4.303 20 10 EICDLO CC1(C)CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791036 1044576998 /nfs/dbraw/zinc/57/69/98/1044576998.db2.gz XPHUUUGDJDNXHT-GFCCVEGCSA-N 1 2 330.241 4.352 20 10 EICDLO Oc1c(Br)cc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001235304203 1045371463 /nfs/dbraw/zinc/37/14/63/1045371463.db2.gz UWUZCTGPDDNJRP-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001235304203 1045371469 /nfs/dbraw/zinc/37/14/69/1045371469.db2.gz UWUZCTGPDDNJRP-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1cc(F)cc(F)c1O ZINC000790714670 1045564889 /nfs/dbraw/zinc/56/48/89/1045564889.db2.gz HMHIPAISAAOQJH-OCCSQVGLSA-N 1 2 325.399 4.203 20 10 EICDLO Cc1csc(C2([NH2+]Cc3c(O)ccc(Cl)c3F)CCC2)n1 ZINC000790954897 1045635399 /nfs/dbraw/zinc/63/53/99/1045635399.db2.gz AJAHAQBKNUUJHK-UHFFFAOYSA-N 1 2 326.824 4.119 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000768530539 1045817244 /nfs/dbraw/zinc/81/72/44/1045817244.db2.gz JUIVAOSTMHWENO-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000768530539 1045817241 /nfs/dbraw/zinc/81/72/41/1045817241.db2.gz JUIVAOSTMHWENO-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO Cc1nc([C@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)no1 ZINC000768962044 1045870869 /nfs/dbraw/zinc/87/08/69/1045870869.db2.gz BXXLWFWNTRXQPB-LJQANCHMSA-N 1 2 349.434 4.478 20 10 EICDLO Cc1nc([C@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)no1 ZINC000768962044 1045870880 /nfs/dbraw/zinc/87/08/80/1045870880.db2.gz BXXLWFWNTRXQPB-LJQANCHMSA-N 1 2 349.434 4.478 20 10 EICDLO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769548585 1046016030 /nfs/dbraw/zinc/01/60/30/1046016030.db2.gz IKSKZAGGJIBRKM-QWHCGFSZSA-N 1 2 344.318 4.261 20 10 EICDLO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769548585 1046016044 /nfs/dbraw/zinc/01/60/44/1046016044.db2.gz IKSKZAGGJIBRKM-QWHCGFSZSA-N 1 2 344.318 4.261 20 10 EICDLO CCN(CC)c1ccc(C[NH2+]Cc2ncc(Cl)s2)cc1F ZINC000769911932 1046096545 /nfs/dbraw/zinc/09/65/45/1046096545.db2.gz OHBXBQFUDJEMDP-UHFFFAOYSA-N 1 2 327.856 4.072 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793620238 1046314312 /nfs/dbraw/zinc/31/43/12/1046314312.db2.gz NZBMXLMWLJVDKC-UHFFFAOYSA-N 1 2 325.733 4.349 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1[nH]nc2ccccc21 ZINC000771924848 1046518423 /nfs/dbraw/zinc/51/84/23/1046518423.db2.gz QTTPKGZAGZKQIU-UHFFFAOYSA-N 1 2 333.391 4.064 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1n[nH]c2ccccc21 ZINC000771924848 1046518438 /nfs/dbraw/zinc/51/84/38/1046518438.db2.gz QTTPKGZAGZKQIU-UHFFFAOYSA-N 1 2 333.391 4.064 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1[nH]nc2ccccc21 ZINC000771924848 1046518410 /nfs/dbraw/zinc/51/84/10/1046518410.db2.gz QTTPKGZAGZKQIU-UHFFFAOYSA-N 1 2 333.391 4.064 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1n[nH]c2ccccc21 ZINC000771924848 1046518451 /nfs/dbraw/zinc/51/84/51/1046518451.db2.gz QTTPKGZAGZKQIU-UHFFFAOYSA-N 1 2 333.391 4.064 20 10 EICDLO C[N@H+](Cc1coc(C2CC2)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934885 1046528789 /nfs/dbraw/zinc/52/87/89/1046528789.db2.gz FUIVHBPRTKTRDZ-UHFFFAOYSA-N 1 2 325.456 4.174 20 10 EICDLO C[N@@H+](Cc1coc(C2CC2)n1)Cc1ccc(N2CCCCC2)cc1 ZINC000771934885 1046528809 /nfs/dbraw/zinc/52/88/09/1046528809.db2.gz FUIVHBPRTKTRDZ-UHFFFAOYSA-N 1 2 325.456 4.174 20 10 EICDLO Cc1ccccc1[C@H]([C@H](C)[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000785989620 1046797792 /nfs/dbraw/zinc/79/77/92/1046797792.db2.gz VWDMOESDZSFRDO-KSSFIOAISA-N 1 2 332.875 4.135 20 10 EICDLO CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806137248 1047135207 /nfs/dbraw/zinc/13/52/07/1047135207.db2.gz ICSRTSVFMGFRGC-AWEZNQCLSA-N 1 2 342.867 4.001 20 10 EICDLO CC[C@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc(Cl)c1O ZINC000806136141 1047135308 /nfs/dbraw/zinc/13/53/08/1047135308.db2.gz SNSNKITZDZGCCA-KRWDZBQOSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1cccc(Cl)c1O ZINC000806128081 1047146729 /nfs/dbraw/zinc/14/67/29/1047146729.db2.gz NTGBJNLRQJPISV-OAHLLOKOSA-N 1 2 333.815 4.058 20 10 EICDLO CC[C@H]([NH2+]CCOc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806128019 1047148031 /nfs/dbraw/zinc/14/80/31/1047148031.db2.gz MGKCSYVNDDTRQV-KRWDZBQOSA-N 1 2 335.831 4.174 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc(Cl)c1O ZINC000806129589 1047153113 /nfs/dbraw/zinc/15/31/13/1047153113.db2.gz GXDOMFGCSZXMOR-HZPDHXFCSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccc(Cl)c1O ZINC000806140135 1047164543 /nfs/dbraw/zinc/16/45/43/1047164543.db2.gz URWMAOLQRIVLDY-AZUAARDMSA-N 1 2 345.870 4.310 20 10 EICDLO CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(Cl)c1O ZINC000806159949 1047183393 /nfs/dbraw/zinc/18/33/93/1047183393.db2.gz OFSFHABROUQMSB-MRXNPFEDSA-N 1 2 343.858 4.216 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1O ZINC000806161683 1047185115 /nfs/dbraw/zinc/18/51/15/1047185115.db2.gz MANNKTXBHKYQKU-GDBMZVCRSA-N 1 2 335.879 4.260 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1O ZINC000806164675 1047188658 /nfs/dbraw/zinc/18/86/58/1047188658.db2.gz ANNWSHRXPYSAHP-ROUUACIJSA-N 1 2 333.859 4.437 20 10 EICDLO CCOC[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(C)C ZINC000788986333 1047342262 /nfs/dbraw/zinc/34/22/62/1047342262.db2.gz XWVCZZMYGAZZBD-HZMBPMFUSA-N 1 2 348.256 4.006 20 10 EICDLO Oc1ccc(Cl)c(F)c1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000790240513 1047540377 /nfs/dbraw/zinc/54/03/77/1047540377.db2.gz GZKOWLRULXENJT-UHFFFAOYSA-N 1 2 335.810 4.182 20 10 EICDLO CC[C@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1O ZINC000806144298 1047969557 /nfs/dbraw/zinc/96/95/57/1047969557.db2.gz USPMARYYIGNHNF-IRXDYDNUSA-N 1 2 325.880 4.418 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809768603 1048502264 /nfs/dbraw/zinc/50/22/64/1048502264.db2.gz QCBQMUFEJOFJNV-OAHLLOKOSA-N 1 2 341.842 4.060 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000809768603 1048502280 /nfs/dbraw/zinc/50/22/80/1048502280.db2.gz QCBQMUFEJOFJNV-OAHLLOKOSA-N 1 2 341.842 4.060 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)c1c(F)cncc1F ZINC000815625997 1048550382 /nfs/dbraw/zinc/55/03/82/1048550382.db2.gz RUTRUOUNARVPKR-DTWKUNHWSA-N 1 2 346.299 4.496 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1O ZINC000815625999 1048550584 /nfs/dbraw/zinc/55/05/84/1048550584.db2.gz RUTRUOUNARVPKR-RKDXNWHRSA-N 1 2 346.299 4.496 20 10 EICDLO CCc1nnc(C[NH2+]Cc2cc(C)n(-c3cccc(C)c3)c2C)s1 ZINC000810175878 1048668599 /nfs/dbraw/zinc/66/85/99/1048668599.db2.gz FIYOEWIBNAEBKC-UHFFFAOYSA-N 1 2 340.496 4.106 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846015369 1048785051 /nfs/dbraw/zinc/78/50/51/1048785051.db2.gz MBDHKIQNPBDZIM-UHFFFAOYSA-N 1 2 341.707 4.051 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000816603160 1048842020 /nfs/dbraw/zinc/84/20/20/1048842020.db2.gz AUILFPCCDXIAPX-UHFFFAOYSA-N 1 2 325.733 4.349 20 10 EICDLO Oc1c(C[N@@H+]2Cc3cnn(-c4ccccc4)c3C2)ccc2ccccc21 ZINC000816668796 1048854055 /nfs/dbraw/zinc/85/40/55/1048854055.db2.gz YDUGTIUYFGQDMT-UHFFFAOYSA-N 1 2 341.414 4.247 20 10 EICDLO Oc1c(C[N@H+]2Cc3cnn(-c4ccccc4)c3C2)ccc2ccccc21 ZINC000816668796 1048854056 /nfs/dbraw/zinc/85/40/56/1048854056.db2.gz YDUGTIUYFGQDMT-UHFFFAOYSA-N 1 2 341.414 4.247 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCc3ccc(C)cc3C2)c1O ZINC001171815370 1049809220 /nfs/dbraw/zinc/80/92/20/1049809220.db2.gz NAJXVVWAMAIMJI-UHFFFAOYSA-N 1 2 329.827 4.115 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCc3ccc(C)cc3C2)c1O ZINC001171815370 1049809222 /nfs/dbraw/zinc/80/92/22/1049809222.db2.gz NAJXVVWAMAIMJI-UHFFFAOYSA-N 1 2 329.827 4.115 20 10 EICDLO COc1ccc(CC[C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001177553925 1050238636 /nfs/dbraw/zinc/23/86/36/1050238636.db2.gz FYBRNBXJRJSTAF-GFCCVEGCSA-N 1 2 337.822 4.304 20 10 EICDLO C[C@@H]1SCC[N@H+](Cc2ccc(F)c(F)c2O)[C@H]1c1ccccc1 ZINC001179938944 1050824190 /nfs/dbraw/zinc/82/41/90/1050824190.db2.gz ZVGHYZKCEIHGTG-YVEFUNNKSA-N 1 2 335.419 4.349 20 10 EICDLO C[C@@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2O)[C@H]1c1ccccc1 ZINC001179938944 1050824193 /nfs/dbraw/zinc/82/41/93/1050824193.db2.gz ZVGHYZKCEIHGTG-YVEFUNNKSA-N 1 2 335.419 4.349 20 10 EICDLO C[C@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001180249724 1050933843 /nfs/dbraw/zinc/93/38/43/1050933843.db2.gz YFXDNZVYSRBHNA-SNVBAGLBSA-N 1 2 334.391 4.473 20 10 EICDLO C[C@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001180249724 1050933855 /nfs/dbraw/zinc/93/38/55/1050933855.db2.gz YFXDNZVYSRBHNA-SNVBAGLBSA-N 1 2 334.391 4.473 20 10 EICDLO CCOc1ccc(N(Cc2cc(OC)cc(C)[nH+]2)CC2CC2)cc1 ZINC001175371995 1051558802 /nfs/dbraw/zinc/55/88/02/1051558802.db2.gz QDVQATCHPFVHEI-UHFFFAOYSA-N 1 2 326.440 4.214 20 10 EICDLO CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490360 1051576101 /nfs/dbraw/zinc/57/61/01/1051576101.db2.gz CJBKXKGMHVLXQV-CQSZACIVSA-N 1 2 342.270 4.417 20 10 EICDLO CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491577 1051590321 /nfs/dbraw/zinc/59/03/21/1051590321.db2.gz FEYPPBXHCHVABG-GXFFZTMASA-N 1 2 328.243 4.025 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC001182977551 1051764464 /nfs/dbraw/zinc/76/44/64/1051764464.db2.gz GMLOILZWENBECJ-INIZCTEOSA-N 1 2 339.826 4.008 20 10 EICDLO CCn1c2ccc(F)cc2[nH+]c1NCc1cc(Cl)c(F)cc1O ZINC001184462571 1052017288 /nfs/dbraw/zinc/01/72/88/1052017288.db2.gz LTGRGXBHFFNLEI-UHFFFAOYSA-N 1 2 337.757 4.306 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245502 1052549913 /nfs/dbraw/zinc/54/99/13/1052549913.db2.gz WVWHRIYITGSNNP-LSDHHAIUSA-N 1 2 348.487 4.156 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245502 1052549921 /nfs/dbraw/zinc/54/99/21/1052549921.db2.gz WVWHRIYITGSNNP-LSDHHAIUSA-N 1 2 348.487 4.156 20 10 EICDLO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667106 1052672867 /nfs/dbraw/zinc/67/28/67/1052672867.db2.gz OWINQGIEUDZGQR-CABCVRRESA-N 1 2 337.423 4.086 20 10 EICDLO O=C(c1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775645751 1053320921 /nfs/dbraw/zinc/32/09/21/1053320921.db2.gz PYODJYZASKYKJH-UHFFFAOYSA-N 1 2 347.817 4.280 20 10 EICDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCCc2ccccc21 ZINC000775697193 1053611686 /nfs/dbraw/zinc/61/16/86/1053611686.db2.gz WPGZUXBHKJHFTH-SFHVURJKSA-N 1 2 349.833 4.057 20 10 EICDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCCc2ccccc21 ZINC000775697193 1053611698 /nfs/dbraw/zinc/61/16/98/1053611698.db2.gz WPGZUXBHKJHFTH-SFHVURJKSA-N 1 2 349.833 4.057 20 10 EICDLO COCC(C)(C)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000872104706 1054390180 /nfs/dbraw/zinc/39/01/80/1054390180.db2.gz NKOFBEWQKGDSBF-JTQLQIEISA-N 1 2 348.256 4.007 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(Br)ccc1F ZINC000124682277 1054594227 /nfs/dbraw/zinc/59/42/27/1054594227.db2.gz CLRNYHRHUMHQPX-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO CCOC(=O)c1ccc(NC)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201497445 1054819973 /nfs/dbraw/zinc/81/99/73/1054819973.db2.gz GZZOTPMMMKPXRT-UHFFFAOYSA-N 1 2 327.428 4.469 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C/C=C/c1ccccc1 ZINC001201695611 1054879931 /nfs/dbraw/zinc/87/99/31/1054879931.db2.gz ZXPFEHBTQDOFFT-QPJJXVBHSA-N 1 2 336.204 4.097 20 10 EICDLO Oc1c(C[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)ccc(F)c1F ZINC000877589259 1055086122 /nfs/dbraw/zinc/08/61/22/1055086122.db2.gz KQDNQYGZKJWWEA-IBGZPJMESA-N 1 2 345.389 4.024 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC(c2nc(C3CCC3)no2)CC1 ZINC000877735812 1055111478 /nfs/dbraw/zinc/11/14/78/1055111478.db2.gz ICJHLWTWQOUWEM-UHFFFAOYSA-N 1 2 347.846 4.076 20 10 EICDLO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)CCC2 ZINC000765814219 1055481296 /nfs/dbraw/zinc/48/12/96/1055481296.db2.gz COTYSSQKZCBCDI-ZBEGNZNMSA-N 1 2 335.398 4.176 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000180169407 1032594829 /nfs/dbraw/zinc/59/48/29/1032594829.db2.gz ZVJKTGOPAXBLGK-SFHVURJKSA-N 1 2 349.833 4.130 20 10 EICDLO C[C@@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1O ZINC000185235014 1030135380 /nfs/dbraw/zinc/13/53/80/1030135380.db2.gz HGVOSEMQPNKVAX-SJKOYZFVSA-N 1 2 328.412 4.428 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](c1ccccc1)c1ccncc1 ZINC000190879034 1030578307 /nfs/dbraw/zinc/57/83/07/1030578307.db2.gz SKZJIFKLOPHGBM-LJQANCHMSA-N 1 2 342.801 4.459 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cs1 ZINC000173370851 1038295086 /nfs/dbraw/zinc/29/50/86/1038295086.db2.gz OZGHSWBVCOLJIE-AWEZNQCLSA-N 1 2 334.485 4.195 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)cs1 ZINC000173370851 1038295108 /nfs/dbraw/zinc/29/51/08/1038295108.db2.gz OZGHSWBVCOLJIE-AWEZNQCLSA-N 1 2 334.485 4.195 20 10 EICDLO Cc1nc(C(C)(C)[NH2+]Cc2cc3oc4ccccc4c3cc2O)no1 ZINC000729852047 1039943845 /nfs/dbraw/zinc/94/38/45/1039943845.db2.gz YBZQORBNNMRSFZ-UHFFFAOYSA-N 1 2 337.379 4.008 20 10 EICDLO COc1ccc(C2CC2)cc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000895539332 1044804138 /nfs/dbraw/zinc/80/41/38/1044804138.db2.gz SPDIGVGAZYYUPL-UHFFFAOYSA-N 1 2 335.806 4.361 20 10 EICDLO C[C@@H](Cc1cccs1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715816607 1044852919 /nfs/dbraw/zinc/85/29/19/1044852919.db2.gz CLBFQLZUWKQGQO-VIFPVBQESA-N 1 2 344.249 4.076 20 10 EICDLO C[C@H](Cc1cccs1)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715816606 1044853310 /nfs/dbraw/zinc/85/33/10/1044853310.db2.gz CLBFQLZUWKQGQO-SECBINFHSA-N 1 2 344.249 4.076 20 10 EICDLO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCc1ccc2cn[nH]c2c1 ZINC000790617706 1045549846 /nfs/dbraw/zinc/54/98/46/1045549846.db2.gz BXKMOHGJHNMBML-UHFFFAOYSA-N 1 2 343.430 4.268 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1cc(F)cc(F)c1O ZINC000790714667 1045564707 /nfs/dbraw/zinc/56/47/07/1045564707.db2.gz HMHIPAISAAOQJH-GXTWGEPZSA-N 1 2 325.399 4.203 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCC2(CCCCC2)O1)c1cc(F)cc(F)c1O ZINC000790714668 1045566452 /nfs/dbraw/zinc/56/64/52/1045566452.db2.gz HMHIPAISAAOQJH-JSGCOSHPSA-N 1 2 325.399 4.203 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000791582725 1045765898 /nfs/dbraw/zinc/76/58/98/1045765898.db2.gz CGKCMKHKBQYFEG-ISVAXAHUSA-N 1 2 335.753 4.021 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1O ZINC000791582725 1045765907 /nfs/dbraw/zinc/76/59/07/1045765907.db2.gz CGKCMKHKBQYFEG-ISVAXAHUSA-N 1 2 335.753 4.021 20 10 EICDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)o1 ZINC000768540473 1045818357 /nfs/dbraw/zinc/81/83/57/1045818357.db2.gz HYBZHXFPMNSQLL-HNNXBMFYSA-N 1 2 339.794 4.261 20 10 EICDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)o1 ZINC000768540473 1045818355 /nfs/dbraw/zinc/81/83/55/1045818355.db2.gz HYBZHXFPMNSQLL-HNNXBMFYSA-N 1 2 339.794 4.261 20 10 EICDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174663 1045871782 /nfs/dbraw/zinc/87/17/82/1045871782.db2.gz YFFUGKYQDMVCGD-IUCAKERBSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174663 1045871786 /nfs/dbraw/zinc/87/17/86/1045871786.db2.gz YFFUGKYQDMVCGD-IUCAKERBSA-N 1 2 325.733 4.348 20 10 EICDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000769498536 1045998766 /nfs/dbraw/zinc/99/87/66/1045998766.db2.gz KLDKHODPVUQVPI-ZDUSSCGKSA-N 1 2 343.298 4.007 20 10 EICDLO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000769498536 1045998781 /nfs/dbraw/zinc/99/87/81/1045998781.db2.gz KLDKHODPVUQVPI-ZDUSSCGKSA-N 1 2 343.298 4.007 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC(F)(F)F)CC2)c1O ZINC000792934184 1046112392 /nfs/dbraw/zinc/11/23/92/1046112392.db2.gz UFXACGXYKYJKPT-UHFFFAOYSA-N 1 2 349.780 4.413 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2Cc3cccc(Br)c3C2)c1 ZINC000770664595 1046245856 /nfs/dbraw/zinc/24/58/56/1046245856.db2.gz SZOREEZICMIWIY-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2Cc3cccc(Br)c3C2)c1 ZINC000770664595 1046245873 /nfs/dbraw/zinc/24/58/73/1046245873.db2.gz SZOREEZICMIWIY-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCCOc1ncccc1C[NH2+][C@@H](CC)c1cccc(Cl)c1O ZINC000806134579 1047127793 /nfs/dbraw/zinc/12/77/93/1047127793.db2.gz ZVHQLYJEYPMZQA-INIZCTEOSA-N 1 2 334.847 4.470 20 10 EICDLO CC[C@H]([NH2+]C[C@@](C)(O)c1cccs1)c1cccc(Cl)c1O ZINC000806140063 1047135111 /nfs/dbraw/zinc/13/51/11/1047135111.db2.gz GKDLQXRNTTTYDV-XJKSGUPXSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc(Cl)c1O ZINC000806137632 1047135877 /nfs/dbraw/zinc/13/58/77/1047135877.db2.gz QDPMAQYIUKBEPL-INIZCTEOSA-N 1 2 334.847 4.307 20 10 EICDLO CC[C@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc(Cl)c1O ZINC000806127678 1047147873 /nfs/dbraw/zinc/14/78/73/1047147873.db2.gz IUGJBBGZLCKYQK-INIZCTEOSA-N 1 2 343.858 4.445 20 10 EICDLO C[C@H]([NH2+]CCC1(F)CCC1)c1cc(Br)cc(F)c1O ZINC000806176069 1047162296 /nfs/dbraw/zinc/16/22/96/1047162296.db2.gz KCZZXTNKNVIBKT-VIFPVBQESA-N 1 2 334.204 4.227 20 10 EICDLO CC[C@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc(Cl)c1O ZINC000806140822 1047165201 /nfs/dbraw/zinc/16/52/01/1047165201.db2.gz CATRRBUMBZYAQG-KRWDZBQOSA-N 1 2 343.858 4.285 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(Cl)c1O ZINC000806165733 1047187949 /nfs/dbraw/zinc/18/79/49/1047187949.db2.gz OJWPCYKIAKFRIF-MRXNPFEDSA-N 1 2 329.831 4.205 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000788618797 1047250156 /nfs/dbraw/zinc/25/01/56/1047250156.db2.gz BKLLHAIRQBXXQP-LSDHHAIUSA-N 1 2 346.421 4.238 20 10 EICDLO COc1cc(Cl)c(C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000898215954 1047569634 /nfs/dbraw/zinc/56/96/34/1047569634.db2.gz SBYSPDDTJVOYRA-UHFFFAOYSA-N 1 2 342.222 4.006 20 10 EICDLO CCOc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1OCC ZINC000898220087 1047571404 /nfs/dbraw/zinc/57/14/04/1047571404.db2.gz UEKMUYVKENVSMB-UHFFFAOYSA-N 1 2 335.831 4.133 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cnn(CC2CCC2)c1 ZINC000898178642 1047574913 /nfs/dbraw/zinc/57/49/13/1047574913.db2.gz DEWUDAUKWINKDO-NSHDSACASA-N 1 2 337.826 4.032 20 10 EICDLO C[N@H+](Cc1cscn1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809552690 1048413360 /nfs/dbraw/zinc/41/33/60/1048413360.db2.gz RBYFWAOFQQHYFL-UHFFFAOYSA-N 1 2 349.503 4.338 20 10 EICDLO C[N@@H+](Cc1cscn1)Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809552690 1048413365 /nfs/dbraw/zinc/41/33/65/1048413365.db2.gz RBYFWAOFQQHYFL-UHFFFAOYSA-N 1 2 349.503 4.338 20 10 EICDLO Cc1noc(C)c1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731203 1048481462 /nfs/dbraw/zinc/48/14/62/1048481462.db2.gz DHTFURJSGFEGQO-UHFFFAOYSA-N 1 2 339.439 4.153 20 10 EICDLO Cc1noc(C)c1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000809731203 1048481470 /nfs/dbraw/zinc/48/14/70/1048481470.db2.gz DHTFURJSGFEGQO-UHFFFAOYSA-N 1 2 339.439 4.153 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1nccn1-c1ccccc1 ZINC000809769645 1048502716 /nfs/dbraw/zinc/50/27/16/1048502716.db2.gz QDBDZDPEJYDMSZ-GFCCVEGCSA-N 1 2 345.805 4.221 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ncc(CSC)s2)cc1 ZINC000816482566 1048813001 /nfs/dbraw/zinc/81/30/01/1048813001.db2.gz KRDXEFNYQPLUEM-UHFFFAOYSA-N 1 2 349.569 4.484 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ncc(CSC)s2)cc1 ZINC000816482566 1048813007 /nfs/dbraw/zinc/81/30/07/1048813007.db2.gz KRDXEFNYQPLUEM-UHFFFAOYSA-N 1 2 349.569 4.484 20 10 EICDLO C[N@H+](Cc1nc2c(s1)CCCC2)Cc1cc(Cl)c(F)cc1O ZINC000816509572 1048823493 /nfs/dbraw/zinc/82/34/93/1048823493.db2.gz VTBZSLIBEOEXMU-UHFFFAOYSA-N 1 2 340.851 4.152 20 10 EICDLO C[N@@H+](Cc1nc2c(s1)CCCC2)Cc1cc(Cl)c(F)cc1O ZINC000816509572 1048823496 /nfs/dbraw/zinc/82/34/96/1048823496.db2.gz VTBZSLIBEOEXMU-UHFFFAOYSA-N 1 2 340.851 4.152 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(-n2cccn2)c(F)c1 ZINC000816645051 1048847484 /nfs/dbraw/zinc/84/74/84/1048847484.db2.gz FKJVHUSQLYTQHZ-LBPRGKRZSA-N 1 2 345.805 4.221 20 10 EICDLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(Br)cc1O ZINC000817950620 1049064740 /nfs/dbraw/zinc/06/47/40/1049064740.db2.gz VNKPDERVZUPXLG-JTQLQIEISA-N 1 2 333.229 4.296 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955162 1049065636 /nfs/dbraw/zinc/06/56/36/1049065636.db2.gz RNTJQZVMYDGETB-LSDHHAIUSA-N 1 2 339.266 4.440 20 10 EICDLO CC[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955160 1049067926 /nfs/dbraw/zinc/06/79/26/1049067926.db2.gz RNTJQZVMYDGETB-GJZGRUSLSA-N 1 2 339.266 4.440 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc2c(s1)CCCC2 ZINC001177733935 1050287861 /nfs/dbraw/zinc/28/78/61/1050287861.db2.gz YNIUMWZQDRLLPM-UHFFFAOYSA-N 1 2 325.836 4.415 20 10 EICDLO CCN(C)c1ccc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000773754151 1050511155 /nfs/dbraw/zinc/51/11/55/1050511155.db2.gz KQYABXLPKSSQCE-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cc1 ZINC000773754151 1050511164 /nfs/dbraw/zinc/51/11/64/1050511164.db2.gz KQYABXLPKSSQCE-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO C[C@H](CCc1ccsc1)[NH2+]Cc1cccc(Br)c1O ZINC000775151404 1050641528 /nfs/dbraw/zinc/64/15/28/1050641528.db2.gz FPISKFLWDYCETJ-LLVKDONJSA-N 1 2 340.286 4.327 20 10 EICDLO C[C@H](CSC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000775151554 1050642477 /nfs/dbraw/zinc/64/24/77/1050642477.db2.gz HUKXAIAEMNCJJB-SNVBAGLBSA-N 1 2 332.307 4.165 20 10 EICDLO COc1ccc(C[N@H+](Cc2cc(F)cc(F)c2O)[C@@H](C)C2CC2)cc1 ZINC001180574320 1051026570 /nfs/dbraw/zinc/02/65/70/1051026570.db2.gz SBEVSSBTUKHZFR-ZDUSSCGKSA-N 1 2 347.405 4.480 20 10 EICDLO COc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2O)[C@@H](C)C2CC2)cc1 ZINC001180574320 1051026581 /nfs/dbraw/zinc/02/65/81/1051026581.db2.gz SBEVSSBTUKHZFR-ZDUSSCGKSA-N 1 2 347.405 4.480 20 10 EICDLO Cc1cccc(OCCC[NH2+]Cc2cc(Cl)c(F)cc2O)c1C ZINC001181390856 1051223882 /nfs/dbraw/zinc/22/38/82/1051223882.db2.gz MMVSQEBSMTXRLS-UHFFFAOYSA-N 1 2 337.822 4.360 20 10 EICDLO Cc1[nH+]cn(-c2ccc(NCc3cc(F)c(F)cc3O)cc2)c1C ZINC001182109123 1051394396 /nfs/dbraw/zinc/39/43/96/1051394396.db2.gz JGFYFHLQPUGOHA-UHFFFAOYSA-N 1 2 329.350 4.085 20 10 EICDLO COCCC1(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)CCCCC1 ZINC000775589426 1051895310 /nfs/dbraw/zinc/89/53/10/1051895310.db2.gz PUTWMRXRPUIZQH-ZDUSSCGKSA-N 1 2 327.415 4.308 20 10 EICDLO Oc1c(Cl)cc(Cl)cc1CN1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001203580023 1051935251 /nfs/dbraw/zinc/93/52/51/1051935251.db2.gz JRIBBOFEBWUJQR-OAHLLOKOSA-N 1 2 343.298 4.149 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)cc(F)c1O ZINC000850511442 1053268502 /nfs/dbraw/zinc/26/85/02/1053268502.db2.gz FBTRHYVCYFQBEV-SFYZADRCSA-N 1 2 345.237 4.162 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1ccc2c(c1)CCCO2 ZINC000853239759 1053655738 /nfs/dbraw/zinc/65/57/38/1053655738.db2.gz DEIDRSUMAJVNMH-VXGBXAGGSA-N 1 2 333.378 4.407 20 10 EICDLO C[C@@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cc(F)cc(F)c1O ZINC000866449922 1053736516 /nfs/dbraw/zinc/73/65/16/1053736516.db2.gz AAJZTTMGRURIBG-LMWSTFAQSA-N 1 2 327.415 4.447 20 10 EICDLO Cc1ccc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000866477654 1053742587 /nfs/dbraw/zinc/74/25/87/1053742587.db2.gz CYEGFRFWECOVLU-VIFPVBQESA-N 1 2 328.181 4.046 20 10 EICDLO Cc1cnc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)s1 ZINC000858145797 1054424996 /nfs/dbraw/zinc/42/49/96/1054424996.db2.gz FVJDXSQBOIGZPE-MRXNPFEDSA-N 1 2 337.439 4.037 20 10 EICDLO C[C@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1noc(-c2ccccc2)n1 ZINC001201425284 1054797006 /nfs/dbraw/zinc/79/70/06/1054797006.db2.gz PXDCXXUCRVZLJB-INIZCTEOSA-N 1 2 348.450 4.188 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccccc2S(=O)(=O)C(C)C)cc1 ZINC001201498150 1054820990 /nfs/dbraw/zinc/82/09/90/1054820990.db2.gz QCQOOSMWWVUOGY-UHFFFAOYSA-N 1 2 332.469 4.433 20 10 EICDLO CC(C)([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(F)c(F)c1 ZINC000776229893 1054945592 /nfs/dbraw/zinc/94/55/92/1054945592.db2.gz FMYCPUSBNWIBAO-UHFFFAOYSA-N 1 2 329.749 4.488 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000776248251 1055069477 /nfs/dbraw/zinc/06/94/77/1055069477.db2.gz KPBRMELSEDFSFP-AWEZNQCLSA-N 1 2 327.827 4.156 20 10 EICDLO C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000765825905 1055805291 /nfs/dbraw/zinc/80/52/91/1055805291.db2.gz XGTMJJPKUVTBDV-XLWVJDPXSA-N 1 2 333.378 4.241 20 10 EICDLO C[C@@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000766330276 1059823888 /nfs/dbraw/zinc/82/38/88/1059823888.db2.gz FLTVQQSGNPYOJZ-UWTIGNOOSA-N 1 2 333.378 4.069 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCc3sccc3C2)c1O ZINC001167350992 1021624405 /nfs/dbraw/zinc/62/44/05/1021624405.db2.gz YEOQHDZSCBLVRW-UHFFFAOYSA-N 1 2 335.856 4.258 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCc3sccc3C2)c1O ZINC001167350992 1021624417 /nfs/dbraw/zinc/62/44/17/1021624417.db2.gz YEOQHDZSCBLVRW-UHFFFAOYSA-N 1 2 335.856 4.258 20 10 EICDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905095 1022085731 /nfs/dbraw/zinc/08/57/31/1022085731.db2.gz HGKYVWCMIGVAMA-YOEHRIQHSA-N 1 2 340.471 4.169 20 10 EICDLO CC[C@@H](c1ccccc1O)[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905095 1022085744 /nfs/dbraw/zinc/08/57/44/1022085744.db2.gz HGKYVWCMIGVAMA-YOEHRIQHSA-N 1 2 340.471 4.169 20 10 EICDLO CC1(F)CC[NH+](Cc2cc(Cl)cc(Br)c2O)CC1 ZINC001141367806 1025042717 /nfs/dbraw/zinc/04/27/17/1025042717.db2.gz RBHOYAXWGMXNMG-UHFFFAOYSA-N 1 2 336.632 4.132 20 10 EICDLO CC[C@@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555262 1025153464 /nfs/dbraw/zinc/15/34/64/1025153464.db2.gz UPOOMXAJBVAZPG-WOJBJXKFSA-N 1 2 349.482 4.009 20 10 EICDLO CC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(Cl)c1O ZINC000287092615 1028672746 /nfs/dbraw/zinc/67/27/46/1028672746.db2.gz PLYJXCXLTNUFGB-NSHDSACASA-N 1 2 343.748 4.003 20 10 EICDLO O=C(c1ccncc1)c1ccccc1Nc1ccc(-c2[nH]cc[nH+]2)cc1 ZINC001213091796 1029438171 /nfs/dbraw/zinc/43/81/71/1029438171.db2.gz LRGMWLFUCXTVGO-UHFFFAOYSA-N 1 2 340.386 4.446 20 10 EICDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1nccn1-c1ccccc1 ZINC000367568502 1030212101 /nfs/dbraw/zinc/21/21/01/1030212101.db2.gz YOQWUOQSBZXQET-STQMWFEESA-N 1 2 343.377 4.268 20 10 EICDLO COc1ccccc1C1(C[NH2+]Cc2cccc(Cl)c2O)CCC1 ZINC000761225738 1036271110 /nfs/dbraw/zinc/27/11/10/1036271110.db2.gz LJKSUJAGYSWUKJ-UHFFFAOYSA-N 1 2 331.843 4.266 20 10 EICDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)s1 ZINC000272026945 1037081984 /nfs/dbraw/zinc/08/19/84/1037081984.db2.gz MJNUBHFEGXRAMJ-CQSZACIVSA-N 1 2 339.464 4.316 20 10 EICDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@H](C)c2ccccc2)s1 ZINC000272026945 1037082006 /nfs/dbraw/zinc/08/20/06/1037082006.db2.gz MJNUBHFEGXRAMJ-CQSZACIVSA-N 1 2 339.464 4.316 20 10 EICDLO Cc1[nH]ncc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000171384299 1037365723 /nfs/dbraw/zinc/36/57/23/1037365723.db2.gz KSVDAVXVLRJIQW-UHFFFAOYSA-N 1 2 329.488 4.309 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cs1 ZINC000173370097 1038295257 /nfs/dbraw/zinc/29/52/57/1038295257.db2.gz NWIZSQMHJQOTNP-ZDUSSCGKSA-N 1 2 346.496 4.067 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)cs1 ZINC000173370097 1038295281 /nfs/dbraw/zinc/29/52/81/1038295281.db2.gz NWIZSQMHJQOTNP-ZDUSSCGKSA-N 1 2 346.496 4.067 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1cc(Br)cc(F)c1O ZINC000760045132 1042997149 /nfs/dbraw/zinc/99/71/49/1042997149.db2.gz DHHODMSYTUDQOA-TVQRCGJNSA-N 1 2 328.225 4.277 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000738300005 1045054415 /nfs/dbraw/zinc/05/44/15/1045054415.db2.gz SLSSJAHFYJUCNI-HNNXBMFYSA-N 1 2 330.476 4.232 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2nc(C(C)C)no2)cc1 ZINC000738300005 1045054431 /nfs/dbraw/zinc/05/44/31/1045054431.db2.gz SLSSJAHFYJUCNI-HNNXBMFYSA-N 1 2 330.476 4.232 20 10 EICDLO Cc1ccc([C@H](C)C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000738435385 1045060429 /nfs/dbraw/zinc/06/04/29/1045060429.db2.gz HOIPAEUNUAVGTH-CYBMUJFWSA-N 1 2 334.257 4.356 20 10 EICDLO C[N@H+](CCc1cccs1)Cc1cc(Br)cc(F)c1O ZINC001235069155 1045220137 /nfs/dbraw/zinc/22/01/37/1045220137.db2.gz PRLOUPMTWWRAPP-UHFFFAOYSA-N 1 2 344.249 4.030 20 10 EICDLO C[N@@H+](CCc1cccs1)Cc1cc(Br)cc(F)c1O ZINC001235069155 1045220148 /nfs/dbraw/zinc/22/01/48/1045220148.db2.gz PRLOUPMTWWRAPP-UHFFFAOYSA-N 1 2 344.249 4.030 20 10 EICDLO C[N@H+](Cc1cccc(Br)c1O)Cc1ccc(F)cc1F ZINC000768234173 1045764439 /nfs/dbraw/zinc/76/44/39/1045764439.db2.gz VBRFMRAMDUBISN-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1cccc(Br)c1O)Cc1ccc(F)cc1F ZINC000768234173 1045764414 /nfs/dbraw/zinc/76/44/14/1045764414.db2.gz VBRFMRAMDUBISN-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@H+](Cc1ccc(Br)o1)Cc1c(O)cccc1Cl ZINC000768263859 1045773942 /nfs/dbraw/zinc/77/39/42/1045773942.db2.gz XWUYPVIGKJKLKQ-UHFFFAOYSA-N 1 2 330.609 4.033 20 10 EICDLO C[N@@H+](Cc1ccc(Br)o1)Cc1c(O)cccc1Cl ZINC000768263859 1045773967 /nfs/dbraw/zinc/77/39/67/1045773967.db2.gz XWUYPVIGKJKLKQ-UHFFFAOYSA-N 1 2 330.609 4.033 20 10 EICDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)o1 ZINC000768540475 1045817751 /nfs/dbraw/zinc/81/77/51/1045817751.db2.gz HYBZHXFPMNSQLL-OAHLLOKOSA-N 1 2 339.794 4.261 20 10 EICDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)o1 ZINC000768540475 1045817753 /nfs/dbraw/zinc/81/77/53/1045817753.db2.gz HYBZHXFPMNSQLL-OAHLLOKOSA-N 1 2 339.794 4.261 20 10 EICDLO CCOc1cccc(C[N@H+](Cc2c(F)cccc2F)C2CC2)c1O ZINC000792182313 1045874429 /nfs/dbraw/zinc/87/44/29/1045874429.db2.gz BZYYNRDPBJAVFG-UHFFFAOYSA-N 1 2 333.378 4.234 20 10 EICDLO CCOc1cccc(C[N@@H+](Cc2c(F)cccc2F)C2CC2)c1O ZINC000792182313 1045874436 /nfs/dbraw/zinc/87/44/36/1045874436.db2.gz BZYYNRDPBJAVFG-UHFFFAOYSA-N 1 2 333.378 4.234 20 10 EICDLO C[C@@]12CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]1C2(Cl)Cl ZINC000793618126 1046315243 /nfs/dbraw/zinc/31/52/43/1046315243.db2.gz ZVXZVQRGCWZHEI-WCQYABFASA-N 1 2 338.637 4.200 20 10 EICDLO C[C@@]12CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@@H]1C2(Cl)Cl ZINC000793618126 1046315259 /nfs/dbraw/zinc/31/52/59/1046315259.db2.gz ZVXZVQRGCWZHEI-WCQYABFASA-N 1 2 338.637 4.200 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc(OCCOC)c1)c1cccc(Cl)c1O ZINC000806132767 1047125037 /nfs/dbraw/zinc/12/50/37/1047125037.db2.gz ZOAHEYXCRLLCEI-GOSISDBHSA-N 1 2 349.858 4.312 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc(Cl)c1O ZINC000806136179 1047132209 /nfs/dbraw/zinc/13/22/09/1047132209.db2.gz UHCFRQGWJOAEBF-KRWDZBQOSA-N 1 2 346.858 4.470 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc(Cl)c1O ZINC000806146269 1047170825 /nfs/dbraw/zinc/17/08/25/1047170825.db2.gz MOSWRKMLCAXZKR-ZWKOTPCHSA-N 1 2 331.843 4.400 20 10 EICDLO CC[C@H]([NH2+]CC(CC)(CC)C(=O)OC)c1cccc(Cl)c1O ZINC000806158064 1047180536 /nfs/dbraw/zinc/18/05/36/1047180536.db2.gz DJUWTMDPFCFUPQ-AWEZNQCLSA-N 1 2 327.852 4.066 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001142534467 1047554715 /nfs/dbraw/zinc/55/47/15/1047554715.db2.gz KPCOZMYKQOCTMW-MRXNPFEDSA-N 1 2 325.305 4.286 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1cc(F)cc(F)c1 ZINC001142534467 1047554739 /nfs/dbraw/zinc/55/47/39/1047554739.db2.gz KPCOZMYKQOCTMW-MRXNPFEDSA-N 1 2 325.305 4.286 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000825196365 1048055710 /nfs/dbraw/zinc/05/57/10/1048055710.db2.gz DWWXQRHUQHAUNV-UHFFFAOYSA-N 1 2 349.833 4.066 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1nc2ccccc2s1 ZINC000809727939 1048477106 /nfs/dbraw/zinc/47/71/06/1048477106.db2.gz DEOTYHHJHFDNAD-UHFFFAOYSA-N 1 2 336.819 4.127 20 10 EICDLO C[C@H](C[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO)c1ccccc1 ZINC000809774866 1048506259 /nfs/dbraw/zinc/50/62/59/1048506259.db2.gz SNEVDSPISWZILO-CABCVRRESA-N 1 2 333.859 4.032 20 10 EICDLO C[C@H](C[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO)c1ccccc1 ZINC000809774866 1048506271 /nfs/dbraw/zinc/50/62/71/1048506271.db2.gz SNEVDSPISWZILO-CABCVRRESA-N 1 2 333.859 4.032 20 10 EICDLO CC(C)OC(=O)C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000809763556 1048525422 /nfs/dbraw/zinc/52/54/22/1048525422.db2.gz OUFAIUKZZOPEGK-QGZVFWFLSA-N 1 2 347.842 4.218 20 10 EICDLO COc1cc(CC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)ccc1Cl ZINC000815658121 1048562297 /nfs/dbraw/zinc/56/22/97/1048562297.db2.gz UASOOHVLENIMGH-JTQLQIEISA-N 1 2 341.785 4.226 20 10 EICDLO Oc1cc(F)c(Br)cc1C[N@H+](Cc1ccco1)C1CC1 ZINC001144308373 1048589163 /nfs/dbraw/zinc/58/91/63/1048589163.db2.gz WZTAICSORUPTKU-UHFFFAOYSA-N 1 2 340.192 4.051 20 10 EICDLO Oc1cc(F)c(Br)cc1C[N@@H+](Cc1ccco1)C1CC1 ZINC001144308373 1048589174 /nfs/dbraw/zinc/58/91/74/1048589174.db2.gz WZTAICSORUPTKU-UHFFFAOYSA-N 1 2 340.192 4.051 20 10 EICDLO O=C(Nc1ccc(N=Nc2ccccc2)cc1)N1CCn2c[nH+]cc2C1 ZINC000810143583 1048648022 /nfs/dbraw/zinc/64/80/22/1048648022.db2.gz JGOGQSFKMHBBEW-UHFFFAOYSA-N 1 2 346.394 4.346 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](CN1CCCC1)c1ccccc1 ZINC000816528542 1048824511 /nfs/dbraw/zinc/82/45/11/1048824511.db2.gz HOWOUDDNJGMNHX-SFHVURJKSA-N 1 2 348.849 4.111 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000816551471 1048828886 /nfs/dbraw/zinc/82/88/86/1048828886.db2.gz CKHGXBSBXZGNRJ-UHFFFAOYSA-N 1 2 332.762 4.130 20 10 EICDLO COc1ccc([N@H+](CCc2ccc3c(c2)CCO3)CC(C)C)cc1 ZINC001171278706 1049038050 /nfs/dbraw/zinc/03/80/50/1049038050.db2.gz RADFROSHIIZXEY-UHFFFAOYSA-N 1 2 325.452 4.335 20 10 EICDLO COc1ccc([N@@H+](CCc2ccc3c(c2)CCO3)CC(C)C)cc1 ZINC001171278706 1049038066 /nfs/dbraw/zinc/03/80/66/1049038066.db2.gz RADFROSHIIZXEY-UHFFFAOYSA-N 1 2 325.452 4.335 20 10 EICDLO CCOc1cccc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)c1O ZINC000812785449 1049575571 /nfs/dbraw/zinc/57/55/71/1049575571.db2.gz QSOSXWDRYQCLET-UHFFFAOYSA-N 1 2 337.423 4.206 20 10 EICDLO Cc1ccoc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000813882606 1049830414 /nfs/dbraw/zinc/83/04/14/1049830414.db2.gz FACCNVLMBGELRV-SECBINFHSA-N 1 2 328.181 4.046 20 10 EICDLO COc1ccc(CC[C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC001177553926 1050238218 /nfs/dbraw/zinc/23/82/18/1050238218.db2.gz FYBRNBXJRJSTAF-LBPRGKRZSA-N 1 2 337.822 4.304 20 10 EICDLO CCN(C)c1ccc(C[NH2+][C@@H](c2nccs2)c2ccccc2)cc1 ZINC000773777924 1050574211 /nfs/dbraw/zinc/57/42/11/1050574211.db2.gz WJUVLBOAEJQLOY-LJQANCHMSA-N 1 2 337.492 4.478 20 10 EICDLO O=C(C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001179925460 1050818608 /nfs/dbraw/zinc/81/86/08/1050818608.db2.gz PZFSZXUGJFJKQP-MRXNPFEDSA-N 1 2 347.817 4.422 20 10 EICDLO O=C(C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC001179925460 1050818612 /nfs/dbraw/zinc/81/86/12/1050818612.db2.gz PZFSZXUGJFJKQP-MRXNPFEDSA-N 1 2 347.817 4.422 20 10 EICDLO COc1ccccc1C[C@@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001180185203 1050896562 /nfs/dbraw/zinc/89/65/62/1050896562.db2.gz XZSQZPWCXPCDAR-GFCCVEGCSA-N 1 2 337.822 4.256 20 10 EICDLO COc1ccccc1C[C@@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001180185203 1050896567 /nfs/dbraw/zinc/89/65/67/1050896567.db2.gz XZSQZPWCXPCDAR-GFCCVEGCSA-N 1 2 337.822 4.256 20 10 EICDLO Nc1ccc(OC(=O)c2ccc(Nc3cc[nH+]c4[nH]ccc43)cc2)cc1 ZINC001174413511 1050988148 /nfs/dbraw/zinc/98/81/48/1050988148.db2.gz NCJGLPNYRLPPFJ-UHFFFAOYSA-N 1 2 344.374 4.060 20 10 EICDLO COc1ccc(C[N@H+](Cc2cc(F)cc(F)c2O)[C@H](C)C2CC2)cc1 ZINC001180574319 1051024972 /nfs/dbraw/zinc/02/49/72/1051024972.db2.gz SBEVSSBTUKHZFR-CYBMUJFWSA-N 1 2 347.405 4.480 20 10 EICDLO COc1ccc(C[N@@H+](Cc2cc(F)cc(F)c2O)[C@H](C)C2CC2)cc1 ZINC001180574319 1051024982 /nfs/dbraw/zinc/02/49/82/1051024982.db2.gz SBEVSSBTUKHZFR-CYBMUJFWSA-N 1 2 347.405 4.480 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483399 1051555528 /nfs/dbraw/zinc/55/55/28/1051555528.db2.gz TVZSQNNXQDHDLA-BXUZGUMPSA-N 1 2 331.287 4.224 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483399 1051555540 /nfs/dbraw/zinc/55/55/40/1051555540.db2.gz TVZSQNNXQDHDLA-BXUZGUMPSA-N 1 2 331.287 4.224 20 10 EICDLO CCOc1ccc([N@H+](CCCNC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001175372551 1051558730 /nfs/dbraw/zinc/55/87/30/1051558730.db2.gz WGRTYDASXGBFJB-UHFFFAOYSA-N 1 2 348.487 4.217 20 10 EICDLO CCOc1ccc([N@@H+](CCCNC(=O)OC(C)(C)C)CC2CC2)cc1 ZINC001175372551 1051558739 /nfs/dbraw/zinc/55/87/39/1051558739.db2.gz WGRTYDASXGBFJB-UHFFFAOYSA-N 1 2 348.487 4.217 20 10 EICDLO CC(C)(C)OC1CC(CC[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC000763641771 1051701499 /nfs/dbraw/zinc/70/14/99/1051701499.db2.gz JXGYVAXDHIUCLB-UHFFFAOYSA-N 1 2 329.843 4.258 20 10 EICDLO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(Cl)c1O ZINC001184238830 1051976084 /nfs/dbraw/zinc/97/60/84/1051976084.db2.gz GQYQOYXBDYOCJE-UHFFFAOYSA-N 1 2 327.815 4.068 20 10 EICDLO Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185053187 1052379659 /nfs/dbraw/zinc/37/96/59/1052379659.db2.gz AMVAEGWQFNCKDY-INIZCTEOSA-N 1 2 342.458 4.155 20 10 EICDLO Cc1ccc([C@H](C)[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667164 1052672489 /nfs/dbraw/zinc/67/24/89/1052672489.db2.gz OWINQGIEUDZGQR-LSDHHAIUSA-N 1 2 337.423 4.086 20 10 EICDLO CC[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc(Cl)c1O ZINC000850550240 1053307133 /nfs/dbraw/zinc/30/71/33/1053307133.db2.gz LZGXCGYZSNQQAF-MRXNPFEDSA-N 1 2 333.863 4.288 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC001202483807 1053512637 /nfs/dbraw/zinc/51/26/37/1053512637.db2.gz SJLDHFARCFYHNW-UHFFFAOYSA-N 1 2 348.176 4.146 20 10 EICDLO C[N@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1O ZINC000111236357 1053666248 /nfs/dbraw/zinc/66/62/48/1053666248.db2.gz RREKRFNCSKJYMR-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO C[N@@H+](Cc1csc(COc2ccccc2)n1)Cc1ccccc1O ZINC000111236357 1053666270 /nfs/dbraw/zinc/66/62/70/1053666270.db2.gz RREKRFNCSKJYMR-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715619 1053672432 /nfs/dbraw/zinc/67/24/32/1053672432.db2.gz HYNOPDPPZLXMFZ-XYPHTWIQSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000775715619 1053672436 /nfs/dbraw/zinc/67/24/36/1053672436.db2.gz HYNOPDPPZLXMFZ-XYPHTWIQSA-N 1 2 341.854 4.210 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000776151625 1054738324 /nfs/dbraw/zinc/73/83/24/1054738324.db2.gz RFUMTKWJXLJJIY-UHFFFAOYSA-N 1 2 330.790 4.065 20 10 EICDLO C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C2CCCCC2)no1 ZINC000921804292 1056597121 /nfs/dbraw/zinc/59/71/21/1056597121.db2.gz PCETVALRYFLVRV-AWEZNQCLSA-N 1 2 341.455 4.293 20 10 EICDLO Cc1ccc(CC[C@H](C)[NH2+]Cc2cccc(Br)c2O)o1 ZINC000742379734 1058604690 /nfs/dbraw/zinc/60/46/90/1058604690.db2.gz GRKQWFABGMAVBK-NSHDSACASA-N 1 2 338.245 4.167 20 10 EICDLO CC[C@H](c1ccccc1O)[N@@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905093 1022084272 /nfs/dbraw/zinc/08/42/72/1022084272.db2.gz HGKYVWCMIGVAMA-WMLDXEAASA-N 1 2 340.471 4.169 20 10 EICDLO CC[C@H](c1ccccc1O)[N@H+]1CCn2c(C3CCCC3)nnc2[C@@H]1C ZINC000377905093 1022084288 /nfs/dbraw/zinc/08/42/88/1022084288.db2.gz HGKYVWCMIGVAMA-WMLDXEAASA-N 1 2 340.471 4.169 20 10 EICDLO Cc1nnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000278812740 1023484978 /nfs/dbraw/zinc/48/49/78/1023484978.db2.gz RZTKPCRMBBCFKF-RQJHMYQMSA-N 1 2 332.256 4.271 20 10 EICDLO Cc1ccc([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c(O)c1 ZINC000273435624 1037463443 /nfs/dbraw/zinc/46/34/43/1037463443.db2.gz WVRPCKXCHWEWHG-KUHUBIRLSA-N 1 2 339.414 4.013 20 10 EICDLO CC(C)(C)c1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731847441 1043834954 /nfs/dbraw/zinc/83/49/54/1043834954.db2.gz KOXMTBJMCHIHMB-UHFFFAOYSA-N 1 2 329.444 4.018 20 10 EICDLO CC(C)(C)c1nc(C[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731847441 1043834958 /nfs/dbraw/zinc/83/49/58/1043834958.db2.gz KOXMTBJMCHIHMB-UHFFFAOYSA-N 1 2 329.444 4.018 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1Br ZINC000790962986 1045636940 /nfs/dbraw/zinc/63/69/40/1045636940.db2.gz WJKSHSBQSNAICR-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000791582724 1045764868 /nfs/dbraw/zinc/76/48/68/1045764868.db2.gz CGKCMKHKBQYFEG-AMIZOPFISA-N 1 2 335.753 4.021 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1O ZINC000791582724 1045764885 /nfs/dbraw/zinc/76/48/85/1045764885.db2.gz CGKCMKHKBQYFEG-AMIZOPFISA-N 1 2 335.753 4.021 20 10 EICDLO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2O)C1 ZINC000756611264 1045861201 /nfs/dbraw/zinc/86/12/01/1045861201.db2.gz RQGNUOSOUPVROY-DVVUODLYSA-N 1 2 348.281 4.229 20 10 EICDLO C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc(Cl)c1F ZINC000792156793 1045867090 /nfs/dbraw/zinc/86/70/90/1045867090.db2.gz NFZJHZKMSBMZBR-UHFFFAOYSA-N 1 2 345.805 4.002 20 10 EICDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1c(O)ccc(Cl)c1F ZINC000792156793 1045867092 /nfs/dbraw/zinc/86/70/92/1045867092.db2.gz NFZJHZKMSBMZBR-UHFFFAOYSA-N 1 2 345.805 4.002 20 10 EICDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333113 1045925131 /nfs/dbraw/zinc/92/51/31/1045925131.db2.gz OYFDEYXQTTUZPE-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2ccccc2Cl)C1 ZINC000769333113 1045925142 /nfs/dbraw/zinc/92/51/42/1045925142.db2.gz OYFDEYXQTTUZPE-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H]1c1ccco1 ZINC000769404899 1045951389 /nfs/dbraw/zinc/95/13/89/1045951389.db2.gz UTRXQPJTAZAQHH-IBGZPJMESA-N 1 2 335.403 4.226 20 10 EICDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@H]1c1ccco1 ZINC000769404899 1045951373 /nfs/dbraw/zinc/95/13/73/1045951373.db2.gz UTRXQPJTAZAQHH-IBGZPJMESA-N 1 2 335.403 4.226 20 10 EICDLO C[C@H]([NH2+]CCc1cn(C)c2cc(F)ccc12)c1cc(F)cc(F)c1O ZINC000769985445 1046121504 /nfs/dbraw/zinc/12/15/04/1046121504.db2.gz GHXXFYSNFFZDOZ-NSHDSACASA-N 1 2 348.368 4.195 20 10 EICDLO CCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000793235922 1046181330 /nfs/dbraw/zinc/18/13/30/1046181330.db2.gz HXBTWWWALOMSQA-FUHWJXTLSA-N 1 2 337.822 4.177 20 10 EICDLO C[C@]12CC[N@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]1C2(Cl)Cl ZINC000793618129 1046313440 /nfs/dbraw/zinc/31/34/40/1046313440.db2.gz ZVXZVQRGCWZHEI-YPMHNXCESA-N 1 2 338.637 4.200 20 10 EICDLO C[C@]12CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C[C@H]1C2(Cl)Cl ZINC000793618129 1046313456 /nfs/dbraw/zinc/31/34/56/1046313456.db2.gz ZVXZVQRGCWZHEI-YPMHNXCESA-N 1 2 338.637 4.200 20 10 EICDLO COC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000785545181 1046707375 /nfs/dbraw/zinc/70/73/75/1046707375.db2.gz SCQVUGRRILVXGG-AWEZNQCLSA-N 1 2 344.213 4.315 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131450 1047125873 /nfs/dbraw/zinc/12/58/73/1047125873.db2.gz JMVBWEBYWZXZTK-HZMBPMFUSA-N 1 2 328.243 4.025 20 10 EICDLO CC[C@H]([NH2+]CCCOCC(F)(F)F)c1cccc(Cl)c1O ZINC000806131661 1047126076 /nfs/dbraw/zinc/12/60/76/1047126076.db2.gz LKTJLHCLUHVYPO-LBPRGKRZSA-N 1 2 325.758 4.055 20 10 EICDLO CC[C@@H]([NH2+]C[C@](C)(O)c1cccs1)c1cccc(Cl)c1O ZINC000806140061 1047135780 /nfs/dbraw/zinc/13/57/80/1047135780.db2.gz GKDLQXRNTTTYDV-CJNGLKHVSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1O ZINC000806129746 1047153322 /nfs/dbraw/zinc/15/33/22/1047153322.db2.gz JGKHLSHANIZGNZ-DOMZBBRYSA-N 1 2 348.878 4.165 20 10 EICDLO CC[C@@H]([NH2+]C[C@]1(O)CCCc2ccccc21)c1cccc(Cl)c1O ZINC000806140138 1047165224 /nfs/dbraw/zinc/16/52/24/1047165224.db2.gz URWMAOLQRIVLDY-UYAOXDASSA-N 1 2 345.870 4.310 20 10 EICDLO CC[C@@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1O ZINC000806159081 1047182463 /nfs/dbraw/zinc/18/24/63/1047182463.db2.gz XIOLWGOUNDZHDN-KGLIPLIRSA-N 1 2 339.769 4.498 20 10 EICDLO CCCOc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1OC ZINC000898219498 1047569912 /nfs/dbraw/zinc/56/99/12/1047569912.db2.gz HVGLQKYZRQILCA-UHFFFAOYSA-N 1 2 335.831 4.133 20 10 EICDLO Cc1cc(C[N@@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)no1 ZINC000809547687 1048410741 /nfs/dbraw/zinc/41/07/41/1048410741.db2.gz UCZUSTRTTBRAHW-UHFFFAOYSA-N 1 2 347.462 4.178 20 10 EICDLO Cc1cc(C[N@H+](C)Cc2ccc3c(c2)CCN3Cc2ccccc2)no1 ZINC000809547687 1048410750 /nfs/dbraw/zinc/41/07/50/1048410750.db2.gz UCZUSTRTTBRAHW-UHFFFAOYSA-N 1 2 347.462 4.178 20 10 EICDLO Cc1ccc(-c2nc(C[NH2+]Cc3cc(Cl)c(F)cc3O)co2)cc1 ZINC000816553759 1048833569 /nfs/dbraw/zinc/83/35/69/1048833569.db2.gz GEAXAIXVWFLQES-UHFFFAOYSA-N 1 2 346.789 4.438 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]C1CCC(O)(c2ccccc2)CC1 ZINC000816569569 1048837010 /nfs/dbraw/zinc/83/70/10/1048837010.db2.gz PQFVBJSKECZGRE-UHFFFAOYSA-N 1 2 349.833 4.105 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573762 1048838703 /nfs/dbraw/zinc/83/87/03/1048838703.db2.gz JWMLIZPMYCLYOI-WPRPVWTQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573762 1048838712 /nfs/dbraw/zinc/83/87/12/1048838712.db2.gz JWMLIZPMYCLYOI-WPRPVWTQSA-N 1 2 325.733 4.348 20 10 EICDLO Cc1ccccc1-c1nc(C[NH2+]Cc2ccc3ccccc3c2O)no1 ZINC000816573463 1048838828 /nfs/dbraw/zinc/83/88/28/1048838828.db2.gz ZDJRFOHOSPLJPJ-UHFFFAOYSA-N 1 2 345.402 4.194 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000816650908 1048848613 /nfs/dbraw/zinc/84/86/13/1048848613.db2.gz IUPPNRDGAMRZKB-UHFFFAOYSA-N 1 2 349.711 4.215 20 10 EICDLO COc1cc(CC[NH2+]Cc2cccc(Cl)c2O)ccc1Cl ZINC000816664729 1048852054 /nfs/dbraw/zinc/85/20/54/1048852054.db2.gz CFGFBHMHTGPPAE-UHFFFAOYSA-N 1 2 326.223 4.040 20 10 EICDLO Cc1cc(NCc2cc(Cl)c3cccnc3c2O)[nH+]c2cc[nH]c21 ZINC001168525337 1048993530 /nfs/dbraw/zinc/99/35/30/1048993530.db2.gz BBUHOLDPTNTKBB-UHFFFAOYSA-N 1 2 338.798 4.391 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)cc(F)c1O ZINC000817975325 1049074821 /nfs/dbraw/zinc/07/48/21/1049074821.db2.gz KYCLRNIUICUAIX-MGPLVRAMSA-N 1 2 348.393 4.206 20 10 EICDLO C[C@@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)cc(F)c1O ZINC000817975224 1049075919 /nfs/dbraw/zinc/07/59/19/1049075919.db2.gz KYCLRNIUICUAIX-HWPZZCPQSA-N 1 2 348.393 4.206 20 10 EICDLO C[C@@H](OCCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001177142251 1050154669 /nfs/dbraw/zinc/15/46/69/1050154669.db2.gz BAIFVQSWKQOUSF-CYBMUJFWSA-N 1 2 337.822 4.442 20 10 EICDLO C[C@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001179878413 1050815190 /nfs/dbraw/zinc/81/51/90/1050815190.db2.gz PWLPTRVSSVGSJS-CQSZACIVSA-N 1 2 348.849 4.064 20 10 EICDLO C[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC001179878410 1050815780 /nfs/dbraw/zinc/81/57/80/1050815780.db2.gz PWLPTRVSSVGSJS-AWEZNQCLSA-N 1 2 348.849 4.064 20 10 EICDLO CCCCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961652 1050848181 /nfs/dbraw/zinc/84/81/81/1050848181.db2.gz GWZSSMWHUUCXKC-JKSUJKDBSA-N 1 2 325.880 4.461 20 10 EICDLO CCCCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961652 1050848184 /nfs/dbraw/zinc/84/81/84/1050848184.db2.gz GWZSSMWHUUCXKC-JKSUJKDBSA-N 1 2 325.880 4.461 20 10 EICDLO CC(C)n1ccc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)n1 ZINC000774203208 1051499093 /nfs/dbraw/zinc/49/90/93/1051499093.db2.gz STYCHZLKQZKNDD-JTQLQIEISA-N 1 2 328.243 4.327 20 10 EICDLO C[C@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919571 1052309585 /nfs/dbraw/zinc/30/95/85/1052309585.db2.gz UCOCRDSCEWZQEU-KXBFYZLASA-N 1 2 328.431 4.019 20 10 EICDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666665 1052672388 /nfs/dbraw/zinc/67/23/88/1052672388.db2.gz UJXKLCNXNPKBGN-HUUCEWRRSA-N 1 2 337.423 4.086 20 10 EICDLO CC[C@@H]([NH2+]Cc1c(OC)cccc1OC)c1cccc(Cl)c1O ZINC000850505798 1053264420 /nfs/dbraw/zinc/26/44/20/1053264420.db2.gz YLOWQSZWNWJYHG-OAHLLOKOSA-N 1 2 335.831 4.304 20 10 EICDLO C[C@@H]([NH2+]CCCc1ccco1)c1cc(Br)cc(F)c1O ZINC000850569442 1053322767 /nfs/dbraw/zinc/32/27/67/1053322767.db2.gz DWNRSGQCSZQBNK-SNVBAGLBSA-N 1 2 342.208 4.170 20 10 EICDLO Cc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775653618 1053389620 /nfs/dbraw/zinc/38/96/20/1053389620.db2.gz KLBYDZFCDDLXNA-UHFFFAOYSA-N 1 2 331.843 4.397 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC(COc2ccccc2)CC1 ZINC000775660744 1053429125 /nfs/dbraw/zinc/42/91/25/1053429125.db2.gz XMMLMRNXCMAWPL-UHFFFAOYSA-N 1 2 331.843 4.337 20 10 EICDLO C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000794836471 1053478790 /nfs/dbraw/zinc/47/87/90/1053478790.db2.gz OMAJOLMOAHAZHC-HIFPTAJRSA-N 1 2 343.298 4.367 20 10 EICDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000775678630 1053554372 /nfs/dbraw/zinc/55/43/72/1053554372.db2.gz HGXWDFQYHJAVJN-QGZVFWFLSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3cccc(F)c3)C2)c1O ZINC000775678630 1053554381 /nfs/dbraw/zinc/55/43/81/1053554381.db2.gz HGXWDFQYHJAVJN-QGZVFWFLSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000775678713 1053554796 /nfs/dbraw/zinc/55/47/96/1053554796.db2.gz IVSNRDVRJVUGDS-KRWDZBQOSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3ccccc3F)C2)c1O ZINC000775678713 1053554808 /nfs/dbraw/zinc/55/48/08/1053554808.db2.gz IVSNRDVRJVUGDS-KRWDZBQOSA-N 1 2 335.806 4.067 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715617 1053672376 /nfs/dbraw/zinc/67/23/76/1053672376.db2.gz HYNOPDPPZLXMFZ-KBRIMQKVSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000775715617 1053672381 /nfs/dbraw/zinc/67/23/81/1053672381.db2.gz HYNOPDPPZLXMFZ-KBRIMQKVSA-N 1 2 341.854 4.210 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000775725733 1053695873 /nfs/dbraw/zinc/69/58/73/1053695873.db2.gz ZHGUGELXDZUGLC-UHFFFAOYSA-N 1 2 347.817 4.206 20 10 EICDLO Cc1cc(C)c(S(C)(=O)=O)cc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498355 1054820478 /nfs/dbraw/zinc/82/04/78/1054820478.db2.gz VNOKNCLZBDTBSQ-UHFFFAOYSA-N 1 2 332.469 4.271 20 10 EICDLO COC(=O)Cc1c(F)ccc(Nc2ccc([NH2+]C(C)C)cc2)c1F ZINC001201497468 1054820709 /nfs/dbraw/zinc/82/07/09/1054820709.db2.gz HNOOSUAEVBXSMS-UHFFFAOYSA-N 1 2 334.366 4.244 20 10 EICDLO Cc1cccc2c(CC[NH2+]Cc3cc(Cl)cc(F)c3O)c[nH]c21 ZINC000776208765 1054900235 /nfs/dbraw/zinc/90/02/35/1054900235.db2.gz DHDLOXUBPKGWFP-UHFFFAOYSA-N 1 2 332.806 4.307 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000776256976 1055093355 /nfs/dbraw/zinc/09/33/55/1055093355.db2.gz UWXZALIEKZJYCC-CXAGYDPISA-N 1 2 335.806 4.052 20 10 EICDLO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C2CCCCC2)no1 ZINC000237607076 1032873892 /nfs/dbraw/zinc/87/38/92/1032873892.db2.gz OSHQSPBYWADHTC-AWEZNQCLSA-N 1 2 328.460 4.034 20 10 EICDLO C[N@H+](Cc1ccccc1O)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378371230 1022759360 /nfs/dbraw/zinc/75/93/60/1022759360.db2.gz ODVLDFSCRTXKQP-GOSISDBHSA-N 1 2 339.826 4.057 20 10 EICDLO C[N@@H+](Cc1ccccc1O)[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378371230 1022759370 /nfs/dbraw/zinc/75/93/70/1022759370.db2.gz ODVLDFSCRTXKQP-GOSISDBHSA-N 1 2 339.826 4.057 20 10 EICDLO C[N@H+](Cc1ncccc1C(F)(F)F)Cc1c(O)cccc1Cl ZINC001140338058 1022873906 /nfs/dbraw/zinc/87/39/06/1022873906.db2.gz SVFDRGZVPJXHEI-UHFFFAOYSA-N 1 2 330.737 4.091 20 10 EICDLO C[N@@H+](Cc1ncccc1C(F)(F)F)Cc1c(O)cccc1Cl ZINC001140338058 1022873917 /nfs/dbraw/zinc/87/39/17/1022873917.db2.gz SVFDRGZVPJXHEI-UHFFFAOYSA-N 1 2 330.737 4.091 20 10 EICDLO CC[C@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc(Cl)c1O ZINC000376834840 1023324184 /nfs/dbraw/zinc/32/41/84/1023324184.db2.gz PVGVKWHCZAKZAA-KRWDZBQOSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799464 1023762860 /nfs/dbraw/zinc/76/28/60/1023762860.db2.gz VCPRFKRESMCZTH-MFKMUULPSA-N 1 2 340.254 4.020 20 10 EICDLO COCC[C@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000276892912 1024675041 /nfs/dbraw/zinc/67/50/41/1024675041.db2.gz IBCIXMBJMZGSDX-RISCZKNCSA-N 1 2 325.355 4.000 20 10 EICDLO COc1ccccc1[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000151115334 1025265218 /nfs/dbraw/zinc/26/52/18/1025265218.db2.gz KUFAFXNOTBIIMN-OAQYLSRUSA-N 1 2 336.435 4.233 20 10 EICDLO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074828 1026840038 /nfs/dbraw/zinc/84/00/38/1026840038.db2.gz HHPYUINAAGQLAX-JOYOIKCWSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074828 1026840046 /nfs/dbraw/zinc/84/00/46/1026840046.db2.gz HHPYUINAAGQLAX-JOYOIKCWSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074829 1026840582 /nfs/dbraw/zinc/84/05/82/1026840582.db2.gz HHPYUINAAGQLAX-SKDRFNHKSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@H]1C[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074829 1026840587 /nfs/dbraw/zinc/84/05/87/1026840587.db2.gz HHPYUINAAGQLAX-SKDRFNHKSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132608 1027403942 /nfs/dbraw/zinc/40/39/42/1027403942.db2.gz FFGZREGSNNTZGP-SNVBAGLBSA-N 1 2 332.669 4.430 20 10 EICDLO CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132608 1027403953 /nfs/dbraw/zinc/40/39/53/1027403953.db2.gz FFGZREGSNNTZGP-SNVBAGLBSA-N 1 2 332.669 4.430 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305770251 1031299311 /nfs/dbraw/zinc/29/93/11/1031299311.db2.gz GZUGGTXJFXJLJL-UKRRQHHQSA-N 1 2 337.872 4.195 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000305770251 1031299320 /nfs/dbraw/zinc/29/93/20/1031299320.db2.gz GZUGGTXJFXJLJL-UKRRQHHQSA-N 1 2 337.872 4.195 20 10 EICDLO COc1cc(Cl)cc(C[N@@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000761202785 1036027790 /nfs/dbraw/zinc/02/77/90/1036027790.db2.gz LTGKIXOMRXIXIW-SUMWQHHRSA-N 1 2 347.842 4.016 20 10 EICDLO COc1cc(Cl)cc(C[N@H+]2C[C@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000761202785 1036027808 /nfs/dbraw/zinc/02/78/08/1036027808.db2.gz LTGKIXOMRXIXIW-SUMWQHHRSA-N 1 2 347.842 4.016 20 10 EICDLO COCCC(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000760893131 1037577141 /nfs/dbraw/zinc/57/71/41/1037577141.db2.gz BNFABAQOMQZQRJ-SNVBAGLBSA-N 1 2 348.256 4.007 20 10 EICDLO CSc1cccc(F)c1C[NH2+][C@H](C)c1ccc(F)c(F)c1O ZINC000287572115 1041468975 /nfs/dbraw/zinc/46/89/75/1041468975.db2.gz QPPDKDOQSANBKI-SECBINFHSA-N 1 2 327.371 4.382 20 10 EICDLO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715766244 1044119594 /nfs/dbraw/zinc/11/95/94/1044119594.db2.gz PAGZJKCZBLZTSQ-BMIGLBTASA-N 1 2 330.241 4.352 20 10 EICDLO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715766247 1044120193 /nfs/dbraw/zinc/12/01/93/1044120193.db2.gz PAGZJKCZBLZTSQ-MEBBXXQBSA-N 1 2 330.241 4.352 20 10 EICDLO CCN(CC)c1ccc(CNc2cc(C)[nH+]c(C3CC3)n2)cc1F ZINC000734834673 1044694975 /nfs/dbraw/zinc/69/49/75/1044694975.db2.gz CLPLHXZVUGTSKS-UHFFFAOYSA-N 1 2 328.435 4.260 20 10 EICDLO Cc1cc(C[NH2+]Cc2nnc(C(C)C)s2)c(C)n1-c1ccccc1 ZINC000895632631 1044833133 /nfs/dbraw/zinc/83/31/33/1044833133.db2.gz QSSYOSNZDXQVAG-UHFFFAOYSA-N 1 2 340.496 4.359 20 10 EICDLO COc1cccc2c1OCCC[C@@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000895640333 1044836847 /nfs/dbraw/zinc/83/68/47/1044836847.db2.gz PEOIBTYWZWYNLO-HNNXBMFYSA-N 1 2 333.815 4.058 20 10 EICDLO C[C@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC2(CCC2)C1 ZINC000895822091 1044914773 /nfs/dbraw/zinc/91/47/73/1044914773.db2.gz MZBPYSFABQUHEE-INIZCTEOSA-N 1 2 327.827 4.014 20 10 EICDLO Oc1ccc(Cl)c(F)c1CN[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000790950136 1045635029 /nfs/dbraw/zinc/63/50/29/1045635029.db2.gz VNWYKBXENQMDRV-KRWDZBQOSA-N 1 2 348.849 4.111 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC000790976419 1045662938 /nfs/dbraw/zinc/66/29/38/1045662938.db2.gz BWSQCGGQOWNLQV-LBPRGKRZSA-N 1 2 328.170 4.061 20 10 EICDLO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769509395 1046004497 /nfs/dbraw/zinc/00/44/97/1046004497.db2.gz XWRYZDVWSYIATP-HNNXBMFYSA-N 1 2 336.204 4.241 20 10 EICDLO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000769509395 1046004513 /nfs/dbraw/zinc/00/45/13/1046004513.db2.gz XWRYZDVWSYIATP-HNNXBMFYSA-N 1 2 336.204 4.241 20 10 EICDLO COCCC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000793232273 1046179994 /nfs/dbraw/zinc/17/99/94/1046179994.db2.gz KYUKKNLUGIJGEW-QGZVFWFLSA-N 1 2 333.859 4.173 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1O ZINC000806135865 1047130863 /nfs/dbraw/zinc/13/08/63/1047130863.db2.gz XNVLGOKNNPSEIM-SFHVURJKSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1O ZINC000806135682 1047132149 /nfs/dbraw/zinc/13/21/49/1047132149.db2.gz VKGXANRXXSFPQW-SFHVURJKSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@@H]([NH2+]Cc1c(C)cc(C)nc1OC)c1cccc(Cl)c1O ZINC000806137633 1047134093 /nfs/dbraw/zinc/13/40/93/1047134093.db2.gz QDPMAQYIUKBEPL-MRXNPFEDSA-N 1 2 334.847 4.307 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806128143 1047152329 /nfs/dbraw/zinc/15/23/29/1047152329.db2.gz GPRIQPIXDDOMAJ-APWZRJJASA-N 1 2 344.886 4.361 20 10 EICDLO CC[C@H]([NH2+]C[C@H](c1ccsc1)N(C)C)c1cccc(Cl)c1O ZINC000806129590 1047152827 /nfs/dbraw/zinc/15/28/27/1047152827.db2.gz GXDOMFGCSZXMOR-JKSUJKDBSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1O ZINC000806147874 1047170064 /nfs/dbraw/zinc/17/00/64/1047170064.db2.gz NVMMCLXAKALTPH-AOMKIAJQSA-N 1 2 337.872 4.024 20 10 EICDLO CC[C@@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1O ZINC000806150124 1047173208 /nfs/dbraw/zinc/17/32/08/1047173208.db2.gz LVZXCNFTTPIMMT-CXAGYDPISA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(Cl)c1O ZINC000806154203 1047179114 /nfs/dbraw/zinc/17/91/14/1047179114.db2.gz DOLQAWASJGKJQX-OXXUSNJHSA-N 1 2 335.875 4.434 20 10 EICDLO CSC1(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000788607500 1047232164 /nfs/dbraw/zinc/23/21/64/1047232164.db2.gz VBTWMGPOMSHXLY-VIFPVBQESA-N 1 2 348.281 4.230 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000789769987 1047470292 /nfs/dbraw/zinc/47/02/92/1047470292.db2.gz QAEDMSJLPZYGKN-CQSZACIVSA-N 1 2 348.849 4.191 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001142524632 1047498066 /nfs/dbraw/zinc/49/80/66/1047498066.db2.gz FAFRDDLRQRDRDO-INIZCTEOSA-N 1 2 339.382 4.100 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCSC[C@H]1c1ccc(F)cc1 ZINC001142524632 1047498087 /nfs/dbraw/zinc/49/80/87/1047498087.db2.gz FAFRDDLRQRDRDO-INIZCTEOSA-N 1 2 339.382 4.100 20 10 EICDLO Cc1c(C[NH2+]Cc2cccc(Cl)c2O)sc2nc(C)nc(C)c12 ZINC000898220276 1047572417 /nfs/dbraw/zinc/57/24/17/1047572417.db2.gz XVXOFXQJQBZXID-UHFFFAOYSA-N 1 2 347.871 4.265 20 10 EICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054098 1048306830 /nfs/dbraw/zinc/30/68/30/1048306830.db2.gz GVIJHWYMPICMOX-OAHLLOKOSA-N 1 2 347.528 4.247 20 10 EICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054098 1048306843 /nfs/dbraw/zinc/30/68/43/1048306843.db2.gz GVIJHWYMPICMOX-OAHLLOKOSA-N 1 2 347.528 4.247 20 10 EICDLO CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccccc1)c1cccc(Cl)c1O ZINC000810247082 1048728174 /nfs/dbraw/zinc/72/81/74/1048728174.db2.gz SQJXWLWAVQCRLE-KPFFTGBYSA-N 1 2 345.870 4.253 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573759 1048838468 /nfs/dbraw/zinc/83/84/68/1048838468.db2.gz JWMLIZPMYCLYOI-PSASIEDQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573759 1048838472 /nfs/dbraw/zinc/83/84/72/1048838472.db2.gz JWMLIZPMYCLYOI-PSASIEDQSA-N 1 2 325.733 4.348 20 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CC[C@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc(Cl)c1O ZINC000866478161 1053742396 /nfs/dbraw/zinc/74/23/96/1053742396.db2.gz FWEHDVULXZXNFP-SFHVURJKSA-N 1 2 331.843 4.359 20 10 EICDLO CC[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(C)cs1 ZINC000858129402 1054420042 /nfs/dbraw/zinc/42/00/42/1054420042.db2.gz QAONGEMZCVZLAN-CQSZACIVSA-N 1 2 325.428 4.037 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc(N(C)C(C)=O)cc1)c1cccc(Cl)c1O ZINC000858497248 1054503372 /nfs/dbraw/zinc/50/33/72/1054503372.db2.gz FQUSFRBBLVCURY-SFHVURJKSA-N 1 2 346.858 4.269 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1COc2c1cccc2Cl ZINC000776251236 1055058102 /nfs/dbraw/zinc/05/81/02/1055058102.db2.gz RSOWYTICDGRMOA-CYBMUJFWSA-N 1 2 328.170 4.061 20 10 EICDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)n1 ZINC000776253135 1055060555 /nfs/dbraw/zinc/06/05/55/1055060555.db2.gz JFIMQKAUTCFSNM-UHFFFAOYSA-N 1 2 338.810 4.047 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(C(F)(F)F)nc1 ZINC000877829048 1055130435 /nfs/dbraw/zinc/13/04/35/1055130435.db2.gz 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CC[C@@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806150143 1047173737 /nfs/dbraw/zinc/17/37/37/1047173737.db2.gz MCUNAICAMHXICU-QGZVFWFLSA-N 1 2 335.879 4.069 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)c1nccn1-c1ccccc1 ZINC000806176208 1047174776 /nfs/dbraw/zinc/17/47/76/1047174776.db2.gz JNXQUTJUXHKIAF-CHWSQXEVSA-N 1 2 343.377 4.268 20 10 EICDLO CC[C@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806150494 1047175788 /nfs/dbraw/zinc/17/57/88/1047175788.db2.gz UKGBRQGSHFBERN-WMZOPIPTSA-N 1 2 337.822 4.133 20 10 EICDLO CC[C@@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806164353 1047188877 /nfs/dbraw/zinc/18/88/77/1047188877.db2.gz QZCLPOYNQBROTE-CRAIPNDOSA-N 1 2 333.859 4.080 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000788532703 1047232097 /nfs/dbraw/zinc/23/20/97/1047232097.db2.gz SRILXCAKOMPSOD-UHFFFAOYSA-N 1 2 336.140 4.406 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+](Cc1ccccc1)Cc1ccccn1 ZINC001142509056 1047434276 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4.273 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775669850 1053476922 /nfs/dbraw/zinc/47/69/22/1053476922.db2.gz RDQMDNHSOCLVOF-IEBWSBKVSA-N 1 2 349.833 4.273 20 10 EICDLO CCOCc1cc(C[NH2+][C@H](CF)c2ccc(F)cc2)ccc1OC ZINC000865823843 1053600944 /nfs/dbraw/zinc/60/09/44/1053600944.db2.gz WCFRNIYWPNTBOU-GOSISDBHSA-N 1 2 335.394 4.171 20 10 EICDLO COc1ccccc1[C@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775715317 1053663358 /nfs/dbraw/zinc/66/33/58/1053663358.db2.gz WUSRBDRMLPFGSH-LBPRGKRZSA-N 1 2 335.806 4.183 20 10 EICDLO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775715317 1053663361 /nfs/dbraw/zinc/66/33/61/1053663361.db2.gz WUSRBDRMLPFGSH-LBPRGKRZSA-N 1 2 335.806 4.183 20 10 EICDLO CC(C)c1nc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000111232936 1053665024 /nfs/dbraw/zinc/66/50/24/1053665024.db2.gz XGZGZOWTJMVTRY-QGZVFWFLSA-N 1 2 346.496 4.153 20 10 EICDLO CC(C)c1nc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000111232936 1053665032 /nfs/dbraw/zinc/66/50/32/1053665032.db2.gz XGZGZOWTJMVTRY-QGZVFWFLSA-N 1 2 346.496 4.153 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715618 1053671851 /nfs/dbraw/zinc/67/18/51/1053671851.db2.gz HYNOPDPPZLXMFZ-XKQJLSEDSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000775715618 1053671865 /nfs/dbraw/zinc/67/18/65/1053671865.db2.gz HYNOPDPPZLXMFZ-XKQJLSEDSA-N 1 2 341.854 4.210 20 10 EICDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)c1ccc(C)cc1 ZINC000775717275 1053672728 /nfs/dbraw/zinc/67/27/28/1053672728.db2.gz OBJXODIKKGIIBI-KRWDZBQOSA-N 1 2 337.822 4.049 20 10 EICDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@H](O)c1ccc(C)cc1 ZINC000775717275 1053672736 /nfs/dbraw/zinc/67/27/36/1053672736.db2.gz OBJXODIKKGIIBI-KRWDZBQOSA-N 1 2 337.822 4.049 20 10 EICDLO C[C@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000775834949 1054116522 /nfs/dbraw/zinc/11/65/22/1054116522.db2.gz WVSPKXUNXMMHMS-VIFPVBQESA-N 1 2 344.327 4.299 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC001198919303 1054303951 /nfs/dbraw/zinc/30/39/51/1054303951.db2.gz WQNRFRNLXVZUCD-GOSISDBHSA-N 1 2 342.801 4.459 20 10 EICDLO CC[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(Cl)c1O ZINC000858449585 1054492966 /nfs/dbraw/zinc/49/29/66/1054492966.db2.gz OMFNMWZAAXGABL-STQMWFEESA-N 1 2 347.768 4.086 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(Br)cc1 ZINC000124743759 1054604296 /nfs/dbraw/zinc/60/42/96/1054604296.db2.gz LTTIMTWHYNOZJO-UHFFFAOYSA-N 1 2 326.621 4.098 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000776169713 1054799945 /nfs/dbraw/zinc/79/99/45/1054799945.db2.gz PJJLEORUBBJLLA-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO COc1cc(Nc2ccc([NH2+]C(C)C)cc2)c(C(C)=O)cc1OC ZINC001201498411 1054820540 /nfs/dbraw/zinc/82/05/40/1054820540.db2.gz XUHTXGDRNISFHH-UHFFFAOYSA-N 1 2 328.412 4.470 20 10 EICDLO CO[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000776219375 1054935875 /nfs/dbraw/zinc/93/58/75/1054935875.db2.gz GHNZDXITRICYLB-OAHLLOKOSA-N 1 2 344.213 4.315 20 10 EICDLO OCC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)c(F)c1 ZINC000877663683 1055103865 /nfs/dbraw/zinc/10/38/65/1055103865.db2.gz FSYUHLWMDVCRTB-HNNXBMFYSA-N 1 2 344.213 4.051 20 10 EICDLO C[C@@H](c1ccccc1)[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000119280090 1055146505 /nfs/dbraw/zinc/14/65/05/1055146505.db2.gz WRPBOTOFTALLBT-HNNXBMFYSA-N 1 2 349.434 4.416 20 10 EICDLO C[C@@H](c1ccccc1)[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000119280090 1055146507 /nfs/dbraw/zinc/14/65/07/1055146507.db2.gz WRPBOTOFTALLBT-HNNXBMFYSA-N 1 2 349.434 4.416 20 10 EICDLO Oc1ccc2cc(Br)ccc2c1C[N@@H+]1CCC(F)(F)C1 ZINC000776293268 1055178697 /nfs/dbraw/zinc/17/86/97/1055178697.db2.gz WOAGORUWPYRCCZ-UHFFFAOYSA-N 1 2 342.183 4.149 20 10 EICDLO Oc1ccc2cc(Br)ccc2c1C[N@H+]1CCC(F)(F)C1 ZINC000776293268 1055178702 /nfs/dbraw/zinc/17/87/02/1055178702.db2.gz WOAGORUWPYRCCZ-UHFFFAOYSA-N 1 2 342.183 4.149 20 10 EICDLO CC1CCN(c2ccc(C[NH2+]Cc3nc(C(C)(C)C)co3)cc2)CC1 ZINC000921717440 1056127956 /nfs/dbraw/zinc/12/79/56/1056127956.db2.gz QQHIXKHUPMIXOO-UHFFFAOYSA-N 1 2 341.499 4.498 20 10 EICDLO C[C@H]([NH2+]C1CC(OCc2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000766330275 1059824236 /nfs/dbraw/zinc/82/42/36/1059824236.db2.gz FLTVQQSGNPYOJZ-JQRITLKVSA-N 1 2 333.378 4.069 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687161 1023745823 /nfs/dbraw/zinc/74/58/23/1023745823.db2.gz IXGIYKQVYSVQRY-CABZTGNLSA-N 1 2 340.254 4.020 20 10 EICDLO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708133876 1027408880 /nfs/dbraw/zinc/40/88/80/1027408880.db2.gz NSHGPXOEVAHVLQ-CYBMUJFWSA-N 1 2 332.669 4.429 20 10 EICDLO CC(C)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708133876 1027408891 /nfs/dbraw/zinc/40/88/91/1027408891.db2.gz NSHGPXOEVAHVLQ-CYBMUJFWSA-N 1 2 332.669 4.429 20 10 EICDLO Cc1nc(N2CC=C(c3c[nH]c4cc(F)ccc43)CC2)c(C)c(C)[nH+]1 ZINC000301701720 1029792449 /nfs/dbraw/zinc/79/24/49/1029792449.db2.gz TTZSUCVESQUWIH-UHFFFAOYSA-N 1 2 336.414 4.316 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305770250 1031301585 /nfs/dbraw/zinc/30/15/85/1031301585.db2.gz GZUGGTXJFXJLJL-HIFRSBDPSA-N 1 2 337.872 4.195 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000305770250 1031301599 /nfs/dbraw/zinc/30/15/99/1031301599.db2.gz GZUGGTXJFXJLJL-HIFRSBDPSA-N 1 2 337.872 4.195 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000780386159 1031629711 /nfs/dbraw/zinc/62/97/11/1031629711.db2.gz VHEFLGHLOKGCAI-BXKDBHETSA-N 1 2 349.780 4.411 20 10 EICDLO CC[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715789229 1044576464 /nfs/dbraw/zinc/57/64/64/1044576464.db2.gz OFTXEAWMSXBLFN-ZWNOBZJWSA-N 1 2 330.241 4.352 20 10 EICDLO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000768273449 1045776617 /nfs/dbraw/zinc/77/66/17/1045776617.db2.gz ZQWJLRPDOJAPCE-RQJHMYQMSA-N 1 2 344.146 4.285 20 10 EICDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000787302915 1046988083 /nfs/dbraw/zinc/98/80/83/1046988083.db2.gz MVYVINXXNUMTJB-OAHLLOKOSA-N 1 2 344.213 4.315 20 10 EICDLO CC[C@@H]([NH2+]CCn1cnc2ccccc21)c1cccc(Cl)c1O ZINC000806135640 1047132538 /nfs/dbraw/zinc/13/25/38/1047132538.db2.gz VAUAOLHBYNQFDY-OAHLLOKOSA-N 1 2 329.831 4.136 20 10 EICDLO CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131962 1047155821 /nfs/dbraw/zinc/15/58/21/1047155821.db2.gz QLUDYDHIIHIRCF-HNNXBMFYSA-N 1 2 342.270 4.417 20 10 EICDLO CC[C@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccc(Cl)c1O ZINC000806140136 1047165404 /nfs/dbraw/zinc/16/54/04/1047165404.db2.gz URWMAOLQRIVLDY-ICSRJNTNSA-N 1 2 345.870 4.310 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1O ZINC000806141041 1047165634 /nfs/dbraw/zinc/16/56/34/1047165634.db2.gz PFSGRZYTHLZPMD-DOTOQJQBSA-N 1 2 331.847 4.262 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc2c(c1)CCO2)c1cccc(Cl)c1O ZINC000806140178 1047166643 /nfs/dbraw/zinc/16/66/43/1047166643.db2.gz VMQZOTSFXYGJGL-QGZVFWFLSA-N 1 2 331.843 4.264 20 10 EICDLO CC[C@@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806141136 1047167895 /nfs/dbraw/zinc/16/78/95/1047167895.db2.gz GUXXQWIDFMVCJS-APPDUMDISA-N 1 2 335.879 4.068 20 10 EICDLO CC[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(Cl)c1O ZINC000806143840 1047168598 /nfs/dbraw/zinc/16/85/98/1047168598.db2.gz MJLKHROUCZTMDA-CYBMUJFWSA-N 1 2 347.768 4.045 20 10 EICDLO CC[C@H]([NH2+][C@H](COC)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806141268 1047169115 /nfs/dbraw/zinc/16/91/15/1047169115.db2.gz HJMYRTXLUZTPPZ-YJBOKZPZSA-N 1 2 333.859 4.344 20 10 EICDLO CC[C@H]([NH2+]Cc1cccc2c1OCCO2)c1cccc(Cl)c1O ZINC000806145945 1047170636 /nfs/dbraw/zinc/17/06/36/1047170636.db2.gz IMGRCOJMQFJFSX-HNNXBMFYSA-N 1 2 333.815 4.058 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1O ZINC000806147016 1047171659 /nfs/dbraw/zinc/17/16/59/1047171659.db2.gz SISWJZUYCBNWCE-HZPDHXFCSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(Cl)c1O ZINC000806150604 1047175524 /nfs/dbraw/zinc/17/55/24/1047175524.db2.gz WJGQIGBDFKAQBK-XJKSGUPXSA-N 1 2 325.880 4.275 20 10 EICDLO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1O ZINC000806149502 1047176299 /nfs/dbraw/zinc/17/62/99/1047176299.db2.gz FNBQHOUQSRBSQK-MRXNPFEDSA-N 1 2 334.803 4.237 20 10 EICDLO CC[C@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000806160041 1047182171 /nfs/dbraw/zinc/18/21/71/1047182171.db2.gz DWKHMXUPCAMJQU-HKUYNNGSSA-N 1 2 333.859 4.384 20 10 EICDLO CC[C@H]([NH2+]CC[C@@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000806160044 1047182664 /nfs/dbraw/zinc/18/26/64/1047182664.db2.gz DWKHMXUPCAMJQU-PKOBYXMFSA-N 1 2 333.859 4.384 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)cc(F)c1O ZINC000806179717 1047200796 /nfs/dbraw/zinc/20/07/96/1047200796.db2.gz VGDLYTCEGNEPPJ-UWVGGRQHSA-N 1 2 348.281 4.088 20 10 EICDLO CCC(CC)[C@H](CC[NH2+]Cc1cccc(Br)c1O)OC ZINC000746761558 1047289235 /nfs/dbraw/zinc/28/92/35/1047289235.db2.gz QIANCTIZMXXFJW-HNNXBMFYSA-N 1 2 344.293 4.086 20 10 EICDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000789780431 1047474886 /nfs/dbraw/zinc/47/48/86/1047474886.db2.gz VXJGBZJPUGDEFG-SJLPKXTDSA-N 1 2 337.822 4.033 20 10 EICDLO OCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000809776616 1048505445 /nfs/dbraw/zinc/50/54/45/1048505445.db2.gz LAZFZMHSMGYPNO-OAHLLOKOSA-N 1 2 344.213 4.051 20 10 EICDLO COc1ccc2[nH]cc(CC[NH2+]Cc3cc(Cl)c(F)cc3O)c2c1 ZINC000816550680 1048827941 /nfs/dbraw/zinc/82/79/41/1048827941.db2.gz YBLJXIQRASETMA-UHFFFAOYSA-N 1 2 348.805 4.007 20 10 EICDLO Oc1cc(F)c(Cl)cc1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000816563602 1048837495 /nfs/dbraw/zinc/83/74/95/1048837495.db2.gz CXLDBNCGGBJZOQ-UHFFFAOYSA-N 1 2 335.810 4.182 20 10 EICDLO COCc1ccc([C@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)o1 ZINC000816570863 1048838401 /nfs/dbraw/zinc/83/84/01/1048838401.db2.gz JTDNSHQLTIWHQK-OAHLLOKOSA-N 1 2 339.794 4.261 20 10 EICDLO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)o1 ZINC000816570863 1048838407 /nfs/dbraw/zinc/83/84/07/1048838407.db2.gz JTDNSHQLTIWHQK-OAHLLOKOSA-N 1 2 339.794 4.261 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@H](O)c1cccc(F)c1)c1cccc(Cl)c1O ZINC000806147222 1049589557 /nfs/dbraw/zinc/58/95/57/1049589557.db2.gz HAKNKIHRKGIHHR-NVGVWMPQSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001178748322 1050542545 /nfs/dbraw/zinc/54/25/45/1050542545.db2.gz UDJGWNDKXMQSCK-GHMZBOCLSA-N 1 2 330.241 4.210 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001204237368 1050615138 /nfs/dbraw/zinc/61/51/38/1050615138.db2.gz LTPVPRQCXJNEOC-CSMYWGQOSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001204237368 1050615168 /nfs/dbraw/zinc/61/51/68/1050615168.db2.gz LTPVPRQCXJNEOC-CSMYWGQOSA-N 1 2 341.854 4.210 20 10 EICDLO Cc1cc(C[NH2+]Cc2nn(C)cc2Cl)c(C)n1-c1cccc(C)c1 ZINC001179332586 1050676827 /nfs/dbraw/zinc/67/68/27/1050676827.db2.gz BXTJDQMVMLRRLY-UHFFFAOYSA-N 1 2 342.874 4.079 20 10 EICDLO COc1ccc([N@@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)c(C)c1 ZINC001174022048 1050707446 /nfs/dbraw/zinc/70/74/46/1050707446.db2.gz HLBQIXIHABNLNA-SMLNAYLFSA-N 1 2 333.395 4.271 20 10 EICDLO COc1ccc([N@H+]2C(=N)C=CC(/N=N/c3ccccc3)=C2N)c(C)c1 ZINC001174022048 1050707457 /nfs/dbraw/zinc/70/74/57/1050707457.db2.gz HLBQIXIHABNLNA-SMLNAYLFSA-N 1 2 333.395 4.271 20 10 EICDLO CCCCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961650 1050848873 /nfs/dbraw/zinc/84/88/73/1050848873.db2.gz GWZSSMWHUUCXKC-HZPDHXFCSA-N 1 2 325.880 4.461 20 10 EICDLO CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961650 1050848882 /nfs/dbraw/zinc/84/88/82/1050848882.db2.gz GWZSSMWHUUCXKC-HZPDHXFCSA-N 1 2 325.880 4.461 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483402 1051554691 /nfs/dbraw/zinc/55/46/91/1051554691.db2.gz TVZSQNNXQDHDLA-SMDDNHRTSA-N 1 2 331.287 4.224 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483402 1051554698 /nfs/dbraw/zinc/55/46/98/1051554698.db2.gz TVZSQNNXQDHDLA-SMDDNHRTSA-N 1 2 331.287 4.224 20 10 EICDLO Oc1c(C[N@@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045662 1051767878 /nfs/dbraw/zinc/76/78/78/1051767878.db2.gz MCNGYDSJYSBZLY-GFCCVEGCSA-N 1 2 339.332 4.328 20 10 EICDLO Oc1c(C[N@H+]2CCC[C@@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045662 1051767890 /nfs/dbraw/zinc/76/78/90/1051767890.db2.gz MCNGYDSJYSBZLY-GFCCVEGCSA-N 1 2 339.332 4.328 20 10 EICDLO Cc1csc(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001183854605 1051907708 /nfs/dbraw/zinc/90/77/08/1051907708.db2.gz IVJHFOHPFNZOCM-CYBMUJFWSA-N 1 2 336.888 4.265 20 10 EICDLO Cc1csc(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001183854605 1051907719 /nfs/dbraw/zinc/90/77/19/1051907719.db2.gz IVJHFOHPFNZOCM-CYBMUJFWSA-N 1 2 336.888 4.265 20 10 EICDLO Nc1ccc(N(c2ccc(N)cc2)c2ccc[nH+]c2N2CCCC2)cc1 ZINC001184963863 1052133317 /nfs/dbraw/zinc/13/33/17/1052133317.db2.gz DOKTUDTYWPILCH-UHFFFAOYSA-N 1 2 345.450 4.316 20 10 EICDLO CC[C@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1O ZINC000850513613 1053274384 /nfs/dbraw/zinc/27/43/84/1053274384.db2.gz HPKQWAUCMZVPGW-ROUUACIJSA-N 1 2 349.858 4.483 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000775648422 1053342253 /nfs/dbraw/zinc/34/22/53/1053342253.db2.gz UFWWBDMFVKZABB-GOSISDBHSA-N 1 2 349.833 4.130 20 10 EICDLO C[C@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715065 1053663919 /nfs/dbraw/zinc/66/39/19/1053663919.db2.gz BGEAEPGAOHNUKA-SJCJKPOMSA-N 1 2 335.806 4.147 20 10 EICDLO C[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715065 1053663924 /nfs/dbraw/zinc/66/39/24/1053663924.db2.gz BGEAEPGAOHNUKA-SJCJKPOMSA-N 1 2 335.806 4.147 20 10 EICDLO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Nc1ccccc1 ZINC001199118367 1054353219 /nfs/dbraw/zinc/35/32/19/1054353219.db2.gz MBPOVDIJLNPSME-QGZVFWFLSA-N 1 2 336.838 4.411 20 10 EICDLO c1cc(N2CCCC2)ccc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001199554648 1054424612 /nfs/dbraw/zinc/42/46/12/1054424612.db2.gz VFNDNMYBZPMNRE-UHFFFAOYSA-N 1 2 336.483 4.284 20 10 EICDLO Cc1cnc([C@@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C2CC2)s1 ZINC000858145796 1054425370 /nfs/dbraw/zinc/42/53/70/1054425370.db2.gz FVJDXSQBOIGZPE-INIZCTEOSA-N 1 2 337.439 4.037 20 10 EICDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ncccc1Cl ZINC000859059319 1054614605 /nfs/dbraw/zinc/61/46/05/1054614605.db2.gz DHRBZCDBSPTYNE-UHFFFAOYSA-N 1 2 329.875 4.357 20 10 EICDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ncccc1Cl ZINC000859059319 1054614617 /nfs/dbraw/zinc/61/46/17/1054614617.db2.gz DHRBZCDBSPTYNE-UHFFFAOYSA-N 1 2 329.875 4.357 20 10 EICDLO CCOc1cc(Nc2ccc([NH2+]C(C)C)cc2)cc(C(=O)OC)c1 ZINC001201500256 1054822677 /nfs/dbraw/zinc/82/26/77/1054822677.db2.gz WPNMBJKCLQIJDT-UHFFFAOYSA-N 1 2 328.412 4.436 20 10 EICDLO CN(C)c1ccc(/C=C/CNc2c[nH+]ccc2OC(C)(C)C)cc1 ZINC001201794639 1054905998 /nfs/dbraw/zinc/90/59/98/1054905998.db2.gz DZKFMIGRDJCGLU-VOTSOKGWSA-N 1 2 325.456 4.450 20 10 EICDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)[C@H]1c1ccncc1 ZINC000862375985 1055056310 /nfs/dbraw/zinc/05/63/10/1055056310.db2.gz FBAMTVGFIORWQD-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000776248255 1055069896 /nfs/dbraw/zinc/06/98/96/1055069896.db2.gz KPBRMELSEDFSFP-CQSZACIVSA-N 1 2 327.827 4.156 20 10 EICDLO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756379427 1022548670 /nfs/dbraw/zinc/54/86/70/1022548670.db2.gz NIUXKYHARHDTPX-ZJUUUORDSA-N 1 2 342.208 4.169 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccccc1-n1ccnc1)c1cccc(Cl)c1O ZINC000376834841 1023323325 /nfs/dbraw/zinc/32/33/25/1023323325.db2.gz PVGVKWHCZAKZAA-QGZVFWFLSA-N 1 2 341.842 4.472 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C1CC(c2ccccc2)C1 ZINC000105492432 1025384981 /nfs/dbraw/zinc/38/49/81/1025384981.db2.gz GVZWJNVZIQBDGE-UHFFFAOYSA-N 1 2 332.241 4.191 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1nc(C(F)(F)F)cs1 ZINC000278995124 1025906576 /nfs/dbraw/zinc/90/65/76/1025906576.db2.gz JTPNWKOYTBMDKC-ZETCQYMHSA-N 1 2 336.766 4.372 20 10 EICDLO COC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000279407883 1026417782 /nfs/dbraw/zinc/41/77/82/1026417782.db2.gz DNIRSJHDHQXLJC-ZUZCIYMTSA-N 1 2 341.785 4.362 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1nc(C(F)(F)F)cs1)c1ccc(F)cc1O ZINC000279479448 1026447716 /nfs/dbraw/zinc/44/77/16/1026447716.db2.gz KQYYTILPTNETHQ-SFYZADRCSA-N 1 2 334.338 4.418 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCc1ccccc1 ZINC000715744582 1043615035 /nfs/dbraw/zinc/61/50/35/1043615035.db2.gz IUYKYOZOWPFISL-UHFFFAOYSA-N 1 2 338.220 4.016 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC000790972897 1045661102 /nfs/dbraw/zinc/66/11/02/1045661102.db2.gz KBOHJILTDQKDOX-UHFFFAOYSA-N 1 2 337.675 4.031 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H]2c2cc(C)on2)cc1F ZINC000768431197 1045806936 /nfs/dbraw/zinc/80/69/36/1045806936.db2.gz XJXOMRZQVOOJLZ-LJQANCHMSA-N 1 2 331.435 4.305 20 10 EICDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H]2c2cc(C)on2)cc1F ZINC000768431197 1045806939 /nfs/dbraw/zinc/80/69/39/1045806939.db2.gz XJXOMRZQVOOJLZ-LJQANCHMSA-N 1 2 331.435 4.305 20 10 EICDLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC000768529986 1045815354 /nfs/dbraw/zinc/81/53/54/1045815354.db2.gz AXDYNRJRBKJKOI-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c(O)c1 ZINC000768529986 1045815356 /nfs/dbraw/zinc/81/53/56/1045815356.db2.gz AXDYNRJRBKJKOI-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCc1ccc([C@@H]2C[N@H+](Cc3cccc(Cl)c3O)CCO2)cc1 ZINC000792188829 1045876569 /nfs/dbraw/zinc/87/65/69/1045876569.db2.gz LYRYOPNZSVZHIW-SFHVURJKSA-N 1 2 331.843 4.182 20 10 EICDLO CCc1ccc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3O)CCO2)cc1 ZINC000792188829 1045876573 /nfs/dbraw/zinc/87/65/73/1045876573.db2.gz LYRYOPNZSVZHIW-SFHVURJKSA-N 1 2 331.843 4.182 20 10 EICDLO CCOc1ccc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)c1 ZINC000769330829 1045923743 /nfs/dbraw/zinc/92/37/43/1045923743.db2.gz BCWJBBFSBBBEME-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c(O)c1 ZINC000769330829 1045923761 /nfs/dbraw/zinc/92/37/61/1045923761.db2.gz BCWJBBFSBBBEME-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCSCC[C@@H](C)[N@@H+](C)Cc1cccc(Br)c1O ZINC000769548113 1046015872 /nfs/dbraw/zinc/01/58/72/1046015872.db2.gz DZVFVOCFZLKFJC-LLVKDONJSA-N 1 2 332.307 4.118 20 10 EICDLO CCSCC[C@@H](C)[N@H+](C)Cc1cccc(Br)c1O ZINC000769548113 1046015856 /nfs/dbraw/zinc/01/58/56/1046015856.db2.gz DZVFVOCFZLKFJC-LLVKDONJSA-N 1 2 332.307 4.118 20 10 EICDLO CCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000793235923 1046182145 /nfs/dbraw/zinc/18/21/45/1046182145.db2.gz HXBTWWWALOMSQA-SJLPKXTDSA-N 1 2 337.822 4.177 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cccc(Cl)c1O ZINC000806132860 1047125440 /nfs/dbraw/zinc/12/54/40/1047125440.db2.gz BSWNVNJXZRQOEM-DYVFJYSZSA-N 1 2 331.843 4.338 20 10 EICDLO CC[C@@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc(Cl)c1O ZINC000806136517 1047131791 /nfs/dbraw/zinc/13/17/91/1047131791.db2.gz DQMXXSTXMNZFEV-CQSZACIVSA-N 1 2 337.851 4.226 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)c1cccc(Cl)c1O ZINC000806128829 1047146391 /nfs/dbraw/zinc/14/63/91/1047146391.db2.gz PEDJYGLFPQMIME-MRXNPFEDSA-N 1 2 347.842 4.100 20 10 EICDLO CC[C@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1O ZINC000806129891 1047153043 /nfs/dbraw/zinc/15/30/43/1047153043.db2.gz LSNNLJKZEPMMNT-SFHVURJKSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@H]([NH2+][C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1O ZINC000806139288 1047163749 /nfs/dbraw/zinc/16/37/49/1047163749.db2.gz MTUICHNOKGCHHG-YGRLFVJLSA-N 1 2 345.830 4.429 20 10 EICDLO CC[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1O ZINC000806141630 1047165766 /nfs/dbraw/zinc/16/57/66/1047165766.db2.gz UTVHSJCINJVVLC-GOEBONIOSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806141210 1047167704 /nfs/dbraw/zinc/16/77/04/1047167704.db2.gz QHHWIYABQUSCCJ-MZPVMMEZSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@@H]([NH2+][C@H](COC)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806141266 1047168656 /nfs/dbraw/zinc/16/86/56/1047168656.db2.gz HJMYRTXLUZTPPZ-MAUKXSAKSA-N 1 2 333.859 4.344 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1O ZINC000806149142 1047173550 /nfs/dbraw/zinc/17/35/50/1047173550.db2.gz BCUGFSPSMAUAOG-XJKSGUPXSA-N 1 2 339.863 4.162 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(Cl)c1O ZINC000806149494 1047174617 /nfs/dbraw/zinc/17/46/17/1047174617.db2.gz UNACBNWKFZVJNA-MRXNPFEDSA-N 1 2 347.842 4.448 20 10 EICDLO CC[C@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc(Cl)c1O ZINC000806150602 1047174836 /nfs/dbraw/zinc/17/48/36/1047174836.db2.gz WJGQIGBDFKAQBK-CJNGLKHVSA-N 1 2 325.880 4.275 20 10 EICDLO CC[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1O ZINC000806159082 1047183213 /nfs/dbraw/zinc/18/32/13/1047183213.db2.gz XIOLWGOUNDZHDN-UONOGXRCSA-N 1 2 339.769 4.498 20 10 EICDLO CC(C)N(CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)C(C)C ZINC000788505065 1047206744 /nfs/dbraw/zinc/20/67/44/1047206744.db2.gz RLSKGEDTXLGAQG-CYBMUJFWSA-N 1 2 332.410 4.180 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001142524633 1047498785 /nfs/dbraw/zinc/49/87/85/1047498785.db2.gz FAFRDDLRQRDRDO-MRXNPFEDSA-N 1 2 339.382 4.100 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCSC[C@@H]1c1ccc(F)cc1 ZINC001142524633 1047498791 /nfs/dbraw/zinc/49/87/91/1047498791.db2.gz FAFRDDLRQRDRDO-MRXNPFEDSA-N 1 2 339.382 4.100 20 10 EICDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@H]1c1cccnc1 ZINC000814171702 1047865070 /nfs/dbraw/zinc/86/50/70/1047865070.db2.gz UTIIVJPMCVHABF-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)[C@H]1c1cccnc1 ZINC000814171702 1047865073 /nfs/dbraw/zinc/86/50/73/1047865073.db2.gz UTIIVJPMCVHABF-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO COC[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000808453953 1047920499 /nfs/dbraw/zinc/92/04/99/1047920499.db2.gz BPORPVBVKJFYCU-AWEZNQCLSA-N 1 2 344.213 4.315 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045742 1048025055 /nfs/dbraw/zinc/02/50/55/1048025055.db2.gz KGZZMEPCMJBIFS-NSHDSACASA-N 1 2 345.723 4.379 20 10 EICDLO CCc1nc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815577812 1048518204 /nfs/dbraw/zinc/51/82/04/1048518204.db2.gz ACCSKIRFQNEHGP-SECBINFHSA-N 1 2 330.375 4.281 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2F)C2CC2)c1O ZINC000748046530 1048700112 /nfs/dbraw/zinc/70/01/12/1048700112.db2.gz ILCDNACUCPPUPJ-UHFFFAOYSA-N 1 2 331.362 4.038 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2F)C2CC2)c1O ZINC000748046530 1048700126 /nfs/dbraw/zinc/70/01/26/1048700126.db2.gz ILCDNACUCPPUPJ-UHFFFAOYSA-N 1 2 331.362 4.038 20 10 EICDLO CC[N@H+](Cc1ncc(CSC)s1)Cc1ccc(N(C)C)cc1 ZINC000816480377 1048811371 /nfs/dbraw/zinc/81/13/71/1048811371.db2.gz LODWHNJETBXKNG-UHFFFAOYSA-N 1 2 335.542 4.094 20 10 EICDLO CC[N@@H+](Cc1ncc(CSC)s1)Cc1ccc(N(C)C)cc1 ZINC000816480377 1048811375 /nfs/dbraw/zinc/81/13/75/1048811375.db2.gz LODWHNJETBXKNG-UHFFFAOYSA-N 1 2 335.542 4.094 20 10 EICDLO CC[C@@]1(C[NH2+]Cc2cccc(Cl)c2O)OCCc2ccccc21 ZINC000811509984 1049122802 /nfs/dbraw/zinc/12/28/02/1049122802.db2.gz OTGBPWTYTIPSBH-IBGZPJMESA-N 1 2 331.843 4.013 20 10 EICDLO CCN(C)c1ccc(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)cc1 ZINC000773834888 1050800600 /nfs/dbraw/zinc/80/06/00/1050800600.db2.gz CKDXDHMMIZTGBL-HNNXBMFYSA-N 1 2 342.487 4.424 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001179963416 1050851269 /nfs/dbraw/zinc/85/12/69/1050851269.db2.gz ZCKJRPOYGYQDRL-UHFFFAOYSA-N 1 2 341.357 4.489 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC001179963416 1050851276 /nfs/dbraw/zinc/85/12/76/1050851276.db2.gz ZCKJRPOYGYQDRL-UHFFFAOYSA-N 1 2 341.357 4.489 20 10 EICDLO COc1ccc(C[C@@H]2CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cc1 ZINC001180117232 1050889542 /nfs/dbraw/zinc/88/95/42/1050889542.db2.gz UXMSUHYNOBRSRD-HNNXBMFYSA-N 1 2 335.806 4.010 20 10 EICDLO COc1ccc(C[C@@H]2CC[N@H+]2Cc2cc(Cl)cc(F)c2O)cc1 ZINC001180117232 1050889544 /nfs/dbraw/zinc/88/95/44/1050889544.db2.gz UXMSUHYNOBRSRD-HNNXBMFYSA-N 1 2 335.806 4.010 20 10 EICDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC001180585850 1051045088 /nfs/dbraw/zinc/04/50/88/1051045088.db2.gz OSMCJVYVVARVHV-KRWDZBQOSA-N 1 2 349.377 4.025 20 10 EICDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc(F)cc(F)c2O)c(OC)c1 ZINC001180585850 1051045101 /nfs/dbraw/zinc/04/51/01/1051045101.db2.gz OSMCJVYVVARVHV-KRWDZBQOSA-N 1 2 349.377 4.025 20 10 EICDLO CC[C@H]([NH2+]CCCCn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775490356 1051576513 /nfs/dbraw/zinc/57/65/13/1051576513.db2.gz CJBKXKGMHVLXQV-AWEZNQCLSA-N 1 2 342.270 4.417 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658606 1052665938 /nfs/dbraw/zinc/66/59/38/1052665938.db2.gz OKWLJQIYSNXCBS-BXWFABGCSA-N 1 2 342.458 4.235 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658606 1052665941 /nfs/dbraw/zinc/66/59/41/1052665941.db2.gz OKWLJQIYSNXCBS-BXWFABGCSA-N 1 2 342.458 4.235 20 10 EICDLO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666642 1052672894 /nfs/dbraw/zinc/67/28/94/1052672894.db2.gz UJXKLCNXNPKBGN-GJZGRUSLSA-N 1 2 337.423 4.086 20 10 EICDLO CCOc1ccc([N@H+](CC)CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000775622967 1053205140 /nfs/dbraw/zinc/20/51/40/1053205140.db2.gz BGXPEBVLDCUUHC-UHFFFAOYSA-N 1 2 346.515 4.196 20 10 EICDLO CCOc1ccc([N@@H+](CC)CC2CCN(C(=O)C(C)(C)C)CC2)cc1 ZINC000775622967 1053205174 /nfs/dbraw/zinc/20/51/74/1053205174.db2.gz BGXPEBVLDCUUHC-UHFFFAOYSA-N 1 2 346.515 4.196 20 10 EICDLO COc1ccnc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)c1F ZINC000850537641 1053300732 /nfs/dbraw/zinc/30/07/32/1053300732.db2.gz WICLXIFTSBFWNH-QMMMGPOBSA-N 1 2 345.201 4.093 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000850541175 1053304675 /nfs/dbraw/zinc/30/46/75/1053304675.db2.gz SPLUGDUQECLCSW-JCGIZDLHSA-N 1 2 347.890 4.231 20 10 EICDLO CC[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(Cl)c1O ZINC000850565933 1053319663 /nfs/dbraw/zinc/31/96/63/1053319663.db2.gz HXOZAVJXNZDUCC-ZDUSSCGKSA-N 1 2 333.806 4.027 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000775662429 1053428987 /nfs/dbraw/zinc/42/89/87/1053428987.db2.gz XGSWPPAWOIZWNN-QGZVFWFLSA-N 1 2 331.843 4.227 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC000775662429 1053428993 /nfs/dbraw/zinc/42/89/93/1053428993.db2.gz XGSWPPAWOIZWNN-QGZVFWFLSA-N 1 2 331.843 4.227 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775670456 1053466777 /nfs/dbraw/zinc/46/67/77/1053466777.db2.gz ZHKNVSWIBVLXFO-MJGOQNOKSA-N 1 2 331.843 4.134 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775670456 1053466785 /nfs/dbraw/zinc/46/67/85/1053466785.db2.gz ZHKNVSWIBVLXFO-MJGOQNOKSA-N 1 2 331.843 4.134 20 10 EICDLO C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC(F)F ZINC000842891008 1053580512 /nfs/dbraw/zinc/58/05/12/1053580512.db2.gz VWNRQNSCCQWFOU-YUMQZZPRSA-N 1 2 340.183 4.236 20 10 EICDLO Cc1nc2c(s1)[C@@H]([N@H+](C)Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000775696050 1053612592 /nfs/dbraw/zinc/61/25/92/1053612592.db2.gz VRTKBMFWBCQDEU-AWEZNQCLSA-N 1 2 340.851 4.459 20 10 EICDLO Cc1nc2c(s1)[C@@H]([N@@H+](C)Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000775696050 1053612596 /nfs/dbraw/zinc/61/25/96/1053612596.db2.gz VRTKBMFWBCQDEU-AWEZNQCLSA-N 1 2 340.851 4.459 20 10 EICDLO C[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000775707965 1053638473 /nfs/dbraw/zinc/63/84/73/1053638473.db2.gz KJECFFDJYXMQFJ-KRWDZBQOSA-N 1 2 330.859 4.146 20 10 EICDLO C[N@H+](Cc1cccc(Cl)c1O)[C@H]1CCCN(c2ccccc2)C1 ZINC000775707965 1053638468 /nfs/dbraw/zinc/63/84/68/1053638468.db2.gz KJECFFDJYXMQFJ-KRWDZBQOSA-N 1 2 330.859 4.146 20 10 EICDLO Cc1nc2ccccc2n1CCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001198943380 1054307478 /nfs/dbraw/zinc/30/74/78/1054307478.db2.gz YPZKWUQEIPOYMH-UHFFFAOYSA-N 1 2 347.821 4.023 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014795 1054439837 /nfs/dbraw/zinc/43/98/37/1054439837.db2.gz QGEAOWQBHBYSDJ-IBGZPJMESA-N 1 2 347.817 4.206 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014795 1054439844 /nfs/dbraw/zinc/43/98/44/1054439844.db2.gz QGEAOWQBHBYSDJ-IBGZPJMESA-N 1 2 347.817 4.206 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000124718066 1054597855 /nfs/dbraw/zinc/59/78/55/1054597855.db2.gz MRTNLLLRQCPMSA-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO Cc1ccc2c(CC[NH2+]Cc3cc(Cl)cc(F)c3O)c[nH]c2c1 ZINC000776151941 1054739796 /nfs/dbraw/zinc/73/97/96/1054739796.db2.gz ZQKXAVRTGNYJHM-UHFFFAOYSA-N 1 2 332.806 4.307 20 10 EICDLO COC(=O)c1cc(OC)c(OC)cc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201498075 1054820797 /nfs/dbraw/zinc/82/07/97/1054820797.db2.gz PIJOINZNXCBXSV-UHFFFAOYSA-N 1 2 344.411 4.054 20 10 EICDLO Cc1cc(Nc2ccc([NH2+]C(C)C)cc2)ccc1N1CCOCC1 ZINC001201498253 1054820955 /nfs/dbraw/zinc/82/09/55/1054820955.db2.gz VXSDMJQSHQOWCK-UHFFFAOYSA-N 1 2 325.456 4.396 20 10 EICDLO COC(=O)c1nc2cc(Nc3ccc([NH2+]C(C)C)cc3)ccc2o1 ZINC001201504683 1054822460 /nfs/dbraw/zinc/82/24/60/1054822460.db2.gz HGGIHURLIQZNME-UHFFFAOYSA-N 1 2 325.368 4.178 20 10 EICDLO Cc1nc(C)c(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC000862367024 1055056177 /nfs/dbraw/zinc/05/61/77/1055056177.db2.gz SGGFXNMVKOWKPT-UHFFFAOYSA-N 1 2 339.439 4.153 20 10 EICDLO Cc1nc(C)c(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC000862367024 1055056191 /nfs/dbraw/zinc/05/61/91/1055056191.db2.gz SGGFXNMVKOWKPT-UHFFFAOYSA-N 1 2 339.439 4.153 20 10 EICDLO CC1(C)C[N@H+](Cc2c(O)cccc2Br)[C@@H]1c1cccnc1 ZINC000862373259 1055056512 /nfs/dbraw/zinc/05/65/12/1055056512.db2.gz CTZCNCOKJAIPLD-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)[C@@H]1c1cccnc1 ZINC000862373259 1055056528 /nfs/dbraw/zinc/05/65/28/1055056528.db2.gz CTZCNCOKJAIPLD-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CCC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC000715717770 1056705986 /nfs/dbraw/zinc/70/59/86/1056705986.db2.gz KJFSBFITNJPYDV-AWEZNQCLSA-N 1 2 330.241 4.352 20 10 EICDLO C[C@@H](Nc1cccc2c1CN(c1cccc[nH+]1)C2)c1ccccc1O ZINC000360000333 1032231732 /nfs/dbraw/zinc/23/17/32/1032231732.db2.gz RHOLQFLDAPKWDK-OAHLLOKOSA-N 1 2 331.419 4.481 20 10 EICDLO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nc(C2CCCCC2)no1 ZINC000237500847 1032867510 /nfs/dbraw/zinc/86/75/10/1032867510.db2.gz OSHQSPBYWADHTC-CQSZACIVSA-N 1 2 328.460 4.034 20 10 EICDLO C[C@@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1O ZINC000278822716 1022361964 /nfs/dbraw/zinc/36/19/64/1022361964.db2.gz SQVGXPQRBOEOPX-OQPBUACISA-N 1 2 326.227 4.150 20 10 EICDLO Cc1cc(O)c(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)cc1C ZINC000074722660 1023393809 /nfs/dbraw/zinc/39/38/09/1023393809.db2.gz HEBLUJVKRISCLP-UHFFFAOYSA-N 1 2 330.375 4.116 20 10 EICDLO Cc1cc(O)c(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)cc1C ZINC000074722660 1023393820 /nfs/dbraw/zinc/39/38/20/1023393820.db2.gz HEBLUJVKRISCLP-UHFFFAOYSA-N 1 2 330.375 4.116 20 10 EICDLO COCC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000276892905 1024673870 /nfs/dbraw/zinc/67/38/70/1024673870.db2.gz IBCIXMBJMZGSDX-BXUZGUMPSA-N 1 2 325.355 4.000 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC001167544834 1026075106 /nfs/dbraw/zinc/07/51/06/1026075106.db2.gz WVFDABJWPAXKAW-LBPRGKRZSA-N 1 2 329.827 4.195 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C[C@@H]2C)c1O ZINC001167544834 1026075121 /nfs/dbraw/zinc/07/51/21/1026075121.db2.gz WVFDABJWPAXKAW-LBPRGKRZSA-N 1 2 329.827 4.195 20 10 EICDLO COc1cccc(CCC[N@@H+]2CCCCc3cc(OC)ccc32)c1 ZINC001168244778 1031439684 /nfs/dbraw/zinc/43/96/84/1031439684.db2.gz TVYVFJVQBQIVFW-UHFFFAOYSA-N 1 2 325.452 4.479 20 10 EICDLO COc1cccc(CCC[N@H+]2CCCCc3cc(OC)ccc32)c1 ZINC001168244778 1031439693 /nfs/dbraw/zinc/43/96/93/1031439693.db2.gz TVYVFJVQBQIVFW-UHFFFAOYSA-N 1 2 325.452 4.479 20 10 EICDLO C[N@H+](Cc1ccc(F)cc1)Cc1c(O)cc(Br)cc1F ZINC001233026946 1040083169 /nfs/dbraw/zinc/08/31/69/1040083169.db2.gz IYHSQAFAGMAGKD-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1ccc(F)cc1)Cc1c(O)cc(Br)cc1F ZINC001233026946 1040083177 /nfs/dbraw/zinc/08/31/77/1040083177.db2.gz IYHSQAFAGMAGKD-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1cc(F)ccc1F ZINC000732202176 1043887982 /nfs/dbraw/zinc/88/79/82/1043887982.db2.gz HWPMBKGWSJUIGJ-UHFFFAOYSA-N 1 2 329.346 4.466 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1cc(F)ccc1F ZINC000732202176 1043887984 /nfs/dbraw/zinc/88/79/84/1043887984.db2.gz HWPMBKGWSJUIGJ-UHFFFAOYSA-N 1 2 329.346 4.466 20 10 EICDLO CCc1cc(C[N@@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739871416 1045169569 /nfs/dbraw/zinc/16/95/69/1045169569.db2.gz COFTUXVXGLGIKR-HNNXBMFYSA-N 1 2 345.405 4.015 20 10 EICDLO CCc1cc(C[N@H+]2CCO[C@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739871416 1045169577 /nfs/dbraw/zinc/16/95/77/1045169577.db2.gz COFTUXVXGLGIKR-HNNXBMFYSA-N 1 2 345.405 4.015 20 10 EICDLO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000246990248 1045836562 /nfs/dbraw/zinc/83/65/62/1045836562.db2.gz KSEGXMKDHWHSOS-FOIQADDNSA-N 1 2 349.482 4.009 20 10 EICDLO Oc1ccc(C2=CC[N@H+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792156418 1045867986 /nfs/dbraw/zinc/86/79/86/1045867986.db2.gz CVDQUYGOPNATRC-UHFFFAOYSA-N 1 2 333.790 4.180 20 10 EICDLO Oc1ccc(C2=CC[N@@H+](Cc3c(O)ccc(Cl)c3F)CC2)cc1 ZINC000792156418 1045867988 /nfs/dbraw/zinc/86/79/88/1045867988.db2.gz CVDQUYGOPNATRC-UHFFFAOYSA-N 1 2 333.790 4.180 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000792191845 1045876185 /nfs/dbraw/zinc/87/61/85/1045876185.db2.gz BZDJSMCOGIZEJC-CQSZACIVSA-N 1 2 327.827 4.156 20 10 EICDLO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769509396 1046003985 /nfs/dbraw/zinc/00/39/85/1046003985.db2.gz XWRYZDVWSYIATP-OAHLLOKOSA-N 1 2 336.204 4.241 20 10 EICDLO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000769509396 1046003998 /nfs/dbraw/zinc/00/39/98/1046003998.db2.gz XWRYZDVWSYIATP-OAHLLOKOSA-N 1 2 336.204 4.241 20 10 EICDLO Oc1c(CNc2ccc(C3CC3)c[nH+]2)cc(Cl)c2cccnc12 ZINC001168522229 1046431065 /nfs/dbraw/zinc/43/10/65/1046431065.db2.gz BNPVYTJPFOOFCD-UHFFFAOYSA-N 1 2 325.799 4.478 20 10 EICDLO CC(C)c1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000917075145 1046637817 /nfs/dbraw/zinc/63/78/17/1046637817.db2.gz QQZANYLPFCGIJD-UHFFFAOYSA-N 1 2 329.513 4.497 20 10 EICDLO CC(C)c1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000917075145 1046637839 /nfs/dbraw/zinc/63/78/39/1046637839.db2.gz QQZANYLPFCGIJD-UHFFFAOYSA-N 1 2 329.513 4.497 20 10 EICDLO CC[C@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1O ZINC000806138215 1047135340 /nfs/dbraw/zinc/13/53/40/1047135340.db2.gz XCGUETVBQWRKHE-CJNGLKHVSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@@H]([NH2+]Cc1cnn(-c2ccccc2)c1)c1cccc(Cl)c1O ZINC000806129890 1047150008 /nfs/dbraw/zinc/15/00/08/1047150008.db2.gz LSNNLJKZEPMMNT-GOSISDBHSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@@H]([NH2+]C[C@@]1(O)CCCc2ccccc21)c1cccc(Cl)c1O ZINC000806140137 1047166529 /nfs/dbraw/zinc/16/65/29/1047166529.db2.gz URWMAOLQRIVLDY-QUCCMNQESA-N 1 2 345.870 4.310 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(Cl)c1O ZINC000806147651 1047173574 /nfs/dbraw/zinc/17/35/74/1047173574.db2.gz ZKDCTAYBVVWNHL-HUUCEWRRSA-N 1 2 341.785 4.098 20 10 EICDLO CC[C@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1O ZINC000806149556 1047174854 /nfs/dbraw/zinc/17/48/54/1047174854.db2.gz VMWPPESBBMJYIV-ROUUACIJSA-N 1 2 330.859 4.273 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1nccn1-c1ccccc1 ZINC000806176210 1047178289 /nfs/dbraw/zinc/17/82/89/1047178289.db2.gz JNXQUTJUXHKIAF-QWHCGFSZSA-N 1 2 343.377 4.268 20 10 EICDLO CC(C)N(CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(C)C ZINC000788505066 1047206067 /nfs/dbraw/zinc/20/60/67/1047206067.db2.gz RLSKGEDTXLGAQG-ZDUSSCGKSA-N 1 2 332.410 4.180 20 10 EICDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000788622326 1047251924 /nfs/dbraw/zinc/25/19/24/1047251924.db2.gz QXBKXBJQMAZWIX-JBBXEZCESA-N 1 2 335.394 4.079 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccncc1Cl ZINC000174853483 1047277885 /nfs/dbraw/zinc/27/78/85/1047277885.db2.gz BOCVGBYSBSMZIL-UHFFFAOYSA-N 1 2 328.799 4.236 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccncc1Cl ZINC000174853483 1047277895 /nfs/dbraw/zinc/27/78/95/1047277895.db2.gz BOCVGBYSBSMZIL-UHFFFAOYSA-N 1 2 328.799 4.236 20 10 EICDLO Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2cccc(Cl)c2O)c(C)c1 ZINC000898218449 1047570181 /nfs/dbraw/zinc/57/01/81/1047570181.db2.gz HHYPLZBFTCAGMI-AWEZNQCLSA-N 1 2 346.858 4.169 20 10 EICDLO Cc1cc(Br)c(O)c(C[NH2+]C2(C(F)F)CCCC2)c1 ZINC000808451104 1047914679 /nfs/dbraw/zinc/91/46/79/1047914679.db2.gz HASLOOBDCDCFJB-UHFFFAOYSA-N 1 2 334.204 4.131 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045459 1048024104 /nfs/dbraw/zinc/02/41/04/1048024104.db2.gz FEWFLOFUIMUBDG-GFCCVEGCSA-N 1 2 327.733 4.240 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1 ZINC000825085799 1048032047 /nfs/dbraw/zinc/03/20/47/1048032047.db2.gz NCRTVJQFLCCMBW-TZMCWYRMSA-N 1 2 341.835 4.256 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698572 1048458072 /nfs/dbraw/zinc/45/80/72/1048458072.db2.gz CSYZDCGSKXZIFJ-AOIWGVFYSA-N 1 2 343.854 4.050 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698572 1048458080 /nfs/dbraw/zinc/45/80/80/1048458080.db2.gz CSYZDCGSKXZIFJ-AOIWGVFYSA-N 1 2 343.854 4.050 20 10 EICDLO OCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000809776615 1048505081 /nfs/dbraw/zinc/50/50/81/1048505081.db2.gz LAZFZMHSMGYPNO-HNNXBMFYSA-N 1 2 344.213 4.051 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000816544706 1048826967 /nfs/dbraw/zinc/82/69/67/1048826967.db2.gz QIZTURYLOWDMBP-UHFFFAOYSA-N 1 2 336.769 4.137 20 10 EICDLO CC1CCN(c2ccc(C[NH2+]Cc3c(F)ccc(O)c3F)cc2)CC1 ZINC000816548562 1048828210 /nfs/dbraw/zinc/82/82/10/1048828210.db2.gz LNAZUMMIWFTGAJ-UHFFFAOYSA-N 1 2 346.421 4.197 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000846189208 1048838477 /nfs/dbraw/zinc/83/84/77/1048838477.db2.gz PPWNFVGUNPSNEE-IXDGSTSKSA-N 1 2 333.859 4.383 20 10 EICDLO C[N@H+](Cc1cc(Br)ccc1O)Cc1c(F)cccc1F ZINC000816651384 1048847813 /nfs/dbraw/zinc/84/78/13/1048847813.db2.gz FBHSJOZHWUYKFG-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1cc(Br)ccc1O)Cc1c(F)cccc1F ZINC000816651384 1048847818 /nfs/dbraw/zinc/84/78/18/1048847818.db2.gz FBHSJOZHWUYKFG-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512666 1049126634 /nfs/dbraw/zinc/12/66/34/1049126634.db2.gz JDDMZKQGHASYLJ-IBGZPJMESA-N 1 2 329.827 4.015 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512666 1049126661 /nfs/dbraw/zinc/12/66/61/1049126661.db2.gz JDDMZKQGHASYLJ-IBGZPJMESA-N 1 2 329.827 4.015 20 10 EICDLO CCOC(=O)CCCC[N@@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001171353927 1049508828 /nfs/dbraw/zinc/50/88/28/1049508828.db2.gz OCVVVXBXBRKRKT-QGZVFWFLSA-N 1 2 333.472 4.063 20 10 EICDLO CCOC(=O)CCCC[N@H+]1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC001171353927 1049508835 /nfs/dbraw/zinc/50/88/35/1049508835.db2.gz OCVVVXBXBRKRKT-QGZVFWFLSA-N 1 2 333.472 4.063 20 10 EICDLO Cc1ccoc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000813882607 1049830890 /nfs/dbraw/zinc/83/08/90/1049830890.db2.gz FACCNVLMBGELRV-VIFPVBQESA-N 1 2 328.181 4.046 20 10 EICDLO CCc1ccc(C[N@@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC001236784240 1050227436 /nfs/dbraw/zinc/22/74/36/1050227436.db2.gz SGXRZGWCTATAEW-UHFFFAOYSA-N 1 2 332.241 4.233 20 10 EICDLO CCc1ccc(C[N@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC001236784240 1050227447 /nfs/dbraw/zinc/22/74/47/1050227447.db2.gz SGXRZGWCTATAEW-UHFFFAOYSA-N 1 2 332.241 4.233 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001204237370 1050617527 /nfs/dbraw/zinc/61/75/27/1050617527.db2.gz LTPVPRQCXJNEOC-JLZZUVOBSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001204237370 1050617532 /nfs/dbraw/zinc/61/75/32/1050617532.db2.gz LTPVPRQCXJNEOC-JLZZUVOBSA-N 1 2 341.854 4.210 20 10 EICDLO COc1ccc(C[C@H]2CC[N@@H+]2Cc2cc(Cl)cc(F)c2O)cc1 ZINC001180117233 1050890897 /nfs/dbraw/zinc/89/08/97/1050890897.db2.gz UXMSUHYNOBRSRD-OAHLLOKOSA-N 1 2 335.806 4.010 20 10 EICDLO COc1ccc(C[C@H]2CC[N@H+]2Cc2cc(Cl)cc(F)c2O)cc1 ZINC001180117233 1050890901 /nfs/dbraw/zinc/89/09/01/1050890901.db2.gz UXMSUHYNOBRSRD-OAHLLOKOSA-N 1 2 335.806 4.010 20 10 EICDLO Oc1ccc(F)cc1Nc1cc[nH+]c2ccc(Br)cc12 ZINC001174625323 1051090201 /nfs/dbraw/zinc/09/02/01/1051090201.db2.gz CBKRFZBSBSNPKS-UHFFFAOYSA-N 1 2 333.160 4.008 20 10 EICDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCCc2ccccc2C1 ZINC001181464127 1051233923 /nfs/dbraw/zinc/23/39/23/1051233923.db2.gz JEPRIGNKOINXFB-MRXNPFEDSA-N 1 2 346.268 4.192 20 10 EICDLO Cc1cc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)ccc1N(C)C ZINC001190925558 1051300212 /nfs/dbraw/zinc/30/02/12/1051300212.db2.gz SGVIZSFQUIVPPW-HXUWFJFHSA-N 1 2 344.886 4.288 20 10 EICDLO Cc1cc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)ccc1N(C)C ZINC001190925558 1051300219 /nfs/dbraw/zinc/30/02/19/1051300219.db2.gz SGVIZSFQUIVPPW-HXUWFJFHSA-N 1 2 344.886 4.288 20 10 EICDLO CC(C)(C)C[N@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC001183023019 1051772510 /nfs/dbraw/zinc/77/25/10/1051772510.db2.gz CFRJHUVOZFOSSH-UHFFFAOYSA-N 1 2 341.879 4.235 20 10 EICDLO CC(C)(C)C[N@@H+](CC(=O)OC(C)(C)C)Cc1cccc(Cl)c1O ZINC001183023019 1051772523 /nfs/dbraw/zinc/77/25/23/1051772523.db2.gz CFRJHUVOZFOSSH-UHFFFAOYSA-N 1 2 341.879 4.235 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658571 1052666328 /nfs/dbraw/zinc/66/63/28/1052666328.db2.gz OKWLJQIYSNXCBS-TXPKVOOTSA-N 1 2 342.458 4.235 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658571 1052666332 /nfs/dbraw/zinc/66/63/32/1052666332.db2.gz OKWLJQIYSNXCBS-TXPKVOOTSA-N 1 2 342.458 4.235 20 10 EICDLO Cc1cc(N(C)C)ccc1C[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000775635461 1053264926 /nfs/dbraw/zinc/26/49/26/1053264926.db2.gz ZCUDXTIJWCPZKC-IBGZPJMESA-N 1 2 337.492 4.397 20 10 EICDLO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000775635462 1053266006 /nfs/dbraw/zinc/26/60/06/1053266006.db2.gz ZCUDXTIJWCPZKC-LJQANCHMSA-N 1 2 337.492 4.397 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000850574350 1053330869 /nfs/dbraw/zinc/33/08/69/1053330869.db2.gz XPTNGVYYKFDNRW-DOPJRALCSA-N 1 2 333.859 4.251 20 10 EICDLO Oc1ccc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775647991 1053340344 /nfs/dbraw/zinc/34/03/44/1053340344.db2.gz LFMVJFOLHBRDTD-UHFFFAOYSA-N 1 2 335.806 4.270 20 10 EICDLO COCCC[C@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000794822924 1053438042 /nfs/dbraw/zinc/43/80/42/1053438042.db2.gz DMVISQLMVLEGTN-RHSMWYFYSA-N 1 2 349.421 4.359 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000775665922 1053441431 /nfs/dbraw/zinc/44/14/31/1053441431.db2.gz NRMYQZJVJSSPDQ-UHFFFAOYSA-N 1 2 335.806 4.228 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000775679339 1053555312 /nfs/dbraw/zinc/55/53/12/1053555312.db2.gz XSGYTDCWIKPFSA-QGZVFWFLSA-N 1 2 335.806 4.148 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000775679339 1053555319 /nfs/dbraw/zinc/55/53/19/1053555319.db2.gz XSGYTDCWIKPFSA-QGZVFWFLSA-N 1 2 335.806 4.148 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)CCCO2)c1cc(F)cc(F)c1O ZINC000853239757 1053656224 /nfs/dbraw/zinc/65/62/24/1053656224.db2.gz DEIDRSUMAJVNMH-NWDGAFQWSA-N 1 2 333.378 4.407 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000775715067 1053663398 /nfs/dbraw/zinc/66/33/98/1053663398.db2.gz BGEAEPGAOHNUKA-SJKOYZFVSA-N 1 2 335.806 4.147 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@H](c2ccc(F)cc2)O1 ZINC000775715067 1053663404 /nfs/dbraw/zinc/66/34/04/1053663404.db2.gz BGEAEPGAOHNUKA-SJKOYZFVSA-N 1 2 335.806 4.147 20 10 EICDLO C[C@@H]([NH2+]Cc1c(F)c(F)c(F)c(F)c1F)c1ccc(N(C)C)cc1 ZINC000775834948 1054115922 /nfs/dbraw/zinc/11/59/22/1054115922.db2.gz WVSPKXUNXMMHMS-SECBINFHSA-N 1 2 344.327 4.299 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014470 1054438615 /nfs/dbraw/zinc/43/86/15/1054438615.db2.gz RWTWACPWQSLWBF-LDYMZIIASA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014470 1054438621 /nfs/dbraw/zinc/43/86/21/1054438621.db2.gz RWTWACPWQSLWBF-LDYMZIIASA-N 1 2 325.733 4.348 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014807 1054439611 /nfs/dbraw/zinc/43/96/11/1054439611.db2.gz QPBBAZPCJGXCOT-IBGZPJMESA-N 1 2 329.827 4.067 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000776014807 1054439617 /nfs/dbraw/zinc/43/96/17/1054439617.db2.gz QPBBAZPCJGXCOT-IBGZPJMESA-N 1 2 329.827 4.067 20 10 EICDLO CN(C)c1ccc(C[NH2+]Cc2ncc(Cl)s2)c(C(F)(F)F)c1 ZINC000873166131 1054496578 /nfs/dbraw/zinc/49/65/78/1054496578.db2.gz VITIGLSKVVYIEY-UHFFFAOYSA-N 1 2 349.809 4.171 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2c(Br)cccc2C(N)=O)cc1 ZINC001201498034 1054820856 /nfs/dbraw/zinc/82/08/56/1054820856.db2.gz QMDSQABGSLFWLC-UHFFFAOYSA-N 1 2 348.244 4.112 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2cccc(F)c2N2CCOCC2)cc1 ZINC001201505427 1054824279 /nfs/dbraw/zinc/82/42/79/1054824279.db2.gz MVOAFXNFFJSWRN-UHFFFAOYSA-N 1 2 329.419 4.226 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000776209174 1054904825 /nfs/dbraw/zinc/90/48/25/1054904825.db2.gz QMEQPJLFIWRVAL-UHFFFAOYSA-N 1 2 348.233 4.175 20 10 EICDLO Oc1c(C[N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565087 1054931793 /nfs/dbraw/zinc/93/17/93/1054931793.db2.gz XUFGJJOZKNUJTM-ZDUSSCGKSA-N 1 2 344.361 4.191 20 10 EICDLO Oc1c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565087 1054931806 /nfs/dbraw/zinc/93/18/06/1054931806.db2.gz XUFGJJOZKNUJTM-ZDUSSCGKSA-N 1 2 344.361 4.191 20 10 EICDLO CO[C@@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000776219373 1054936752 /nfs/dbraw/zinc/93/67/52/1054936752.db2.gz GHNZDXITRICYLB-HNNXBMFYSA-N 1 2 344.213 4.315 20 10 EICDLO CCc1nc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000862023424 1055010944 /nfs/dbraw/zinc/01/09/44/1055010944.db2.gz DCZQDFZXBSUWBV-UHFFFAOYSA-N 1 2 329.513 4.328 20 10 EICDLO CCc1nc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cs1 ZINC000862023424 1055010960 /nfs/dbraw/zinc/01/09/60/1055010960.db2.gz DCZQDFZXBSUWBV-UHFFFAOYSA-N 1 2 329.513 4.328 20 10 EICDLO CCOc1ccc(O)c(C[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000237086551 1032844976 /nfs/dbraw/zinc/84/49/76/1032844976.db2.gz JQHSVTYNMDGCFT-ZDUSSCGKSA-N 1 2 345.443 4.072 20 10 EICDLO Cc1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)[nH+]c1 ZINC001211012340 1021919749 /nfs/dbraw/zinc/91/97/49/1021919749.db2.gz GXUAKVYCVSQNOP-UHFFFAOYSA-N 1 2 335.407 4.174 20 10 EICDLO C[N@H+](Cc1nccs1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183089718 1022845283 /nfs/dbraw/zinc/84/52/83/1022845283.db2.gz RPELCSSJTCDMSO-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO C[N@@H+](Cc1nccs1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183089718 1022845287 /nfs/dbraw/zinc/84/52/87/1022845287.db2.gz RPELCSSJTCDMSO-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1ccnn1C1CCC1 ZINC000891393888 1023203310 /nfs/dbraw/zinc/20/33/10/1023203310.db2.gz LSRBJMQTGCNJKZ-UHFFFAOYSA-N 1 2 337.423 4.109 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1ccnn1C1CCC1 ZINC000891393888 1023203318 /nfs/dbraw/zinc/20/33/18/1023203318.db2.gz LSRBJMQTGCNJKZ-UHFFFAOYSA-N 1 2 337.423 4.109 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1O ZINC000376862215 1023327491 /nfs/dbraw/zinc/32/74/91/1023327491.db2.gz XCUGXSWXRRRLEO-MLGOLLRUSA-N 1 2 344.842 4.212 20 10 EICDLO CC(C)[C@H](C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)Nc1ccccc1 ZINC000756557238 1023507392 /nfs/dbraw/zinc/50/73/92/1023507392.db2.gz RNAZGVYJJGLBRU-UGSOOPFHSA-N 1 2 334.410 4.458 20 10 EICDLO CC[N@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC001167835741 1025840459 /nfs/dbraw/zinc/84/04/59/1025840459.db2.gz ROUSRAITJLHUMO-HZPDHXFCSA-N 1 2 348.487 4.025 20 10 EICDLO CC[N@@H+](C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1ccc(OC)cc1 ZINC001167835741 1025840475 /nfs/dbraw/zinc/84/04/75/1025840475.db2.gz ROUSRAITJLHUMO-HZPDHXFCSA-N 1 2 348.487 4.025 20 10 EICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000519518306 1025865667 /nfs/dbraw/zinc/86/56/67/1025865667.db2.gz ZCJFMEFNEIEOQO-IBGZPJMESA-N 1 2 337.471 4.016 20 10 EICDLO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(Cl)cc(Br)c1O ZINC000708176807 1027834619 /nfs/dbraw/zinc/83/46/19/1027834619.db2.gz HORJUTFSEQXOBN-ZCFIWIBFSA-N 1 2 346.574 4.239 20 10 EICDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000761202782 1036027307 /nfs/dbraw/zinc/02/73/07/1036027307.db2.gz LTGKIXOMRXIXIW-CXAGYDPISA-N 1 2 347.842 4.016 20 10 EICDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC[C@@H]2c2ccccc2)c1O ZINC000761202782 1036027339 /nfs/dbraw/zinc/02/73/39/1036027339.db2.gz LTGKIXOMRXIXIW-CXAGYDPISA-N 1 2 347.842 4.016 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273543160 1037501173 /nfs/dbraw/zinc/50/11/73/1037501173.db2.gz XJWQRVPFQPUZIR-RDJZCZTQSA-N 1 2 335.806 4.195 20 10 EICDLO CCN(CC)c1ccc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000727588826 1043238841 /nfs/dbraw/zinc/23/88/41/1043238841.db2.gz XATHZEQUMNAWSQ-UHFFFAOYSA-N 1 2 341.499 4.185 20 10 EICDLO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@@H]1C ZINC000715786937 1044550230 /nfs/dbraw/zinc/55/02/30/1044550230.db2.gz BVQVUGKZEZQWDM-NRUUGDAUSA-N 1 2 330.241 4.208 20 10 EICDLO CC1(C)CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715791205 1044600311 /nfs/dbraw/zinc/60/03/11/1044600311.db2.gz ZBFGPXGEZBBGGN-ZDUSSCGKSA-N 1 2 330.241 4.352 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000735324619 1044793707 /nfs/dbraw/zinc/79/37/07/1044793707.db2.gz WIHRWTSHZRKUQK-CYBMUJFWSA-N 1 2 346.268 4.049 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH+]1CCC2(CC(F)C2)CC1 ZINC001235057995 1045216324 /nfs/dbraw/zinc/21/63/24/1045216324.db2.gz GUZRTYJXWAYQPZ-UHFFFAOYSA-N 1 2 346.215 4.008 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000790986870 1045644069 /nfs/dbraw/zinc/64/40/69/1045644069.db2.gz YGFRTCZPTAGVNK-UHFFFAOYSA-N 1 2 342.197 4.063 20 10 EICDLO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@H]1c1ccco1 ZINC000769404901 1045953245 /nfs/dbraw/zinc/95/32/45/1045953245.db2.gz UTRXQPJTAZAQHH-LJQANCHMSA-N 1 2 335.403 4.226 20 10 EICDLO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H]1c1ccco1 ZINC000769404901 1045953269 /nfs/dbraw/zinc/95/32/69/1045953269.db2.gz UTRXQPJTAZAQHH-LJQANCHMSA-N 1 2 335.403 4.226 20 10 EICDLO CC[C@@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131451 1047124922 /nfs/dbraw/zinc/12/49/22/1047124922.db2.gz JMVBWEBYWZXZTK-IINYFYTJSA-N 1 2 328.243 4.025 20 10 EICDLO C[C@H]([NH2+]CCC1(F)CCC1)c1cc(Br)c(F)cc1O ZINC000806176736 1047163783 /nfs/dbraw/zinc/16/37/83/1047163783.db2.gz VOXJJDQYCMWVHO-VIFPVBQESA-N 1 2 334.204 4.227 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1O ZINC000806139285 1047163830 /nfs/dbraw/zinc/16/38/30/1047163830.db2.gz MTUICHNOKGCHHG-HZMBPMFUSA-N 1 2 345.830 4.429 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(Cl)c1O ZINC000806142017 1047165582 /nfs/dbraw/zinc/16/55/82/1047165582.db2.gz BRANFZHCMGZRGJ-CQSZACIVSA-N 1 2 325.239 4.377 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1O ZINC000806150127 1047173596 /nfs/dbraw/zinc/17/35/96/1047173596.db2.gz LVZXCNFTTPIMMT-SUMWQHHRSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1O ZINC000806149554 1047176221 /nfs/dbraw/zinc/17/62/21/1047176221.db2.gz VMWPPESBBMJYIV-QZTJIDSGSA-N 1 2 330.859 4.273 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1O ZINC000806161688 1047183924 /nfs/dbraw/zinc/18/39/24/1047183924.db2.gz MANNKTXBHKYQKU-ZBFHGGJFSA-N 1 2 335.879 4.260 20 10 EICDLO C[C@H](CCOCc1ccccc1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000806182864 1047193862 /nfs/dbraw/zinc/19/38/62/1047193862.db2.gz FPMFGMXVONIKRS-ZIAGYGMSSA-N 1 2 335.394 4.316 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)cc(F)c1O ZINC000806179716 1047202446 /nfs/dbraw/zinc/20/24/46/1047202446.db2.gz VGDLYTCEGNEPPJ-NXEZZACHSA-N 1 2 348.281 4.088 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cncs1 ZINC000897929919 1047509900 /nfs/dbraw/zinc/50/99/00/1047509900.db2.gz DPUXLMWXFYSDAV-ZETCQYMHSA-N 1 2 347.665 4.115 20 10 EICDLO COc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(Cl)c1OC ZINC000898218427 1047570031 /nfs/dbraw/zinc/57/00/31/1047570031.db2.gz HALHKMFSZQQSMF-UHFFFAOYSA-N 1 2 342.222 4.006 20 10 EICDLO CN(C)c1ccc(C[N@H+](C)Cc2cscc2Br)cc1 ZINC000809538542 1048399541 /nfs/dbraw/zinc/39/95/41/1048399541.db2.gz FYJLGWRQEQVEOQ-UHFFFAOYSA-N 1 2 339.302 4.209 20 10 EICDLO CN(C)c1ccc(C[N@@H+](C)Cc2cscc2Br)cc1 ZINC000809538542 1048399555 /nfs/dbraw/zinc/39/95/55/1048399555.db2.gz FYJLGWRQEQVEOQ-UHFFFAOYSA-N 1 2 339.302 4.209 20 10 EICDLO COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(Cl)c1 ZINC000809792719 1048536590 /nfs/dbraw/zinc/53/65/90/1048536590.db2.gz FFUHURIMLBWROF-OAHLLOKOSA-N 1 2 344.213 4.315 20 10 EICDLO COc1cccc(C2(C[NH2+][C@H](C)c3cc(F)cc(F)c3O)CC2)c1 ZINC000810240005 1048720854 /nfs/dbraw/zinc/72/08/54/1048720854.db2.gz LZWREFQFSBSFPM-GFCCVEGCSA-N 1 2 333.378 4.061 20 10 EICDLO CC[C@H]([NH2+][C@H](CO)[C@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000806145742 1048794809 /nfs/dbraw/zinc/79/48/09/1048794809.db2.gz GAZSFRNXQFFUNS-JEBQAFNWSA-N 1 2 333.859 4.251 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](CN1CCCC1)c1ccccc1 ZINC000816528541 1048824721 /nfs/dbraw/zinc/82/47/21/1048824721.db2.gz HOWOUDDNJGMNHX-GOSISDBHSA-N 1 2 348.849 4.111 20 10 EICDLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1ccc(Br)cc1O ZINC000817950622 1049063687 /nfs/dbraw/zinc/06/36/87/1049063687.db2.gz VNKPDERVZUPXLG-SNVBAGLBSA-N 1 2 333.229 4.296 20 10 EICDLO Cc1[nH+]cn(-c2ccc(NCc3c(O)cccc3Cl)cc2)c1C ZINC000812785038 1049575630 /nfs/dbraw/zinc/57/56/30/1049575630.db2.gz DBBDBRYGCRKAML-UHFFFAOYSA-N 1 2 327.815 4.460 20 10 EICDLO CCCN(Cc1ccccc1O)C(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000821439162 1049637752 /nfs/dbraw/zinc/63/77/52/1049637752.db2.gz BLUIWDINELQOIQ-UHFFFAOYSA-N 1 2 327.428 4.157 20 10 EICDLO Oc1cccc(Br)c1CNc1c[nH+]cc2c1CCCC2 ZINC001179147771 1050640392 /nfs/dbraw/zinc/64/03/92/1050640392.db2.gz JSFVYNYSPSBYHX-UHFFFAOYSA-N 1 2 333.229 4.041 20 10 EICDLO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775152675 1050644605 /nfs/dbraw/zinc/64/46/05/1050644605.db2.gz OSFTVZRQOFSSBK-DGCLKSJQSA-N 1 2 344.318 4.165 20 10 EICDLO CCc1nc(C)c([C@@H](C)[N@H+](C)Cc2ccc(F)c(F)c2O)s1 ZINC001179905742 1050829952 /nfs/dbraw/zinc/82/99/52/1050829952.db2.gz NVPVQXNDDWBXNB-SNVBAGLBSA-N 1 2 326.412 4.191 20 10 EICDLO CCc1nc(C)c([C@@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2O)s1 ZINC001179905742 1050829959 /nfs/dbraw/zinc/82/99/59/1050829959.db2.gz NVPVQXNDDWBXNB-SNVBAGLBSA-N 1 2 326.412 4.191 20 10 EICDLO CCOc1ccc([N@H+](CC[C@H](O)c2ccccc2)CC2CC2)cc1 ZINC001175372167 1051557883 /nfs/dbraw/zinc/55/78/83/1051557883.db2.gz SWNZMWWIKZUXMZ-NRFANRHFSA-N 1 2 325.452 4.425 20 10 EICDLO CCOc1ccc([N@@H+](CC[C@H](O)c2ccccc2)CC2CC2)cc1 ZINC001175372167 1051557895 /nfs/dbraw/zinc/55/78/95/1051557895.db2.gz SWNZMWWIKZUXMZ-NRFANRHFSA-N 1 2 325.452 4.425 20 10 EICDLO COc1ccc([N@H+](CCc2ccccc2)C[C@H]2CCCOC2)cc1 ZINC001191882794 1051577770 /nfs/dbraw/zinc/57/77/70/1051577770.db2.gz UQGURTLDGJNWPM-LJQANCHMSA-N 1 2 325.452 4.171 20 10 EICDLO COc1ccc([N@@H+](CCc2ccccc2)C[C@H]2CCCOC2)cc1 ZINC001191882794 1051577792 /nfs/dbraw/zinc/57/77/92/1051577792.db2.gz UQGURTLDGJNWPM-LJQANCHMSA-N 1 2 325.452 4.171 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@H]2C(C)(C)C)c1O ZINC001175700457 1051709142 /nfs/dbraw/zinc/70/91/42/1051709142.db2.gz YSFAFNWETIADHU-HNNXBMFYSA-N 1 2 341.904 4.212 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@H]2C(C)(C)C)c1O ZINC001175700457 1051709151 /nfs/dbraw/zinc/70/91/51/1051709151.db2.gz YSFAFNWETIADHU-HNNXBMFYSA-N 1 2 341.904 4.212 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC001182977552 1051764912 /nfs/dbraw/zinc/76/49/12/1051764912.db2.gz GMLOILZWENBECJ-MRXNPFEDSA-N 1 2 339.826 4.008 20 10 EICDLO C[C@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783949 1051900066 /nfs/dbraw/zinc/90/00/66/1051900066.db2.gz MONPPGFSHGGLBP-QMMMGPOBSA-N 1 2 338.167 4.015 20 10 EICDLO C[C@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783949 1051900079 /nfs/dbraw/zinc/90/00/79/1051900079.db2.gz MONPPGFSHGGLBP-QMMMGPOBSA-N 1 2 338.167 4.015 20 10 EICDLO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000850528028 1053291523 /nfs/dbraw/zinc/29/15/23/1053291523.db2.gz ZWKXFPXANVFFAN-SNVBAGLBSA-N 1 2 348.256 4.150 20 10 EICDLO CC[C@@H]([NH2+]Cc1cc(COC)cs1)c1cccc(Cl)c1O ZINC000850533239 1053299593 /nfs/dbraw/zinc/29/95/93/1053299593.db2.gz TXIGPANJIKGLAF-OAHLLOKOSA-N 1 2 325.861 4.494 20 10 EICDLO CC[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(Cl)c1O ZINC000850565931 1053320597 /nfs/dbraw/zinc/32/05/97/1053320597.db2.gz HXOZAVJXNZDUCC-CYBMUJFWSA-N 1 2 333.806 4.027 20 10 EICDLO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775644851 1053333206 /nfs/dbraw/zinc/33/32/06/1053333206.db2.gz WAXYJPNWFJZQTI-QGZVFWFLSA-N 1 2 347.842 4.400 20 10 EICDLO COc1ccc(OC)c([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775644851 1053333219 /nfs/dbraw/zinc/33/32/19/1053333219.db2.gz WAXYJPNWFJZQTI-QGZVFWFLSA-N 1 2 347.842 4.400 20 10 EICDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775658112 1053423648 /nfs/dbraw/zinc/42/36/48/1053423648.db2.gz MBGGZDLCTBPRTC-KRWDZBQOSA-N 1 2 341.842 4.269 20 10 EICDLO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775658112 1053423656 /nfs/dbraw/zinc/42/36/56/1053423656.db2.gz MBGGZDLCTBPRTC-KRWDZBQOSA-N 1 2 341.842 4.269 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000775662426 1053429326 /nfs/dbraw/zinc/42/93/26/1053429326.db2.gz XGSWPPAWOIZWNN-KRWDZBQOSA-N 1 2 331.843 4.227 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCO1 ZINC000775662426 1053429330 /nfs/dbraw/zinc/42/93/30/1053429330.db2.gz XGSWPPAWOIZWNN-KRWDZBQOSA-N 1 2 331.843 4.227 20 10 EICDLO COCCC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000794822928 1053438418 /nfs/dbraw/zinc/43/84/18/1053438418.db2.gz DMVISQLMVLEGTN-WMLDXEAASA-N 1 2 349.421 4.359 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000775665886 1053441918 /nfs/dbraw/zinc/44/19/18/1053441918.db2.gz MMUIKOKDCRHZHD-QGZVFWFLSA-N 1 2 349.833 4.366 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+](Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC000775665886 1053441920 /nfs/dbraw/zinc/44/19/20/1053441920.db2.gz MMUIKOKDCRHZHD-QGZVFWFLSA-N 1 2 349.833 4.366 20 10 EICDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@H](C)CO1 ZINC000775715467 1053663979 /nfs/dbraw/zinc/66/39/79/1053663979.db2.gz XQCULVTZNDQDNC-KDOFPFPSSA-N 1 2 331.843 4.316 20 10 EICDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@H](C)CO1 ZINC000775715467 1053663983 /nfs/dbraw/zinc/66/39/83/1053663983.db2.gz XQCULVTZNDQDNC-KDOFPFPSSA-N 1 2 331.843 4.316 20 10 EICDLO O=C(C[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O)c1ccccc1 ZINC000775721187 1053682999 /nfs/dbraw/zinc/68/29/99/1053682999.db2.gz SHEGHRUJHPHCCR-MRXNPFEDSA-N 1 2 329.827 4.283 20 10 EICDLO O=C(C[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O)c1ccccc1 ZINC000775721187 1053683005 /nfs/dbraw/zinc/68/30/05/1053683005.db2.gz SHEGHRUJHPHCCR-MRXNPFEDSA-N 1 2 329.827 4.283 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000775733775 1053713499 /nfs/dbraw/zinc/71/34/99/1053713499.db2.gz HZVCNXDTSVVVLH-SFHVURJKSA-N 1 2 345.870 4.269 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@H](OCCCc2ccccc2)C1 ZINC000775733775 1053713516 /nfs/dbraw/zinc/71/35/16/1053713516.db2.gz HZVCNXDTSVVVLH-SFHVURJKSA-N 1 2 345.870 4.269 20 10 EICDLO OCCC[N@H+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1O ZINC000775741638 1053770429 /nfs/dbraw/zinc/77/04/29/1053770429.db2.gz UEYVDBRLHVFLRT-UHFFFAOYSA-N 1 2 340.250 4.084 20 10 EICDLO OCCC[N@@H+](Cc1cccc(Cl)c1)Cc1cccc(Cl)c1O ZINC000775741638 1053770450 /nfs/dbraw/zinc/77/04/50/1053770450.db2.gz UEYVDBRLHVFLRT-UHFFFAOYSA-N 1 2 340.250 4.084 20 10 EICDLO CCOc1ccc(C[N@@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC000765671664 1053837700 /nfs/dbraw/zinc/83/77/00/1053837700.db2.gz HWLQLCGIWYWJEN-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCOc1ccc(C[N@H+]2Cc3ccc(Br)cc3C2)c(O)c1 ZINC000765671664 1053837702 /nfs/dbraw/zinc/83/77/02/1053837702.db2.gz HWLQLCGIWYWJEN-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CN(C)c1cc(F)c(C[NH2+]C2(c3nccs3)CCCC2)cc1F ZINC000858139719 1054422676 /nfs/dbraw/zinc/42/26/76/1054422676.db2.gz PSQHUFKTXBPNJC-UHFFFAOYSA-N 1 2 337.439 4.046 20 10 EICDLO CCC(CC)c1cc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)on1 ZINC000858146080 1054425171 /nfs/dbraw/zinc/42/51/71/1054425171.db2.gz OQVDJBJFLBKULH-UHFFFAOYSA-N 1 2 337.414 4.212 20 10 EICDLO CC[C@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)c1nc(C)cs1 ZINC000776177277 1054803319 /nfs/dbraw/zinc/80/33/19/1054803319.db2.gz LXJHNLOPZFIYGL-HNNXBMFYSA-N 1 2 328.840 4.365 20 10 EICDLO COc1ccc(C(C)=O)c(Nc2ccc([NH2+]C(C)C)cc2)c1OC ZINC001201497562 1054820771 /nfs/dbraw/zinc/82/07/71/1054820771.db2.gz IRTVEUDWXPLIGK-UHFFFAOYSA-N 1 2 328.412 4.470 20 10 EICDLO CCOC(=O)Cc1ccc(F)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201505370 1054822737 /nfs/dbraw/zinc/82/27/37/1054822737.db2.gz LVIDVVWUOMIRTL-UHFFFAOYSA-N 1 2 330.403 4.495 20 10 EICDLO Cc1ccc(NCc2cc(Cl)cc(Cl)c2O)c(N(C)C)[nH+]1 ZINC001201795482 1054905929 /nfs/dbraw/zinc/90/59/29/1054905929.db2.gz YPROPXFWYJQUIM-UHFFFAOYSA-N 1 2 326.227 4.081 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1c(F)cccc1Cl ZINC000776221255 1054938622 /nfs/dbraw/zinc/93/86/22/1054938622.db2.gz UMQCCAORRTVSND-BJOHPYRUSA-N 1 2 344.213 4.050 20 10 EICDLO CC(C)[C@@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nc2ccccc2[nH]1 ZINC000876986240 1054994084 /nfs/dbraw/zinc/99/40/84/1054994084.db2.gz ZXFLFYUWWZYWLS-MRXNPFEDSA-N 1 2 331.366 4.034 20 10 EICDLO COc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1Cl ZINC000776251654 1055057778 /nfs/dbraw/zinc/05/77/78/1055057778.db2.gz QRFUSVXQCXLHGI-UHFFFAOYSA-N 1 2 330.186 4.137 20 10 EICDLO C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000765825899 1055805587 /nfs/dbraw/zinc/80/55/87/1055805587.db2.gz XGTMJJPKUVTBDV-PNPHSEOMSA-N 1 2 333.378 4.241 20 10 EICDLO C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000765825903 1055805682 /nfs/dbraw/zinc/80/56/82/1055805682.db2.gz XGTMJJPKUVTBDV-WBHUJUFNSA-N 1 2 333.378 4.241 20 10 EICDLO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1cccc(Cl)c1O ZINC000379616819 1059609216 /nfs/dbraw/zinc/60/92/16/1059609216.db2.gz CXMWSUBFXPKJRM-UHFFFAOYSA-N 1 2 332.875 4.046 20 10 EICDLO C[N@H+](Cc1cc2c(cc1O)OCO2)Cc1c(Cl)cccc1Cl ZINC000746029562 1059974251 /nfs/dbraw/zinc/97/42/51/1059974251.db2.gz UFQYEDWFHJBIBX-UHFFFAOYSA-N 1 2 340.206 4.060 20 10 EICDLO C[N@@H+](Cc1cc2c(cc1O)OCO2)Cc1c(Cl)cccc1Cl ZINC000746029562 1059974278 /nfs/dbraw/zinc/97/42/78/1059974278.db2.gz UFQYEDWFHJBIBX-UHFFFAOYSA-N 1 2 340.206 4.060 20 10 EICDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000274863617 1019803156 /nfs/dbraw/zinc/80/31/56/1019803156.db2.gz DGIYKMZWZLBRBB-PKOBYXMFSA-N 1 2 339.414 4.095 20 10 EICDLO CCN(CC)c1ccc(C[NH2+]Cc2csc(C(F)(F)F)n2)cc1 ZINC000892613869 1022540363 /nfs/dbraw/zinc/54/03/63/1022540363.db2.gz BOUCDGYYCGLYLG-UHFFFAOYSA-N 1 2 343.418 4.298 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1O ZINC000376862214 1023326489 /nfs/dbraw/zinc/32/64/89/1023326489.db2.gz XCUGXSWXRRRLEO-LRDDRELGSA-N 1 2 344.842 4.212 20 10 EICDLO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000377690467 1023690462 /nfs/dbraw/zinc/69/04/62/1023690462.db2.gz GOCIIGGLBLGLEW-HNNXBMFYSA-N 1 2 347.846 4.423 20 10 EICDLO CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799463 1023763280 /nfs/dbraw/zinc/76/32/80/1023763280.db2.gz VCPRFKRESMCZTH-GXFFZTMASA-N 1 2 340.254 4.020 20 10 EICDLO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(F)c(F)c1O ZINC000276998785 1024981643 /nfs/dbraw/zinc/98/16/43/1024981643.db2.gz YXYGVVYVXDZNKT-MRVPVSSYSA-N 1 2 347.283 4.262 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1nc(C(F)(F)F)cs1 ZINC000278995117 1025904634 /nfs/dbraw/zinc/90/46/34/1025904634.db2.gz JTPNWKOYTBMDKC-SSDOTTSWSA-N 1 2 336.766 4.372 20 10 EICDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278160499 1028340207 /nfs/dbraw/zinc/34/02/07/1028340207.db2.gz AWSHSAREKOXCGT-DTWKUNHWSA-N 1 2 343.258 4.352 20 10 EICDLO C[C@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1O ZINC000185234965 1030132882 /nfs/dbraw/zinc/13/28/82/1030132882.db2.gz HGVOSEMQPNKVAX-SJCJKPOMSA-N 1 2 328.412 4.428 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1ccc(F)c(F)c1O ZINC000367568500 1030209334 /nfs/dbraw/zinc/20/93/34/1030209334.db2.gz YOQWUOQSBZXQET-OLZOCXBDSA-N 1 2 343.377 4.268 20 10 EICDLO Cc1nnc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)s1 ZINC000272026942 1037082299 /nfs/dbraw/zinc/08/22/99/1037082299.db2.gz MJNUBHFEGXRAMJ-AWEZNQCLSA-N 1 2 339.464 4.316 20 10 EICDLO Cc1nnc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)s1 ZINC000272026942 1037082313 /nfs/dbraw/zinc/08/23/13/1037082313.db2.gz MJNUBHFEGXRAMJ-AWEZNQCLSA-N 1 2 339.464 4.316 20 10 EICDLO CSCCCCCC[NH2+]Cc1cccc(Br)c1O ZINC000230149363 1037834598 /nfs/dbraw/zinc/83/45/98/1037834598.db2.gz QSQLLPXNYAWUTG-UHFFFAOYSA-N 1 2 332.307 4.168 20 10 EICDLO Cc1cc([NH+](C)C)cc(C)c1NCc1cccc(Br)c1O ZINC000760635162 1037916572 /nfs/dbraw/zinc/91/65/72/1037916572.db2.gz YNXIHVPXMJPYQN-UHFFFAOYSA-N 1 2 349.272 4.450 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC2CCC1CC2 ZINC000715767938 1044124925 /nfs/dbraw/zinc/12/49/25/1044124925.db2.gz ADLHMQNRNZBOEO-HTAVTVPLSA-N 1 2 342.252 4.210 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Br)c1O)C1CCC(F)(F)CC1 ZINC000709167926 1044834665 /nfs/dbraw/zinc/83/46/65/1044834665.db2.gz RAXUMORXXVLZQQ-JTQLQIEISA-N 1 2 348.231 4.458 20 10 EICDLO O=C(NCCn1cc[nH+]c1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000915304468 1045259177 /nfs/dbraw/zinc/25/91/77/1045259177.db2.gz VHUYTQLHKQHOEQ-UHFFFAOYSA-N 1 2 334.383 4.120 20 10 EICDLO Oc1ccc(Cl)c(F)c1CN[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000790950141 1045635069 /nfs/dbraw/zinc/63/50/69/1045635069.db2.gz VNWYKBXENQMDRV-QGZVFWFLSA-N 1 2 348.849 4.111 20 10 EICDLO Cn1cccc1[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000769536771 1046012259 /nfs/dbraw/zinc/01/22/59/1046012259.db2.gz FKNAITWCSBOVQP-INIZCTEOSA-N 1 2 349.272 4.220 20 10 EICDLO Cn1cccc1[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000769536771 1046012241 /nfs/dbraw/zinc/01/22/41/1046012241.db2.gz FKNAITWCSBOVQP-INIZCTEOSA-N 1 2 349.272 4.220 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@@H]1c1ccccc1 ZINC000769538306 1046013086 /nfs/dbraw/zinc/01/30/86/1046013086.db2.gz COKRTZPKGKUZDQ-WBMJQRKESA-N 1 2 332.241 4.348 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@@H]1c1ccccc1 ZINC000769538306 1046013072 /nfs/dbraw/zinc/01/30/72/1046013072.db2.gz COKRTZPKGKUZDQ-WBMJQRKESA-N 1 2 332.241 4.348 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]CCCc1ccccc1F ZINC000793346109 1046204678 /nfs/dbraw/zinc/20/46/78/1046204678.db2.gz GNDLJFALDORGBJ-UHFFFAOYSA-N 1 2 338.220 4.016 20 10 EICDLO Cc1ccccc1[C@H]([C@@H](C)[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000785989619 1046799607 /nfs/dbraw/zinc/79/96/07/1046799607.db2.gz VWDMOESDZSFRDO-KDOFPFPSSA-N 1 2 332.875 4.135 20 10 EICDLO CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1[O-] ZINC000806136997 1047132984 /nfs/dbraw/zinc/13/29/84/1047132984.db2.gz JMRFNLASTWGXTK-MRXNPFEDSA-N 1 2 333.863 4.374 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(Cl)c1O ZINC000806129587 1047153186 /nfs/dbraw/zinc/15/31/86/1047153186.db2.gz GXDOMFGCSZXMOR-CVEARBPZSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1O ZINC000806130559 1047154830 /nfs/dbraw/zinc/15/48/30/1047154830.db2.gz ARAAEDJFPCFKPB-HZPDHXFCSA-N 1 2 335.879 4.398 20 10 EICDLO CC[C@@H]([NH2+]CCc1cn2cccc(C)c2n1)c1cccc(Cl)c1O ZINC000806140823 1047165922 /nfs/dbraw/zinc/16/59/22/1047165922.db2.gz CATRRBUMBZYAQG-QGZVFWFLSA-N 1 2 343.858 4.285 20 10 EICDLO CC[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cccc(Cl)c1O ZINC000806143841 1047167612 /nfs/dbraw/zinc/16/76/12/1047167612.db2.gz MJLKHROUCZTMDA-ZDUSSCGKSA-N 1 2 347.768 4.045 20 10 EICDLO CC[C@@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806141152 1047168044 /nfs/dbraw/zinc/16/80/44/1047168044.db2.gz GUXXQWIDFMVCJS-PIGZYNQJSA-N 1 2 335.879 4.068 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)c1cccc(Cl)c1O ZINC000806147877 1047172494 /nfs/dbraw/zinc/17/24/94/1047172494.db2.gz NVMMCLXAKALTPH-OPAMFIHVSA-N 1 2 337.872 4.024 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1O ZINC000806149140 1047172741 /nfs/dbraw/zinc/17/27/41/1047172741.db2.gz BCUGFSPSMAUAOG-CJNGLKHVSA-N 1 2 339.863 4.162 20 10 EICDLO CC[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(Cl)c1O ZINC000806149492 1047175485 /nfs/dbraw/zinc/17/54/85/1047175485.db2.gz UNACBNWKFZVJNA-INIZCTEOSA-N 1 2 347.842 4.448 20 10 EICDLO CC[C@H]([NH2+]CCc1ccc2c[nH]nc2c1)c1cccc(Cl)c1O ZINC000806165732 1047188975 /nfs/dbraw/zinc/18/89/75/1047188975.db2.gz OJWPCYKIAKFRIF-INIZCTEOSA-N 1 2 329.831 4.205 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000788618794 1047249665 /nfs/dbraw/zinc/24/96/65/1047249665.db2.gz BKLLHAIRQBXXQP-HUUCEWRRSA-N 1 2 346.421 4.238 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000788618789 1047250347 /nfs/dbraw/zinc/25/03/47/1047250347.db2.gz BKLLHAIRQBXXQP-CABCVRRESA-N 1 2 346.421 4.238 20 10 EICDLO CCC(CC)[C@@H](CC[NH2+]Cc1cccc(Br)c1O)OC ZINC000746761560 1047289108 /nfs/dbraw/zinc/28/91/08/1047289108.db2.gz QIANCTIZMXXFJW-OAHLLOKOSA-N 1 2 344.293 4.086 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc(F)c(Cl)cc1F ZINC000789769300 1047470223 /nfs/dbraw/zinc/47/02/23/1047470223.db2.gz NRNBUECTZRTECV-UHFFFAOYSA-N 1 2 336.140 4.406 20 10 EICDLO Oc1ccc(Cl)c(F)c1CNc1ccc(N2CCCCC2)[nH+]c1 ZINC000790244208 1047540701 /nfs/dbraw/zinc/54/07/01/1047540701.db2.gz YZFNTPXOTLKFCB-UHFFFAOYSA-N 1 2 335.810 4.182 20 10 EICDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@@H]1c1cccnc1 ZINC000814171703 1047865391 /nfs/dbraw/zinc/86/53/91/1047865391.db2.gz UTIIVJPMCVHABF-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1c1cccnc1 ZINC000814171703 1047865394 /nfs/dbraw/zinc/86/53/94/1047865394.db2.gz UTIIVJPMCVHABF-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CCOCC(C)(C)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000808725426 1048072345 /nfs/dbraw/zinc/07/23/45/1048072345.db2.gz RLFARAFIGVVZCN-SNVBAGLBSA-N 1 2 348.256 4.007 20 10 EICDLO CCC[N@H+](CCc1ccccn1)Cc1cccc(Br)c1O ZINC000809734734 1048485202 /nfs/dbraw/zinc/48/52/02/1048485202.db2.gz PGSKOPONOKPRPW-UHFFFAOYSA-N 1 2 349.272 4.004 20 10 EICDLO CCC[N@@H+](CCc1ccccn1)Cc1cccc(Br)c1O ZINC000809734734 1048485230 /nfs/dbraw/zinc/48/52/30/1048485230.db2.gz PGSKOPONOKPRPW-UHFFFAOYSA-N 1 2 349.272 4.004 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000748049743 1048710291 /nfs/dbraw/zinc/71/02/91/1048710291.db2.gz QAKUHWDTJFZSMX-GOSISDBHSA-N 1 2 345.439 4.024 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@@H]2c2ccccc2)c1O ZINC000748049743 1048710305 /nfs/dbraw/zinc/71/03/05/1048710305.db2.gz QAKUHWDTJFZSMX-GOSISDBHSA-N 1 2 345.439 4.024 20 10 EICDLO CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccccc1)c1cccc(Cl)c1O ZINC000810247083 1048726570 /nfs/dbraw/zinc/72/65/70/1048726570.db2.gz SQJXWLWAVQCRLE-QRFRQXIXSA-N 1 2 345.870 4.253 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000816553737 1048833462 /nfs/dbraw/zinc/83/34/62/1048833462.db2.gz FSBFMXHVUMMHTD-UHFFFAOYSA-N 1 2 349.711 4.215 20 10 EICDLO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@@H](C)O)c1cccc(Cl)c1O ZINC000846184178 1048837439 /nfs/dbraw/zinc/83/74/39/1048837439.db2.gz RHFPXYREDVUAAK-NVGVWMPQSA-N 1 2 337.822 4.348 20 10 EICDLO COCc1ccc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)c(F)cc2O)o1 ZINC000816570862 1048838768 /nfs/dbraw/zinc/83/87/68/1048838768.db2.gz JTDNSHQLTIWHQK-HNNXBMFYSA-N 1 2 339.794 4.261 20 10 EICDLO COCc1ccc([C@@H]2CCC[N@H+]2Cc2cc(Cl)c(F)cc2O)o1 ZINC000816570862 1048838771 /nfs/dbraw/zinc/83/87/71/1048838771.db2.gz JTDNSHQLTIWHQK-HNNXBMFYSA-N 1 2 339.794 4.261 20 10 EICDLO COc1c(C)[nH+]c(C2CC2)nc1NCc1cc2ccccc2cc1O ZINC001171402812 1049625012 /nfs/dbraw/zinc/62/50/12/1049625012.db2.gz SIZQTXKVKBEJHI-UHFFFAOYSA-N 1 2 335.407 4.142 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)c1cccc(Cl)c1O ZINC000806150074 1049810575 /nfs/dbraw/zinc/81/05/75/1049810575.db2.gz KTHRVBKQTFGVKB-DSJMHWKBSA-N 1 2 343.945 4.466 20 10 EICDLO Cc1c2ccccc2n(C)c1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC001177403937 1050207325 /nfs/dbraw/zinc/20/73/25/1050207325.db2.gz LLZDXNFIHNZSSG-UHFFFAOYSA-N 1 2 334.467 4.484 20 10 EICDLO CCN(C)c1ccc(C[NH2+]C2(c3noc(C)n3)CCCCCC2)cc1 ZINC000773774986 1050565732 /nfs/dbraw/zinc/56/57/32/1050565732.db2.gz DQTRILOWTZSENJ-UHFFFAOYSA-N 1 2 342.487 4.173 20 10 EICDLO Oc1c(Nc2cc[nH+]c3ccccc23)ccc(F)c1Br ZINC001174039278 1050718038 /nfs/dbraw/zinc/71/80/38/1050718038.db2.gz LNIFKXUQZXSYDF-UHFFFAOYSA-N 1 2 333.160 4.008 20 10 EICDLO CC[N@H+](Cc1cc(Cl)c(F)cc1O)Cc1c(F)cccc1F ZINC001179868750 1050811483 /nfs/dbraw/zinc/81/14/83/1050811483.db2.gz IURHPDOXWPVEEX-UHFFFAOYSA-N 1 2 329.749 4.485 20 10 EICDLO CC[N@@H+](Cc1cc(Cl)c(F)cc1O)Cc1c(F)cccc1F ZINC001179868750 1050811487 /nfs/dbraw/zinc/81/14/87/1050811487.db2.gz IURHPDOXWPVEEX-UHFFFAOYSA-N 1 2 329.749 4.485 20 10 EICDLO CN(C)c1ccc(Nc2ccc(CCc3ccc(N)cc3)cc2)c[nH+]1 ZINC001175342920 1051512382 /nfs/dbraw/zinc/51/23/82/1051512382.db2.gz AZGXTHXSDAXMID-UHFFFAOYSA-N 1 2 332.451 4.259 20 10 EICDLO Oc1cc(F)c(F)cc1CNc1[nH+]c2ccccc2n1CC1CC1 ZINC001184463071 1052016909 /nfs/dbraw/zinc/01/69/09/1052016909.db2.gz UWJYRXHHXWXRPG-UHFFFAOYSA-N 1 2 329.350 4.042 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245483 1052549275 /nfs/dbraw/zinc/54/92/75/1052549275.db2.gz WVWHRIYITGSNNP-CABCVRRESA-N 1 2 348.487 4.156 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245483 1052549281 /nfs/dbraw/zinc/54/92/81/1052549281.db2.gz WVWHRIYITGSNNP-CABCVRRESA-N 1 2 348.487 4.156 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658588 1052666074 /nfs/dbraw/zinc/66/60/74/1052666074.db2.gz OKWLJQIYSNXCBS-GJYPPUQNSA-N 1 2 342.458 4.235 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658588 1052666079 /nfs/dbraw/zinc/66/60/79/1052666079.db2.gz OKWLJQIYSNXCBS-GJYPPUQNSA-N 1 2 342.458 4.235 20 10 EICDLO Cn1c2ccc(NCc3ccc(F)c(F)c3O)cc2[nH+]c1C(C)(C)C ZINC000864030447 1053168380 /nfs/dbraw/zinc/16/83/80/1053168380.db2.gz LTQLHQZCAJAJPL-UHFFFAOYSA-N 1 2 345.393 4.467 20 10 EICDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1cscn1 ZINC000850511443 1053271162 /nfs/dbraw/zinc/27/11/62/1053271162.db2.gz FBTRHYVCYFQBEV-YUMQZZPRSA-N 1 2 345.237 4.162 20 10 EICDLO COc1ccnc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)c1F ZINC000850537640 1053301865 /nfs/dbraw/zinc/30/18/65/1053301865.db2.gz WICLXIFTSBFWNH-MRVPVSSYSA-N 1 2 345.201 4.093 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775670457 1053466044 /nfs/dbraw/zinc/46/60/44/1053466044.db2.gz ZHKNVSWIBVLXFO-PKOBYXMFSA-N 1 2 331.843 4.134 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775670457 1053466049 /nfs/dbraw/zinc/46/60/49/1053466049.db2.gz ZHKNVSWIBVLXFO-PKOBYXMFSA-N 1 2 331.843 4.134 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000775679338 1053554624 /nfs/dbraw/zinc/55/46/24/1053554624.db2.gz XSGYTDCWIKPFSA-KRWDZBQOSA-N 1 2 335.806 4.148 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000775679338 1053554628 /nfs/dbraw/zinc/55/46/28/1053554628.db2.gz XSGYTDCWIKPFSA-KRWDZBQOSA-N 1 2 335.806 4.148 20 10 EICDLO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775707665 1053639624 /nfs/dbraw/zinc/63/96/24/1053639624.db2.gz YJEWEIMMKFUQME-GOSISDBHSA-N 1 2 330.859 4.449 20 10 EICDLO CN(C)c1cccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775707665 1053639636 /nfs/dbraw/zinc/63/96/36/1053639636.db2.gz YJEWEIMMKFUQME-GOSISDBHSA-N 1 2 330.859 4.449 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc2c(c1)CCCO2 ZINC000853239756 1053655474 /nfs/dbraw/zinc/65/54/74/1053655474.db2.gz DEIDRSUMAJVNMH-NEPJUHHUSA-N 1 2 333.378 4.407 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715063 1053663203 /nfs/dbraw/zinc/66/32/03/1053663203.db2.gz BGEAEPGAOHNUKA-PXAZEXFGSA-N 1 2 335.806 4.147 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)C[C@@H](c2ccc(F)cc2)O1 ZINC000775715063 1053663210 /nfs/dbraw/zinc/66/32/10/1053663210.db2.gz BGEAEPGAOHNUKA-PXAZEXFGSA-N 1 2 335.806 4.147 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000775717298 1053672191 /nfs/dbraw/zinc/67/21/91/1053672191.db2.gz ARKZTJFLLWZBEO-HNNXBMFYSA-N 1 2 327.827 4.108 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000775717298 1053672195 /nfs/dbraw/zinc/67/21/95/1053672195.db2.gz ARKZTJFLLWZBEO-HNNXBMFYSA-N 1 2 327.827 4.108 20 10 EICDLO O=C(C[C@@H]1CCC[N@H+]1Cc1cccc(Cl)c1O)c1ccccc1 ZINC000775721185 1053682549 /nfs/dbraw/zinc/68/25/49/1053682549.db2.gz SHEGHRUJHPHCCR-INIZCTEOSA-N 1 2 329.827 4.283 20 10 EICDLO O=C(C[C@@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O)c1ccccc1 ZINC000775721185 1053682557 /nfs/dbraw/zinc/68/25/57/1053682557.db2.gz SHEGHRUJHPHCCR-INIZCTEOSA-N 1 2 329.827 4.283 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc2c1CCOC2)c1cccc(Cl)c1O ZINC000866478160 1053744135 /nfs/dbraw/zinc/74/41/35/1053744135.db2.gz FWEHDVULXZXNFP-GOSISDBHSA-N 1 2 331.843 4.359 20 10 EICDLO CCOc1cccc(C[N@@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000765672817 1053837331 /nfs/dbraw/zinc/83/73/31/1053837331.db2.gz SJBYGHMQJVFQIA-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCOc1cccc(C[N@H+]2Cc3ccc(Br)cc3C2)c1O ZINC000765672817 1053837334 /nfs/dbraw/zinc/83/73/34/1053837334.db2.gz SJBYGHMQJVFQIA-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO c1csc([C@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000921625533 1054178953 /nfs/dbraw/zinc/17/89/53/1054178953.db2.gz MJXOVNLYMGLBLZ-LJQANCHMSA-N 1 2 336.460 4.347 20 10 EICDLO c1csc([C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)c2ccccc2)n1 ZINC000921625531 1054179779 /nfs/dbraw/zinc/17/97/79/1054179779.db2.gz MJXOVNLYMGLBLZ-IBGZPJMESA-N 1 2 336.460 4.347 20 10 EICDLO C[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1c(F)cccc1F ZINC000858101087 1054416945 /nfs/dbraw/zinc/41/69/45/1054416945.db2.gz YSYNNKQVSVEIEI-JTQLQIEISA-N 1 2 326.337 4.160 20 10 EICDLO CC[C@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc(C)cs1 ZINC000858129401 1054420707 /nfs/dbraw/zinc/42/07/07/1054420707.db2.gz QAONGEMZCVZLAN-AWEZNQCLSA-N 1 2 325.428 4.037 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000776044048 1054512433 /nfs/dbraw/zinc/51/24/33/1054512433.db2.gz ZKCHNXNUSVFFEM-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000776113019 1054551307 /nfs/dbraw/zinc/55/13/07/1054551307.db2.gz LPOJPTIEBSOVNM-UHFFFAOYSA-N 1 2 330.859 4.326 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1COc2ccc(Cl)cc21 ZINC001201372336 1054763936 /nfs/dbraw/zinc/76/39/36/1054763936.db2.gz GYIUMIVMAHHDEE-ZDUSSCGKSA-N 1 2 328.170 4.061 20 10 EICDLO COC(=O)c1nc2c(cccc2Nc2ccc([NH2+]C(C)C)cc2)o1 ZINC001201504982 1054821815 /nfs/dbraw/zinc/82/18/15/1054821815.db2.gz KBTXQPIAPUJDQW-UHFFFAOYSA-N 1 2 325.368 4.178 20 10 EICDLO CN(C)c1ccc(/C=C\CNc2c[nH+]ccc2OC(C)(C)C)cc1 ZINC001201794638 1054906963 /nfs/dbraw/zinc/90/69/63/1054906963.db2.gz DZKFMIGRDJCGLU-SREVYHEPSA-N 1 2 325.456 4.450 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000776252299 1055057198 /nfs/dbraw/zinc/05/71/98/1055057198.db2.gz BDNJUCHZEOOLHY-UHFFFAOYSA-N 1 2 331.843 4.275 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(OC)c1OC ZINC000877708777 1055110089 /nfs/dbraw/zinc/11/00/89/1055110089.db2.gz VZWRHEHWPCJWFC-OAHLLOKOSA-N 1 2 335.831 4.304 20 10 EICDLO C[N@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000877921020 1055153698 /nfs/dbraw/zinc/15/36/98/1055153698.db2.gz AZAADFLJCPUNHX-UHFFFAOYSA-N 1 2 339.483 4.176 20 10 EICDLO C[N@@H+](Cc1nc2c(o1)CCCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000877921020 1055153705 /nfs/dbraw/zinc/15/37/05/1055153705.db2.gz AZAADFLJCPUNHX-UHFFFAOYSA-N 1 2 339.483 4.176 20 10 EICDLO CC(C)n1cc2c(n1)[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CCC2 ZINC000765814216 1055481716 /nfs/dbraw/zinc/48/17/16/1055481716.db2.gz COTYSSQKZCBCDI-BZNIZROVSA-N 1 2 335.398 4.176 20 10 EICDLO C[C@H]([NH2+]Cc1c(O)cccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000742390459 1058589413 /nfs/dbraw/zinc/58/94/13/1058589413.db2.gz HKITVXXUXMWVDX-JTQLQIEISA-N 1 2 347.777 4.086 20 10 EICDLO C[C@@H]([NH2+]Cc1c(O)cccc1Cl)c1nc(-c2cccc(F)c2)no1 ZINC000742390460 1058591144 /nfs/dbraw/zinc/59/11/44/1058591144.db2.gz HKITVXXUXMWVDX-SNVBAGLBSA-N 1 2 347.777 4.086 20 10 EICDLO COc1cc(Cl)c(C[N@@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001142296555 1032289871 /nfs/dbraw/zinc/28/98/71/1032289871.db2.gz HRIKRRFBWQUHGB-UHFFFAOYSA-N 1 2 338.234 4.266 20 10 EICDLO COc1cc(Cl)c(C[N@H+]2CCc3cccc(O)c3C2)c(Cl)c1 ZINC001142296555 1032289889 /nfs/dbraw/zinc/28/98/89/1032289889.db2.gz HRIKRRFBWQUHGB-UHFFFAOYSA-N 1 2 338.234 4.266 20 10 EICDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc(Cl)ccc1Cl)CCC2 ZINC001204568532 1023579410 /nfs/dbraw/zinc/57/94/10/1023579410.db2.gz JQYHGYTXNAXHPW-UHFFFAOYSA-N 1 2 338.234 4.353 20 10 EICDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc(Cl)ccc1Cl)CCC2 ZINC001204568532 1023579418 /nfs/dbraw/zinc/57/94/18/1023579418.db2.gz JQYHGYTXNAXHPW-UHFFFAOYSA-N 1 2 338.234 4.353 20 10 EICDLO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000756731032 1024187555 /nfs/dbraw/zinc/18/75/55/1024187555.db2.gz CLXVZSQRKOHZPO-QMMMGPOBSA-N 1 2 347.283 4.262 20 10 EICDLO CC[C@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162554978 1025153030 /nfs/dbraw/zinc/15/30/30/1025153030.db2.gz UPOOMXAJBVAZPG-PMACEKPBSA-N 1 2 349.482 4.009 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(C(F)(F)F)cs1 ZINC000279479444 1026448875 /nfs/dbraw/zinc/44/88/75/1026448875.db2.gz KQYYTILPTNETHQ-JGVFFNPUSA-N 1 2 334.338 4.418 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)c1nc(C(F)(F)F)cs1 ZINC000279479439 1026448938 /nfs/dbraw/zinc/44/89/38/1026448938.db2.gz KQYYTILPTNETHQ-HTQZYQBOSA-N 1 2 334.338 4.418 20 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UWUZCTGPDDNJRP-QMTHXVAHSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(Br)cc(F)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC001235304202 1045372302 /nfs/dbraw/zinc/37/23/02/1045372302.db2.gz UWUZCTGPDDNJRP-QMTHXVAHSA-N 1 2 328.225 4.058 20 10 EICDLO Cc1c2ccccc2n(C)c1CNC(=O)Nc1c(C)cc(C)[nH+]c1C ZINC000455527498 1045717863 /nfs/dbraw/zinc/71/78/63/1045717863.db2.gz QETYUPVMUABHHM-UHFFFAOYSA-N 1 2 336.439 4.129 20 10 EICDLO C[C@H]1c2ccccc2OCC[N@H+]1Cc1cccc(Br)c1O ZINC000768931955 1045861079 /nfs/dbraw/zinc/86/10/79/1045861079.db2.gz XIJUOQKHEAIXDA-LBPRGKRZSA-N 1 2 348.240 4.110 20 10 EICDLO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Br)c1O ZINC000768931955 1045861082 /nfs/dbraw/zinc/86/10/82/1045861082.db2.gz XIJUOQKHEAIXDA-LBPRGKRZSA-N 1 2 348.240 4.110 20 10 EICDLO Cc1ccccc1-c1nc(C[NH2+]Cc2cc(Cl)cc(C)c2O)no1 ZINC000792175500 1045873796 /nfs/dbraw/zinc/87/37/96/1045873796.db2.gz UHYQVWWBRUTWSH-UHFFFAOYSA-N 1 2 343.814 4.002 20 10 EICDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000769314243 1045916362 /nfs/dbraw/zinc/91/63/62/1045916362.db2.gz WRXJPSSUXCVHDZ-LJQANCHMSA-N 1 2 348.849 4.119 20 10 EICDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000769314243 1045916354 /nfs/dbraw/zinc/91/63/54/1045916354.db2.gz WRXJPSSUXCVHDZ-LJQANCHMSA-N 1 2 348.849 4.119 20 10 EICDLO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769548583 1046017819 /nfs/dbraw/zinc/01/78/19/1046017819.db2.gz IKSKZAGGJIBRKM-CHWSQXEVSA-N 1 2 344.318 4.261 20 10 EICDLO CCS[C@@H]1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2O)C1 ZINC000769548583 1046017837 /nfs/dbraw/zinc/01/78/37/1046017837.db2.gz IKSKZAGGJIBRKM-CHWSQXEVSA-N 1 2 344.318 4.261 20 10 EICDLO C[C@]12CC[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]1C2(Cl)Cl ZINC000793609490 1046310179 /nfs/dbraw/zinc/31/01/79/1046310179.db2.gz BQHAPWMKMCHPGA-YPMHNXCESA-N 1 2 338.637 4.200 20 10 EICDLO C[C@]12CC[N@@H+](Cc3cc(Cl)cc(F)c3O)C[C@H]1C2(Cl)Cl ZINC000793609490 1046310195 /nfs/dbraw/zinc/31/01/95/1046310195.db2.gz BQHAPWMKMCHPGA-YPMHNXCESA-N 1 2 338.637 4.200 20 10 EICDLO Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000785573707 1046723852 /nfs/dbraw/zinc/72/38/52/1046723852.db2.gz SYGCLTJLWUTQSM-TYILLQQXSA-N 1 2 348.437 4.321 20 10 EICDLO Cc1ccccc1[C@@H]([C@@H](C)[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000785989621 1046799664 /nfs/dbraw/zinc/79/96/64/1046799664.db2.gz VWDMOESDZSFRDO-RDTXWAMCSA-N 1 2 332.875 4.135 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@H]2c2cccs2)c1O ZINC000805840920 1047030608 /nfs/dbraw/zinc/03/06/08/1047030608.db2.gz XWYJTHYWUTUFBO-QGZVFWFLSA-N 1 2 333.428 4.379 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@H]2c2cccs2)c1O ZINC000805840920 1047030614 /nfs/dbraw/zinc/03/06/14/1047030614.db2.gz XWYJTHYWUTUFBO-QGZVFWFLSA-N 1 2 333.428 4.379 20 10 EICDLO C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000788259668 1047147102 /nfs/dbraw/zinc/14/71/02/1047147102.db2.gz OKSPIQQFKVIYAB-SNVBAGLBSA-N 1 2 343.320 4.165 20 10 EICDLO CC[C@H]([NH2+]Cc1cccnc1OC(C)C)c1cccc(Cl)c1O ZINC000806130632 1047155410 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CC[C@H]([NH2+][C@H](CCO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806164355 1047187971 /nfs/dbraw/zinc/18/79/71/1047187971.db2.gz QZCLPOYNQBROTE-QAPCUYQASA-N 1 2 333.859 4.080 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1O ZINC000806164676 1047188054 /nfs/dbraw/zinc/18/80/54/1047188054.db2.gz ANNWSHRXPYSAHP-ZWKOTPCHSA-N 1 2 333.859 4.437 20 10 EICDLO CSC1(C[NH2+][C@H](C)c2cc(Br)c(F)cc2O)CCC1 ZINC000788607497 1047231753 /nfs/dbraw/zinc/23/17/53/1047231753.db2.gz VBTWMGPOMSHXLY-SECBINFHSA-N 1 2 348.281 4.230 20 10 EICDLO Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3O)[nH]c2c1 ZINC000788606933 1047245647 /nfs/dbraw/zinc/24/56/47/1047245647.db2.gz BDRIOFBZQVXOFE-NSHDSACASA-N 1 2 349.356 4.447 20 10 EICDLO Cc1ccc2[nH]c(C[NH2+][C@@H](C)c3cccc(C(F)(F)F)c3O)nc2c1 ZINC000788606933 1047245640 /nfs/dbraw/zinc/24/56/40/1047245640.db2.gz BDRIOFBZQVXOFE-NSHDSACASA-N 1 2 349.356 4.447 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1cncs1 ZINC000897929918 1047510861 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1052084823 /nfs/dbraw/zinc/08/48/23/1052084823.db2.gz GBRLSJJUWHXFLJ-UHFFFAOYSA-N 1 2 345.512 4.082 20 10 EICDLO O=C(c1ccncc1)c1ccccc1Nc1ccc[nH+]c1N1CCCC1 ZINC001185042331 1052158435 /nfs/dbraw/zinc/15/84/35/1052158435.db2.gz FOGOIERDXWQVLG-UHFFFAOYSA-N 1 2 344.418 4.051 20 10 EICDLO Oc1ccc(C2=CC[N@H+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775644819 1053333050 /nfs/dbraw/zinc/33/30/50/1053333050.db2.gz QOUIOIHDCBXHKO-UHFFFAOYSA-N 1 2 333.790 4.180 20 10 EICDLO Oc1ccc(C2=CC[N@@H+](Cc3cc(Cl)cc(F)c3O)CC2)cc1 ZINC000775644819 1053333061 /nfs/dbraw/zinc/33/30/61/1053333061.db2.gz QOUIOIHDCBXHKO-UHFFFAOYSA-N 1 2 333.790 4.180 20 10 EICDLO COc1ccc(OC2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775650178 1053382549 /nfs/dbraw/zinc/38/25/49/1053382549.db2.gz RAZRIPYEMCJZDM-UHFFFAOYSA-N 1 2 347.842 4.098 20 10 EICDLO COc1ccc(OC)c(C[N@@H+](Cc2cccc(Cl)c2O)C2CC2)c1 ZINC000775653019 1053397002 /nfs/dbraw/zinc/39/70/02/1053397002.db2.gz ZYOOVVACDWRSNQ-UHFFFAOYSA-N 1 2 347.842 4.227 20 10 EICDLO CCC[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)C(=O)Nc1ccccc1 ZINC000775668280 1053458360 /nfs/dbraw/zinc/45/83/60/1053458360.db2.gz VXHNPLJHMOSKMD-AWEZNQCLSA-N 1 2 346.858 4.285 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000775721284 1053684120 /nfs/dbraw/zinc/68/41/20/1053684120.db2.gz VOMDRFIAFGEEKE-HNNXBMFYSA-N 1 2 349.833 4.223 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000775721284 1053684125 /nfs/dbraw/zinc/68/41/25/1053684125.db2.gz VOMDRFIAFGEEKE-HNNXBMFYSA-N 1 2 349.833 4.223 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000775738067 1053733469 /nfs/dbraw/zinc/73/34/69/1053733469.db2.gz YUEXOEPZPQSCIB-UHFFFAOYSA-N 1 2 325.733 4.349 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000775738067 1053733450 /nfs/dbraw/zinc/73/34/50/1053733450.db2.gz YUEXOEPZPQSCIB-UHFFFAOYSA-N 1 2 325.733 4.349 20 10 EICDLO C[C@H]([NH2+]C1CCC(OC(C)(C)C)CC1)c1cc(F)cc(F)c1O ZINC000866449923 1053735763 /nfs/dbraw/zinc/73/57/63/1053735763.db2.gz AAJZTTMGRURIBG-XGNXJENSSA-N 1 2 327.415 4.447 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000775737552 1053736898 /nfs/dbraw/zinc/73/68/98/1053736898.db2.gz PNDAVYCHIIPLHF-QGZVFWFLSA-N 1 2 349.833 4.018 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000775737552 1053736912 /nfs/dbraw/zinc/73/69/12/1053736912.db2.gz PNDAVYCHIIPLHF-QGZVFWFLSA-N 1 2 349.833 4.018 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](F)(c3ccccc3)C2)c1O ZINC001197078181 1053834159 /nfs/dbraw/zinc/83/41/59/1053834159.db2.gz SFWGIXIUERSJSX-FQEVSTJZSA-N 1 2 345.389 4.195 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@](F)(c3ccccc3)C2)c1O ZINC001197078181 1053834160 /nfs/dbraw/zinc/83/41/60/1053834160.db2.gz SFWGIXIUERSJSX-FQEVSTJZSA-N 1 2 345.389 4.195 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014467 1054438983 /nfs/dbraw/zinc/43/89/83/1054438983.db2.gz RWTWACPWQSLWBF-KCJUWKMLSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014467 1054438990 /nfs/dbraw/zinc/43/89/90/1054438990.db2.gz RWTWACPWQSLWBF-KCJUWKMLSA-N 1 2 325.733 4.348 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014808 1054439221 /nfs/dbraw/zinc/43/92/21/1054439221.db2.gz QPBBAZPCJGXCOT-LJQANCHMSA-N 1 2 329.827 4.067 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014808 1054439230 /nfs/dbraw/zinc/43/92/30/1054439230.db2.gz QPBBAZPCJGXCOT-LJQANCHMSA-N 1 2 329.827 4.067 20 10 EICDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccns1 ZINC000858578014 1054524495 /nfs/dbraw/zinc/52/44/95/1054524495.db2.gz STAOKKUEMJLSQO-YUMQZZPRSA-N 1 2 345.237 4.162 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(C3=NNC(=O)C[C@@H]3C)cc2)cc1 ZINC001201498097 1054820305 /nfs/dbraw/zinc/82/03/05/1054820305.db2.gz RNUZDHURMDZYQY-AWEZNQCLSA-N 1 2 336.439 4.111 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C/C=C\c1ccccc1 ZINC001201695604 1054879198 /nfs/dbraw/zinc/87/91/98/1054879198.db2.gz ZXPFEHBTQDOFFT-DAXSKMNVSA-N 1 2 336.204 4.097 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1c(F)cccc1Cl ZINC000776221267 1054938665 /nfs/dbraw/zinc/93/86/65/1054938665.db2.gz UMQCCAORRTVSND-VFZGTOFNSA-N 1 2 344.213 4.050 20 10 EICDLO CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776255473 1055090770 /nfs/dbraw/zinc/09/07/70/1055090770.db2.gz YMKOIZYVAPXHAW-BTDLBPIBSA-N 1 2 341.785 4.190 20 10 EICDLO CO[C@@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776255472 1055091355 /nfs/dbraw/zinc/09/13/55/1055091355.db2.gz YMKOIZYVAPXHAW-BMLIUANNSA-N 1 2 341.785 4.190 20 10 EICDLO Cc1ccc(CC[C@@H](C)[NH2+]Cc2cccc(Br)c2O)o1 ZINC000742379733 1058604827 /nfs/dbraw/zinc/60/48/27/1058604827.db2.gz GRKQWFABGMAVBK-LLVKDONJSA-N 1 2 338.245 4.167 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000180169393 1032596550 /nfs/dbraw/zinc/59/65/50/1032596550.db2.gz ZVJKTGOPAXBLGK-GOSISDBHSA-N 1 2 349.833 4.130 20 10 EICDLO CC[C@H]([NH2+][C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555183 1025151907 /nfs/dbraw/zinc/15/19/07/1025151907.db2.gz UPOOMXAJBVAZPG-VQTJNVASSA-N 1 2 349.482 4.009 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1noc(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000124313242 1028223373 /nfs/dbraw/zinc/22/33/73/1028223373.db2.gz NOAMQQLQKRNWFF-CABCVRRESA-N 1 2 336.439 4.214 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000182198871 1029952182 /nfs/dbraw/zinc/95/21/82/1029952182.db2.gz QFFRCRHFSPQFIE-UHFFFAOYSA-N 1 2 346.789 4.172 20 10 EICDLO C[C@@H]([NH2+][C@H](c1nccs1)c1ccccc1)c1ccc(F)cc1O ZINC000185234981 1030132945 /nfs/dbraw/zinc/13/29/45/1030132945.db2.gz HGVOSEMQPNKVAX-PXAZEXFGSA-N 1 2 328.412 4.428 20 10 EICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc(C)cc(C)c2O)cs1 ZINC000164413779 1036137556 /nfs/dbraw/zinc/13/75/56/1036137556.db2.gz VQSWMBCKXYPKRH-CQSZACIVSA-N 1 2 334.485 4.195 20 10 EICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc(C)cc(C)c2O)cs1 ZINC000164413779 1036137591 /nfs/dbraw/zinc/13/75/91/1036137591.db2.gz VQSWMBCKXYPKRH-CQSZACIVSA-N 1 2 334.485 4.195 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273543158 1037500974 /nfs/dbraw/zinc/50/09/74/1037500974.db2.gz XJWQRVPFQPUZIR-NVXWUHKLSA-N 1 2 335.806 4.195 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1nc(C2CCCCC2)no1 ZINC000173866091 1038746119 /nfs/dbraw/zinc/74/61/19/1038746119.db2.gz SMWVIKBACMXJLE-LLVKDONJSA-N 1 2 335.835 4.327 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC2CCC1CC2 ZINC000715767941 1044124768 /nfs/dbraw/zinc/12/47/68/1044124768.db2.gz ADLHMQNRNZBOEO-MCIGGMRASA-N 1 2 342.252 4.210 20 10 EICDLO CC(C)c1cnc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000733611374 1044269217 /nfs/dbraw/zinc/26/92/17/1044269217.db2.gz VOUQNHCTNHLOFI-UHFFFAOYSA-N 1 2 327.472 4.420 20 10 EICDLO CC(C)c1cnc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)o1 ZINC000733611374 1044269233 /nfs/dbraw/zinc/26/92/33/1044269233.db2.gz VOUQNHCTNHLOFI-UHFFFAOYSA-N 1 2 327.472 4.420 20 10 EICDLO CC[N@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N(C)C)cc1 ZINC001141766715 1044588859 /nfs/dbraw/zinc/58/88/59/1044588859.db2.gz CISLZXPYWHXLGC-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO CC[N@@H+](Cc1nc(C(F)(F)F)cs1)Cc1ccc(N(C)C)cc1 ZINC001141766715 1044588875 /nfs/dbraw/zinc/58/88/75/1044588875.db2.gz CISLZXPYWHXLGC-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO Oc1c(Br)cccc1C[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000922846087 1044992392 /nfs/dbraw/zinc/99/23/92/1044992392.db2.gz SHOSBVWLSGOIHH-GFCCVEGCSA-N 1 2 342.302 4.063 20 10 EICDLO CN(C)c1ccc(C[NH+](Cc2ccco2)Cc2ccco2)cc1F ZINC000768190836 1045748309 /nfs/dbraw/zinc/74/83/09/1045748309.db2.gz BHRBBWPWMLCFMB-UHFFFAOYSA-N 1 2 328.387 4.280 20 10 EICDLO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000768273448 1045775589 /nfs/dbraw/zinc/77/55/89/1045775589.db2.gz ZQWJLRPDOJAPCE-RNFRBKRXSA-N 1 2 344.146 4.285 20 10 EICDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768373401 1045801783 /nfs/dbraw/zinc/80/17/83/1045801783.db2.gz FAIMZEKZLLIUDP-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768373401 1045801780 /nfs/dbraw/zinc/80/17/80/1045801780.db2.gz FAIMZEKZLLIUDP-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO Cc1cc([C@@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)ccc1F ZINC000769481816 1045965906 /nfs/dbraw/zinc/96/59/06/1045965906.db2.gz VYIDTYBRMQRRQN-SFHVURJKSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc([C@@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)ccc1F ZINC000769481816 1045965933 /nfs/dbraw/zinc/96/59/33/1045965933.db2.gz VYIDTYBRMQRRQN-SFHVURJKSA-N 1 2 335.806 4.067 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](c1ccccc1)N(C)C ZINC000769989456 1046123816 /nfs/dbraw/zinc/12/38/16/1046123816.db2.gz NBNHRFSBUVOUHY-VEVIJQCQSA-N 1 2 334.410 4.012 20 10 EICDLO COCCC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(Cl)c1O ZINC000793232271 1046179403 /nfs/dbraw/zinc/17/94/03/1046179403.db2.gz KYUKKNLUGIJGEW-KRWDZBQOSA-N 1 2 333.859 4.173 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(CC(F)(F)F)CC1 ZINC000793619090 1046314664 /nfs/dbraw/zinc/31/46/64/1046314664.db2.gz DRYKDFKSLUGVKW-UHFFFAOYSA-N 1 2 325.733 4.349 20 10 EICDLO CC1(C)[C@@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787416440 1047004181 /nfs/dbraw/zinc/00/41/81/1047004181.db2.gz FSOGYQONNDEQOU-NSHDSACASA-N 1 2 325.733 4.348 20 10 EICDLO CC1(C)[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787416440 1047004168 /nfs/dbraw/zinc/00/41/68/1047004168.db2.gz FSOGYQONNDEQOU-NSHDSACASA-N 1 2 325.733 4.348 20 10 EICDLO CC[C@H]([NH2+]CCOc1ccccc1OC)c1cccc(Cl)c1O ZINC000806129413 1047153205 /nfs/dbraw/zinc/15/32/05/1047153205.db2.gz VXFLKEGJEWSIFH-HNNXBMFYSA-N 1 2 335.831 4.174 20 10 EICDLO CC[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)c1cccc(Cl)c1O ZINC000806132082 1047155793 /nfs/dbraw/zinc/15/57/93/1047155793.db2.gz QWBGPYZPVRNLLV-KRWDZBQOSA-N 1 2 332.831 4.245 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1O ZINC000806141042 1047165070 /nfs/dbraw/zinc/16/50/70/1047165070.db2.gz PFSGRZYTHLZPMD-NVXWUHKLSA-N 1 2 331.847 4.262 20 10 EICDLO CC[C@@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cccc(Cl)c1O ZINC000806140709 1047166601 /nfs/dbraw/zinc/16/66/01/1047166601.db2.gz BDXQGWNYWRPHQR-CQSZACIVSA-N 1 2 329.831 4.471 20 10 EICDLO CC[C@@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1cccc(Cl)c1O ZINC000806140709 1047166606 /nfs/dbraw/zinc/16/66/06/1047166606.db2.gz BDXQGWNYWRPHQR-CQSZACIVSA-N 1 2 329.831 4.471 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cccc(Cl)c1O ZINC000806147878 1047173636 /nfs/dbraw/zinc/17/36/36/1047173636.db2.gz NVMMCLXAKALTPH-ZHRRBRCNSA-N 1 2 337.872 4.024 20 10 EICDLO CC[C@@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1O ZINC000806160740 1047183788 /nfs/dbraw/zinc/18/37/88/1047183788.db2.gz JYMYMYIDGFNFQE-MRXNPFEDSA-N 1 2 344.842 4.258 20 10 EICDLO CCc1ccc([C@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2O)cc1 ZINC000806165158 1047188244 /nfs/dbraw/zinc/18/82/44/1047188244.db2.gz DESFZBOSFZSSLA-ZWKOTPCHSA-N 1 2 333.859 4.382 20 10 EICDLO CC[C@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806164356 1047188410 /nfs/dbraw/zinc/18/84/10/1047188410.db2.gz QZCLPOYNQBROTE-YJBOKZPZSA-N 1 2 333.859 4.080 20 10 EICDLO CC(C)SCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000806168062 1047190808 /nfs/dbraw/zinc/19/08/08/1047190808.db2.gz VIDGGXGNOKWOTM-VIFPVBQESA-N 1 2 336.270 4.086 20 10 EICDLO CC(C)SCC[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000806167770 1047191478 /nfs/dbraw/zinc/19/14/78/1047191478.db2.gz JIOFDLJOULIHEM-VIFPVBQESA-N 1 2 336.270 4.086 20 10 EICDLO CC(C)c1nnc([C@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788690088 1047262846 /nfs/dbraw/zinc/26/28/46/1047262846.db2.gz WBYXPNIEPKKLII-UWVGGRQHSA-N 1 2 342.365 4.064 20 10 EICDLO Cc1cc(C[N@H+](Cc2ccccc2)Cc2cc(F)c(F)cc2O)on1 ZINC001142527152 1047524038 /nfs/dbraw/zinc/52/40/38/1047524038.db2.gz MGNAQCWBPHLXRD-UHFFFAOYSA-N 1 2 344.361 4.169 20 10 EICDLO Cc1cc(C[N@@H+](Cc2ccccc2)Cc2cc(F)c(F)cc2O)on1 ZINC001142527152 1047524057 /nfs/dbraw/zinc/52/40/57/1047524057.db2.gz MGNAQCWBPHLXRD-UHFFFAOYSA-N 1 2 344.361 4.169 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001142527277 1047526482 /nfs/dbraw/zinc/52/64/82/1047526482.db2.gz RBHSZPGKBMYOLQ-MRXNPFEDSA-N 1 2 325.305 4.286 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@@H]1c1ccc(F)cc1F ZINC001142527277 1047526499 /nfs/dbraw/zinc/52/64/99/1047526499.db2.gz RBHSZPGKBMYOLQ-MRXNPFEDSA-N 1 2 325.305 4.286 20 10 EICDLO Cn1cc(C[NH2+]Cc2cccc(Cl)c2O)c(C2CCCCC2)n1 ZINC000898218231 1047569695 /nfs/dbraw/zinc/56/96/95/1047569695.db2.gz BDEHTUQCPCGVHY-UHFFFAOYSA-N 1 2 333.863 4.117 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698574 1048459319 /nfs/dbraw/zinc/45/93/19/1048459319.db2.gz CSYZDCGSKXZIFJ-LMMKCTJWSA-N 1 2 343.854 4.050 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000809698574 1048459326 /nfs/dbraw/zinc/45/93/26/1048459326.db2.gz CSYZDCGSKXZIFJ-LMMKCTJWSA-N 1 2 343.854 4.050 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809768602 1048503145 /nfs/dbraw/zinc/50/31/45/1048503145.db2.gz QCBQMUFEJOFJNV-HNNXBMFYSA-N 1 2 341.842 4.060 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000809768602 1048503161 /nfs/dbraw/zinc/50/31/61/1048503161.db2.gz QCBQMUFEJOFJNV-HNNXBMFYSA-N 1 2 341.842 4.060 20 10 EICDLO CC(C)OC(=O)C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccccc1 ZINC000809763554 1048524835 /nfs/dbraw/zinc/52/48/35/1048524835.db2.gz OUFAIUKZZOPEGK-KRWDZBQOSA-N 1 2 347.842 4.218 20 10 EICDLO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc(Cl)c(F)cc1O ZINC000816482564 1048812197 /nfs/dbraw/zinc/81/21/97/1048812197.db2.gz KOWUQDSPZQZMHN-UHFFFAOYSA-N 1 2 345.805 4.002 20 10 EICDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@@H]1c1ccncc1 ZINC000816621898 1048845576 /nfs/dbraw/zinc/84/55/76/1048845576.db2.gz RKTDMLIVGINUNU-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)[C@@H]1c1ccncc1 ZINC000816621898 1048845581 /nfs/dbraw/zinc/84/55/81/1048845581.db2.gz RKTDMLIVGINUNU-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO C[C@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955392 1049066404 /nfs/dbraw/zinc/06/64/04/1049066404.db2.gz XNQGBUAWOQAUGQ-IINYFYTJSA-N 1 2 325.239 4.050 20 10 EICDLO CC(C)[C@@H](CNCc1c(O)ccc(Cl)c1F)[NH+]1CCC(C)CC1 ZINC001177256430 1050174676 /nfs/dbraw/zinc/17/46/76/1050174676.db2.gz FZKRPIYLURFJCZ-MRXNPFEDSA-N 1 2 342.886 4.031 20 10 EICDLO CC[C@@H](Cc1cccs1)[NH2+]Cc1cccc(Br)c1O ZINC000775147521 1050631609 /nfs/dbraw/zinc/63/16/09/1050631609.db2.gz UWLPHSZPGIMKON-LBPRGKRZSA-N 1 2 340.286 4.327 20 10 EICDLO C[C@@H](CSC(C)(C)C)[NH2+]Cc1cccc(Br)c1O ZINC000775151553 1050642243 /nfs/dbraw/zinc/64/22/43/1050642243.db2.gz HUKXAIAEMNCJJB-JTQLQIEISA-N 1 2 332.307 4.165 20 10 EICDLO CC1(C)CCc2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc2O1 ZINC001179772130 1050767728 /nfs/dbraw/zinc/76/77/28/1050767728.db2.gz WPDFASRMNIFKMM-UHFFFAOYSA-N 1 2 331.843 4.439 20 10 EICDLO COCC[N@H+](CCCc1ccccc1)Cc1cccc(Cl)c1O ZINC001180031273 1050860857 /nfs/dbraw/zinc/86/08/57/1050860857.db2.gz XACWJPAOPPQDPL-UHFFFAOYSA-N 1 2 333.859 4.127 20 10 EICDLO COCC[N@@H+](CCCc1ccccc1)Cc1cccc(Cl)c1O ZINC001180031273 1050860866 /nfs/dbraw/zinc/86/08/66/1050860866.db2.gz XACWJPAOPPQDPL-UHFFFAOYSA-N 1 2 333.859 4.127 20 10 EICDLO CC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180174968 1050895456 /nfs/dbraw/zinc/89/54/56/1050895456.db2.gz QBDSOCXJIHZVHR-VQIMIIECSA-N 1 2 342.458 4.189 20 10 EICDLO CC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC001180174968 1050895459 /nfs/dbraw/zinc/89/54/59/1050895459.db2.gz QBDSOCXJIHZVHR-VQIMIIECSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001180174968 1050895463 /nfs/dbraw/zinc/89/54/63/1050895463.db2.gz QBDSOCXJIHZVHR-VQIMIIECSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001180174968 1050895471 /nfs/dbraw/zinc/89/54/71/1050895471.db2.gz QBDSOCXJIHZVHR-VQIMIIECSA-N 1 2 342.458 4.189 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491576 1051589453 /nfs/dbraw/zinc/58/94/53/1051589453.db2.gz FEYPPBXHCHVABG-GWCFXTLKSA-N 1 2 328.243 4.025 20 10 EICDLO Oc1c(C[N@@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045663 1051768906 /nfs/dbraw/zinc/76/89/06/1051768906.db2.gz MCNGYDSJYSBZLY-LBPRGKRZSA-N 1 2 339.332 4.328 20 10 EICDLO Oc1c(C[N@H+]2CCC[C@H](c3ccc(F)c(F)c3)C2)ccc(F)c1F ZINC001183045663 1051768916 /nfs/dbraw/zinc/76/89/16/1051768916.db2.gz MCNGYDSJYSBZLY-LBPRGKRZSA-N 1 2 339.332 4.328 20 10 EICDLO Cc1cnc(C2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)s1 ZINC000763672769 1051900840 /nfs/dbraw/zinc/90/08/40/1051900840.db2.gz BGXAQVOQEJERPI-UHFFFAOYSA-N 1 2 340.851 4.329 20 10 EICDLO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(Cl)c2O)CN(Cc2ccccc2)C1 ZINC001184265911 1051979964 /nfs/dbraw/zinc/97/99/64/1051979964.db2.gz WPRQPNVDVASMLG-CRAIPNDOSA-N 1 2 344.886 4.046 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245520 1052550184 /nfs/dbraw/zinc/55/01/84/1052550184.db2.gz WVWHRIYITGSNNP-HUUCEWRRSA-N 1 2 348.487 4.156 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245520 1052550190 /nfs/dbraw/zinc/55/01/90/1052550190.db2.gz WVWHRIYITGSNNP-HUUCEWRRSA-N 1 2 348.487 4.156 20 10 EICDLO CC[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1O ZINC000850485999 1053257114 /nfs/dbraw/zinc/25/71/14/1053257114.db2.gz PYIVDTMUYDIBCH-GFCCVEGCSA-N 1 2 345.752 4.095 20 10 EICDLO CCSC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000850551308 1053307373 /nfs/dbraw/zinc/30/73/73/1053307373.db2.gz GSLQMSIGYLQLRR-SECBINFHSA-N 1 2 348.281 4.230 20 10 EICDLO COc1cccc(C2([NH2+][C@H](C)c3cc(F)cc(F)c3O)CCC2)c1 ZINC000850565983 1053320393 /nfs/dbraw/zinc/32/03/93/1053320393.db2.gz IVWPCPJTJGLTQS-GFCCVEGCSA-N 1 2 333.378 4.409 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000775647586 1053342934 /nfs/dbraw/zinc/34/29/34/1053342934.db2.gz YRGMKBMLORQTKJ-INIZCTEOSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000775647586 1053342948 /nfs/dbraw/zinc/34/29/48/1053342948.db2.gz YRGMKBMLORQTKJ-INIZCTEOSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775670455 1053467097 /nfs/dbraw/zinc/46/70/97/1053467097.db2.gz ZHKNVSWIBVLXFO-IEBWSBKVSA-N 1 2 331.843 4.134 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000775670455 1053467099 /nfs/dbraw/zinc/46/70/99/1053467099.db2.gz ZHKNVSWIBVLXFO-IEBWSBKVSA-N 1 2 331.843 4.134 20 10 EICDLO CCOc1ccc([N@H+](CC)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851829304 1053523723 /nfs/dbraw/zinc/52/37/23/1053523723.db2.gz HJDOCFDZEUFRGT-QGZVFWFLSA-N 1 2 346.515 4.196 20 10 EICDLO CCOc1ccc([N@@H+](CC)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851829304 1053523731 /nfs/dbraw/zinc/52/37/31/1053523731.db2.gz HJDOCFDZEUFRGT-QGZVFWFLSA-N 1 2 346.515 4.196 20 10 EICDLO Cc1nc2c(s1)[C@H]([N@H+](C)Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000775696053 1053612284 /nfs/dbraw/zinc/61/22/84/1053612284.db2.gz VRTKBMFWBCQDEU-CQSZACIVSA-N 1 2 340.851 4.459 20 10 EICDLO Cc1nc2c(s1)[C@H]([N@@H+](C)Cc1cc(Cl)cc(F)c1O)CCC2 ZINC000775696053 1053612288 /nfs/dbraw/zinc/61/22/88/1053612288.db2.gz VRTKBMFWBCQDEU-CQSZACIVSA-N 1 2 340.851 4.459 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000775721286 1053685150 /nfs/dbraw/zinc/68/51/50/1053685150.db2.gz VOMDRFIAFGEEKE-OAHLLOKOSA-N 1 2 349.833 4.223 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000775721286 1053685161 /nfs/dbraw/zinc/68/51/61/1053685161.db2.gz VOMDRFIAFGEEKE-OAHLLOKOSA-N 1 2 349.833 4.223 20 10 EICDLO OCCC[N@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCc2ccccc21 ZINC000775724746 1053698830 /nfs/dbraw/zinc/69/88/30/1053698830.db2.gz KAUBEXQBTDLBDV-LJQANCHMSA-N 1 2 345.870 4.308 20 10 EICDLO OCCC[N@@H+](Cc1cccc(Cl)c1O)[C@@H]1CCCc2ccccc21 ZINC000775724746 1053698836 /nfs/dbraw/zinc/69/88/36/1053698836.db2.gz KAUBEXQBTDLBDV-LJQANCHMSA-N 1 2 345.870 4.308 20 10 EICDLO C[C@@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000866543473 1053777411 /nfs/dbraw/zinc/77/74/11/1053777411.db2.gz RDILQAOBADGQPF-MRVPVSSYSA-N 1 2 329.334 4.007 20 10 EICDLO CCc1nc([C@H](C)[NH2+]Cc2c(O)cccc2Br)cs1 ZINC000858134179 1054421238 /nfs/dbraw/zinc/42/12/38/1054421238.db2.gz LJGCEOSVSPGSNE-VIFPVBQESA-N 1 2 341.274 4.024 20 10 EICDLO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776217970 1054933543 /nfs/dbraw/zinc/93/35/43/1054933543.db2.gz CWBQICRBCYSSGD-UHFFFAOYSA-N 1 2 345.842 4.176 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@H](O)c1c(F)cccc1Cl ZINC000776221263 1054937880 /nfs/dbraw/zinc/93/78/80/1054937880.db2.gz UMQCCAORRTVSND-PSLIRLAXSA-N 1 2 344.213 4.050 20 10 EICDLO Cc1ccc(-c2nc(C[NH2+]Cc3cccc(Cl)c3O)co2)cc1 ZINC000776221314 1054938335 /nfs/dbraw/zinc/93/83/35/1054938335.db2.gz UVVFZPLSVVIQIY-UHFFFAOYSA-N 1 2 328.799 4.299 20 10 EICDLO CC1(C)C[N@H+](Cc2c(O)cccc2Br)[C@H]1c1cccnc1 ZINC000862373258 1055058281 /nfs/dbraw/zinc/05/82/81/1055058281.db2.gz CTZCNCOKJAIPLD-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)[C@H]1c1cccnc1 ZINC000862373258 1055058296 /nfs/dbraw/zinc/05/82/96/1055058296.db2.gz CTZCNCOKJAIPLD-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000776256978 1055093268 /nfs/dbraw/zinc/09/32/68/1055093268.db2.gz UWXZALIEKZJYCC-DYVFJYSZSA-N 1 2 335.806 4.052 20 10 EICDLO C[C@H](c1ccccc1)[N@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000119280186 1055145053 /nfs/dbraw/zinc/14/50/53/1055145053.db2.gz WRPBOTOFTALLBT-OAHLLOKOSA-N 1 2 349.434 4.416 20 10 EICDLO C[C@H](c1ccccc1)[N@@H+](Cc1nnc(C2CC2)o1)Cc1ccccc1O ZINC000119280186 1055145063 /nfs/dbraw/zinc/14/50/63/1055145063.db2.gz WRPBOTOFTALLBT-OAHLLOKOSA-N 1 2 349.434 4.416 20 10 EICDLO COCc1ccccc1C[NH2+]Cc1cc(Cl)cc(Cl)c1O ZINC000037762689 523103906 /nfs/dbraw/zinc/10/39/06/523103906.db2.gz XOKUWUACMCQCNS-UHFFFAOYSA-N 1 2 326.223 4.135 20 10 EICDLO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000278812728 1023483582 /nfs/dbraw/zinc/48/35/82/1023483582.db2.gz RZTKPCRMBBCFKF-NKWVEPMBSA-N 1 2 332.256 4.271 20 10 EICDLO CCN(C)c1ccc([C@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162498621 1025147414 /nfs/dbraw/zinc/14/74/14/1025147414.db2.gz KSEGXMKDHWHSOS-YWZLYKJASA-N 1 2 349.482 4.009 20 10 EICDLO COc1ccccc1[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000151115292 1025265128 /nfs/dbraw/zinc/26/51/28/1025265128.db2.gz KUFAFXNOTBIIMN-NRFANRHFSA-N 1 2 336.435 4.233 20 10 EICDLO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000708074805 1026840430 /nfs/dbraw/zinc/84/04/30/1026840430.db2.gz GPHVAZXOTPYFLB-OPRDCNLKSA-N 1 2 332.669 4.284 20 10 EICDLO C[C@H]1[C@@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C[C@H]1C ZINC000708074805 1026840434 /nfs/dbraw/zinc/84/04/34/1026840434.db2.gz GPHVAZXOTPYFLB-OPRDCNLKSA-N 1 2 332.669 4.284 20 10 EICDLO CC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132603 1027405089 /nfs/dbraw/zinc/40/50/89/1027405089.db2.gz FFGZREGSNNTZGP-JTQLQIEISA-N 1 2 332.669 4.430 20 10 EICDLO CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132603 1027405098 /nfs/dbraw/zinc/40/50/98/1027405098.db2.gz FFGZREGSNNTZGP-JTQLQIEISA-N 1 2 332.669 4.430 20 10 EICDLO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Cl)c(Cl)cc1O ZINC000840892395 1027580927 /nfs/dbraw/zinc/58/09/27/1027580927.db2.gz ZGVZFAGHDDDFCJ-ZETCQYMHSA-N 1 2 344.267 4.279 20 10 EICDLO CO[C@H](c1ccccc1F)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000761216168 1036155131 /nfs/dbraw/zinc/15/51/31/1036155131.db2.gz MQZCHLFUSAREHF-BTDLBPIBSA-N 1 2 341.785 4.190 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1nc2ccccc2n1C1CC1 ZINC000761226395 1036279343 /nfs/dbraw/zinc/27/93/43/1036279343.db2.gz QUEPLQOKTMRBNR-UHFFFAOYSA-N 1 2 345.805 4.159 20 10 EICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc3c(cc2O)CCC3)cs1 ZINC000173370110 1038295486 /nfs/dbraw/zinc/29/54/86/1038295486.db2.gz NWIZSQMHJQOTNP-CYBMUJFWSA-N 1 2 346.496 4.067 20 10 EICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc3c(cc2O)CCC3)cs1 ZINC000173370110 1038295505 /nfs/dbraw/zinc/29/55/05/1038295505.db2.gz NWIZSQMHJQOTNP-CYBMUJFWSA-N 1 2 346.496 4.067 20 10 EICDLO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)cc(Cl)c1O ZINC000760041257 1042928844 /nfs/dbraw/zinc/92/88/44/1042928844.db2.gz XIKNKDMXJLRKJZ-ZCFIWIBFSA-N 1 2 340.595 4.256 20 10 EICDLO CC[C@@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715789227 1044577136 /nfs/dbraw/zinc/57/71/36/1044577136.db2.gz OFTXEAWMSXBLFN-MFKMUULPSA-N 1 2 330.241 4.352 20 10 EICDLO C[N@H+](Cc1cccc(Br)c1O)C1CCC(F)(F)CC1 ZINC000699555831 1045064744 /nfs/dbraw/zinc/06/47/44/1045064744.db2.gz FXCOFUDWUDZVAF-UHFFFAOYSA-N 1 2 334.204 4.164 20 10 EICDLO C[N@@H+](Cc1cccc(Br)c1O)C1CCC(F)(F)CC1 ZINC000699555831 1045064760 /nfs/dbraw/zinc/06/47/60/1045064760.db2.gz FXCOFUDWUDZVAF-UHFFFAOYSA-N 1 2 334.204 4.164 20 10 EICDLO CC(C)n1cc2c(n1)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)CCC2 ZINC000790991284 1045646815 /nfs/dbraw/zinc/64/68/15/1045646815.db2.gz STEDPBQRYHIIPW-AWEZNQCLSA-N 1 2 337.826 4.129 20 10 EICDLO COc1c(C[NH2+]Cc2c(O)ccc(Cl)c2F)oc2ccccc21 ZINC000790991786 1045649655 /nfs/dbraw/zinc/64/96/55/1045649655.db2.gz QWAJDPHIRNXZBR-UHFFFAOYSA-N 1 2 335.762 4.229 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1c(F)cccc1OC(F)F ZINC000790971903 1045660740 /nfs/dbraw/zinc/66/07/40/1045660740.db2.gz YHBZUPAEYQFFLV-UHFFFAOYSA-N 1 2 349.711 4.215 20 10 EICDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000769314241 1045917628 /nfs/dbraw/zinc/91/76/28/1045917628.db2.gz WRXJPSSUXCVHDZ-IBGZPJMESA-N 1 2 348.849 4.119 20 10 EICDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(Cl)c3)C2)cc1 ZINC000769314241 1045917642 /nfs/dbraw/zinc/91/76/42/1045917642.db2.gz WRXJPSSUXCVHDZ-IBGZPJMESA-N 1 2 348.849 4.119 20 10 EICDLO CCC[N@H+](Cc1noc(C2CCCCC2)n1)Cc1ccccc1O ZINC000154157204 1046342731 /nfs/dbraw/zinc/34/27/31/1046342731.db2.gz ISKYUACZJOSNDZ-UHFFFAOYSA-N 1 2 329.444 4.235 20 10 EICDLO CCC[N@@H+](Cc1noc(C2CCCCC2)n1)Cc1ccccc1O ZINC000154157204 1046342745 /nfs/dbraw/zinc/34/27/45/1046342745.db2.gz ISKYUACZJOSNDZ-UHFFFAOYSA-N 1 2 329.444 4.235 20 10 EICDLO CC(C)Oc1cc(NCc2cc(Cl)c3cccnc3c2O)cc[nH+]1 ZINC001168521492 1046364632 /nfs/dbraw/zinc/36/46/32/1046364632.db2.gz DMMXBAUWKFRWIP-UHFFFAOYSA-N 1 2 343.814 4.388 20 10 EICDLO CC1(C)[C@H](C(F)(F)F)CC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787416432 1047003427 /nfs/dbraw/zinc/00/34/27/1047003427.db2.gz FSOGYQONNDEQOU-LLVKDONJSA-N 1 2 325.733 4.348 20 10 EICDLO CC1(C)[C@H](C(F)(F)F)CC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000787416432 1047003409 /nfs/dbraw/zinc/00/34/09/1047003409.db2.gz FSOGYQONNDEQOU-LLVKDONJSA-N 1 2 325.733 4.348 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1O ZINC000806134654 1047128685 /nfs/dbraw/zinc/12/86/85/1047128685.db2.gz AFLMKWHARPZHSB-MRXNPFEDSA-N 1 2 336.838 4.492 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1O ZINC000806132136 1047129906 /nfs/dbraw/zinc/12/99/06/1047129906.db2.gz RJYHGHOKIRJHGJ-SFHVURJKSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)c1cccc(Cl)c1O ZINC000806135701 1047132955 /nfs/dbraw/zinc/13/29/55/1047132955.db2.gz NUUWJRAZALTFIU-KRWDZBQOSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@@H]([NH2+][C@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1O ZINC000806129747 1047151886 /nfs/dbraw/zinc/15/18/86/1047151886.db2.gz JGKHLSHANIZGNZ-IUODEOHRSA-N 1 2 348.878 4.165 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(Cl)c1O ZINC000806128208 1047153142 /nfs/dbraw/zinc/15/31/42/1047153142.db2.gz HVQWHQGTRGLLTG-CABCVRRESA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@@H]([NH2+][C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(Cl)c1O ZINC000806139286 1047163399 /nfs/dbraw/zinc/16/33/99/1047163399.db2.gz MTUICHNOKGCHHG-IINYFYTJSA-N 1 2 345.830 4.429 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806141147 1047168853 /nfs/dbraw/zinc/16/88/53/1047168853.db2.gz GUXXQWIDFMVCJS-GTNSWQLSSA-N 1 2 335.879 4.068 20 10 EICDLO CCc1ccc([C@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2O)cc1 ZINC000806165155 1047188731 /nfs/dbraw/zinc/18/87/31/1047188731.db2.gz DESFZBOSFZSSLA-QZTJIDSGSA-N 1 2 333.859 4.382 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)c(F)cc1O ZINC000806178375 1047200405 /nfs/dbraw/zinc/20/04/05/1047200405.db2.gz FYSIEVFLZUATAL-UWVGGRQHSA-N 1 2 348.281 4.088 20 10 EICDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000788622331 1047251670 /nfs/dbraw/zinc/25/16/70/1047251670.db2.gz QXBKXBJQMAZWIX-UYHISHBKSA-N 1 2 335.394 4.079 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)c1c(F)cccc1F)c1cccc(Cl)c1O ZINC000806147653 1047990165 /nfs/dbraw/zinc/99/01/65/1047990165.db2.gz ZKDCTAYBVVWNHL-LSDHHAIUSA-N 1 2 341.785 4.098 20 10 EICDLO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000808718179 1048065465 /nfs/dbraw/zinc/06/54/65/1048065465.db2.gz QCVYTKATPUTABC-GFCCVEGCSA-N 1 2 329.831 4.124 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)Cc2csc([C@H](C)OC)n2)cc1 ZINC000747530525 1048142086 /nfs/dbraw/zinc/14/20/86/1048142086.db2.gz OWWRNIQPSPJFEV-HNNXBMFYSA-N 1 2 347.528 4.329 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2csc([C@H](C)OC)n2)cc1 ZINC000747530525 1048142109 /nfs/dbraw/zinc/14/21/09/1048142109.db2.gz OWWRNIQPSPJFEV-HNNXBMFYSA-N 1 2 347.528 4.329 20 10 EICDLO C[N@H+](Cc1ccccc1O)Cc1c(F)ccc(F)c1Br ZINC001143824186 1048219266 /nfs/dbraw/zinc/21/92/66/1048219266.db2.gz UPTSNSHGKMLVAW-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1ccccc1O)Cc1c(F)ccc(F)c1Br ZINC001143824186 1048219275 /nfs/dbraw/zinc/21/92/75/1048219275.db2.gz UPTSNSHGKMLVAW-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO CCOc1c(Cl)ccc(C[N@@H+]2CCc3cccc(O)c3C2)c1F ZINC001143832738 1048228773 /nfs/dbraw/zinc/22/87/73/1048228773.db2.gz ICPGWIWEIBQXPM-UHFFFAOYSA-N 1 2 335.806 4.142 20 10 EICDLO CCOc1c(Cl)ccc(C[N@H+]2CCc3cccc(O)c3C2)c1F ZINC001143832738 1048228787 /nfs/dbraw/zinc/22/87/87/1048228787.db2.gz ICPGWIWEIBQXPM-UHFFFAOYSA-N 1 2 335.806 4.142 20 10 EICDLO Oc1c(Br)cccc1CNc1ccc(C2CCC2)c[nH+]1 ZINC000815160523 1048354148 /nfs/dbraw/zinc/35/41/48/1048354148.db2.gz CLQJSHDGZFUHGP-UHFFFAOYSA-N 1 2 333.229 4.429 20 10 EICDLO OC[C@H]1C=C[C@@H]([N@H+](Cc2cccs2)Cc2cccc(Cl)c2O)C1 ZINC000809768339 1048501419 /nfs/dbraw/zinc/50/14/19/1048501419.db2.gz INIUHQPILBZRSL-DZGCQCFKSA-N 1 2 349.883 4.046 20 10 EICDLO OC[C@H]1C=C[C@@H]([N@@H+](Cc2cccs2)Cc2cccc(Cl)c2O)C1 ZINC000809768339 1048501422 /nfs/dbraw/zinc/50/14/22/1048501422.db2.gz INIUHQPILBZRSL-DZGCQCFKSA-N 1 2 349.883 4.046 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1nccn1-c1ccccc1 ZINC000809769647 1048503458 /nfs/dbraw/zinc/50/34/58/1048503458.db2.gz QDBDZDPEJYDMSZ-LBPRGKRZSA-N 1 2 345.805 4.221 20 10 EICDLO C[N@H+](Cc1nc2ccccc2s1)Cc1cc(Cl)c(F)cc1O ZINC000816482714 1048812680 /nfs/dbraw/zinc/81/26/80/1048812680.db2.gz PWHRPXSZUGVGBR-UHFFFAOYSA-N 1 2 336.819 4.426 20 10 EICDLO C[N@@H+](Cc1nc2ccccc2s1)Cc1cc(Cl)c(F)cc1O ZINC000816482714 1048812686 /nfs/dbraw/zinc/81/26/86/1048812686.db2.gz PWHRPXSZUGVGBR-UHFFFAOYSA-N 1 2 336.819 4.426 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000816488864 1048814056 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Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)c(-c2cnn(C)c2)c1 ZINC001179767870 1050765432 /nfs/dbraw/zinc/76/54/32/1050765432.db2.gz HBOLKKLFNXRMNX-UHFFFAOYSA-N 1 2 341.842 4.044 20 10 EICDLO C[N@H+](Cc1ccccc1F)Cc1cc(Br)cc(F)c1O ZINC001180161723 1050905907 /nfs/dbraw/zinc/90/59/07/1050905907.db2.gz NRWZXEGYCDJCPI-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1ccccc1F)Cc1cc(Br)cc(F)c1O ZINC001180161723 1050905911 /nfs/dbraw/zinc/90/59/11/1050905911.db2.gz NRWZXEGYCDJCPI-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@H+](Cc1cscn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183018583 1050937621 /nfs/dbraw/zinc/93/76/21/1050937621.db2.gz VXDJMQIXFMXNKQ-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO C[N@@H+](Cc1cscn1)Cc1ccc(OCc2ccccc2)cc1O ZINC000183018583 1050937628 /nfs/dbraw/zinc/93/76/28/1050937628.db2.gz VXDJMQIXFMXNKQ-UHFFFAOYSA-N 1 2 340.448 4.060 20 10 EICDLO Cc1ccc(Br)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC001182410951 1051535824 /nfs/dbraw/zinc/53/58/24/1051535824.db2.gz WDRTUYQMGGZYCB-UHFFFAOYSA-N 1 2 340.648 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Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H](c3ccccc3F)C2)c1O ZINC000775678715 1053553768 /nfs/dbraw/zinc/55/37/68/1053553768.db2.gz IVSNRDVRJVUGDS-QGZVFWFLSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000775678629 1053554264 /nfs/dbraw/zinc/55/42/64/1053554264.db2.gz HGXWDFQYHJAVJN-KRWDZBQOSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c1O ZINC000775678629 1053554272 /nfs/dbraw/zinc/55/42/72/1053554272.db2.gz HGXWDFQYHJAVJN-KRWDZBQOSA-N 1 2 335.806 4.067 20 10 EICDLO C[C@H]([NH2+]CCSCCC(F)(F)F)c1cc(F)cc(F)c1O ZINC000866543475 1053778480 /nfs/dbraw/zinc/77/84/80/1053778480.db2.gz RDILQAOBADGQPF-QMMMGPOBSA-N 1 2 329.334 4.007 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261570 1054427687 /nfs/dbraw/zinc/42/76/87/1054427687.db2.gz HVQIMAFVYPQTET-HNNXBMFYSA-N 1 2 327.827 4.108 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872261570 1054427692 /nfs/dbraw/zinc/42/76/92/1054427692.db2.gz HVQIMAFVYPQTET-HNNXBMFYSA-N 1 2 327.827 4.108 20 10 EICDLO CCCCOc1ncccc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001199770126 1054465656 /nfs/dbraw/zinc/46/56/56/1054465656.db2.gz USQSNBZOOQEQHV-UHFFFAOYSA-N 1 2 338.810 4.048 20 10 EICDLO COc1nccc(Nc2ccc([NH2+]C(C)C)cc2)c1Br ZINC001201489048 1054817535 /nfs/dbraw/zinc/81/75/35/1054817535.db2.gz YIGAIFPJLCRSSX-UHFFFAOYSA-N 1 2 336.233 4.417 20 10 EICDLO CCS(=O)(=O)c1ccc(OC)c(Nc2ccc([NH2+]C(C)C)cc2)c1 ZINC001201498160 1054820015 /nfs/dbraw/zinc/82/00/15/1054820015.db2.gz QJVPCXXYFFHEJS-UHFFFAOYSA-N 1 2 348.468 4.053 20 10 EICDLO COc1cc(N2CCOCC2)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201497168 1054820491 /nfs/dbraw/zinc/82/04/91/1054820491.db2.gz DQGRKLTWIISFNF-UHFFFAOYSA-N 1 2 341.455 4.096 20 10 EICDLO CC(C)n1cc2c(n1)[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)CCC2 ZINC000765814214 1055481130 /nfs/dbraw/zinc/48/11/30/1055481130.db2.gz COTYSSQKZCBCDI-BDJLRTHQSA-N 1 2 335.398 4.176 20 10 EICDLO CC[C@H](c1ccccc1O)[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905088 1022086503 /nfs/dbraw/zinc/08/65/03/1022086503.db2.gz HGKYVWCMIGVAMA-RHSMWYFYSA-N 1 2 340.471 4.169 20 10 EICDLO CC[C@H](c1ccccc1O)[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905088 1022086521 /nfs/dbraw/zinc/08/65/21/1022086521.db2.gz HGKYVWCMIGVAMA-RHSMWYFYSA-N 1 2 340.471 4.169 20 10 EICDLO Oc1c(Cl)cccc1C[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000378439826 1022823254 /nfs/dbraw/zinc/82/32/54/1022823254.db2.gz VQDGPSBSLXXFCV-UHFFFAOYSA-N 1 2 329.827 4.067 20 10 EICDLO C[C@@H]([NH2+]Cc1ccc(Br)cc1)c1cc(F)cc(F)c1O ZINC000756480632 1022983233 /nfs/dbraw/zinc/98/32/33/1022983233.db2.gz STZFBHIPXXFTOE-SECBINFHSA-N 1 2 342.183 4.284 20 10 EICDLO CSCC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756585722 1023678964 /nfs/dbraw/zinc/67/89/64/1023678964.db2.gz MBDLWVMVUARQGR-IUCAKERBSA-N 1 2 336.270 4.086 20 10 EICDLO COCC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000276892909 1024675546 /nfs/dbraw/zinc/67/55/46/1024675546.db2.gz IBCIXMBJMZGSDX-FZMZJTMJSA-N 1 2 325.355 4.000 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277029147 1025002593 /nfs/dbraw/zinc/00/25/93/1025002593.db2.gz MIWXCRSVZUOQPB-UHFFFAOYSA-N 1 2 349.833 4.366 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000277029147 1025002599 /nfs/dbraw/zinc/00/25/99/1025002599.db2.gz MIWXCRSVZUOQPB-UHFFFAOYSA-N 1 2 349.833 4.366 20 10 EICDLO C[N@H+](Cc1cc(Cl)cc(Br)c1O)C1CC(F)(F)C1 ZINC001141367809 1025041353 /nfs/dbraw/zinc/04/13/53/1025041353.db2.gz RCMBHVYGKVXCHS-UHFFFAOYSA-N 1 2 340.595 4.038 20 10 EICDLO C[N@@H+](Cc1cc(Cl)cc(Br)c1O)C1CC(F)(F)C1 ZINC001141367809 1025041368 /nfs/dbraw/zinc/04/13/68/1025041368.db2.gz RCMBHVYGKVXCHS-UHFFFAOYSA-N 1 2 340.595 4.038 20 10 EICDLO C[C@H](CCc1ccccc1)[NH2+]Cc1cccc(Br)c1O ZINC000048795220 1026417221 /nfs/dbraw/zinc/41/72/21/1026417221.db2.gz QRDZPZVVEWNENQ-CYBMUJFWSA-N 1 2 334.257 4.266 20 10 EICDLO COc1ccc2c(c1)CCCC[N@H+]2CCCc1ccccc1OC ZINC001168244994 1031461339 /nfs/dbraw/zinc/46/13/39/1031461339.db2.gz WKLJFPOZJUQTRL-UHFFFAOYSA-N 1 2 325.452 4.479 20 10 EICDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCc1ccccc1OC ZINC001168244994 1031461340 /nfs/dbraw/zinc/46/13/40/1031461340.db2.gz WKLJFPOZJUQTRL-UHFFFAOYSA-N 1 2 325.452 4.479 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000715752208 1043636404 /nfs/dbraw/zinc/63/64/04/1043636404.db2.gz GQQSHQKUSUMECC-NWDGAFQWSA-N 1 2 342.252 4.306 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000715752208 1043636420 /nfs/dbraw/zinc/63/64/20/1043636420.db2.gz GQQSHQKUSUMECC-NWDGAFQWSA-N 1 2 342.252 4.306 20 10 EICDLO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC000715786933 1044549490 /nfs/dbraw/zinc/54/94/90/1044549490.db2.gz BVQVUGKZEZQWDM-GIPNMCIBSA-N 1 2 330.241 4.208 20 10 EICDLO Oc1cccc(F)c1C[N@@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001137838485 1044688003 /nfs/dbraw/zinc/68/80/03/1044688003.db2.gz BNIYSGXYHYTDOD-MRXNPFEDSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1cccc(F)c1C[N@H+]1CCSC[C@@H]1c1cccc(Cl)c1 ZINC001137838485 1044688011 /nfs/dbraw/zinc/68/80/11/1044688011.db2.gz BNIYSGXYHYTDOD-MRXNPFEDSA-N 1 2 337.847 4.475 20 10 EICDLO CCCCc1noc([C@H](C)[N@H+](C)Cc2ccc(N(CC)CC)cc2)n1 ZINC000738297748 1045055179 /nfs/dbraw/zinc/05/51/79/1045055179.db2.gz BABMLMRCLLTPHP-INIZCTEOSA-N 1 2 344.503 4.451 20 10 EICDLO CCCCc1noc([C@H](C)[N@@H+](C)Cc2ccc(N(CC)CC)cc2)n1 ZINC000738297748 1045055193 /nfs/dbraw/zinc/05/51/93/1045055193.db2.gz BABMLMRCLLTPHP-INIZCTEOSA-N 1 2 344.503 4.451 20 10 EICDLO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1cc(Br)cc(F)c1O ZINC001118238441 1045211232 /nfs/dbraw/zinc/21/12/32/1045211232.db2.gz IDKDJPJQQGUEIJ-JMJZKYOTSA-N 1 2 334.204 4.225 20 10 EICDLO Cc1ccc(-c2nc(C[NH2+]Cc3c(O)ccc(Cl)c3F)co2)cc1 ZINC000790971153 1045643287 /nfs/dbraw/zinc/64/32/87/1045643287.db2.gz PPBDWMZICLIPOD-UHFFFAOYSA-N 1 2 346.789 4.438 20 10 EICDLO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790976817 1045663293 /nfs/dbraw/zinc/66/32/93/1045663293.db2.gz LOTWVXKPWXFTKI-UHFFFAOYSA-N 1 2 345.157 4.036 20 10 EICDLO CC(C)(C)Oc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)n1 ZINC000790982649 1045666058 /nfs/dbraw/zinc/66/60/58/1045666058.db2.gz WIVHRZVQMLGSMZ-UHFFFAOYSA-N 1 2 338.810 4.047 20 10 EICDLO Cc1cc([C@H]2C[N@H+](Cc3cc(Cl)ccc3O)CCO2)ccc1F ZINC000769481814 1045968286 /nfs/dbraw/zinc/96/82/86/1045968286.db2.gz VYIDTYBRMQRRQN-GOSISDBHSA-N 1 2 335.806 4.067 20 10 EICDLO Cc1cc([C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)CCO2)ccc1F ZINC000769481814 1045968296 /nfs/dbraw/zinc/96/82/96/1045968296.db2.gz VYIDTYBRMQRRQN-GOSISDBHSA-N 1 2 335.806 4.067 20 10 EICDLO CCOc1ccc(C[N@H+]2Cc3cccc(Br)c3C2)c(O)c1 ZINC000770663456 1046244207 /nfs/dbraw/zinc/24/42/07/1046244207.db2.gz FBTHFCLVQWBVDT-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCOc1ccc(C[N@@H+]2Cc3cccc(Br)c3C2)c(O)c1 ZINC000770663456 1046244193 /nfs/dbraw/zinc/24/41/93/1046244193.db2.gz FBTHFCLVQWBVDT-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO Cn1c[nH+]c2ccc(NCc3cc(Cl)c4cccnc4c3O)cc21 ZINC001168522947 1046752771 /nfs/dbraw/zinc/75/27/71/1046752771.db2.gz XGUAZFIYZJLZDH-UHFFFAOYSA-N 1 2 338.798 4.093 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1O ZINC000806136716 1047132521 /nfs/dbraw/zinc/13/25/21/1047132521.db2.gz FYNVOKUVEZHTSA-INIZCTEOSA-N 1 2 347.842 4.448 20 10 EICDLO CC[C@@H]([NH2+][C@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1O ZINC000806138216 1047134430 /nfs/dbraw/zinc/13/44/30/1047134430.db2.gz XCGUETVBQWRKHE-CZUORRHYSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000806137772 1047134995 /nfs/dbraw/zinc/13/49/95/1047134995.db2.gz NRSUJKQXLXDCBG-MRXNPFEDSA-N 1 2 334.803 4.237 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806128153 1047153347 /nfs/dbraw/zinc/15/33/47/1047153347.db2.gz GPRIQPIXDDOMAJ-VQIMIIECSA-N 1 2 344.886 4.361 20 10 EICDLO C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806176356 1047162391 /nfs/dbraw/zinc/16/23/91/1047162391.db2.gz KQQQJZRNKKAIDZ-QLJPJBMISA-N 1 2 341.785 4.098 20 10 EICDLO C[C@@H]([NH2+]CCC1(F)CCC1)c1cc(Br)c(F)cc1O ZINC000806176735 1047163327 /nfs/dbraw/zinc/16/33/27/1047163327.db2.gz VOXJJDQYCMWVHO-SECBINFHSA-N 1 2 334.204 4.227 20 10 EICDLO CC[C@H]([NH2+]Cc1nc2cc(C)ccc2[nH]1)c1cccc(Cl)c1O ZINC000806140705 1047165851 /nfs/dbraw/zinc/16/58/51/1047165851.db2.gz BDXQGWNYWRPHQR-AWEZNQCLSA-N 1 2 329.831 4.471 20 10 EICDLO CC[C@H]([NH2+]Cc1nc2ccc(C)cc2[nH]1)c1cccc(Cl)c1O ZINC000806140705 1047165858 /nfs/dbraw/zinc/16/58/58/1047165858.db2.gz BDXQGWNYWRPHQR-AWEZNQCLSA-N 1 2 329.831 4.471 20 10 EICDLO CC[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(Cl)c1O ZINC000806141632 1047165963 /nfs/dbraw/zinc/16/59/63/1047165963.db2.gz UTVHSJCINJVVLC-ZBFHGGJFSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806144022 1047167736 /nfs/dbraw/zinc/16/77/36/1047167736.db2.gz RCLHTMQMVPTFBT-GOSISDBHSA-N 1 2 349.858 4.312 20 10 EICDLO CC[C@@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1O ZINC000806146107 1047170226 /nfs/dbraw/zinc/17/02/26/1047170226.db2.gz KBASLIGCWRAJMN-CQSZACIVSA-N 1 2 347.821 4.312 20 10 EICDLO CC[C@@H]([NH2+][C@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1O ZINC000806149551 1047174866 /nfs/dbraw/zinc/17/48/66/1047174866.db2.gz VMWPPESBBMJYIV-MSOLQXFVSA-N 1 2 330.859 4.273 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)CCOCc1ccccc1)c1cc(F)cc(F)c1O ZINC000806182863 1047193753 /nfs/dbraw/zinc/19/37/53/1047193753.db2.gz FPMFGMXVONIKRS-UONOGXRCSA-N 1 2 335.394 4.316 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)cc(F)c1O ZINC000806179719 1047200507 /nfs/dbraw/zinc/20/05/07/1047200507.db2.gz VGDLYTCEGNEPPJ-ZJUUUORDSA-N 1 2 348.281 4.088 20 10 EICDLO CSC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000788605936 1047246068 /nfs/dbraw/zinc/24/60/68/1047246068.db2.gz NWLFIEGFJZNOCP-SECBINFHSA-N 1 2 348.281 4.230 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825046085 1048024874 /nfs/dbraw/zinc/02/48/74/1048024874.db2.gz QAHCWPMOOSYYIJ-GFCCVEGCSA-N 1 2 345.723 4.379 20 10 EICDLO CCc1nc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cs1 ZINC000815577813 1048519542 /nfs/dbraw/zinc/51/95/42/1048519542.db2.gz ACCSKIRFQNEHGP-VIFPVBQESA-N 1 2 330.375 4.281 20 10 EICDLO CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810208243 1048707179 /nfs/dbraw/zinc/70/71/79/1048707179.db2.gz VIOXQDVXIDFCPS-INIZCTEOSA-N 1 2 344.421 4.326 20 10 EICDLO Oc1cc(F)c(Cl)cc1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000816526076 1048831564 /nfs/dbraw/zinc/83/15/64/1048831564.db2.gz SKSUBKULPLBADR-UHFFFAOYSA-N 1 2 335.741 4.122 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573761 1048838433 /nfs/dbraw/zinc/83/84/33/1048838433.db2.gz JWMLIZPMYCLYOI-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573761 1048838439 /nfs/dbraw/zinc/83/84/39/1048838439.db2.gz JWMLIZPMYCLYOI-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO Cc1ccc(F)c(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001138029012 1048892630 /nfs/dbraw/zinc/89/26/30/1048892630.db2.gz BVVMVHUKHHGWTC-UHFFFAOYSA-N 1 2 335.806 4.147 20 10 EICDLO Cc1ccc(F)c(C[N@H+]2CCCc3cc(O)c(O)cc3C2)c1Cl ZINC001138029012 1048892631 /nfs/dbraw/zinc/89/26/31/1048892631.db2.gz BVVMVHUKHHGWTC-UHFFFAOYSA-N 1 2 335.806 4.147 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955393 1049067598 /nfs/dbraw/zinc/06/75/98/1049067598.db2.gz XNQGBUAWOQAUGQ-QMTHXVAHSA-N 1 2 325.239 4.050 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525567 1049767393 /nfs/dbraw/zinc/76/73/93/1049767393.db2.gz IMKBIEGXHFZFIU-HZPDHXFCSA-N 1 2 338.234 4.007 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000822525567 1049767397 /nfs/dbraw/zinc/76/73/97/1049767397.db2.gz IMKBIEGXHFZFIU-HZPDHXFCSA-N 1 2 338.234 4.007 20 10 EICDLO C/C(=C/c1ccccc1)C[NH2+]Cc1cccc(Br)c1O ZINC000775153335 1050650122 /nfs/dbraw/zinc/65/01/22/1050650122.db2.gz SZVGTUWZRWGXMP-RAXLEYEMSA-N 1 2 332.241 4.348 20 10 EICDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC001237084806 1050683064 /nfs/dbraw/zinc/68/30/64/1050683064.db2.gz NQVVMACXRBRPDL-UHFFFAOYSA-N 1 2 330.255 4.234 20 10 EICDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1CCOC2(CCCCC2)C1 ZINC001237084806 1050683072 /nfs/dbraw/zinc/68/30/72/1050683072.db2.gz NQVVMACXRBRPDL-UHFFFAOYSA-N 1 2 330.255 4.234 20 10 EICDLO Cc1nc(C[N@H+](Cc2ccco2)Cc2ccccc2O)sc1C ZINC000763543556 1050741981 /nfs/dbraw/zinc/74/19/81/1050741981.db2.gz MUNLECYGOKJZQR-UHFFFAOYSA-N 1 2 328.437 4.261 20 10 EICDLO Cc1nc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)sc1C ZINC000763543556 1050741990 /nfs/dbraw/zinc/74/19/90/1050741990.db2.gz MUNLECYGOKJZQR-UHFFFAOYSA-N 1 2 328.437 4.261 20 10 EICDLO CCC[N@@H+](Cc1cccc(Cl)c1O)C[C@@H]1COc2ccccc2O1 ZINC001180353382 1050965313 /nfs/dbraw/zinc/96/53/13/1050965313.db2.gz FHAMCGMCHUJLBT-OAHLLOKOSA-N 1 2 347.842 4.098 20 10 EICDLO CCC[N@H+](Cc1cccc(Cl)c1O)C[C@@H]1COc2ccccc2O1 ZINC001180353382 1050965334 /nfs/dbraw/zinc/96/53/34/1050965334.db2.gz FHAMCGMCHUJLBT-OAHLLOKOSA-N 1 2 347.842 4.098 20 10 EICDLO Cc1ccc(C)c(N2CC[NH+](Cc3cc(Cl)cc(F)c3O)CC2)c1 ZINC001180378940 1050974696 /nfs/dbraw/zinc/97/46/96/1050974696.db2.gz MUSZTWAEHZLAGW-UHFFFAOYSA-N 1 2 348.849 4.124 20 10 EICDLO Cc1ccccc1[C@@]1(F)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181196106 1051178427 /nfs/dbraw/zinc/17/84/27/1051178427.db2.gz ITQRYDLQOOOBJN-HXUWFJFHSA-N 1 2 348.412 4.410 20 10 EICDLO Cc1ccccc1[C@@]1(F)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181196106 1051178435 /nfs/dbraw/zinc/17/84/35/1051178435.db2.gz ITQRYDLQOOOBJN-HXUWFJFHSA-N 1 2 348.412 4.410 20 10 EICDLO Cc1cc(N(Cc2ccco2)Cc2ccccc2O)nc(C2CC2)[nH+]1 ZINC000775482663 1051553780 /nfs/dbraw/zinc/55/37/80/1051553780.db2.gz UYWNRICMWMZCCV-UHFFFAOYSA-N 1 2 335.407 4.168 20 10 EICDLO COCCC1(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)CCCCC1 ZINC000775589425 1051895641 /nfs/dbraw/zinc/89/56/41/1051895641.db2.gz PUTWMRXRPUIZQH-CYBMUJFWSA-N 1 2 327.415 4.308 20 10 EICDLO C[C@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919610 1052308870 /nfs/dbraw/zinc/30/88/70/1052308870.db2.gz UCOCRDSCEWZQEU-HNAYVOBHSA-N 1 2 328.431 4.019 20 10 EICDLO C[C@@H](N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919629 1052309726 /nfs/dbraw/zinc/30/97/26/1052309726.db2.gz UCOCRDSCEWZQEU-DNVCBOLYSA-N 1 2 328.431 4.019 20 10 EICDLO Cc1[nH+]cn(-c2ccc(NCc3ccc(F)c(F)c3O)cc2)c1C ZINC000864038678 1053180879 /nfs/dbraw/zinc/18/08/79/1053180879.db2.gz QZRYCJRDALYGDC-UHFFFAOYSA-N 1 2 329.350 4.085 20 10 EICDLO Oc1ccccc1C[N@H+](Cc1ccco1)Cc1nc2c(s1)CCC2 ZINC000775633394 1053254705 /nfs/dbraw/zinc/25/47/05/1053254705.db2.gz JEXFNIFEJSPWGR-UHFFFAOYSA-N 1 2 340.448 4.133 20 10 EICDLO Oc1ccccc1C[N@@H+](Cc1ccco1)Cc1nc2c(s1)CCC2 ZINC000775633394 1053254738 /nfs/dbraw/zinc/25/47/38/1053254738.db2.gz JEXFNIFEJSPWGR-UHFFFAOYSA-N 1 2 340.448 4.133 20 10 EICDLO C[C@H]([NH2+]CCCOC(C)(C)C)c1cc(Br)cc(F)c1O ZINC000850528027 1053288266 /nfs/dbraw/zinc/28/82/66/1053288266.db2.gz ZWKXFPXANVFFAN-JTQLQIEISA-N 1 2 348.256 4.150 20 10 EICDLO CC[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)c1cccc(Cl)c1O ZINC000850550238 1053306695 /nfs/dbraw/zinc/30/66/95/1053306695.db2.gz LZGXCGYZSNQQAF-INIZCTEOSA-N 1 2 333.863 4.288 20 10 EICDLO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1O ZINC000775652480 1053399612 /nfs/dbraw/zinc/39/96/12/1053399612.db2.gz ZZLNYIYCTDOVRA-UHFFFAOYSA-N 1 2 334.803 4.364 20 10 EICDLO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(Cl)c1O ZINC000775652480 1053399623 /nfs/dbraw/zinc/39/96/23/1053399623.db2.gz ZZLNYIYCTDOVRA-UHFFFAOYSA-N 1 2 334.803 4.364 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715616 1053671252 /nfs/dbraw/zinc/67/12/52/1053671252.db2.gz HYNOPDPPZLXMFZ-IAOVAPTHSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000775715616 1053671261 /nfs/dbraw/zinc/67/12/61/1053671261.db2.gz HYNOPDPPZLXMFZ-IAOVAPTHSA-N 1 2 341.854 4.210 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccccc2NC(=O)c2cnccn2)cc1 ZINC001201499871 1054822623 /nfs/dbraw/zinc/82/26/23/1054822623.db2.gz RVEJUECFQNTWEN-UHFFFAOYSA-N 1 2 347.422 4.293 20 10 EICDLO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000776251824 1055059137 /nfs/dbraw/zinc/05/91/37/1055059137.db2.gz CIVSVDYJIUNXBH-UHFFFAOYSA-N 1 2 339.863 4.036 20 10 EICDLO Oc1c(C[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)ccc(F)c1F ZINC000877589260 1055086876 /nfs/dbraw/zinc/08/68/76/1055086876.db2.gz KQDNQYGZKJWWEA-LJQANCHMSA-N 1 2 345.389 4.024 20 10 EICDLO CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776255475 1055091565 /nfs/dbraw/zinc/09/15/65/1055091565.db2.gz YMKOIZYVAPXHAW-QGHHPUGFSA-N 1 2 341.785 4.190 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C(F)(F)F)nc1 ZINC000877827925 1055129931 /nfs/dbraw/zinc/12/99/31/1055129931.db2.gz AHSQOUPCRHRHHT-SECBINFHSA-N 1 2 330.737 4.310 20 10 EICDLO CCN(CC)c1ccc(C[NH2+]Cc2nc(C(C)(C)C)co2)cc1F ZINC000921713890 1056106084 /nfs/dbraw/zinc/10/60/84/1056106084.db2.gz CTOKFMOBXHPSMM-UHFFFAOYSA-N 1 2 333.451 4.247 20 10 EICDLO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715766249 1044118619 /nfs/dbraw/zinc/11/86/19/1044118619.db2.gz PAGZJKCZBLZTSQ-ZUZCIYMTSA-N 1 2 330.241 4.352 20 10 EICDLO CCOc1ccc(N2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC001204443981 1020362933 /nfs/dbraw/zinc/36/29/33/1020362933.db2.gz FMSBXGMFKXPYLJ-UHFFFAOYSA-N 1 2 336.888 4.122 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1O ZINC000376831555 1023320186 /nfs/dbraw/zinc/32/01/86/1023320186.db2.gz AQJLKMZZMXTBCQ-HUUCEWRRSA-N 1 2 348.878 4.336 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Cl)c1O ZINC000377407726 1023517264 /nfs/dbraw/zinc/51/72/64/1023517264.db2.gz BQNZRBARTWXMSQ-NUTKFTJISA-N 1 2 341.904 4.141 20 10 EICDLO Cc1cc(C[N@H+](C)Cc2nccn2C(F)F)c(O)c(C(C)(C)C)c1 ZINC000124373351 1023936610 /nfs/dbraw/zinc/93/66/10/1023936610.db2.gz RPKGPQUZFBPVNC-UHFFFAOYSA-N 1 2 337.414 4.222 20 10 EICDLO Cc1cc(C[N@@H+](C)Cc2nccn2C(F)F)c(O)c(C(C)(C)C)c1 ZINC000124373351 1023936618 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C[N@@H+](Cc1cccc(Br)c1)Cc1cccc(Cl)c1O ZINC001231911035 1036254101 /nfs/dbraw/zinc/25/41/01/1036254101.db2.gz ZGQHZGJIWROPDW-UHFFFAOYSA-N 1 2 340.648 4.440 20 10 EICDLO Cc1ccc([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c(O)c1 ZINC000273435626 1037464519 /nfs/dbraw/zinc/46/45/19/1037464519.db2.gz WVRPCKXCHWEWHG-LIRRHRJNSA-N 1 2 339.414 4.013 20 10 EICDLO COCCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000760893129 1037577921 /nfs/dbraw/zinc/57/79/21/1037577921.db2.gz BNFABAQOMQZQRJ-JTQLQIEISA-N 1 2 348.256 4.007 20 10 EICDLO C[C@@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000760909940 1037658509 /nfs/dbraw/zinc/65/85/09/1037658509.db2.gz TXMMDSRQJHYQNW-CETSPDHXSA-N 1 2 347.405 4.151 20 10 EICDLO CCOc1ccc(N2CC[NH+](Cc3cccc(F)c3Cl)CC2)cc1 ZINC001168332310 1039025184 /nfs/dbraw/zinc/02/51/84/1039025184.db2.gz WHKOLFLFBFTNLY-UHFFFAOYSA-N 1 2 348.849 4.200 20 10 EICDLO C[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2O)CC(C)(C)C1 ZINC001204961777 1040273774 /nfs/dbraw/zinc/27/37/74/1040273774.db2.gz 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Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790989221 1045646238 /nfs/dbraw/zinc/64/62/38/1045646238.db2.gz AENVOLZWCFGPEF-UHFFFAOYSA-N 1 2 347.821 4.096 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC000790976418 1045664386 /nfs/dbraw/zinc/66/43/86/1045664386.db2.gz BWSQCGGQOWNLQV-GFCCVEGCSA-N 1 2 328.170 4.061 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000791582726 1045765025 /nfs/dbraw/zinc/76/50/25/1045765025.db2.gz CGKCMKHKBQYFEG-OQPBUACISA-N 1 2 335.753 4.021 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1O ZINC000791582726 1045765047 /nfs/dbraw/zinc/76/50/47/1045765047.db2.gz CGKCMKHKBQYFEG-OQPBUACISA-N 1 2 335.753 4.021 20 10 EICDLO COc1ccc(C[NH2+][C@H](c2ccco2)c2ccccc2OC)cc1C ZINC000769420525 1045954693 /nfs/dbraw/zinc/95/46/93/1045954693.db2.gz XNIXMJMQWJPDNE-NRFANRHFSA-N 1 2 337.419 4.484 20 10 EICDLO C[C@@]12CC[N@H+](Cc3cc(Cl)cc(F)c3O)C[C@@H]1C2(Cl)Cl ZINC000793609488 1046308553 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4.098 20 10 EICDLO CC[C@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(Cl)c1O ZINC000806141983 1047164646 /nfs/dbraw/zinc/16/46/46/1047164646.db2.gz BLEVBWUURHMLSL-INIZCTEOSA-N 1 2 325.880 4.419 20 10 EICDLO CC[C@H]([NH2+]CCCC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806141723 1047165372 /nfs/dbraw/zinc/16/53/72/1047165372.db2.gz LUCYNKLJVPNLMG-AWEZNQCLSA-N 1 2 327.852 4.208 20 10 EICDLO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1cccc(Cl)c1O ZINC000806141629 1047165875 /nfs/dbraw/zinc/16/58/75/1047165875.db2.gz UTVHSJCINJVVLC-GDBMZVCRSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc(Cl)c1O ZINC000806144296 1047171115 /nfs/dbraw/zinc/17/11/15/1047171115.db2.gz USPMARYYIGNHNF-DLBZAZTESA-N 1 2 325.880 4.418 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1O ZINC000806146268 1047171394 /nfs/dbraw/zinc/17/13/94/1047171394.db2.gz MOSWRKMLCAXZKR-ROUUACIJSA-N 1 2 331.843 4.400 20 10 EICDLO CC[C@@H]([NH2+][C@@H](CO)c1sccc1C)c1cccc(Cl)c1O ZINC000806148689 1047172463 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/nfs/dbraw/zinc/57/55/13/1048575513.db2.gz OXNKKXMESOLWND-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO C[N@@H+](Cc1ccccc1F)Cc1cc(Br)c(F)cc1O ZINC001144300033 1048575525 /nfs/dbraw/zinc/57/55/25/1048575525.db2.gz OXNKKXMESOLWND-UHFFFAOYSA-N 1 2 342.183 4.065 20 10 EICDLO CCCN(CCC)c1ccc(C[NH2+]Cc2nnc(CC)s2)cc1 ZINC000810176770 1048668573 /nfs/dbraw/zinc/66/85/73/1048668573.db2.gz VQBSYAJPUSXJST-UHFFFAOYSA-N 1 2 332.517 4.017 20 10 EICDLO COc1cccc(C2(C[NH2+][C@@H](C)c3cc(F)cc(F)c3O)CC2)c1 ZINC000810240006 1048721838 /nfs/dbraw/zinc/72/18/38/1048721838.db2.gz LZWREFQFSBSFPM-LBPRGKRZSA-N 1 2 333.378 4.061 20 10 EICDLO CC[C@H]([NH2+]C[C@@]1(CO)C[C@H]1c1ccccc1)c1cccc(Cl)c1O ZINC000810247087 1048726479 /nfs/dbraw/zinc/72/64/79/1048726479.db2.gz SQJXWLWAVQCRLE-XKGZKEIXSA-N 1 2 345.870 4.253 20 10 EICDLO C[C@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955391 1049065834 /nfs/dbraw/zinc/06/58/34/1049065834.db2.gz XNQGBUAWOQAUGQ-HZMBPMFUSA-N 1 2 325.239 4.050 20 10 EICDLO C[C@H]([NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21)c1cc(F)cc(F)c1O ZINC000817975326 1049074186 /nfs/dbraw/zinc/07/41/86/1049074186.db2.gz KYCLRNIUICUAIX-QFYYESIMSA-N 1 2 348.393 4.206 20 10 EICDLO CN(C)c1nc(NCc2cc3ccccc3cc2O)[nH+]c2ccccc21 ZINC001171403072 1049625209 /nfs/dbraw/zinc/62/52/09/1049625209.db2.gz YJNUZLUSFSXZHT-UHFFFAOYSA-N 1 2 344.418 4.167 20 10 EICDLO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001178748327 1050542102 /nfs/dbraw/zinc/54/21/02/1050542102.db2.gz UDJGWNDKXMQSCK-WDEREUQCSA-N 1 2 330.241 4.210 20 10 EICDLO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775152677 1050643248 /nfs/dbraw/zinc/64/32/48/1050643248.db2.gz OSFTVZRQOFSSBK-WCQYABFASA-N 1 2 344.318 4.165 20 10 EICDLO COc1ccccc1C[C@H](C)[N@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001180185205 1050897468 /nfs/dbraw/zinc/89/74/68/1050897468.db2.gz XZSQZPWCXPCDAR-LBPRGKRZSA-N 1 2 337.822 4.256 20 10 EICDLO COc1ccccc1C[C@H](C)[N@@H+](C)Cc1cc(Cl)cc(F)c1O ZINC001180185205 1050897473 /nfs/dbraw/zinc/89/74/73/1050897473.db2.gz XZSQZPWCXPCDAR-LBPRGKRZSA-N 1 2 337.822 4.256 20 10 EICDLO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC001182424482 1051544564 /nfs/dbraw/zinc/54/45/64/1051544564.db2.gz UOFCCSXSLXUSCW-AWEZNQCLSA-N 1 2 332.875 4.141 20 10 EICDLO COc1ccc2c(c1)CCCC[N@H+]2CCCN(C)C(=O)OC(C)(C)C ZINC001192314516 1051689186 /nfs/dbraw/zinc/68/91/86/1051689186.db2.gz IFSDVAMLYBHCQK-UHFFFAOYSA-N 1 2 348.487 4.095 20 10 EICDLO COc1ccc2c(c1)CCCC[N@@H+]2CCCN(C)C(=O)OC(C)(C)C ZINC001192314516 1051689191 /nfs/dbraw/zinc/68/91/91/1051689191.db2.gz IFSDVAMLYBHCQK-UHFFFAOYSA-N 1 2 348.487 4.095 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183779533 1051895029 /nfs/dbraw/zinc/89/50/29/1051895029.db2.gz OQXLVOTVHNORBM-SNVBAGLBSA-N 1 2 341.760 4.452 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](c2c(F)cccc2F)C1 ZINC001183779533 1051895034 /nfs/dbraw/zinc/89/50/34/1051895034.db2.gz OQXLVOTVHNORBM-SNVBAGLBSA-N 1 2 341.760 4.452 20 10 EICDLO COc1cc[nH+]cc1Nc1ccc(NC(=O)Nc2ccc(N)cc2)cc1 ZINC001176123601 1051924342 /nfs/dbraw/zinc/92/43/42/1051924342.db2.gz BXEJQEMATZIYGS-UHFFFAOYSA-N 1 2 349.394 4.060 20 10 EICDLO Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185053203 1052379811 /nfs/dbraw/zinc/37/98/11/1052379811.db2.gz AMVAEGWQFNCKDY-MRXNPFEDSA-N 1 2 342.458 4.155 20 10 EICDLO CC[C@@H]([NH2+][C@@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1O ZINC000850513611 1053273151 /nfs/dbraw/zinc/27/31/51/1053273151.db2.gz HPKQWAUCMZVPGW-MSOLQXFVSA-N 1 2 349.858 4.483 20 10 EICDLO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O)CC(F)F ZINC000842891007 1053581599 /nfs/dbraw/zinc/58/15/99/1053581599.db2.gz VWNRQNSCCQWFOU-SFYZADRCSA-N 1 2 340.183 4.236 20 10 EICDLO O=c1[nH]ccc(Nc2ccc([NH2+]CC3CCCC3)cc2)c1[N+](=O)[O-] ZINC000853251732 1053660087 /nfs/dbraw/zinc/66/00/87/1053660087.db2.gz CTKPXQRPGOSGLG-UHFFFAOYSA-N 1 2 328.372 4.041 20 10 EICDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775713699 1053664148 /nfs/dbraw/zinc/66/41/48/1053664148.db2.gz LWDBNUNASHJHHW-AWEZNQCLSA-N 1 2 347.817 4.280 20 10 EICDLO O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775713699 1053664163 /nfs/dbraw/zinc/66/41/63/1053664163.db2.gz LWDBNUNASHJHHW-AWEZNQCLSA-N 1 2 347.817 4.280 20 10 EICDLO Cc1cc2ccccc2[nH+]c1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853956782 1053728703 /nfs/dbraw/zinc/72/87/03/1053728703.db2.gz ZXVDUDFGLZDHHR-UHFFFAOYSA-N 1 2 347.462 4.116 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2Cc3ccc(Br)cc3C2)c1 ZINC000765671552 1053837920 /nfs/dbraw/zinc/83/79/20/1053837920.db2.gz GEKLBRGGEKTGKJ-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2Cc3ccc(Br)cc3C2)c1 ZINC000765671552 1053837921 /nfs/dbraw/zinc/83/79/21/1053837921.db2.gz GEKLBRGGEKTGKJ-UHFFFAOYSA-N 1 2 348.240 4.069 20 10 EICDLO C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cccc(C(F)(F)F)c1O ZINC000872112798 1054392224 /nfs/dbraw/zinc/39/22/24/1054392224.db2.gz LRACQOSRNHMYSB-ZETCQYMHSA-N 1 2 336.766 4.372 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(F)c(Br)c1 ZINC000776115673 1054553552 /nfs/dbraw/zinc/55/35/52/1054553552.db2.gz QCHXKYXZEJKVLF-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2c(F)cccc2N2CCOCC2)cc1 ZINC001201498975 1054820928 /nfs/dbraw/zinc/82/09/28/1054820928.db2.gz JBLPICUQILHBJH-UHFFFAOYSA-N 1 2 329.419 4.226 20 10 EICDLO CO[C@@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000776220191 1054936196 /nfs/dbraw/zinc/93/61/96/1054936196.db2.gz LMPNETJBGMHFFI-HNNXBMFYSA-N 1 2 326.223 4.176 20 10 EICDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)[C@H]1c1cccnc1 ZINC000825959203 1055043687 /nfs/dbraw/zinc/04/36/87/1055043687.db2.gz COJDXEJOLLQFPC-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)[C@H]1c1cccnc1 ZINC000825959203 1055043699 /nfs/dbraw/zinc/04/36/99/1055043699.db2.gz COJDXEJOLLQFPC-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO CO[C@@H](c1ccc(F)cc1)[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776255474 1055090353 /nfs/dbraw/zinc/09/03/53/1055090353.db2.gz YMKOIZYVAPXHAW-DYZYQPBXSA-N 1 2 341.785 4.190 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(C(F)(F)F)nc1 ZINC000877829047 1055129825 /nfs/dbraw/zinc/12/98/25/1055129825.db2.gz UOJVSELOHFWJQB-MRVPVSSYSA-N 1 2 348.727 4.449 20 10 EICDLO C[N@H+](Cc1noc2c1CCCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000108917112 1055311061 /nfs/dbraw/zinc/31/10/61/1055311061.db2.gz UGKYIFXCUZWQPM-UHFFFAOYSA-N 1 2 339.483 4.176 20 10 EICDLO C[N@@H+](Cc1noc2c1CCCC2)Cc1ccc(N2CCCCC2)cc1 ZINC000108917112 1055311079 /nfs/dbraw/zinc/31/10/79/1055311079.db2.gz UGKYIFXCUZWQPM-UHFFFAOYSA-N 1 2 339.483 4.176 20 10 EICDLO COc1ccc(F)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001143373197 1019019268 /nfs/dbraw/zinc/01/92/68/1019019268.db2.gz VBKDSNAVVRPUIX-UHFFFAOYSA-N 1 2 336.838 4.186 20 10 EICDLO COc1ccc(F)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1Cl ZINC001143373197 1019019284 /nfs/dbraw/zinc/01/92/84/1019019284.db2.gz VBKDSNAVVRPUIX-UHFFFAOYSA-N 1 2 336.838 4.186 20 10 EICDLO CC[C@@H]([NH2+][C@@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000274863608 1019804096 /nfs/dbraw/zinc/80/40/96/1019804096.db2.gz DGIYKMZWZLBRBB-IEBWSBKVSA-N 1 2 339.414 4.095 20 10 EICDLO CC(C)Oc1ccc(N(C)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC000759932303 1024930360 /nfs/dbraw/zinc/93/03/60/1024930360.db2.gz BEJOUVHCWSJKAX-UHFFFAOYSA-N 1 2 335.451 4.355 20 10 EICDLO CC[C@@H]([NH2+][C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000162555086 1025153349 /nfs/dbraw/zinc/15/33/49/1025153349.db2.gz UPOOMXAJBVAZPG-UXHICEINSA-N 1 2 349.482 4.009 20 10 EICDLO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708133877 1027407957 /nfs/dbraw/zinc/40/79/57/1027407957.db2.gz NSHGPXOEVAHVLQ-ZDUSSCGKSA-N 1 2 332.669 4.429 20 10 EICDLO CC(C)[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708133877 1027407964 /nfs/dbraw/zinc/40/79/64/1027407964.db2.gz NSHGPXOEVAHVLQ-ZDUSSCGKSA-N 1 2 332.669 4.429 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000177280684 1031538455 /nfs/dbraw/zinc/53/84/55/1031538455.db2.gz KHZGIUHJMYNABM-NSHDSACASA-N 1 2 333.815 4.147 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(O)c2)c1O ZINC000177280684 1031538474 /nfs/dbraw/zinc/53/84/74/1031538474.db2.gz KHZGIUHJMYNABM-NSHDSACASA-N 1 2 333.815 4.147 20 10 EICDLO Cc1cc(C)c(O)c(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000164439504 1036141636 /nfs/dbraw/zinc/14/16/36/1036141636.db2.gz GMNVYYPRZYYDNA-UHFFFAOYSA-N 1 2 330.375 4.116 20 10 EICDLO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)c1 ZINC000164439504 1036141649 /nfs/dbraw/zinc/14/16/49/1036141649.db2.gz GMNVYYPRZYYDNA-UHFFFAOYSA-N 1 2 330.375 4.116 20 10 EICDLO CC[C@H]([NH2+]Cc1cc(F)cnc1Cl)c1cccc(Cl)c1O ZINC000297342379 1042704346 /nfs/dbraw/zinc/70/43/46/1042704346.db2.gz ONMIKGQQSPCJGF-ZDUSSCGKSA-N 1 2 329.202 4.474 20 10 EICDLO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1cc(Br)cc(F)c1O ZINC001118238439 1045213342 /nfs/dbraw/zinc/21/33/42/1045213342.db2.gz IDKDJPJQQGUEIJ-GDPRMGEGSA-N 1 2 334.204 4.225 20 10 EICDLO COc1ccc(N(CCC(C)C)Cc2cc(OC)cc(C)[nH+]2)cc1 ZINC001169978494 1045695029 /nfs/dbraw/zinc/69/50/29/1045695029.db2.gz CIAJGRTXFHSNEP-UHFFFAOYSA-N 1 2 328.456 4.460 20 10 EICDLO C[C@H]1c2ccsc2CC[N@@H+]1Cc1cccc(Br)c1O ZINC000768209421 1045743287 /nfs/dbraw/zinc/74/32/87/1045743287.db2.gz QOIMCYWBXVAKBH-JTQLQIEISA-N 1 2 338.270 4.336 20 10 EICDLO C[C@H]1c2ccsc2CC[N@H+]1Cc1cccc(Br)c1O ZINC000768209421 1045743273 /nfs/dbraw/zinc/74/32/73/1045743273.db2.gz QOIMCYWBXVAKBH-JTQLQIEISA-N 1 2 338.270 4.336 20 10 EICDLO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000246990265 1045837109 /nfs/dbraw/zinc/83/71/09/1045837109.db2.gz KSEGXMKDHWHSOS-MGPUTAFESA-N 1 2 349.482 4.009 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174949 1045872387 /nfs/dbraw/zinc/87/23/87/1045872387.db2.gz OGRLQEAOXNVZHP-PSASIEDQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174949 1045872392 /nfs/dbraw/zinc/87/23/92/1045872392.db2.gz OGRLQEAOXNVZHP-PSASIEDQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174951 1045873435 /nfs/dbraw/zinc/87/34/35/1045873435.db2.gz OGRLQEAOXNVZHP-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174951 1045873446 /nfs/dbraw/zinc/87/34/46/1045873446.db2.gz OGRLQEAOXNVZHP-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](c1ccccc1)N(C)C ZINC000769989452 1046124139 /nfs/dbraw/zinc/12/41/39/1046124139.db2.gz NBNHRFSBUVOUHY-JCGVRSQUSA-N 1 2 334.410 4.012 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Br)cn1 ZINC000793333553 1046211781 /nfs/dbraw/zinc/21/17/81/1046211781.db2.gz MBSOYMDZTFFZKE-VIFPVBQESA-N 1 2 341.636 4.054 20 10 EICDLO CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)c1cccc(Cl)c1O ZINC000806133916 1047127535 /nfs/dbraw/zinc/12/75/35/1047127535.db2.gz FNCBBILSHQABES-KRWDZBQOSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@@H]([NH2+]CCn1c(C)nc2ccccc21)c1cccc(Cl)c1O ZINC000806127679 1047148869 /nfs/dbraw/zinc/14/88/69/1047148869.db2.gz IUGJBBGZLCKYQK-MRXNPFEDSA-N 1 2 343.858 4.445 20 10 EICDLO CC[C@@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(Cl)c1O ZINC000806140151 1047164783 /nfs/dbraw/zinc/16/47/83/1047164783.db2.gz UXXPODYETLNNAU-MRXNPFEDSA-N 1 2 332.831 4.115 20 10 EICDLO CC[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1O ZINC000806148669 1047173143 /nfs/dbraw/zinc/17/31/43/1047173143.db2.gz JQUOMIKQSLFDMB-GFCCVEGCSA-N 1 2 347.768 4.039 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@H](O)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806148814 1047173285 /nfs/dbraw/zinc/17/32/85/1047173285.db2.gz KUBDKPYPYLCPQD-JEBQAFNWSA-N 1 2 333.859 4.078 20 10 EICDLO CCc1ccc([C@@H](O)C[NH2+][C@@H](CC)c2cccc(Cl)c2O)cc1 ZINC000806165156 1047188191 /nfs/dbraw/zinc/18/81/91/1047188191.db2.gz DESFZBOSFZSSLA-ROUUACIJSA-N 1 2 333.859 4.382 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1O ZINC000806164674 1047189099 /nfs/dbraw/zinc/18/90/99/1047189099.db2.gz ANNWSHRXPYSAHP-QZTJIDSGSA-N 1 2 333.859 4.437 20 10 EICDLO CCc1ccc([C@@H](O)C[NH2+][C@H](CC)c2cccc(Cl)c2O)cc1 ZINC000806165153 1047189231 /nfs/dbraw/zinc/18/92/31/1047189231.db2.gz DESFZBOSFZSSLA-MSOLQXFVSA-N 1 2 333.859 4.382 20 10 EICDLO CC(C)[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000788622328 1047251577 /nfs/dbraw/zinc/25/15/77/1047251577.db2.gz QXBKXBJQMAZWIX-RZAIGCCYSA-N 1 2 335.394 4.079 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000789767947 1047469974 /nfs/dbraw/zinc/46/99/74/1047469974.db2.gz FSYCAZGEFJHJSI-OAHLLOKOSA-N 1 2 330.859 4.052 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000898219761 1047570215 /nfs/dbraw/zinc/57/02/15/1047570215.db2.gz LERYYOMEPBMNNZ-UHFFFAOYSA-N 1 2 333.787 4.384 20 10 EICDLO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898219520 1047570309 /nfs/dbraw/zinc/57/03/09/1047570309.db2.gz YQQVGNNTDOYMAT-CYBMUJFWSA-N 1 2 346.858 4.115 20 10 EICDLO COC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccc(Cl)c1 ZINC000808453954 1047920374 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EICDLO C[C@@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@@H]1C2(Cl)Cl ZINC000816603705 1048842231 /nfs/dbraw/zinc/84/22/31/1048842231.db2.gz NXRGWZNSPNBPIB-QWHCGFSZSA-N 1 2 338.637 4.200 20 10 EICDLO CCOc1ccc(CNc2ccc(-n3c[nH+]c(C)c3C)cc2)c(O)c1 ZINC000812784462 1049575538 /nfs/dbraw/zinc/57/55/38/1049575538.db2.gz PLDDXEBHSOFKAV-UHFFFAOYSA-N 1 2 337.423 4.206 20 10 EICDLO Cc1[nH+]cn(-c2ccc(NCc3cccc(Cl)c3O)cc2)c1C ZINC000812785567 1049576702 /nfs/dbraw/zinc/57/67/02/1049576702.db2.gz WUWQOULEDWPUBM-UHFFFAOYSA-N 1 2 327.815 4.460 20 10 EICDLO Cc1cc(NCc2cc3ccccc3cc2O)cc(OC(F)F)[nH+]1 ZINC001171406679 1049633753 /nfs/dbraw/zinc/63/37/53/1049633753.db2.gz CFAFCLQAVACMOP-UHFFFAOYSA-N 1 2 330.334 4.462 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H]1C1CCCC1 ZINC001179815990 1050786659 /nfs/dbraw/zinc/78/66/59/1050786659.db2.gz JNPSBEXKNXWMCT-BXUZGUMPSA-N 1 2 342.252 4.210 20 10 EICDLO C[N@@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CC=CCC1 ZINC001180310322 1050947799 /nfs/dbraw/zinc/94/77/99/1050947799.db2.gz DDOZCUPLNLFLGO-LLVKDONJSA-N 1 2 328.225 4.082 20 10 EICDLO C[N@H+](Cc1cc(Br)cc(F)c1O)C[C@@H]1CC=CCC1 ZINC001180310322 1050947806 /nfs/dbraw/zinc/94/78/06/1050947806.db2.gz DDOZCUPLNLFLGO-LLVKDONJSA-N 1 2 328.225 4.082 20 10 EICDLO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001181316340 1051206934 /nfs/dbraw/zinc/20/69/34/1051206934.db2.gz YPTMZOYXMPPUDF-FQEVSTJZSA-N 1 2 344.886 4.047 20 10 EICDLO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001181316340 1051206943 /nfs/dbraw/zinc/20/69/43/1051206943.db2.gz YPTMZOYXMPPUDF-FQEVSTJZSA-N 1 2 344.886 4.047 20 10 EICDLO C[C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN(Cc2ccccc2)C1 ZINC001184265914 1051981291 /nfs/dbraw/zinc/98/12/91/1051981291.db2.gz WPRQPNVDVASMLG-YJBOKZPZSA-N 1 2 344.886 4.046 20 10 EICDLO CC[C@@H]([NH2+]CCc1noc2ccccc21)c1cccc(Cl)c1O ZINC000850482067 1053252035 /nfs/dbraw/zinc/25/20/35/1053252035.db2.gz DSGYWOCSEBUBLQ-OAHLLOKOSA-N 1 2 330.815 4.470 20 10 EICDLO COCCC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000794822921 1053438233 /nfs/dbraw/zinc/43/82/33/1053438233.db2.gz DMVISQLMVLEGTN-PBHICJAKSA-N 1 2 349.421 4.359 20 10 EICDLO CCC[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000794830796 1053443373 /nfs/dbraw/zinc/44/33/73/1053443373.db2.gz LIXJLQDVQUBJQN-UYHISHBKSA-N 1 2 335.394 4.223 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(OC2CCCCC2)CC1 ZINC000775668689 1053466109 /nfs/dbraw/zinc/46/61/09/1053466109.db2.gz GZROOZFTMLBVDE-UHFFFAOYSA-N 1 2 341.854 4.498 20 10 EICDLO Cc1nc(C)c([C@@H](C)[N@H+](C)Cc2cc(Cl)cc(F)c2O)s1 ZINC000775685488 1053563230 /nfs/dbraw/zinc/56/32/30/1053563230.db2.gz OMJMFUHEEUQDTH-SECBINFHSA-N 1 2 328.840 4.451 20 10 EICDLO Cc1nc(C)c([C@@H](C)[N@@H+](C)Cc2cc(Cl)cc(F)c2O)s1 ZINC000775685488 1053563243 /nfs/dbraw/zinc/56/32/43/1053563243.db2.gz OMJMFUHEEUQDTH-SECBINFHSA-N 1 2 328.840 4.451 20 10 EICDLO CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775705261 1053623351 /nfs/dbraw/zinc/62/33/51/1053623351.db2.gz IBDVYMPDVMVRMH-GOSISDBHSA-N 1 2 333.859 4.065 20 10 EICDLO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775705261 1053623355 /nfs/dbraw/zinc/62/33/55/1053623355.db2.gz IBDVYMPDVMVRMH-GOSISDBHSA-N 1 2 333.859 4.065 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]2c2cncc(C)c2)c1O ZINC001197135805 1053835950 /nfs/dbraw/zinc/83/59/50/1053835950.db2.gz QBJSCSLKRXKRAR-SFHVURJKSA-N 1 2 344.842 4.289 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H]2c2cncc(C)c2)c1O ZINC001197135805 1053835952 /nfs/dbraw/zinc/83/59/52/1053835952.db2.gz QBJSCSLKRXKRAR-SFHVURJKSA-N 1 2 344.842 4.289 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(Cl)c1O ZINC000858449582 1054492925 /nfs/dbraw/zinc/49/29/25/1054492925.db2.gz OMFNMWZAAXGABL-CHWSQXEVSA-N 1 2 347.768 4.086 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1c(F)c(F)cc(F)c1F ZINC001200931778 1054580513 /nfs/dbraw/zinc/58/05/13/1054580513.db2.gz DBDYNXCRBAFPNA-UHFFFAOYSA-N 1 2 337.675 4.031 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(S(=O)(=O)C(C)C)cc2)cc1 ZINC001201498419 1054820780 /nfs/dbraw/zinc/82/07/80/1054820780.db2.gz XYVXRAHAWVRPCC-UHFFFAOYSA-N 1 2 332.469 4.433 20 10 EICDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)[C@@H]1c1ccncc1 ZINC000825998897 1055123665 /nfs/dbraw/zinc/12/36/65/1055123665.db2.gz XWAJPAVKKXRRCZ-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CCC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1O)C1CCC1 ZINC000715717777 1056705948 /nfs/dbraw/zinc/70/59/48/1056705948.db2.gz KJFSBFITNJPYDV-CQSZACIVSA-N 1 2 330.241 4.352 20 10 EICDLO C[N@H+](Cc1ccccc1O)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378371231 1022757714 /nfs/dbraw/zinc/75/77/14/1022757714.db2.gz ODVLDFSCRTXKQP-SFHVURJKSA-N 1 2 339.826 4.057 20 10 EICDLO C[N@@H+](Cc1ccccc1O)[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000378371231 1022757735 /nfs/dbraw/zinc/75/77/35/1022757735.db2.gz ODVLDFSCRTXKQP-SFHVURJKSA-N 1 2 339.826 4.057 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1cccc(Cl)c1O ZINC000377407727 1023517841 /nfs/dbraw/zinc/51/78/41/1023517841.db2.gz BQNZRBARTWXMSQ-PVUWLOKVSA-N 1 2 341.904 4.141 20 10 EICDLO CCN(C)c1ccc([C@@H](C)[NH2+][C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162498491 1025146117 /nfs/dbraw/zinc/14/61/17/1025146117.db2.gz KSEGXMKDHWHSOS-QRWLVFNGSA-N 1 2 349.482 4.009 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H](C)[C@H]1C ZINC000708074806 1026840700 /nfs/dbraw/zinc/84/07/00/1026840700.db2.gz GPHVAZXOTPYFLB-UTLUCORTSA-N 1 2 332.669 4.284 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2O)[C@@H](C)[C@H]1C ZINC000708074806 1026840701 /nfs/dbraw/zinc/84/07/01/1026840701.db2.gz GPHVAZXOTPYFLB-UTLUCORTSA-N 1 2 332.669 4.284 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(Cl)c1O ZINC000527966033 1031010307 /nfs/dbraw/zinc/01/03/07/1031010307.db2.gz ZNIOUWXCGDTHAM-INIZCTEOSA-N 1 2 329.831 4.173 20 10 EICDLO CC[C@H]([NH2+]Cc1ncc(-c2ccccc2)cn1)c1ccc(F)cc1O ZINC000375862622 1031387299 /nfs/dbraw/zinc/38/72/99/1031387299.db2.gz SRSAIGQCZYGVGJ-SFHVURJKSA-N 1 2 337.398 4.229 20 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/nfs/dbraw/zinc/28/85/95/1036288595.db2.gz ZPLMDXNRURVVSZ-UHFFFAOYSA-N 1 2 349.833 4.105 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000715725034 1043160346 /nfs/dbraw/zinc/16/03/46/1043160346.db2.gz MMKDEXAADANHQH-UHFFFAOYSA-N 1 2 328.225 4.060 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC2(CCCC2)C1 ZINC000715725034 1043160351 /nfs/dbraw/zinc/16/03/51/1043160351.db2.gz MMKDEXAADANHQH-UHFFFAOYSA-N 1 2 328.225 4.060 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000715752210 1043638157 /nfs/dbraw/zinc/63/81/57/1043638157.db2.gz GQQSHQKUSUMECC-RYUDHWBXSA-N 1 2 342.252 4.306 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000715752210 1043638170 /nfs/dbraw/zinc/63/81/70/1043638170.db2.gz GQQSHQKUSUMECC-RYUDHWBXSA-N 1 2 342.252 4.306 20 10 EICDLO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715788224 1044575645 /nfs/dbraw/zinc/57/56/45/1044575645.db2.gz IVQFTZXSRPLPLI-HZMBPMFUSA-N 1 2 330.241 4.352 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Br)c1O)C1CCC(F)(F)CC1 ZINC000709167928 1044834965 /nfs/dbraw/zinc/83/49/65/1044834965.db2.gz RAXUMORXXVLZQQ-SNVBAGLBSA-N 1 2 348.231 4.458 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000915361350 1045294015 /nfs/dbraw/zinc/29/40/15/1045294015.db2.gz TUCSXYXUJMWOOS-UHFFFAOYSA-N 1 2 329.488 4.450 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ncc(C(C)(C)C)o2)cc1 ZINC000915361350 1045294033 /nfs/dbraw/zinc/29/40/33/1045294033.db2.gz TUCSXYXUJMWOOS-UHFFFAOYSA-N 1 2 329.488 4.450 20 10 EICDLO COc1cccc(C[N@@H+](C)Cc2c(Cl)cccc2Cl)c1O ZINC000768334251 1045788225 /nfs/dbraw/zinc/78/82/25/1045788225.db2.gz CNFCCVWSKFVQEX-UHFFFAOYSA-N 1 2 326.223 4.340 20 10 EICDLO COc1cccc(C[N@H+](C)Cc2c(Cl)cccc2Cl)c1O ZINC000768334251 1045788207 /nfs/dbraw/zinc/78/82/07/1045788207.db2.gz CNFCCVWSKFVQEX-UHFFFAOYSA-N 1 2 326.223 4.340 20 10 EICDLO CCOc1ccc(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1 ZINC000769330830 1045923281 /nfs/dbraw/zinc/92/32/81/1045923281.db2.gz BCWJBBFSBBBEME-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c(O)c1 ZINC000769330830 1045923261 /nfs/dbraw/zinc/92/32/61/1045923261.db2.gz BCWJBBFSBBBEME-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333114 1045924771 /nfs/dbraw/zinc/92/47/71/1045924771.db2.gz OYFDEYXQTTUZPE-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@@H](c2ccccc2Cl)C1 ZINC000769333114 1045924780 /nfs/dbraw/zinc/92/47/80/1045924780.db2.gz OYFDEYXQTTUZPE-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO C[C@H]([NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc(F)cc(F)c1O ZINC000769989458 1046124167 /nfs/dbraw/zinc/12/41/67/1046124167.db2.gz NBNHRFSBUVOUHY-ZJNRKIDTSA-N 1 2 334.410 4.012 20 10 EICDLO Cn1c2ccccc2nc1C(C)(C)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000770665287 1046245899 /nfs/dbraw/zinc/24/58/99/1046245899.db2.gz PWZGZQHANHQOCQ-UHFFFAOYSA-N 1 2 347.821 4.096 20 10 EICDLO Cc1ccccc1[C@@H]([C@H](C)[NH2+]Cc1cccc(Cl)c1O)N(C)C ZINC000785989618 1046797684 /nfs/dbraw/zinc/79/76/84/1046797684.db2.gz VWDMOESDZSFRDO-KBXCAEBGSA-N 1 2 332.875 4.135 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc(Cl)c1O ZINC000806132862 1047124997 /nfs/dbraw/zinc/12/49/97/1047124997.db2.gz BSWNVNJXZRQOEM-SUMWQHHRSA-N 1 2 331.843 4.338 20 10 EICDLO CCCOc1ccc(C[NH2+][C@H](CC)c2cccc(Cl)c2O)cn1 ZINC000806137702 1047135243 /nfs/dbraw/zinc/13/52/43/1047135243.db2.gz MSMRFLKRPVYDJF-MRXNPFEDSA-N 1 2 334.847 4.470 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](c1ccccc1)N(C)C)c1cccc(Cl)c1O ZINC000806128721 1047147069 /nfs/dbraw/zinc/14/70/69/1047147069.db2.gz NWPSNAMFKWXCCP-QZTJIDSGSA-N 1 2 332.875 4.389 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1O ZINC000806129975 1047152468 /nfs/dbraw/zinc/15/24/68/1047152468.db2.gz NHCBRHIAQRXPRJ-JKSUJKDBSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cccc(Cl)c1O ZINC000806129748 1047152659 /nfs/dbraw/zinc/15/26/59/1047152659.db2.gz JGKHLSHANIZGNZ-SWLSCSKDSA-N 1 2 348.878 4.165 20 10 EICDLO CC[C@@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1O ZINC000806141044 1047165993 /nfs/dbraw/zinc/16/59/93/1047165993.db2.gz PFSGRZYTHLZPMD-WBVHZDCISA-N 1 2 331.847 4.262 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@@H](O)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806148815 1047172678 /nfs/dbraw/zinc/17/26/78/1047172678.db2.gz KUBDKPYPYLCPQD-KKXDTOCCSA-N 1 2 333.859 4.078 20 10 EICDLO CC[C@@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(Cl)c1O ZINC000806157924 1047180332 /nfs/dbraw/zinc/18/03/32/1047180332.db2.gz BZXRMNQXCYQBSQ-OAHLLOKOSA-N 1 2 329.831 4.173 20 10 EICDLO CC[C@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cccc(Cl)c1O ZINC000806159216 1047182570 /nfs/dbraw/zinc/18/25/70/1047182570.db2.gz ZVPZHDXUGWNXTI-DYVFJYSZSA-N 1 2 337.847 4.327 20 10 EICDLO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cc(Br)c(F)cc1O ZINC000806178377 1047201789 /nfs/dbraw/zinc/20/17/89/1047201789.db2.gz FYSIEVFLZUATAL-ZJUUUORDSA-N 1 2 348.281 4.088 20 10 EICDLO CC[N@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccc(N(C)C)cc1 ZINC000789719723 1047467147 /nfs/dbraw/zinc/46/71/47/1047467147.db2.gz BOIJUTZWVLKALV-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO CC[N@@H+](Cc1ncc(C(F)(F)F)s1)Cc1ccc(N(C)C)cc1 ZINC000789719723 1047467152 /nfs/dbraw/zinc/46/71/52/1047467152.db2.gz BOIJUTZWVLKALV-UHFFFAOYSA-N 1 2 343.418 4.250 20 10 EICDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000789780433 1047475947 /nfs/dbraw/zinc/47/59/47/1047475947.db2.gz VXJGBZJPUGDEFG-WMZOPIPTSA-N 1 2 337.822 4.033 20 10 EICDLO CC[C@@H]([NH2+][C@H](CCO)C1CCCCC1)c1cccc(Cl)c1O ZINC000806144297 1047971995 /nfs/dbraw/zinc/97/19/95/1047971995.db2.gz USPMARYYIGNHNF-IAGOWNOFSA-N 1 2 325.880 4.418 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054097 1048304793 /nfs/dbraw/zinc/30/47/93/1048304793.db2.gz GVIJHWYMPICMOX-HNNXBMFYSA-N 1 2 347.528 4.247 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cs1 ZINC000815054097 1048304810 /nfs/dbraw/zinc/30/48/10/1048304810.db2.gz GVIJHWYMPICMOX-HNNXBMFYSA-N 1 2 347.528 4.247 20 10 EICDLO CC(C)(CO)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000809655258 1048455807 /nfs/dbraw/zinc/45/58/07/1048455807.db2.gz GVDFUPBTFQTRMT-KRWDZBQOSA-N 1 2 337.822 4.034 20 10 EICDLO Cc1ccccc1[C@H](O)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000809703257 1048487677 /nfs/dbraw/zinc/48/76/77/1048487677.db2.gz OGLSENJDVQHEKC-LJQANCHMSA-N 1 2 345.870 4.300 20 10 EICDLO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000809710980 1048491620 /nfs/dbraw/zinc/49/16/20/1048491620.db2.gz FLXPCJCJEBLPLD-OAHLLOKOSA-N 1 2 347.842 4.098 20 10 EICDLO COc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000809710980 1048491625 /nfs/dbraw/zinc/49/16/25/1048491625.db2.gz FLXPCJCJEBLPLD-OAHLLOKOSA-N 1 2 347.842 4.098 20 10 EICDLO CC[C@H]([NH2+][C@H](CO)[C@@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000806145741 1048795619 /nfs/dbraw/zinc/79/56/19/1048795619.db2.gz GAZSFRNXQFFUNS-DOPJRALCSA-N 1 2 333.859 4.251 20 10 EICDLO CC(C)COC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1ccco1 ZINC000816544466 1048826738 /nfs/dbraw/zinc/82/67/38/1048826738.db2.gz JLTZEMUQVDJZBW-OAHLLOKOSA-N 1 2 341.810 4.281 20 10 EICDLO CC[C@H]([NH2+][C@H](c1ccccc1F)[C@H](C)O)c1cccc(Cl)c1O ZINC000846184172 1048837427 /nfs/dbraw/zinc/83/74/27/1048837427.db2.gz RHFPXYREDVUAAK-GOPGUHFVSA-N 1 2 337.822 4.348 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nccn1-c1ccccc1 ZINC000816611922 1048843464 /nfs/dbraw/zinc/84/34/64/1048843464.db2.gz APOUPQRVAJZIKB-GFCCVEGCSA-N 1 2 345.805 4.221 20 10 EICDLO CC1(C)C[N@H+](Cc2cc(Br)ccc2O)[C@H]1c1ccncc1 ZINC000816621897 1048845243 /nfs/dbraw/zinc/84/52/43/1048845243.db2.gz RKTDMLIVGINUNU-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2cc(Br)ccc2O)[C@H]1c1ccncc1 ZINC000816621897 1048845247 /nfs/dbraw/zinc/84/52/47/1048845247.db2.gz RKTDMLIVGINUNU-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO COc1ccc2c(c1)C1(CC1)C[N@@H+](Cc1cccc(Cl)c1O)C2 ZINC000811518601 1049107072 /nfs/dbraw/zinc/10/70/72/1049107072.db2.gz MINJWHOURFHEQH-UHFFFAOYSA-N 1 2 329.827 4.102 20 10 EICDLO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(Cl)c1O)C2 ZINC000811518601 1049107079 /nfs/dbraw/zinc/10/70/79/1049107079.db2.gz MINJWHOURFHEQH-UHFFFAOYSA-N 1 2 329.827 4.102 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CN(C)Cc2ccccc21)c1cccc(Cl)c1O ZINC000806149557 1049603622 /nfs/dbraw/zinc/60/36/22/1049603622.db2.gz VMWPPESBBMJYIV-ZWKOTPCHSA-N 1 2 330.859 4.273 20 10 EICDLO CC(C)([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccccc1[N+](=O)[O-] ZINC000813792132 1049817796 /nfs/dbraw/zinc/81/77/96/1049817796.db2.gz QQQQRCDQKLQIRQ-UHFFFAOYSA-N 1 2 338.766 4.118 20 10 EICDLO CCC(F)(F)C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC001179165124 1050644731 /nfs/dbraw/zinc/64/47/31/1050644731.db2.gz KUZFHMZSUJQQIX-UHFFFAOYSA-N 1 2 330.422 4.384 20 10 EICDLO COc1ccccc1C[N@@H+](C)Cc1c(O)ccc(Cl)c1Cl ZINC001237082815 1050661477 /nfs/dbraw/zinc/66/14/77/1050661477.db2.gz VDZOLECOMNILNE-UHFFFAOYSA-N 1 2 326.223 4.340 20 10 EICDLO COc1c(Cl)cccc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001179690413 1050749309 /nfs/dbraw/zinc/74/93/09/1050749309.db2.gz FZBCJBITEQKXMR-UHFFFAOYSA-N 1 2 330.186 4.137 20 10 EICDLO C[C@@H]1SCC[N@H+](Cc2ccc(F)c(F)c2O)[C@@H]1c1ccccc1 ZINC001179938942 1050823331 /nfs/dbraw/zinc/82/33/31/1050823331.db2.gz ZVGHYZKCEIHGTG-SJCJKPOMSA-N 1 2 335.419 4.349 20 10 EICDLO C[C@@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2O)[C@@H]1c1ccccc1 ZINC001179938942 1050823336 /nfs/dbraw/zinc/82/33/36/1050823336.db2.gz ZVGHYZKCEIHGTG-SJCJKPOMSA-N 1 2 335.419 4.349 20 10 EICDLO COc1cccc(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)c1 ZINC001179967106 1050850108 /nfs/dbraw/zinc/85/01/08/1050850108.db2.gz YDWYULXONHGCSL-INIZCTEOSA-N 1 2 349.833 4.400 20 10 EICDLO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)c1 ZINC001179967106 1050850116 /nfs/dbraw/zinc/85/01/16/1050850116.db2.gz YDWYULXONHGCSL-INIZCTEOSA-N 1 2 349.833 4.400 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC001180175480 1050895146 /nfs/dbraw/zinc/89/51/46/1050895146.db2.gz VGICUWFMJJIMNF-QGZVFWFLSA-N 1 2 349.833 4.366 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](Cc1ccccc1)C[C@H]1CCCO1 ZINC001180175480 1050895149 /nfs/dbraw/zinc/89/51/49/1050895149.db2.gz VGICUWFMJJIMNF-QGZVFWFLSA-N 1 2 349.833 4.366 20 10 EICDLO COc1cc(Cl)cc(C[NH2+]CC(F)(F)c2ccccc2C)c1O ZINC001183074687 1051774982 /nfs/dbraw/zinc/77/49/82/1051774982.db2.gz JBXVKZPLEUBCSL-UHFFFAOYSA-N 1 2 341.785 4.244 20 10 EICDLO C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185469438 1052610838 /nfs/dbraw/zinc/61/08/38/1052610838.db2.gz VQBLCFOMKHZVQV-HZPDHXFCSA-N 1 2 342.458 4.408 20 10 EICDLO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c(O)c1 ZINC000185667145 1052672468 /nfs/dbraw/zinc/67/24/68/1052672468.db2.gz OWINQGIEUDZGQR-HUUCEWRRSA-N 1 2 337.423 4.086 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(OC2CC2)c1F ZINC000850365166 1053140377 /nfs/dbraw/zinc/14/03/77/1053140377.db2.gz GRFODEVFPKDIRI-UHFFFAOYSA-N 1 2 339.769 4.155 20 10 EICDLO COc1cccc(C2([NH2+][C@@H](C)c3cc(F)cc(F)c3O)CCC2)c1 ZINC000850565984 1053320283 /nfs/dbraw/zinc/32/02/83/1053320283.db2.gz IVWPCPJTJGLTQS-LBPRGKRZSA-N 1 2 333.378 4.409 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000775647587 1053341173 /nfs/dbraw/zinc/34/11/73/1053341173.db2.gz YRGMKBMLORQTKJ-MRXNPFEDSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000775647587 1053341186 /nfs/dbraw/zinc/34/11/86/1053341186.db2.gz YRGMKBMLORQTKJ-MRXNPFEDSA-N 1 2 345.826 4.154 20 10 EICDLO O=[N+]([O-])c1ccc(C[N@H+](Cc2cccc(Cl)c2O)C2CC2)cc1 ZINC000775651502 1053396859 /nfs/dbraw/zinc/39/68/59/1053396859.db2.gz PFORRAVPMZNYKG-UHFFFAOYSA-N 1 2 332.787 4.118 20 10 EICDLO COc1ccc(O)c(C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000775655562 1053411544 /nfs/dbraw/zinc/41/15/44/1053411544.db2.gz GNAZWUBMKHNFCN-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO COc1ccc(O)c(C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1 ZINC000775655562 1053411554 /nfs/dbraw/zinc/41/15/54/1053411554.db2.gz GNAZWUBMKHNFCN-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775670453 1053466509 /nfs/dbraw/zinc/46/65/09/1053466509.db2.gz ZHKNVSWIBVLXFO-HKUYNNGSSA-N 1 2 331.843 4.134 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775670453 1053466515 /nfs/dbraw/zinc/46/65/15/1053466515.db2.gz ZHKNVSWIBVLXFO-HKUYNNGSSA-N 1 2 331.843 4.134 20 10 EICDLO CCOc1ccc([N@H+](CC)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851829303 1053523630 /nfs/dbraw/zinc/52/36/30/1053523630.db2.gz HJDOCFDZEUFRGT-KRWDZBQOSA-N 1 2 346.515 4.196 20 10 EICDLO CCOc1ccc([N@@H+](CC)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1 ZINC000851829303 1053523640 /nfs/dbraw/zinc/52/36/40/1053523640.db2.gz HJDOCFDZEUFRGT-KRWDZBQOSA-N 1 2 346.515 4.196 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000775733772 1053713120 /nfs/dbraw/zinc/71/31/20/1053713120.db2.gz HZVCNXDTSVVVLH-GOSISDBHSA-N 1 2 345.870 4.269 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC[C@@H](OCCCc2ccccc2)C1 ZINC000775733772 1053713133 /nfs/dbraw/zinc/71/31/33/1053713133.db2.gz HZVCNXDTSVVVLH-GOSISDBHSA-N 1 2 345.870 4.269 20 10 EICDLO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858146717 1054425060 /nfs/dbraw/zinc/42/50/60/1054425060.db2.gz MQAPPZXPIMFFSV-NSHDSACASA-N 1 2 338.373 4.029 20 10 EICDLO CN(C)c1ccc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775989272 1054427629 /nfs/dbraw/zinc/42/76/29/1054427629.db2.gz GRMGBUMDRVNTJM-LJQANCHMSA-N 1 2 348.849 4.119 20 10 EICDLO CN(C)c1ccc(C[N@H+]2CCO[C@@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775989272 1054427637 /nfs/dbraw/zinc/42/76/37/1054427637.db2.gz GRMGBUMDRVNTJM-LJQANCHMSA-N 1 2 348.849 4.119 20 10 EICDLO COCCC1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCCCC1 ZINC000776013277 1054440065 /nfs/dbraw/zinc/44/00/65/1054440065.db2.gz FDUBIGSFPJJXJO-UHFFFAOYSA-N 1 2 329.843 4.261 20 10 EICDLO Cc1cc(C[NH2+]Cc2nn(C)c(C)c2Cl)c(C)n1-c1ccccc1 ZINC000858294785 1054455096 /nfs/dbraw/zinc/45/50/96/1054455096.db2.gz OBWGTAKRVUVPER-UHFFFAOYSA-N 1 2 342.874 4.079 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000776041546 1054503599 /nfs/dbraw/zinc/50/35/99/1054503599.db2.gz LDTLBRAZQKVWSL-HNNXBMFYSA-N 1 2 339.769 4.327 20 10 EICDLO CC(C)COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000776151397 1054741612 /nfs/dbraw/zinc/74/16/12/1054741612.db2.gz LTJHPINQMSYUFH-HNNXBMFYSA-N 1 2 341.810 4.281 20 10 EICDLO Cc1csc(C2([NH2+]Cc3cc(Cl)cc(F)c3O)CCC2)n1 ZINC000776157502 1054764669 /nfs/dbraw/zinc/76/46/69/1054764669.db2.gz CANSSRLJLVXJDP-UHFFFAOYSA-N 1 2 326.824 4.119 20 10 EICDLO COc1cc(Nc2ccc([NH2+]C(C)C)cc2)ccc1OC1COC1 ZINC001201498724 1054820239 /nfs/dbraw/zinc/82/02/39/1054820239.db2.gz DOGBDDYLEUBFSI-UHFFFAOYSA-N 1 2 328.412 4.037 20 10 EICDLO CC(C)Nc1ccc(Nc2ccccc2C[NH+]2CCOCC2)cc1 ZINC001201497099 1054821043 /nfs/dbraw/zinc/82/10/43/1054821043.db2.gz CJVDRYFJBUJGQQ-UHFFFAOYSA-N 1 2 325.456 4.083 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1COc2c1cccc2Cl ZINC000776251237 1055059262 /nfs/dbraw/zinc/05/92/62/1055059262.db2.gz RSOWYTICDGRMOA-ZDUSSCGKSA-N 1 2 328.170 4.061 20 10 EICDLO Oc1cc(F)c(Br)cc1C[NH+]1CC2(C1)CCCCC2 ZINC001144306852 1048581699 /nfs/dbraw/zinc/58/16/99/1048581699.db2.gz UHZCPIDMORIBSF-UHFFFAOYSA-N 1 2 328.225 4.060 20 10 EICDLO CCOc1ccc(O)c(C[NH2+][C@H](C)c2nc(C3CCCCC3)no2)c1 ZINC000237091149 1032844648 /nfs/dbraw/zinc/84/46/48/1032844648.db2.gz JQHSVTYNMDGCFT-CYBMUJFWSA-N 1 2 345.443 4.072 20 10 EICDLO C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1O ZINC000185469420 1023045308 /nfs/dbraw/zinc/04/53/08/1023045308.db2.gz VQBLCFOMKHZVQV-CVEARBPZSA-N 1 2 342.458 4.408 20 10 EICDLO C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185469420 1023045317 /nfs/dbraw/zinc/04/53/17/1023045317.db2.gz VQBLCFOMKHZVQV-CVEARBPZSA-N 1 2 342.458 4.408 20 10 EICDLO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000278812734 1023484414 /nfs/dbraw/zinc/48/44/14/1023484414.db2.gz RZTKPCRMBBCFKF-RNFRBKRXSA-N 1 2 332.256 4.271 20 10 EICDLO C[N@@H+](Cc1c(O)ccc2cc(Br)ccc21)CC(F)F ZINC000728901628 1026324488 /nfs/dbraw/zinc/32/44/88/1026324488.db2.gz XQBGIWFLPSODJP-UHFFFAOYSA-N 1 2 330.172 4.005 20 10 EICDLO C[N@H+](Cc1c(O)ccc2cc(Br)ccc21)CC(F)F ZINC000728901628 1026324499 /nfs/dbraw/zinc/32/44/99/1026324499.db2.gz XQBGIWFLPSODJP-UHFFFAOYSA-N 1 2 330.172 4.005 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000896226180 1027346499 /nfs/dbraw/zinc/34/64/99/1027346499.db2.gz CWBKXRSEJIOKBI-LBPRGKRZSA-N 1 2 341.707 4.051 20 10 EICDLO Cc1cccn2c(C=C3SC(Nc4ccccc4C)=NC3=O)c[nH+]c12 ZINC000303819247 1027669005 /nfs/dbraw/zinc/66/90/05/1027669005.db2.gz FGGIVRIKFNPBNM-MHWRWJLKSA-N 1 2 348.431 4.034 20 10 EICDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)[nH]1 ZINC000278160494 1028340059 /nfs/dbraw/zinc/34/00/59/1028340059.db2.gz AWSHSAREKOXCGT-BDAKNGLRSA-N 1 2 343.258 4.352 20 10 EICDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273417930 1037460586 /nfs/dbraw/zinc/46/05/86/1037460586.db2.gz RFOZDBGWSAKRHT-KUHUBIRLSA-N 1 2 339.414 4.013 20 10 EICDLO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1cc(Br)cc(F)c1O ZINC000760045131 1042996827 /nfs/dbraw/zinc/99/68/27/1042996827.db2.gz DHHODMSYTUDQOA-RNCFNFMXSA-N 1 2 328.225 4.277 20 10 EICDLO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715788236 1044574228 /nfs/dbraw/zinc/57/42/28/1044574228.db2.gz IVQFTZXSRPLPLI-YGRLFVJLSA-N 1 2 330.241 4.352 20 10 EICDLO COc1ccc(N(Cc2ccccc2)Cc2cc[nH+]c(N(C)C)c2)cc1 ZINC001168024599 1044620469 /nfs/dbraw/zinc/62/04/69/1044620469.db2.gz BWBIIUGJGJAJDH-UHFFFAOYSA-N 1 2 347.462 4.363 20 10 EICDLO Cc1cc(N(C)Cc2ccc(N3CCCCC3)cc2)nc(C2CC2)[nH+]1 ZINC000734834772 1044695971 /nfs/dbraw/zinc/69/59/71/1044695971.db2.gz HXPOVRPBASKWPI-UHFFFAOYSA-N 1 2 336.483 4.289 20 10 EICDLO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1cc(Br)cc(F)c1O ZINC001118238442 1045210688 /nfs/dbraw/zinc/21/06/88/1045210688.db2.gz IDKDJPJQQGUEIJ-LSJOCFKGSA-N 1 2 334.204 4.225 20 10 EICDLO CC[N@H+](Cc1occc1Br)Cc1ccc(N(C)C)cc1 ZINC000768134297 1045723126 /nfs/dbraw/zinc/72/31/26/1045723126.db2.gz RWCAVXJQTDKNTM-UHFFFAOYSA-N 1 2 337.261 4.130 20 10 EICDLO CC[N@@H+](Cc1occc1Br)Cc1ccc(N(C)C)cc1 ZINC000768134297 1045723138 /nfs/dbraw/zinc/72/31/38/1045723138.db2.gz RWCAVXJQTDKNTM-UHFFFAOYSA-N 1 2 337.261 4.130 20 10 EICDLO Oc1ccc(Cl)cc1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768373398 1045802361 /nfs/dbraw/zinc/80/23/61/1045802361.db2.gz FAIMZEKZLLIUDP-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1ccc(Cl)cc1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768373398 1045802364 /nfs/dbraw/zinc/80/23/64/1045802364.db2.gz FAIMZEKZLLIUDP-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO CCc1ccc(-c2noc([C@H](C)[NH2+]Cc3ccc4c(c3)CCO4)n2)cc1 ZINC000792181614 1045874280 /nfs/dbraw/zinc/87/42/80/1045874280.db2.gz SOWSRLGEURMPLW-AWEZNQCLSA-N 1 2 349.434 4.085 20 10 EICDLO c1cn(-c2ccc(NCc3ccc(N4CCCCC4)cc3)cc2)c[nH+]1 ZINC000916841039 1046385520 /nfs/dbraw/zinc/38/55/20/1046385520.db2.gz WYBBVNGPKZWHEM-UHFFFAOYSA-N 1 2 332.451 4.475 20 10 EICDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccc(Cl)cc1 ZINC000787302912 1046987445 /nfs/dbraw/zinc/98/74/45/1046987445.db2.gz MVYVINXXNUMTJB-HNNXBMFYSA-N 1 2 344.213 4.315 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1O ZINC000805750836 1047004066 /nfs/dbraw/zinc/00/40/66/1047004066.db2.gz VSXHWDDAQOWNSC-KZULUSFZSA-N 1 2 344.842 4.226 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)c1O ZINC000805750836 1047004083 /nfs/dbraw/zinc/00/40/83/1047004083.db2.gz VSXHWDDAQOWNSC-KZULUSFZSA-N 1 2 344.842 4.226 20 10 EICDLO CC[C@H]([NH2+][C@@H](COC)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806141267 1047167674 /nfs/dbraw/zinc/16/76/74/1047167674.db2.gz HJMYRTXLUZTPPZ-QAPCUYQASA-N 1 2 333.859 4.344 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806141209 1047167810 /nfs/dbraw/zinc/16/78/10/1047167810.db2.gz QHHWIYABQUSCCJ-GOPGUHFVSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)c1ccccc1Cl)c1cccc(Cl)c1O ZINC000806147021 1047170186 /nfs/dbraw/zinc/17/01/86/1047170186.db2.gz SISWJZUYCBNWCE-JKSUJKDBSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)c1cccc(Cl)c1O ZINC000806150077 1047173030 /nfs/dbraw/zinc/17/30/30/1047173030.db2.gz KTHRVBKQTFGVKB-NHIYQJMISA-N 1 2 343.945 4.466 20 10 EICDLO CC[C@@H]([NH2+][C@H](CCOC)Cc1ccco1)c1cccc(Cl)c1O ZINC000806159215 1047183128 /nfs/dbraw/zinc/18/31/28/1047183128.db2.gz ZVPZHDXUGWNXTI-CXAGYDPISA-N 1 2 337.847 4.327 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1O ZINC000806161685 1047184347 /nfs/dbraw/zinc/18/43/47/1047184347.db2.gz MANNKTXBHKYQKU-GOEBONIOSA-N 1 2 335.879 4.260 20 10 EICDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)cc(Cl)c1OC ZINC000898219205 1047568631 /nfs/dbraw/zinc/56/86/31/1047568631.db2.gz COYIKWRHSPPFMZ-UHFFFAOYSA-N 1 2 342.222 4.006 20 10 EICDLO CC(C)(CO)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC000809655259 1048456392 /nfs/dbraw/zinc/45/63/92/1048456392.db2.gz GVDFUPBTFQTRMT-QGZVFWFLSA-N 1 2 337.822 4.034 20 10 EICDLO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccc(F)nc2)cc1 ZINC000809731597 1048480138 /nfs/dbraw/zinc/48/01/38/1048480138.db2.gz KRXVYOCRFNHDAL-UHFFFAOYSA-N 1 2 339.414 4.082 20 10 EICDLO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccc(F)nc2)cc1 ZINC000809731597 1048480181 /nfs/dbraw/zinc/48/01/81/1048480181.db2.gz KRXVYOCRFNHDAL-UHFFFAOYSA-N 1 2 339.414 4.082 20 10 EICDLO CCc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc3ccccc3c2O)no1 ZINC000816494515 1048815725 /nfs/dbraw/zinc/81/57/25/1048815725.db2.gz OPCHKOAPOUUVOC-KRWDZBQOSA-N 1 2 337.423 4.218 20 10 EICDLO CCc1nc([C@@H]2CCCC[N@H+]2Cc2ccc3ccccc3c2O)no1 ZINC000816494515 1048815735 /nfs/dbraw/zinc/81/57/35/1048815735.db2.gz OPCHKOAPOUUVOC-KRWDZBQOSA-N 1 2 337.423 4.218 20 10 EICDLO COc1c(C)c[nH+]c(CNC(=S)Nc2cccc(C(C)C)c2)c1C ZINC000747618972 1048833015 /nfs/dbraw/zinc/83/30/15/1048833015.db2.gz OFJRITMADJBFGH-UHFFFAOYSA-N 1 2 343.496 4.317 20 10 EICDLO COCc1cc[nH+]c(N[C@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000846213276 1048841033 /nfs/dbraw/zinc/84/10/33/1048841033.db2.gz QYKWNGSNNNOFGS-SECBINFHSA-N 1 2 327.211 4.414 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1O ZINC000805750837 1049525867 /nfs/dbraw/zinc/52/58/67/1049525867.db2.gz VSXHWDDAQOWNSC-SGTLLEGYSA-N 1 2 344.842 4.226 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@H]2c2cccnc2)c1O ZINC000805750837 1049525881 /nfs/dbraw/zinc/52/58/81/1049525881.db2.gz VSXHWDDAQOWNSC-SGTLLEGYSA-N 1 2 344.842 4.226 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C1(c2ccccc2)CC1 ZINC001177702996 1050283220 /nfs/dbraw/zinc/28/32/20/1050283220.db2.gz UPJITIHBIJFPFY-UHFFFAOYSA-N 1 2 336.204 4.073 20 10 EICDLO CCN(C)c1ccc(C[N@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000773755718 1050513626 /nfs/dbraw/zinc/51/36/26/1050513626.db2.gz WHIDNIZCUPQLMT-UHFFFAOYSA-N 1 2 348.494 4.020 20 10 EICDLO CCN(C)c1ccc(C[N@@H+](C)Cc2nccn2Cc2ccccc2)cc1 ZINC000773755718 1050513629 /nfs/dbraw/zinc/51/36/29/1050513629.db2.gz WHIDNIZCUPQLMT-UHFFFAOYSA-N 1 2 348.494 4.020 20 10 EICDLO Oc1ccc(Cl)c(Cl)c1C[N@@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237077761 1050640638 /nfs/dbraw/zinc/64/06/38/1050640638.db2.gz KGYXKTAMIMVZEP-VXNVDRBHSA-N 1 2 346.151 4.279 20 10 EICDLO Oc1ccc(Cl)c(Cl)c1C[N@H+]1C[C@@H](CF)[C@H](C(F)(F)F)C1 ZINC001237077761 1050640641 /nfs/dbraw/zinc/64/06/41/1050640641.db2.gz KGYXKTAMIMVZEP-VXNVDRBHSA-N 1 2 346.151 4.279 20 10 EICDLO Cc1ccc(C2CC([NH2+]Cc3cccc(Br)c3O)C2)cc1 ZINC000775151654 1050642106 /nfs/dbraw/zinc/64/21/06/1050642106.db2.gz IQRIDBJUNIRALR-UHFFFAOYSA-N 1 2 346.268 4.499 20 10 EICDLO CCCCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961648 1050847708 /nfs/dbraw/zinc/84/77/08/1050847708.db2.gz GWZSSMWHUUCXKC-CVEARBPZSA-N 1 2 325.880 4.461 20 10 EICDLO CCCCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961648 1050847710 /nfs/dbraw/zinc/84/77/10/1050847710.db2.gz GWZSSMWHUUCXKC-CVEARBPZSA-N 1 2 325.880 4.461 20 10 EICDLO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)CCN1Cc1ccccc1 ZINC001180088507 1050863714 /nfs/dbraw/zinc/86/37/14/1050863714.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 1 2 344.886 4.142 20 10 EICDLO C[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2O)CCN1Cc1ccccc1 ZINC001180088507 1050863724 /nfs/dbraw/zinc/86/37/24/1050863724.db2.gz ZKQBZBLYYUQNDD-INIZCTEOSA-N 1 2 344.886 4.142 20 10 EICDLO O=C1c2ccccc2C(=O)c2cc(Nc3cc[nH+]c4[nH]ccc43)ccc21 ZINC001174411044 1050985140 /nfs/dbraw/zinc/98/51/40/1050985140.db2.gz GCAWRMATBODANL-UHFFFAOYSA-N 1 2 339.354 4.034 20 10 EICDLO Cc1ccccc1[C@]1(F)CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181196105 1051178695 /nfs/dbraw/zinc/17/86/95/1051178695.db2.gz ITQRYDLQOOOBJN-FQEVSTJZSA-N 1 2 348.412 4.410 20 10 EICDLO Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC001181196105 1051178709 /nfs/dbraw/zinc/17/87/09/1051178709.db2.gz ITQRYDLQOOOBJN-FQEVSTJZSA-N 1 2 348.412 4.410 20 10 EICDLO Cc1cc(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)ccc1N(C)C ZINC001190925557 1051301874 /nfs/dbraw/zinc/30/18/74/1051301874.db2.gz SGVIZSFQUIVPPW-FQEVSTJZSA-N 1 2 344.886 4.288 20 10 EICDLO Cc1cc(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)ccc1N(C)C ZINC001190925557 1051301888 /nfs/dbraw/zinc/30/18/88/1051301888.db2.gz SGVIZSFQUIVPPW-FQEVSTJZSA-N 1 2 344.886 4.288 20 10 EICDLO CC1(C2CC2)CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC001182128211 1051396607 /nfs/dbraw/zinc/39/66/07/1051396607.db2.gz RRHFUAPKCGPMLI-UHFFFAOYSA-N 1 2 342.252 4.306 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)c1cscn1 ZINC000850511440 1053270413 /nfs/dbraw/zinc/27/04/13/1053270413.db2.gz FBTRHYVCYFQBEV-HTQZYQBOSA-N 1 2 345.237 4.162 20 10 EICDLO Cc1ccc(N2CCC[N@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775634795 1053260154 /nfs/dbraw/zinc/26/01/54/1053260154.db2.gz YKVFWEVCQANVOR-UHFFFAOYSA-N 1 2 330.859 4.066 20 10 EICDLO Cc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775634795 1053260174 /nfs/dbraw/zinc/26/01/74/1053260174.db2.gz YKVFWEVCQANVOR-UHFFFAOYSA-N 1 2 330.859 4.066 20 10 EICDLO CC[C@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1O ZINC000850513614 1053274178 /nfs/dbraw/zinc/27/41/78/1053274178.db2.gz HPKQWAUCMZVPGW-ZWKOTPCHSA-N 1 2 349.858 4.483 20 10 EICDLO C[N@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643332 1053305728 /nfs/dbraw/zinc/30/57/28/1053305728.db2.gz UTSIALPBDPDMJX-UHFFFAOYSA-N 1 2 345.748 4.418 20 10 EICDLO C[N@@H+](Cc1ccc(OC(F)F)cc1)Cc1cc(Cl)cc(F)c1O ZINC000775643332 1053305747 /nfs/dbraw/zinc/30/57/47/1053305747.db2.gz UTSIALPBDPDMJX-UHFFFAOYSA-N 1 2 345.748 4.418 20 10 EICDLO COc1ccc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)c(OC)c1 ZINC000775646960 1053344232 /nfs/dbraw/zinc/34/42/32/1053344232.db2.gz NFODRPKMMVNXLU-QGZVFWFLSA-N 1 2 347.842 4.400 20 10 EICDLO COc1ccc([C@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)c(OC)c1 ZINC000775646960 1053344250 /nfs/dbraw/zinc/34/42/50/1053344250.db2.gz NFODRPKMMVNXLU-QGZVFWFLSA-N 1 2 347.842 4.400 20 10 EICDLO Cc1ccc(C)n1C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775667198 1053451114 /nfs/dbraw/zinc/45/11/14/1053451114.db2.gz FJKNYSDVHISSKZ-UHFFFAOYSA-N 1 2 336.838 4.440 20 10 EICDLO CCC[N@H+](Cc1cccc(Cl)c1O)[C@H](C)C(=O)Nc1ccccc1 ZINC000775668282 1053457057 /nfs/dbraw/zinc/45/70/57/1053457057.db2.gz VXHNPLJHMOSKMD-CQSZACIVSA-N 1 2 346.858 4.285 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775669849 1053476989 /nfs/dbraw/zinc/47/69/89/1053476989.db2.gz RDQMDNHSOCLVOF-HKUYNNGSSA-N 1 2 349.833 4.273 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000775669849 1053476994 /nfs/dbraw/zinc/47/69/94/1053476994.db2.gz RDQMDNHSOCLVOF-HKUYNNGSSA-N 1 2 349.833 4.273 20 10 EICDLO Cc1nc(C)c([C@H](C)[N@H+](C)Cc2cc(Cl)cc(F)c2O)s1 ZINC000775685489 1053564679 /nfs/dbraw/zinc/56/46/79/1053564679.db2.gz OMJMFUHEEUQDTH-VIFPVBQESA-N 1 2 328.840 4.451 20 10 EICDLO Cc1nc(C)c([C@H](C)[N@@H+](C)Cc2cc(Cl)cc(F)c2O)s1 ZINC000775685489 1053564686 /nfs/dbraw/zinc/56/46/86/1053564686.db2.gz OMJMFUHEEUQDTH-VIFPVBQESA-N 1 2 328.840 4.451 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000775717299 1053671298 /nfs/dbraw/zinc/67/12/98/1053671298.db2.gz ARKZTJFLLWZBEO-OAHLLOKOSA-N 1 2 327.827 4.108 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000775717299 1053671301 /nfs/dbraw/zinc/67/13/01/1053671301.db2.gz ARKZTJFLLWZBEO-OAHLLOKOSA-N 1 2 327.827 4.108 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1F ZINC001198901102 1054294522 /nfs/dbraw/zinc/29/45/22/1054294522.db2.gz POSHSTKSILYAOX-UHFFFAOYSA-N 1 2 343.826 4.347 20 10 EICDLO CCc1nc([C@@H](C)[NH2+]Cc2c(O)cccc2Br)cs1 ZINC000858134178 1054420290 /nfs/dbraw/zinc/42/02/90/1054420290.db2.gz LJGCEOSVSPGSNE-SECBINFHSA-N 1 2 341.274 4.024 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(Cl)c1O ZINC000858449583 1054493595 /nfs/dbraw/zinc/49/35/95/1054493595.db2.gz OMFNMWZAAXGABL-OLZOCXBDSA-N 1 2 347.768 4.086 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000776041547 1054502528 /nfs/dbraw/zinc/50/25/28/1054502528.db2.gz LDTLBRAZQKVWSL-OAHLLOKOSA-N 1 2 339.769 4.327 20 10 EICDLO CC(C)COC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1ccco1 ZINC000776151398 1054741106 /nfs/dbraw/zinc/74/11/06/1054741106.db2.gz LTJHPINQMSYUFH-OAHLLOKOSA-N 1 2 341.810 4.281 20 10 EICDLO Cc1cc(NCc2ccc(N3CCCC3)cc2)ccc1-n1cc[nH+]c1 ZINC001201358178 1054758643 /nfs/dbraw/zinc/75/86/43/1054758643.db2.gz YXMCSDBTSCVLME-UHFFFAOYSA-N 1 2 332.451 4.393 20 10 EICDLO CCc1noc(C[N@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000119281023 1055152918 /nfs/dbraw/zinc/15/29/18/1055152918.db2.gz BOLVEKKVXHBLMK-HNNXBMFYSA-N 1 2 337.423 4.101 20 10 EICDLO CCc1noc(C[N@@H+](Cc2ccccc2O)[C@@H](C)c2ccccc2)n1 ZINC000119281023 1055152922 /nfs/dbraw/zinc/15/29/22/1055152922.db2.gz BOLVEKKVXHBLMK-HNNXBMFYSA-N 1 2 337.423 4.101 20 10 EICDLO C[NH2+]c1ccc(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000863646339 1055264552 /nfs/dbraw/zinc/26/45/52/1055264552.db2.gz JVPHQVUIADKGAZ-UHFFFAOYSA-N 1 2 340.427 4.239 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)Cc2cc(C)ccc2F)c1O ZINC001169820264 1060987345 /nfs/dbraw/zinc/98/73/45/1060987345.db2.gz ALGGEVJXRMTKAI-UHFFFAOYSA-N 1 2 335.806 4.328 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)Cc2cc(C)ccc2F)c1O ZINC001169820264 1060987365 /nfs/dbraw/zinc/98/73/65/1060987365.db2.gz ALGGEVJXRMTKAI-UHFFFAOYSA-N 1 2 335.806 4.328 20 10 EICDLO CC[C@H]([NH2+][C@H](c1nccn1C)c1ccccc1F)c1ccccc1O ZINC000274863604 1019803268 /nfs/dbraw/zinc/80/32/68/1019803268.db2.gz DGIYKMZWZLBRBB-HKUYNNGSSA-N 1 2 339.414 4.095 20 10 EICDLO C[C@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756620886 1023806090 /nfs/dbraw/zinc/80/60/90/1023806090.db2.gz OEQSABYOELANKQ-LBPRGKRZSA-N 1 2 343.414 4.223 20 10 EICDLO C[C@@H]([NH2+]CCCCCC(=O)OC(C)(C)C)c1cc(F)cc(F)c1O ZINC000756620884 1023806772 /nfs/dbraw/zinc/80/67/72/1023806772.db2.gz OEQSABYOELANKQ-GFCCVEGCSA-N 1 2 343.414 4.223 20 10 EICDLO COc1ccc(F)c(F)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143412523 1024530318 /nfs/dbraw/zinc/53/03/18/1024530318.db2.gz ZBQWYGASALHUOL-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO COc1ccc(F)c(F)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001143412523 1024530345 /nfs/dbraw/zinc/53/03/45/1024530345.db2.gz ZBQWYGASALHUOL-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO C[C@@H](C1CC1)[N@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001204743437 1026248089 /nfs/dbraw/zinc/24/80/89/1026248089.db2.gz HJCMTXVXMSXGHH-VIFPVBQESA-N 1 2 328.225 4.057 20 10 EICDLO C[C@@H](C1CC1)[N@@H+](Cc1cc(Br)cc(F)c1O)C1CC1 ZINC001204743437 1026248104 /nfs/dbraw/zinc/24/81/04/1026248104.db2.gz HJCMTXVXMSXGHH-VIFPVBQESA-N 1 2 328.225 4.057 20 10 EICDLO COC[C@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000279407878 1026413728 /nfs/dbraw/zinc/41/37/28/1026413728.db2.gz DNIRSJHDHQXLJC-BONVTDFDSA-N 1 2 341.785 4.362 20 10 EICDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074804 1026840150 /nfs/dbraw/zinc/84/01/50/1026840150.db2.gz GPHVAZXOTPYFLB-KXUCPTDWSA-N 1 2 332.669 4.284 20 10 EICDLO C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Br)c1O ZINC000708074804 1026840151 /nfs/dbraw/zinc/84/01/51/1026840151.db2.gz GPHVAZXOTPYFLB-KXUCPTDWSA-N 1 2 332.669 4.284 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000177280701 1031536941 /nfs/dbraw/zinc/53/69/41/1031536941.db2.gz KHZGIUHJMYNABM-LLVKDONJSA-N 1 2 333.815 4.147 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(O)c2)c1O ZINC000177280701 1031536971 /nfs/dbraw/zinc/53/69/71/1031536971.db2.gz KHZGIUHJMYNABM-LLVKDONJSA-N 1 2 333.815 4.147 20 10 EICDLO Cc1[nH+]ccn1-c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000319648107 1035877151 /nfs/dbraw/zinc/87/71/51/1035877151.db2.gz AMOLGLJCCREOSS-UHFFFAOYSA-N 1 2 349.221 4.200 20 10 EICDLO Cc1ccc([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c(O)c1 ZINC000273435619 1037464086 /nfs/dbraw/zinc/46/40/86/1037464086.db2.gz WVRPCKXCHWEWHG-AUUYWEPGSA-N 1 2 339.414 4.013 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1cc(Br)cc(F)c1O ZINC000757656848 1039875574 /nfs/dbraw/zinc/87/55/74/1039875574.db2.gz JHFBGYVFMIEASC-ONGXEEELSA-N 1 2 348.281 4.230 20 10 EICDLO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nc(C(C)(C)C)no1 ZINC000174662887 1040660746 /nfs/dbraw/zinc/66/07/46/1040660746.db2.gz QQGMWGYJPZSBCL-HNNXBMFYSA-N 1 2 342.487 4.208 20 10 EICDLO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1cc(Br)cc(F)c1O ZINC000760045130 1042997586 /nfs/dbraw/zinc/99/75/86/1042997586.db2.gz DHHODMSYTUDQOA-NOZJJQNGSA-N 1 2 328.225 4.277 20 10 EICDLO Cc1ccc([C@@H](C)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000715746258 1043622849 /nfs/dbraw/zinc/62/28/49/1043622849.db2.gz STFWQOZOYFPIES-LLVKDONJSA-N 1 2 338.220 4.453 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000715752212 1043637316 /nfs/dbraw/zinc/63/73/16/1043637316.db2.gz GQQSHQKUSUMECC-VXGBXAGGSA-N 1 2 342.252 4.306 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000715752212 1043637329 /nfs/dbraw/zinc/63/73/29/1043637329.db2.gz GQQSHQKUSUMECC-VXGBXAGGSA-N 1 2 342.252 4.306 20 10 EICDLO Cc1ccc([C@@H](C)C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000738435388 1045060535 /nfs/dbraw/zinc/06/05/35/1045060535.db2.gz HOIPAEUNUAVGTH-ZDUSSCGKSA-N 1 2 334.257 4.356 20 10 EICDLO COc1cccc(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1O ZINC000767727040 1045620267 /nfs/dbraw/zinc/62/02/67/1045620267.db2.gz GPCQERXUMJHLQF-UHFFFAOYSA-N 1 2 349.434 4.213 20 10 EICDLO Oc1ccc(Cl)c(F)c1CNc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000790976071 1045661980 /nfs/dbraw/zinc/66/19/80/1045661980.db2.gz BAYGBIARMYRRAY-UHFFFAOYSA-N 1 2 335.741 4.122 20 10 EICDLO Cn1cccc1[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000769536773 1046014024 /nfs/dbraw/zinc/01/40/24/1046014024.db2.gz FKNAITWCSBOVQP-MRXNPFEDSA-N 1 2 349.272 4.220 20 10 EICDLO Cn1cccc1[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000769536773 1046014038 /nfs/dbraw/zinc/01/40/38/1046014038.db2.gz FKNAITWCSBOVQP-MRXNPFEDSA-N 1 2 349.272 4.220 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1COc2ccccc2C1)c1cccc(Cl)c1O ZINC000806132861 1047124148 /nfs/dbraw/zinc/12/41/48/1047124148.db2.gz BSWNVNJXZRQOEM-GUYCJALGSA-N 1 2 331.843 4.338 20 10 EICDLO CC[C@H]([NH2+]CCCc1nc(C(C)C)no1)c1cccc(Cl)c1O ZINC000806136515 1047132031 /nfs/dbraw/zinc/13/20/31/1047132031.db2.gz DQMXXSTXMNZFEV-AWEZNQCLSA-N 1 2 337.851 4.226 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccn(-c2ccccc2)n1)c1cccc(Cl)c1O ZINC000806135681 1047132739 /nfs/dbraw/zinc/13/27/39/1047132739.db2.gz VKGXANRXXSFPQW-GOSISDBHSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(Cl)c1O ZINC000806128211 1047152910 /nfs/dbraw/zinc/15/29/10/1047152910.db2.gz HVQWHQGTRGLLTG-HUUCEWRRSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@H]([NH2+]CCc1cccc(OC)c1OC)c1cccc(Cl)c1O ZINC000806131001 1047155473 /nfs/dbraw/zinc/15/54/73/1047155473.db2.gz GCFHPWDSMCQGJR-INIZCTEOSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccnc1OC(C)C)c1cccc(Cl)c1O ZINC000806130635 1047155653 /nfs/dbraw/zinc/15/56/53/1047155653.db2.gz ACJCXGRSYTXDAT-MRXNPFEDSA-N 1 2 334.847 4.469 20 10 EICDLO CC[C@H]([NH2+]CCC(=O)Nc1ccccc1)c1cccc(Cl)c1O ZINC000806140150 1047165969 /nfs/dbraw/zinc/16/59/69/1047165969.db2.gz UXXPODYETLNNAU-INIZCTEOSA-N 1 2 332.831 4.115 20 10 EICDLO CC[C@@H]([NH2+][C@@H](CCO)C1CCCCC1)c1cccc(Cl)c1O ZINC000806144299 1047170717 /nfs/dbraw/zinc/17/07/17/1047170717.db2.gz USPMARYYIGNHNF-SJORKVTESA-N 1 2 325.880 4.418 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1O ZINC000806147012 1047171061 /nfs/dbraw/zinc/17/10/61/1047171061.db2.gz SISWJZUYCBNWCE-CVEARBPZSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@@H]([NH2+]C[C@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806150491 1047175274 /nfs/dbraw/zinc/17/52/74/1047175274.db2.gz UKGBRQGSHFBERN-AEFFLSMTSA-N 1 2 337.822 4.133 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806157071 1047180260 /nfs/dbraw/zinc/18/02/60/1047180260.db2.gz BCCKSQYTFVXIKD-QAPCUYQASA-N 1 2 333.859 4.080 20 10 EICDLO CC[C@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cccc(Cl)c1O ZINC000806159217 1047182052 /nfs/dbraw/zinc/18/20/52/1047182052.db2.gz ZVPZHDXUGWNXTI-GUYCJALGSA-N 1 2 337.847 4.327 20 10 EICDLO CC[C@@H]([NH2+][C@@H](CCO)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806164354 1047189006 /nfs/dbraw/zinc/18/90/06/1047189006.db2.gz QZCLPOYNQBROTE-MAUKXSAKSA-N 1 2 333.859 4.080 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(CC(F)(F)F)cc1 ZINC000898215548 1047570252 /nfs/dbraw/zinc/57/02/52/1047570252.db2.gz NSDHETLFHALCSF-UHFFFAOYSA-N 1 2 329.749 4.440 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1OCCc2sccc21 ZINC000814177470 1047868584 /nfs/dbraw/zinc/86/85/84/1047868584.db2.gz CRSLNCBBNGTPMG-XXFAHNHDSA-N 1 2 341.835 4.038 20 10 EICDLO CCOCC(C)(C)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000808725425 1048072995 /nfs/dbraw/zinc/07/29/95/1048072995.db2.gz RLFARAFIGVVZCN-JTQLQIEISA-N 1 2 348.256 4.007 20 10 EICDLO OCC1([C@@H]([NH2+]Cc2cccc(Cl)c2O)c2cccs2)CCC1 ZINC000825311054 1048072907 /nfs/dbraw/zinc/07/29/07/1048072907.db2.gz FXQPPYOPRLNMNU-INIZCTEOSA-N 1 2 337.872 4.101 20 10 EICDLO Cc1cc(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)ccc1N(C)C ZINC000815055564 1048306439 /nfs/dbraw/zinc/30/64/39/1048306439.db2.gz FFOMXCLSPNLABC-UHFFFAOYSA-N 1 2 343.418 4.168 20 10 EICDLO Cc1cc(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)ccc1N(C)C ZINC000815055564 1048306451 /nfs/dbraw/zinc/30/64/51/1048306451.db2.gz FFOMXCLSPNLABC-UHFFFAOYSA-N 1 2 343.418 4.168 20 10 EICDLO Cc1ncc(C[N@@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000809731930 1048483314 /nfs/dbraw/zinc/48/33/14/1048483314.db2.gz XOXRAQPDLPAAOG-UHFFFAOYSA-N 1 2 341.480 4.313 20 10 EICDLO Cc1ncc(C[N@H+](Cc2ccco2)Cc2ccc(N(C)C)cc2)s1 ZINC000809731930 1048483320 /nfs/dbraw/zinc/48/33/20/1048483320.db2.gz XOXRAQPDLPAAOG-UHFFFAOYSA-N 1 2 341.480 4.313 20 10 EICDLO Oc1ccc(Br)cc1CNc1cc2cc(F)ccc2c[nH+]1 ZINC001171174671 1048642908 /nfs/dbraw/zinc/64/29/08/1048642908.db2.gz YNDOUHMOYDELTO-UHFFFAOYSA-N 1 2 347.187 4.454 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)c1nccn1-c1ccccc1 ZINC000816611923 1048844317 /nfs/dbraw/zinc/84/43/17/1048844317.db2.gz APOUPQRVAJZIKB-LBPRGKRZSA-N 1 2 345.805 4.221 20 10 EICDLO COCc1cc[nH+]c(N[C@@H](C)c2cccc(C(F)(F)F)c2O)c1 ZINC000846212359 1048848564 /nfs/dbraw/zinc/84/85/64/1048848564.db2.gz LQQMTEQIZOHBHR-JTQLQIEISA-N 1 2 326.318 4.126 20 10 EICDLO C[C@@H]([NH2+]C[C@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955394 1049067370 /nfs/dbraw/zinc/06/73/70/1049067370.db2.gz XNQGBUAWOQAUGQ-YGRLFVJLSA-N 1 2 325.239 4.050 20 10 EICDLO CC[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001178748325 1050542757 /nfs/dbraw/zinc/54/27/57/1050542757.db2.gz UDJGWNDKXMQSCK-QWRGUYRKSA-N 1 2 330.241 4.210 20 10 EICDLO CCCCO[C@H]1C[C@H]([N@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961649 1050848823 /nfs/dbraw/zinc/84/88/23/1050848823.db2.gz GWZSSMWHUUCXKC-HOTGVXAUSA-N 1 2 325.880 4.461 20 10 EICDLO CCCCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc(Cl)c2O)C1(C)C ZINC001179961649 1050848826 /nfs/dbraw/zinc/84/88/26/1050848826.db2.gz GWZSSMWHUUCXKC-HOTGVXAUSA-N 1 2 325.880 4.461 20 10 EICDLO CC[N@H+](Cc1cccc(F)c1O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174967 1050894770 /nfs/dbraw/zinc/89/47/70/1050894770.db2.gz QBDSOCXJIHZVHR-QFBILLFUSA-N 1 2 342.458 4.189 20 10 EICDLO CC[N@@H+](Cc1cccc(F)c1O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174967 1050894775 /nfs/dbraw/zinc/89/47/75/1050894775.db2.gz QBDSOCXJIHZVHR-QFBILLFUSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001180174967 1050894782 /nfs/dbraw/zinc/89/47/82/1050894782.db2.gz QBDSOCXJIHZVHR-QFBILLFUSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001180174967 1050894789 /nfs/dbraw/zinc/89/47/89/1050894789.db2.gz QBDSOCXJIHZVHR-QFBILLFUSA-N 1 2 342.458 4.189 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001180378697 1050974203 /nfs/dbraw/zinc/97/42/03/1050974203.db2.gz DMCFDNKUYJJGIC-OAHLLOKOSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCSC[C@@H]1c1ccccc1 ZINC001180378697 1050974210 /nfs/dbraw/zinc/97/42/10/1050974210.db2.gz DMCFDNKUYJJGIC-OAHLLOKOSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001183779532 1051894137 /nfs/dbraw/zinc/89/41/37/1051894137.db2.gz OQXLVOTVHNORBM-JTQLQIEISA-N 1 2 341.760 4.452 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@H](c2c(F)cccc2F)C1 ZINC001183779532 1051894143 /nfs/dbraw/zinc/89/41/43/1051894143.db2.gz OQXLVOTVHNORBM-JTQLQIEISA-N 1 2 341.760 4.452 20 10 EICDLO COCCCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775660342 1053422333 /nfs/dbraw/zinc/42/23/33/1053422333.db2.gz DWCCQKPNPWOZDF-UHFFFAOYSA-N 1 2 333.859 4.474 20 10 EICDLO COCCCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775660342 1053422337 /nfs/dbraw/zinc/42/23/37/1053422337.db2.gz DWCCQKPNPWOZDF-UHFFFAOYSA-N 1 2 333.859 4.474 20 10 EICDLO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1O ZINC000775658115 1053424089 /nfs/dbraw/zinc/42/40/89/1053424089.db2.gz MBGGZDLCTBPRTC-QGZVFWFLSA-N 1 2 341.842 4.269 20 10 EICDLO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(Cl)c1O ZINC000775658115 1053424095 /nfs/dbraw/zinc/42/40/95/1053424095.db2.gz MBGGZDLCTBPRTC-QGZVFWFLSA-N 1 2 341.842 4.269 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000775676787 1053552402 /nfs/dbraw/zinc/55/24/02/1053552402.db2.gz ZTJNSEMTAOFWTR-OAHLLOKOSA-N 1 2 331.799 4.111 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000775676787 1053552412 /nfs/dbraw/zinc/55/24/12/1053552412.db2.gz ZTJNSEMTAOFWTR-OAHLLOKOSA-N 1 2 331.799 4.111 20 10 EICDLO OCCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000775695665 1053611882 /nfs/dbraw/zinc/61/18/82/1053611882.db2.gz AOZDYABNGAHLPZ-GOSISDBHSA-N 1 2 349.833 4.057 20 10 EICDLO OCCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCc2ccccc21 ZINC000775695665 1053611886 /nfs/dbraw/zinc/61/18/86/1053611886.db2.gz AOZDYABNGAHLPZ-GOSISDBHSA-N 1 2 349.833 4.057 20 10 EICDLO Cc1ccc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)o1 ZINC000866477653 1053742488 /nfs/dbraw/zinc/74/24/88/1053742488.db2.gz CYEGFRFWECOVLU-SECBINFHSA-N 1 2 328.181 4.046 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014796 1054439424 /nfs/dbraw/zinc/43/94/24/1054439424.db2.gz QGEAOWQBHBYSDJ-LJQANCHMSA-N 1 2 347.817 4.206 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000776014796 1054439431 /nfs/dbraw/zinc/43/94/31/1054439431.db2.gz QGEAOWQBHBYSDJ-LJQANCHMSA-N 1 2 347.817 4.206 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(Br)s1 ZINC000124679876 1054590367 /nfs/dbraw/zinc/59/03/67/1054590367.db2.gz ILXAGXDIFOTSEV-UHFFFAOYSA-N 1 2 332.650 4.159 20 10 EICDLO Cc1cccc2[nH]cc(CC[NH2+]Cc3cc(Cl)cc(F)c3O)c21 ZINC000776168861 1054799975 /nfs/dbraw/zinc/79/99/75/1054799975.db2.gz SCIYDGRHWBDSAS-UHFFFAOYSA-N 1 2 332.806 4.307 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(S(C)(=O)=O)c(Cl)c2)cc1 ZINC001201498070 1054820615 /nfs/dbraw/zinc/82/06/15/1054820615.db2.gz PFDPXLNINPYJML-UHFFFAOYSA-N 1 2 338.860 4.307 20 10 EICDLO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)[C@@H]1c1ccncc1 ZINC000862375987 1055057882 /nfs/dbraw/zinc/05/78/82/1055057882.db2.gz FBAMTVGFIORWQD-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)[C@H]1c1ccncc1 ZINC000825998896 1055122036 /nfs/dbraw/zinc/12/20/36/1055122036.db2.gz XWAJPAVKKXRRCZ-INIZCTEOSA-N 1 2 347.256 4.133 20 10 EICDLO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)c1nc(C2CCCCC2)no1 ZINC000921804293 1056598911 /nfs/dbraw/zinc/59/89/11/1056598911.db2.gz PCETVALRYFLVRV-CQSZACIVSA-N 1 2 341.455 4.293 20 10 EICDLO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000756379424 1022549655 /nfs/dbraw/zinc/54/96/55/1022549655.db2.gz NIUXKYHARHDTPX-NXEZZACHSA-N 1 2 342.208 4.169 20 10 EICDLO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000756379425 1022551161 /nfs/dbraw/zinc/55/11/61/1022551161.db2.gz NIUXKYHARHDTPX-UWVGGRQHSA-N 1 2 342.208 4.169 20 10 EICDLO C[C@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1ccc(F)c(F)c1O ZINC000276998788 1024981945 /nfs/dbraw/zinc/98/19/45/1024981945.db2.gz YXYGVVYVXDZNKT-QMMMGPOBSA-N 1 2 347.283 4.262 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC001167544833 1026071062 /nfs/dbraw/zinc/07/10/62/1026071062.db2.gz WVFDABJWPAXKAW-GFCCVEGCSA-N 1 2 329.827 4.195 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2Cc3ccccc3C[C@H]2C)c1O ZINC001167544833 1026071077 /nfs/dbraw/zinc/07/10/77/1026071077.db2.gz WVFDABJWPAXKAW-GFCCVEGCSA-N 1 2 329.827 4.195 20 10 EICDLO COC[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1ccc(Cl)cc1 ZINC000279407880 1026417345 /nfs/dbraw/zinc/41/73/45/1026417345.db2.gz DNIRSJHDHQXLJC-MEBBXXQBSA-N 1 2 341.785 4.362 20 10 EICDLO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1nc(C(F)(F)F)cs1 ZINC000279479452 1026446631 /nfs/dbraw/zinc/44/66/31/1026446631.db2.gz KQYYTILPTNETHQ-YUMQZZPRSA-N 1 2 334.338 4.418 20 10 EICDLO CCOc1cc(F)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC001143579222 1026840013 /nfs/dbraw/zinc/84/00/13/1026840013.db2.gz JHUIZMSZFOQNKD-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO CCOc1cc(F)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC001143579222 1026840016 /nfs/dbraw/zinc/84/00/16/1026840016.db2.gz JHUIZMSZFOQNKD-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132539 1027403828 /nfs/dbraw/zinc/40/38/28/1027403828.db2.gz DLRUIADXCSNOPN-UWVGGRQHSA-N 1 2 332.669 4.429 20 10 EICDLO C[C@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132539 1027403840 /nfs/dbraw/zinc/40/38/40/1027403840.db2.gz DLRUIADXCSNOPN-UWVGGRQHSA-N 1 2 332.669 4.429 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc2cn(C)nc2c1)c1cccc(Cl)c1O ZINC000527966039 1031010361 /nfs/dbraw/zinc/01/03/61/1031010361.db2.gz ZNIOUWXCGDTHAM-MRXNPFEDSA-N 1 2 329.831 4.173 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)c1O ZINC000780386168 1031629259 /nfs/dbraw/zinc/62/92/59/1031629259.db2.gz VHEFLGHLOKGCAI-CABZTGNLSA-N 1 2 349.780 4.411 20 10 EICDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1Cl ZINC000170927900 1036934099 /nfs/dbraw/zinc/93/40/99/1036934099.db2.gz YXXYVYMRMUGDJB-UHFFFAOYSA-N 1 2 329.875 4.357 20 10 EICDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1Cl ZINC000170927900 1036934120 /nfs/dbraw/zinc/93/41/20/1036934120.db2.gz YXXYVYMRMUGDJB-UHFFFAOYSA-N 1 2 329.875 4.357 20 10 EICDLO Cc1cc([NH+](C)C)ccc1NCc1cc(Br)ccc1O ZINC000226627694 1038305066 /nfs/dbraw/zinc/30/50/66/1038305066.db2.gz MTOABAMWGMKQQJ-UHFFFAOYSA-N 1 2 335.245 4.141 20 10 EICDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)n1-c1ccc(F)cc1 ZINC000733881531 1044326549 /nfs/dbraw/zinc/32/65/49/1044326549.db2.gz SORCUSVXRIHDII-UHFFFAOYSA-N 1 2 348.381 4.133 20 10 EICDLO CC1([NH2+]Cc2cc(Cl)cc(Br)c2O)CC(F)(F)C1 ZINC000708055200 1044834164 /nfs/dbraw/zinc/83/41/64/1044834164.db2.gz CPIUBTVADLGMQO-UHFFFAOYSA-N 1 2 340.595 4.086 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1O)c1ccns1 ZINC000708073953 1044834181 /nfs/dbraw/zinc/83/41/81/1044834181.db2.gz WWZCEJLSJQBYCD-ZETCQYMHSA-N 1 2 347.665 4.115 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCC2(CCCCC2)O1)c1cc(F)cc(F)c1O ZINC000790714672 1045566213 /nfs/dbraw/zinc/56/62/13/1045566213.db2.gz HMHIPAISAAOQJH-TZMCWYRMSA-N 1 2 325.399 4.203 20 10 EICDLO C[C@@H]([NH2+]Cc1ccco1)c1cc(Br)cc(Cl)c1O ZINC000756344373 1045837701 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CC[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1cccc(Cl)c1O ZINC000806141631 1047166273 /nfs/dbraw/zinc/16/62/73/1047166273.db2.gz UTVHSJCINJVVLC-HOCLYGCPSA-N 1 2 325.861 4.056 20 10 EICDLO CC[C@H]([NH2+]Cc1nc2cc(F)ccc2n1C)c1cccc(Cl)c1O ZINC000806146105 1047171498 /nfs/dbraw/zinc/17/14/98/1047171498.db2.gz KBASLIGCWRAJMN-AWEZNQCLSA-N 1 2 347.821 4.312 20 10 EICDLO CC[C@H]([NH2+][C@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1O ZINC000806150125 1047172859 /nfs/dbraw/zinc/17/28/59/1047172859.db2.gz LVZXCNFTTPIMMT-DYVFJYSZSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806150492 1047174901 /nfs/dbraw/zinc/17/49/01/1047174901.db2.gz UKGBRQGSHFBERN-FUHWJXTLSA-N 1 2 337.822 4.133 20 10 EICDLO CC[C@@H]([NH2+]C[C@@](C)(O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806150493 1047175608 /nfs/dbraw/zinc/17/56/08/1047175608.db2.gz UKGBRQGSHFBERN-SJLPKXTDSA-N 1 2 337.822 4.133 20 10 EICDLO CCOC[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1O)C(C)C ZINC000788986335 1047341507 /nfs/dbraw/zinc/34/15/07/1047341507.db2.gz XWVCZZMYGAZZBD-QMTHXVAHSA-N 1 2 348.256 4.006 20 10 EICDLO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1c(F)ccc(OC)c1F ZINC001143984298 1048326359 /nfs/dbraw/zinc/32/63/59/1048326359.db2.gz SFNDTUPRAVLZFZ-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1c(F)ccc(OC)c1F ZINC001143984298 1048326376 /nfs/dbraw/zinc/32/63/76/1048326376.db2.gz SFNDTUPRAVLZFZ-UHFFFAOYSA-N 1 2 334.410 4.062 20 10 EICDLO CSCc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2O)cc1 ZINC000809711257 1048490518 /nfs/dbraw/zinc/49/05/18/1048490518.db2.gz QCMNEKIXZZXEHH-UHFFFAOYSA-N 1 2 325.836 4.338 20 10 EICDLO CCCN(CCC)c1ccc(C[N@@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000809712713 1048490865 /nfs/dbraw/zinc/49/08/65/1048490865.db2.gz UGRBQBIPGDDLFE-GOSISDBHSA-N 1 2 340.458 4.169 20 10 EICDLO CCCN(CCC)c1ccc(C[N@H+]2CCOC[C@H]2CC(F)F)cc1 ZINC000809712713 1048490886 /nfs/dbraw/zinc/49/08/86/1048490886.db2.gz UGRBQBIPGDDLFE-GOSISDBHSA-N 1 2 340.458 4.169 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846016561 1048783926 /nfs/dbraw/zinc/78/39/26/1048783926.db2.gz YIVUZYBKOMLCQZ-UHFFFAOYSA-N 1 2 341.707 4.051 20 10 EICDLO COc1ccc(F)c(C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000816478148 1048810097 /nfs/dbraw/zinc/81/00/97/1048810097.db2.gz VYWCBDQNJDCFCY-UHFFFAOYSA-N 1 2 341.382 4.335 20 10 EICDLO COc1ccc(F)c(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000816478148 1048810109 /nfs/dbraw/zinc/81/01/09/1048810109.db2.gz VYWCBDQNJDCFCY-UHFFFAOYSA-N 1 2 341.382 4.335 20 10 EICDLO Oc1cc(F)c(Cl)cc1CNc1ccc(N2CCCCC2)c[nH+]1 ZINC000816536665 1048826715 /nfs/dbraw/zinc/82/67/15/1048826715.db2.gz GMIDMFGWCXLYSD-UHFFFAOYSA-N 1 2 335.810 4.182 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCCCOCc1ccccc1 ZINC000816544995 1048827087 /nfs/dbraw/zinc/82/70/87/1048827087.db2.gz ZKOUTAZUJGWDSN-UHFFFAOYSA-N 1 2 337.822 4.271 20 10 EICDLO C[C@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816565975 1048836840 /nfs/dbraw/zinc/83/68/40/1048836840.db2.gz 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1050186947 /nfs/dbraw/zinc/18/69/47/1050186947.db2.gz UDAFBQHPXKXFFY-UHFFFAOYSA-N 1 2 346.858 4.123 20 10 EICDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1c(O)cccc1Cl ZINC000130921895 1050186954 /nfs/dbraw/zinc/18/69/54/1050186954.db2.gz UDAFBQHPXKXFFY-UHFFFAOYSA-N 1 2 346.858 4.123 20 10 EICDLO CCN(C)c1ccc(C[NH2+][C@H](c2nccs2)c2ccccc2)cc1 ZINC000773777922 1050575356 /nfs/dbraw/zinc/57/53/56/1050575356.db2.gz WJUVLBOAEJQLOY-IBGZPJMESA-N 1 2 337.492 4.478 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001204237369 1050617574 /nfs/dbraw/zinc/61/75/74/1050617574.db2.gz LTPVPRQCXJNEOC-JCURWCKSSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001204237369 1050617579 /nfs/dbraw/zinc/61/75/79/1050617579.db2.gz LTPVPRQCXJNEOC-JCURWCKSSA-N 1 2 341.854 4.210 20 10 EICDLO C/C(=C\c1ccccc1)C[NH2+]Cc1cccc(Br)c1O ZINC000775153333 1050650839 /nfs/dbraw/zinc/65/08/39/1050650839.db2.gz SZVGTUWZRWGXMP-JLHYYAGUSA-N 1 2 332.241 4.348 20 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CCSC[C@@H]2C(C)(C)C)c1O ZINC001175700459 1051709560 /nfs/dbraw/zinc/70/95/60/1051709560.db2.gz YSFAFNWETIADHU-OAHLLOKOSA-N 1 2 341.904 4.212 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCSC[C@@H]2C(C)(C)C)c1O ZINC001175700459 1051709578 /nfs/dbraw/zinc/70/95/78/1051709578.db2.gz YSFAFNWETIADHU-OAHLLOKOSA-N 1 2 341.904 4.212 20 10 EICDLO Oc1ccccc1C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001203563037 1051826727 /nfs/dbraw/zinc/82/67/27/1051826727.db2.gz TXBAFHCVKOORFH-MRXNPFEDSA-N 1 2 335.369 4.231 20 10 EICDLO Oc1ccccc1C[N@H+]1CC[C@H](Cc2ccc(F)cc2)C(F)(F)C1 ZINC001203563037 1051826734 /nfs/dbraw/zinc/82/67/34/1051826734.db2.gz TXBAFHCVKOORFH-MRXNPFEDSA-N 1 2 335.369 4.231 20 10 EICDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666622 1052672972 /nfs/dbraw/zinc/67/29/72/1052672972.db2.gz UJXKLCNXNPKBGN-CABCVRRESA-N 1 2 337.423 4.086 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000775648424 1053340494 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OCCC[N@@H+](Cc1cccc(Cl)c1O)[C@H]1CCCc2ccccc21 ZINC000775724745 1053698513 /nfs/dbraw/zinc/69/85/13/1053698513.db2.gz KAUBEXQBTDLBDV-IBGZPJMESA-N 1 2 345.870 4.308 20 10 EICDLO COC(=O)CCC[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775739831 1053744724 /nfs/dbraw/zinc/74/47/24/1053744724.db2.gz IXELFEJUZWHRGB-UHFFFAOYSA-N 1 2 347.842 4.001 20 10 EICDLO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775739831 1053744741 /nfs/dbraw/zinc/74/47/41/1053744741.db2.gz IXELFEJUZWHRGB-UHFFFAOYSA-N 1 2 347.842 4.001 20 10 EICDLO CC(C)(C)c1coc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)n1 ZINC000921617276 1053920752 /nfs/dbraw/zinc/92/07/52/1053920752.db2.gz CCIGDSUPYRKUGZ-UHFFFAOYSA-N 1 2 327.472 4.252 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1sccc1Br ZINC000124808495 1054622943 /nfs/dbraw/zinc/62/29/43/1054622943.db2.gz ZIJMTNWLMZUSBL-UHFFFAOYSA-N 1 2 332.650 4.159 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000776150401 1054739189 /nfs/dbraw/zinc/73/91/89/1054739189.db2.gz VHSDNQKMGRLROV-UHFFFAOYSA-N 1 2 336.769 4.137 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H]1COc2ccc(Cl)cc21 ZINC001201372334 1054765620 /nfs/dbraw/zinc/76/56/20/1054765620.db2.gz GYIUMIVMAHHDEE-CYBMUJFWSA-N 1 2 328.170 4.061 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000776174463 1054802290 /nfs/dbraw/zinc/80/22/90/1054802290.db2.gz AQBMDZLFARUREW-UHFFFAOYSA-N 1 2 326.824 4.200 20 10 EICDLO COc1cc(Nc2ccc([NH2+]C(C)C)cc2)ccc1N1CCOCC1 ZINC001201498899 1054820250 /nfs/dbraw/zinc/82/02/50/1054820250.db2.gz GIZMSBMRTROAKL-UHFFFAOYSA-N 1 2 341.455 4.096 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(Br)cc2C(N)=O)cc1 ZINC001201498349 1054820639 /nfs/dbraw/zinc/82/06/39/1054820639.db2.gz VEUZRIJIIFYOBY-UHFFFAOYSA-N 1 2 348.244 4.112 20 10 EICDLO CCN(CCO)c1ccc(Nc2ccc([NH2+]C(C)C)cc2)c(C)c1 ZINC001201498239 1054820657 /nfs/dbraw/zinc/82/06/57/1054820657.db2.gz VWHWEMLSCCFUDH-UHFFFAOYSA-N 1 2 327.472 4.378 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(C3=NNC(=O)C[C@H]3C)cc2)cc1 ZINC001201498098 1054821025 /nfs/dbraw/zinc/82/10/25/1054821025.db2.gz RNUZDHURMDZYQY-CQSZACIVSA-N 1 2 336.439 4.111 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc3c4c2cccc4C(=O)NC3=O)cc1 ZINC001201499885 1054822851 /nfs/dbraw/zinc/82/28/51/1054822851.db2.gz SWBVTZWUARNCGQ-UHFFFAOYSA-N 1 2 345.402 4.287 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]CCC1=CCCCC1 ZINC000715778263 1044225186 /nfs/dbraw/zinc/22/51/86/1044225186.db2.gz IXQCXHIGZRAIIK-UHFFFAOYSA-N 1 2 328.225 4.274 20 10 EICDLO COc1ccc(C(C)(C)[NH2+]Cc2cc(Cl)cc(F)c2O)cc1F ZINC000529649832 1032508401 /nfs/dbraw/zinc/50/84/01/1032508401.db2.gz BLYHZHCRMXVXRI-UHFFFAOYSA-N 1 2 341.785 4.357 20 10 EICDLO CC[C@@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1O ZINC000376831553 1023320990 /nfs/dbraw/zinc/32/09/90/1023320990.db2.gz AQJLKMZZMXTBCQ-CABCVRRESA-N 1 2 348.878 4.336 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1O ZINC000376862213 1023326819 /nfs/dbraw/zinc/32/68/19/1023326819.db2.gz XCUGXSWXRRRLEO-BLLLJJGKSA-N 1 2 344.842 4.212 20 10 EICDLO Cc1csc(CCCC[NH2+][C@@H](C)c2cc(F)cc(F)c2O)n1 ZINC000756533682 1023395064 /nfs/dbraw/zinc/39/50/64/1023395064.db2.gz GVUJQGQCCZQPCU-NSHDSACASA-N 1 2 326.412 4.109 20 10 EICDLO C[C@@H]([NH2+]Cc1c(F)cccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000756731031 1024186197 /nfs/dbraw/zinc/18/61/97/1024186197.db2.gz CLXVZSQRKOHZPO-MRVPVSSYSA-N 1 2 347.283 4.262 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccc(Cl)s2)c1O ZINC000050144058 1026906635 /nfs/dbraw/zinc/90/66/35/1026906635.db2.gz WLHUIFNAENJSPR-UHFFFAOYSA-N 1 2 327.808 4.081 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccc(Cl)s2)c1O ZINC000050144058 1026906641 /nfs/dbraw/zinc/90/66/41/1026906641.db2.gz WLHUIFNAENJSPR-UHFFFAOYSA-N 1 2 327.808 4.081 20 10 EICDLO C[C@@H]([NH2+]Cc1nnc(C2CC2)s1)c1cc(Cl)c(Cl)cc1O ZINC000840892394 1027578898 /nfs/dbraw/zinc/57/88/98/1027578898.db2.gz ZGVZFAGHDDDFCJ-SSDOTTSWSA-N 1 2 344.267 4.279 20 10 EICDLO C[C@@H]([NH2+][C@H](C)c1ccc(F)c(F)c1O)c1nccn1-c1ccccc1 ZINC000367568499 1030209707 /nfs/dbraw/zinc/20/97/07/1030209707.db2.gz YOQWUOQSBZXQET-CHWSQXEVSA-N 1 2 343.377 4.268 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000273543162 1037500171 /nfs/dbraw/zinc/50/01/71/1037500171.db2.gz XJWQRVPFQPUZIR-WBVHZDCISA-N 1 2 335.806 4.195 20 10 EICDLO Cc1ccc(O)c(C[NH2+][C@@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000080342443 1039498677 /nfs/dbraw/zinc/49/86/77/1039498677.db2.gz XDHGIVPGNNAIBM-LBPRGKRZSA-N 1 2 343.814 4.255 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000715726640 1043167784 /nfs/dbraw/zinc/16/77/84/1043167784.db2.gz VBJHASGDEDIDPI-QMTHXVAHSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000715726640 1043167789 /nfs/dbraw/zinc/16/77/89/1043167789.db2.gz VBJHASGDEDIDPI-QMTHXVAHSA-N 1 2 328.225 4.058 20 10 EICDLO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C[C@H]1C ZINC000715786927 1044549081 /nfs/dbraw/zinc/54/90/81/1044549081.db2.gz BVQVUGKZEZQWDM-BREBYQMCSA-N 1 2 330.241 4.208 20 10 EICDLO CC1(C)CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715791040 1044578616 /nfs/dbraw/zinc/57/86/16/1044578616.db2.gz XPHUUUGDJDNXHT-LBPRGKRZSA-N 1 2 330.241 4.352 20 10 EICDLO C[C@]1([NH2+]Cc2cccc(Br)c2O)CCCc2ccccc21 ZINC000734843245 1044697023 /nfs/dbraw/zinc/69/70/23/1044697023.db2.gz IARRMHCPCRJUDS-SFHVURJKSA-N 1 2 346.268 4.496 20 10 EICDLO COc1cccc2c1OCCC[C@H]2[NH2+]Cc1cccc(Cl)c1O ZINC000895640336 1044836518 /nfs/dbraw/zinc/83/65/18/1044836518.db2.gz PEOIBTYWZWYNLO-OAHLLOKOSA-N 1 2 333.815 4.058 20 10 EICDLO Cc1ccccc1C1CC([NH2+]Cc2cccc(Br)c2O)C1 ZINC000742385413 1045658132 /nfs/dbraw/zinc/65/81/32/1045658132.db2.gz ZKTPOCIQXQYFIZ-UHFFFAOYSA-N 1 2 346.268 4.499 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000791582727 1045764099 /nfs/dbraw/zinc/76/40/99/1045764099.db2.gz CGKCMKHKBQYFEG-SDBXPKJASA-N 1 2 335.753 4.021 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1O ZINC000791582727 1045764112 /nfs/dbraw/zinc/76/41/12/1045764112.db2.gz CGKCMKHKBQYFEG-SDBXPKJASA-N 1 2 335.753 4.021 20 10 EICDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768376599 1045803770 /nfs/dbraw/zinc/80/37/70/1045803770.db2.gz UHUAWRZWVHQPAQ-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000768376599 1045803771 /nfs/dbraw/zinc/80/37/71/1045803771.db2.gz UHUAWRZWVHQPAQ-KRWDZBQOSA-N 1 2 338.234 4.273 20 10 EICDLO C[N@H+](Cc1ccc(Br)o1)Cc1c(O)ccc(Cl)c1F ZINC000792163363 1045869975 /nfs/dbraw/zinc/86/99/75/1045869975.db2.gz XFLDLHKJAKQRMI-UHFFFAOYSA-N 1 2 348.599 4.172 20 10 EICDLO C[N@@H+](Cc1ccc(Br)o1)Cc1c(O)ccc(Cl)c1F ZINC000792163363 1045869979 /nfs/dbraw/zinc/86/99/79/1045869979.db2.gz XFLDLHKJAKQRMI-UHFFFAOYSA-N 1 2 348.599 4.172 20 10 EICDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174661 1045873213 /nfs/dbraw/zinc/87/32/13/1045873213.db2.gz YFFUGKYQDMVCGD-BDAKNGLRSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174661 1045873216 /nfs/dbraw/zinc/87/32/16/1045873216.db2.gz YFFUGKYQDMVCGD-BDAKNGLRSA-N 1 2 325.733 4.348 20 10 EICDLO CCC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000793235924 1046181981 /nfs/dbraw/zinc/18/19/81/1046181981.db2.gz HXBTWWWALOMSQA-WMZOPIPTSA-N 1 2 337.822 4.177 20 10 EICDLO CCc1cc(C[N@H+](C)Cc2nncn2C(C)C)c(O)c(C(C)(C)C)c1 ZINC000793804937 1046336093 /nfs/dbraw/zinc/33/60/93/1046336093.db2.gz HVZJOEGYUJCANC-UHFFFAOYSA-N 1 2 344.503 4.057 20 10 EICDLO CCc1cc(C[N@@H+](C)Cc2nncn2C(C)C)c(O)c(C(C)(C)C)c1 ZINC000793804937 1046336106 /nfs/dbraw/zinc/33/61/06/1046336106.db2.gz HVZJOEGYUJCANC-UHFFFAOYSA-N 1 2 344.503 4.057 20 10 EICDLO Cn1nc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c2ccccc21 ZINC000771924496 1046518122 /nfs/dbraw/zinc/51/81/22/1046518122.db2.gz JZECIVZCEFALOV-UHFFFAOYSA-N 1 2 347.418 4.074 20 10 EICDLO Cn1nc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c2ccccc21 ZINC000771924496 1046518100 /nfs/dbraw/zinc/51/81/00/1046518100.db2.gz JZECIVZCEFALOV-UHFFFAOYSA-N 1 2 347.418 4.074 20 10 EICDLO CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131452 1047124033 /nfs/dbraw/zinc/12/40/33/1047124033.db2.gz JMVBWEBYWZXZTK-QMTHXVAHSA-N 1 2 328.243 4.025 20 10 EICDLO CC[C@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc(Cl)c1O ZINC000806133738 1047127254 /nfs/dbraw/zinc/12/72/54/1047127254.db2.gz CVUXYEAUNGNUAM-SFHVURJKSA-N 1 2 330.859 4.102 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccccc1OCCOC)c1cccc(Cl)c1O ZINC000806134364 1047132390 /nfs/dbraw/zinc/13/23/90/1047132390.db2.gz XVKSLDWUHFCNFE-QGZVFWFLSA-N 1 2 349.858 4.312 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccccc1-n1cccn1)c1cccc(Cl)c1O ZINC000806136142 1047134332 /nfs/dbraw/zinc/13/43/32/1047134332.db2.gz SNSNKITZDZGCCA-QGZVFWFLSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1O ZINC000806138219 1047136715 /nfs/dbraw/zinc/13/67/15/1047136715.db2.gz XCGUETVBQWRKHE-XJKSGUPXSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1O ZINC000806140710 1047166390 /nfs/dbraw/zinc/16/63/90/1047166390.db2.gz BGGGPAYFYMQVNE-HNNXBMFYSA-N 1 2 334.803 4.237 20 10 EICDLO CC[C@H]([NH2+]CCSCC(F)(F)F)c1cccc(Cl)c1O ZINC000806150225 1047175372 /nfs/dbraw/zinc/17/53/72/1047175372.db2.gz NVEQQAYHVOWNTN-NSHDSACASA-N 1 2 327.799 4.382 20 10 EICDLO CC[C@H]([NH2+]C1(C(=O)Nc2ccccc2)CC1)c1cccc(Cl)c1O ZINC000806160737 1047183838 /nfs/dbraw/zinc/18/38/38/1047183838.db2.gz JYMYMYIDGFNFQE-INIZCTEOSA-N 1 2 344.842 4.258 20 10 EICDLO CSC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCC1 ZINC000788605938 1047246431 /nfs/dbraw/zinc/24/64/31/1047246431.db2.gz NWLFIEGFJZNOCP-VIFPVBQESA-N 1 2 348.281 4.230 20 10 EICDLO Cc1nc2scc(C3CC3)n2c1C[NH2+]Cc1cccc(Cl)c1O ZINC000898218473 1047568448 /nfs/dbraw/zinc/56/84/48/1047568448.db2.gz HXSAMHLLZBPFIH-UHFFFAOYSA-N 1 2 347.871 4.230 20 10 EICDLO C[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1OCCc2sccc21 ZINC000814177468 1047868041 /nfs/dbraw/zinc/86/80/41/1047868041.db2.gz CRSLNCBBNGTPMG-FVMDXXJSSA-N 1 2 341.835 4.038 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H]1OCCc2sccc21 ZINC000814177469 1047868470 /nfs/dbraw/zinc/86/84/70/1047868470.db2.gz CRSLNCBBNGTPMG-JDNHERCYSA-N 1 2 341.835 4.038 20 10 EICDLO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000809710979 1048491795 /nfs/dbraw/zinc/49/17/95/1048491795.db2.gz FLXPCJCJEBLPLD-HNNXBMFYSA-N 1 2 347.842 4.098 20 10 EICDLO COc1ccccc1O[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000809710979 1048491801 /nfs/dbraw/zinc/49/18/01/1048491801.db2.gz FLXPCJCJEBLPLD-HNNXBMFYSA-N 1 2 347.842 4.098 20 10 EICDLO CC[C@H]([NH2+][C@@H](CO)[C@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000806145740 1048766561 /nfs/dbraw/zinc/76/65/61/1048766561.db2.gz GAZSFRNXQFFUNS-BVGQSLNGSA-N 1 2 333.859 4.251 20 10 EICDLO C[C@H](Nc1ccc2c(c1)CC[NH2+]2)c1cc(Br)ccc1O ZINC000817950389 1049064181 /nfs/dbraw/zinc/06/41/81/1049064181.db2.gz VGXLZXYBGGGTMI-JTQLQIEISA-N 1 2 333.229 4.296 20 10 EICDLO Cc1cc(C[N@@H+](C)Cc2ccc(N(C)Cc3cccs3)cc2)no1 ZINC000823408534 1049845415 /nfs/dbraw/zinc/84/54/15/1049845415.db2.gz KXRFBYSNFLCJCQ-UHFFFAOYSA-N 1 2 341.480 4.313 20 10 EICDLO Cc1cc(C[N@H+](C)Cc2ccc(N(C)Cc3cccs3)cc2)no1 ZINC000823408534 1049845416 /nfs/dbraw/zinc/84/54/16/1049845416.db2.gz KXRFBYSNFLCJCQ-UHFFFAOYSA-N 1 2 341.480 4.313 20 10 EICDLO Oc1ccc(F)cc1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000775180580 1050808276 /nfs/dbraw/zinc/80/82/76/1050808276.db2.gz GFXORVQJGNHNLX-UHFFFAOYSA-N 1 2 337.398 4.343 20 10 EICDLO C[C@H]1SCC[N@H+](Cc2ccc(F)c(F)c2O)[C@H]1c1ccccc1 ZINC001179938943 1050823963 /nfs/dbraw/zinc/82/39/63/1050823963.db2.gz ZVGHYZKCEIHGTG-SJKOYZFVSA-N 1 2 335.419 4.349 20 10 EICDLO C[C@H]1SCC[N@@H+](Cc2ccc(F)c(F)c2O)[C@H]1c1ccccc1 ZINC001179938943 1050823966 /nfs/dbraw/zinc/82/39/66/1050823966.db2.gz ZVGHYZKCEIHGTG-SJKOYZFVSA-N 1 2 335.419 4.349 20 10 EICDLO CCc1nc(C)c([C@H](C)[N@H+](C)Cc2ccc(F)c(F)c2O)s1 ZINC001179905741 1050829573 /nfs/dbraw/zinc/82/95/73/1050829573.db2.gz NVPVQXNDDWBXNB-JTQLQIEISA-N 1 2 326.412 4.191 20 10 EICDLO CCc1nc(C)c([C@H](C)[N@@H+](C)Cc2ccc(F)c(F)c2O)s1 ZINC001179905741 1050829578 /nfs/dbraw/zinc/82/95/78/1050829578.db2.gz NVPVQXNDDWBXNB-JTQLQIEISA-N 1 2 326.412 4.191 20 10 EICDLO COc1ccc(N(CCCn2cc[nH+]c2)Cc2cccs2)cc1 ZINC000182889291 1050869950 /nfs/dbraw/zinc/86/99/50/1050869950.db2.gz RQOWKRLLHTZPLE-UHFFFAOYSA-N 1 2 327.453 4.050 20 10 EICDLO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CC[N@H+](Cc2ccccc2)C1 ZINC001181316341 1051207779 /nfs/dbraw/zinc/20/77/79/1051207779.db2.gz YPTMZOYXMPPUDF-HXUWFJFHSA-N 1 2 344.886 4.047 20 10 EICDLO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[O-])CC[N@@H+](Cc2ccccc2)C1 ZINC001181316341 1051207787 /nfs/dbraw/zinc/20/77/87/1051207787.db2.gz YPTMZOYXMPPUDF-HXUWFJFHSA-N 1 2 344.886 4.047 20 10 EICDLO O=C(c1ccncc1)c1ccccc1Nc1ccc(N2CCCC2)[nH+]c1 ZINC001175352132 1051544444 /nfs/dbraw/zinc/54/44/44/1051544444.db2.gz GQVYBXYFNQNRHY-UHFFFAOYSA-N 1 2 344.418 4.051 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483400 1051556336 /nfs/dbraw/zinc/55/63/36/1051556336.db2.gz TVZSQNNXQDHDLA-FZMZJTMJSA-N 1 2 331.287 4.224 20 10 EICDLO CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483400 1051556346 /nfs/dbraw/zinc/55/63/46/1051556346.db2.gz TVZSQNNXQDHDLA-FZMZJTMJSA-N 1 2 331.287 4.224 20 10 EICDLO CC[C@H]([NH2+]Cc1nnc(-c2ccccc2)[nH]1)c1cc(Cl)ccc1O ZINC000775542796 1051794739 /nfs/dbraw/zinc/79/47/39/1051794739.db2.gz SWQVTMWUKDSULE-HNNXBMFYSA-N 1 2 342.830 4.072 20 10 EICDLO CC[C@H]([NH2+]Cc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)ccc1O ZINC000775542796 1051794751 /nfs/dbraw/zinc/79/47/51/1051794751.db2.gz SWQVTMWUKDSULE-HNNXBMFYSA-N 1 2 342.830 4.072 20 10 EICDLO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2noc(Cc3ccccc3)n2)c1 ZINC000185666682 1052672674 /nfs/dbraw/zinc/67/26/74/1052672674.db2.gz UJXKLCNXNPKBGN-LSDHHAIUSA-N 1 2 337.423 4.086 20 10 EICDLO C[N@H+](Cc1ccccc1N1CCCC1)Cc1cc(Cl)cc(F)c1O ZINC000775646910 1053344576 /nfs/dbraw/zinc/34/45/76/1053344576.db2.gz LUOAGVOBYNAZTQ-UHFFFAOYSA-N 1 2 348.849 4.417 20 10 EICDLO C[N@@H+](Cc1ccccc1N1CCCC1)Cc1cc(Cl)cc(F)c1O ZINC000775646910 1053344592 /nfs/dbraw/zinc/34/45/92/1053344592.db2.gz LUOAGVOBYNAZTQ-UHFFFAOYSA-N 1 2 348.849 4.417 20 10 EICDLO CC(C)(C[NH2+]Cc1cccc(Br)c1O)CC(F)(F)F ZINC000853095994 1053644391 /nfs/dbraw/zinc/64/43/91/1053644391.db2.gz IVUITVIMHKUVJY-UHFFFAOYSA-N 1 2 340.183 4.223 20 10 EICDLO Cc1cccc2nc(C[N@H+](Cc3ccco3)Cc3ccccc3O)cn21 ZINC000111232773 1053663556 /nfs/dbraw/zinc/66/35/56/1053663556.db2.gz SOCIWEIUUCVFLB-UHFFFAOYSA-N 1 2 347.418 4.144 20 10 EICDLO Cc1cccc2nc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)cn21 ZINC000111232773 1053663560 /nfs/dbraw/zinc/66/35/60/1053663560.db2.gz SOCIWEIUUCVFLB-UHFFFAOYSA-N 1 2 347.418 4.144 20 10 EICDLO COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775715316 1053663783 /nfs/dbraw/zinc/66/37/83/1053663783.db2.gz WUSRBDRMLPFGSH-GFCCVEGCSA-N 1 2 335.806 4.183 20 10 EICDLO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC000775715316 1053663788 /nfs/dbraw/zinc/66/37/88/1053663788.db2.gz WUSRBDRMLPFGSH-GFCCVEGCSA-N 1 2 335.806 4.183 20 10 EICDLO Cc1cccc(C2(O)CC[NH+](Cc3cccc(Cl)c3O)CC2)c1C ZINC000775720234 1053681104 /nfs/dbraw/zinc/68/11/04/1053681104.db2.gz JEOYKUVWXMAQIQ-UHFFFAOYSA-N 1 2 345.870 4.146 20 10 EICDLO CC(C)[C@H](C[NH2+]Cc1cc(Cl)cc(F)c1O)Nc1ccccc1 ZINC001199118366 1054352301 /nfs/dbraw/zinc/35/23/01/1054352301.db2.gz MBPOVDIJLNPSME-KRWDZBQOSA-N 1 2 336.838 4.411 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014468 1054439496 /nfs/dbraw/zinc/43/94/96/1054439496.db2.gz RWTWACPWQSLWBF-KWQFWETISA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014468 1054439504 /nfs/dbraw/zinc/43/95/04/1054439504.db2.gz RWTWACPWQSLWBF-KWQFWETISA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1ccns1 ZINC000858578012 1054526015 /nfs/dbraw/zinc/52/60/15/1054526015.db2.gz STAOKKUEMJLSQO-JGVFFNPUSA-N 1 2 345.237 4.162 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccccc1Br ZINC000124751315 1054602756 /nfs/dbraw/zinc/60/27/56/1054602756.db2.gz UTBDRWBODJOEQX-UHFFFAOYSA-N 1 2 326.621 4.098 20 10 EICDLO Cc1[nH]c2ccccc2c1CC[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000776155096 1054758768 /nfs/dbraw/zinc/75/87/68/1054758768.db2.gz YBEAZGSRWNXFEN-UHFFFAOYSA-N 1 2 332.806 4.307 20 10 EICDLO C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1noc(-c2ccccc2)n1 ZINC001201425285 1054795862 /nfs/dbraw/zinc/79/58/62/1054795862.db2.gz PXDCXXUCRVZLJB-MRXNPFEDSA-N 1 2 348.450 4.188 20 10 EICDLO COC(=O)c1c(F)ccc(Nc2ccc([NH2+]C(C)C)cc2)c1OC ZINC001201500328 1054822713 /nfs/dbraw/zinc/82/27/13/1054822713.db2.gz ZRBSGLPCUXLXPH-UHFFFAOYSA-N 1 2 332.375 4.185 20 10 EICDLO CC(C)[C@H]([NH2+]Cc1ccc(F)c(F)c1O)c1nc2ccccc2[nH]1 ZINC000876986239 1054995582 /nfs/dbraw/zinc/99/55/82/1054995582.db2.gz ZXFLFYUWWZYWLS-INIZCTEOSA-N 1 2 331.366 4.034 20 10 EICDLO OCC[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)c(F)c1 ZINC000877663684 1055103328 /nfs/dbraw/zinc/10/33/28/1055103328.db2.gz FSYUHLWMDVCRTB-OAHLLOKOSA-N 1 2 344.213 4.051 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(OC(C)(C)C)CC2)c1O ZINC000119003957 1027226557 /nfs/dbraw/zinc/22/65/57/1027226557.db2.gz XLUWJGNUWFWIFM-UHFFFAOYSA-N 1 2 339.863 4.028 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@H](c1ccccc1)c1cccnc1 ZINC000190947613 1030587973 /nfs/dbraw/zinc/58/79/73/1030587973.db2.gz HJXWCSFDUSZLRG-LJQANCHMSA-N 1 2 342.801 4.459 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]CCc1ccc(Br)s1 ZINC000224556196 1037146179 /nfs/dbraw/zinc/14/61/79/1037146179.db2.gz YGXAHYFDGISYMF-UHFFFAOYSA-N 1 2 346.677 4.202 20 10 EICDLO Cc1ccc(O)c(C[NH2+][C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000080342445 1039488837 /nfs/dbraw/zinc/48/88/37/1039488837.db2.gz XDHGIVPGNNAIBM-GFCCVEGCSA-N 1 2 343.814 4.255 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000715752206 1043637617 /nfs/dbraw/zinc/63/76/17/1043637617.db2.gz GQQSHQKUSUMECC-NEPJUHHUSA-N 1 2 342.252 4.306 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000715752206 1043637632 /nfs/dbraw/zinc/63/76/32/1043637632.db2.gz GQQSHQKUSUMECC-NEPJUHHUSA-N 1 2 342.252 4.306 20 10 EICDLO Cc1cc(C(=O)Nc2ccc3[nH+]ccn3c2)c(C)n1-c1ccccc1C ZINC000733966822 1044444663 /nfs/dbraw/zinc/44/46/63/1044444663.db2.gz GUMNULOKUOSAQJ-UHFFFAOYSA-N 1 2 344.418 4.303 20 10 EICDLO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715788229 1044575131 /nfs/dbraw/zinc/57/51/31/1044575131.db2.gz IVQFTZXSRPLPLI-IINYFYTJSA-N 1 2 330.241 4.352 20 10 EICDLO Cc1cc(C[NH2+]Cc2nnc(C3CC3)s2)c(C)n1-c1ccccc1 ZINC000895631326 1044831934 /nfs/dbraw/zinc/83/19/34/1044831934.db2.gz GZPISCIZEZTVAN-UHFFFAOYSA-N 1 2 338.480 4.113 20 10 EICDLO C[C@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cc(F)cc(F)c1O ZINC000762638927 1045323015 /nfs/dbraw/zinc/32/30/15/1045323015.db2.gz AHWYTTBIMCDCKF-DCBWTQNWSA-N 1 2 327.415 4.305 20 10 EICDLO Oc1ccc(CNc2[nH+]ccc3cccc(C(F)(F)F)c32)cc1O ZINC001169990618 1045782322 /nfs/dbraw/zinc/78/23/22/1045782322.db2.gz JOHCHALAPIKGSO-UHFFFAOYSA-N 1 2 334.297 4.277 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000769333121 1045925246 /nfs/dbraw/zinc/92/52/46/1045925246.db2.gz PDNHNODIGBXLGH-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3Cl)C2)c1 ZINC000769333121 1045925264 /nfs/dbraw/zinc/92/52/64/1045925264.db2.gz PDNHNODIGBXLGH-LJQANCHMSA-N 1 2 347.842 4.018 20 10 EICDLO Nc1cc(COC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)cc[nH+]1 ZINC000787584448 1047030664 /nfs/dbraw/zinc/03/06/64/1047030664.db2.gz JCGRLKYDECWLJP-UHFFFAOYSA-N 1 2 348.362 4.142 20 10 EICDLO CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)c1cccc(Cl)c1O ZINC000806133917 1047128722 /nfs/dbraw/zinc/12/87/22/1047128722.db2.gz FNCBBILSHQABES-QGZVFWFLSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](c1cccs1)N(C)C)c1cccc(Cl)c1O ZINC000806128210 1047150512 /nfs/dbraw/zinc/15/05/12/1047150512.db2.gz HVQWHQGTRGLLTG-GJZGRUSLSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@@H]([NH2+]CCCCn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131964 1047155177 /nfs/dbraw/zinc/15/51/77/1047155177.db2.gz QLUDYDHIIHIRCF-OAHLLOKOSA-N 1 2 342.270 4.417 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc(OC(C)C)nc1)c1cccc(Cl)c1O ZINC000806130732 1047155618 /nfs/dbraw/zinc/15/56/18/1047155618.db2.gz BKPSPTFXHRVYGH-MRXNPFEDSA-N 1 2 334.847 4.469 20 10 EICDLO CC[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccc(Cl)c1O ZINC000806141992 1047166613 /nfs/dbraw/zinc/16/66/13/1047166613.db2.gz BLEVBWUURHMLSL-MRXNPFEDSA-N 1 2 325.880 4.419 20 10 EICDLO CC[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)c1cccc(Cl)c1O ZINC000806148670 1047173102 /nfs/dbraw/zinc/17/31/02/1047173102.db2.gz JQUOMIKQSLFDMB-LBPRGKRZSA-N 1 2 347.768 4.039 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1nccn1-c1ccccc1)c1cc(F)cc(F)c1O ZINC000806176209 1047175724 /nfs/dbraw/zinc/17/57/24/1047175724.db2.gz JNXQUTJUXHKIAF-OLZOCXBDSA-N 1 2 343.377 4.268 20 10 EICDLO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1O ZINC000806154205 1047180096 /nfs/dbraw/zinc/18/00/96/1047180096.db2.gz DOLQAWASJGKJQX-SIUPPRGNSA-N 1 2 335.875 4.434 20 10 EICDLO CC[C@@H]([NH2+]CC[C@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000806160043 1047182962 /nfs/dbraw/zinc/18/29/62/1047182962.db2.gz DWKHMXUPCAMJQU-MJGOQNOKSA-N 1 2 333.859 4.384 20 10 EICDLO CC[C@@H]([NH2+]CC[C@@H](OC)C(F)(F)F)c1cccc(Cl)c1O ZINC000806162363 1047186786 /nfs/dbraw/zinc/18/67/86/1047186786.db2.gz VLFASTDLZGEKPJ-VXGBXAGGSA-N 1 2 325.758 4.054 20 10 EICDLO C[C@@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000806182861 1047192656 /nfs/dbraw/zinc/19/26/56/1047192656.db2.gz FPMFGMXVONIKRS-KBPBESRZSA-N 1 2 335.394 4.316 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789769985 1047469510 /nfs/dbraw/zinc/46/95/10/1047469510.db2.gz QAEDMSJLPZYGKN-AWEZNQCLSA-N 1 2 348.849 4.191 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001142527276 1047527467 /nfs/dbraw/zinc/52/74/67/1047527467.db2.gz RBHSZPGKBMYOLQ-INIZCTEOSA-N 1 2 325.305 4.286 20 10 EICDLO Oc1cc(F)c(F)cc1C[N@H+]1CCC[C@H]1c1ccc(F)cc1F ZINC001142527276 1047527492 /nfs/dbraw/zinc/52/74/92/1047527492.db2.gz RBHSZPGKBMYOLQ-INIZCTEOSA-N 1 2 325.305 4.286 20 10 EICDLO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2cccc(Cl)c2O)c(C)c1 ZINC000898218450 1047570001 /nfs/dbraw/zinc/57/00/01/1047570001.db2.gz HHYPLZBFTCAGMI-CQSZACIVSA-N 1 2 346.858 4.169 20 10 EICDLO CCCn1c2ccccc2nc1C[NH2+]Cc1cccc(Cl)c1O ZINC000898219882 1047572974 /nfs/dbraw/zinc/57/29/74/1047572974.db2.gz OMFDMYUEUCGDFX-UHFFFAOYSA-N 1 2 329.831 4.095 20 10 EICDLO CCCN(CCC)c1ccc(C[N@@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000809712715 1048492003 /nfs/dbraw/zinc/49/20/03/1048492003.db2.gz UGRBQBIPGDDLFE-SFHVURJKSA-N 1 2 340.458 4.169 20 10 EICDLO CCCN(CCC)c1ccc(C[N@H+]2CCOC[C@@H]2CC(F)F)cc1 ZINC000809712715 1048492015 /nfs/dbraw/zinc/49/20/15/1048492015.db2.gz UGRBQBIPGDDLFE-SFHVURJKSA-N 1 2 340.458 4.169 20 10 EICDLO Oc1ccc(C[N@@H+](Cc2cc(Cl)cc(F)c2O)CC2CC2)cc1 ZINC000809738166 1048510210 /nfs/dbraw/zinc/51/02/10/1048510210.db2.gz SDHJBNINJPEZRV-UHFFFAOYSA-N 1 2 335.806 4.303 20 10 EICDLO Oc1ccc(C[N@H+](Cc2cc(Cl)cc(F)c2O)CC2CC2)cc1 ZINC000809738166 1048510225 /nfs/dbraw/zinc/51/02/25/1048510225.db2.gz SDHJBNINJPEZRV-UHFFFAOYSA-N 1 2 335.806 4.303 20 10 EICDLO COC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cccc(Cl)c1 ZINC000809792718 1048535999 /nfs/dbraw/zinc/53/59/99/1048535999.db2.gz FFUHURIMLBWROF-HNNXBMFYSA-N 1 2 344.213 4.315 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCSC[C@H]2c2ccccc2)c1O ZINC000748049745 1048708828 /nfs/dbraw/zinc/70/88/28/1048708828.db2.gz QAKUHWDTJFZSMX-SFHVURJKSA-N 1 2 345.439 4.024 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CCSC[C@H]2c2ccccc2)c1O ZINC000748049745 1048708848 /nfs/dbraw/zinc/70/88/48/1048708848.db2.gz QAKUHWDTJFZSMX-SFHVURJKSA-N 1 2 345.439 4.024 20 10 EICDLO Oc1c(CNc2ccc(-n3cc[nH+]c3)c(F)c2)ccc2ccccc12 ZINC000816525769 1048831537 /nfs/dbraw/zinc/83/15/37/1048831537.db2.gz HXOOOVITGOSFHD-UHFFFAOYSA-N 1 2 333.366 4.482 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000846189210 1048837896 /nfs/dbraw/zinc/83/78/96/1048837896.db2.gz PPWNFVGUNPSNEE-XVGQJIODSA-N 1 2 333.859 4.383 20 10 EICDLO COc1ccc([N@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)C)cc1 ZINC001171277528 1049024070 /nfs/dbraw/zinc/02/40/70/1049024070.db2.gz ORNPRPOGCLLPRY-UHFFFAOYSA-N 1 2 328.412 4.309 20 10 EICDLO COc1ccc([N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC(C)C)cc1 ZINC001171277528 1049024081 /nfs/dbraw/zinc/02/40/81/1049024081.db2.gz ORNPRPOGCLLPRY-UHFFFAOYSA-N 1 2 328.412 4.309 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc2cnn(C)c2c1)c1cccc(Cl)c1O ZINC000812737508 1049556459 /nfs/dbraw/zinc/55/64/59/1049556459.db2.gz JIQCPUCJJZBAIW-INIZCTEOSA-N 1 2 329.831 4.173 20 10 EICDLO CCN(C)c1ccc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000773758528 1050518313 /nfs/dbraw/zinc/51/83/13/1050518313.db2.gz UTYJSTZIFFWJCK-UHFFFAOYSA-N 1 2 334.467 4.068 20 10 EICDLO CCN(C)c1ccc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)cc1 ZINC000773758528 1050518319 /nfs/dbraw/zinc/51/83/19/1050518319.db2.gz UTYJSTZIFFWJCK-UHFFFAOYSA-N 1 2 334.467 4.068 20 10 EICDLO CCC[N@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001204237371 1050618349 /nfs/dbraw/zinc/61/83/49/1050618349.db2.gz LTPVPRQCXJNEOC-VUCTXSBTSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cc(Cl)c(F)cc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001204237371 1050618353 /nfs/dbraw/zinc/61/83/53/1050618353.db2.gz LTPVPRQCXJNEOC-VUCTXSBTSA-N 1 2 341.854 4.210 20 10 EICDLO CCC[N@@H+](Cc1cccc(Cl)c1O)C[C@H]1COc2ccccc2O1 ZINC001180353381 1050965888 /nfs/dbraw/zinc/96/58/88/1050965888.db2.gz FHAMCGMCHUJLBT-HNNXBMFYSA-N 1 2 347.842 4.098 20 10 EICDLO CCC[N@H+](Cc1cccc(Cl)c1O)C[C@H]1COc2ccccc2O1 ZINC001180353381 1050965896 /nfs/dbraw/zinc/96/58/96/1050965896.db2.gz FHAMCGMCHUJLBT-HNNXBMFYSA-N 1 2 347.842 4.098 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001180378696 1050972623 /nfs/dbraw/zinc/97/26/23/1050972623.db2.gz DMCFDNKUYJJGIC-HNNXBMFYSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001180378696 1050972635 /nfs/dbraw/zinc/97/26/35/1050972635.db2.gz DMCFDNKUYJJGIC-HNNXBMFYSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC001180686939 1051062496 /nfs/dbraw/zinc/06/24/96/1051062496.db2.gz JLBOTXMCOOZSBY-UHFFFAOYSA-N 1 2 342.197 4.063 20 10 EICDLO COc1ccc(N(Cc2[nH+]cc(C)c(OC)c2C)C(C)C)cc1F ZINC001192139577 1051647071 /nfs/dbraw/zinc/64/70/71/1051647071.db2.gz GMIYCUDGANMTTB-UHFFFAOYSA-N 1 2 332.419 4.270 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC001183001649 1051761769 /nfs/dbraw/zinc/76/17/69/1051761769.db2.gz VAOBHZNEAQKXAM-OAUYIBNBSA-N 1 2 338.209 4.266 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658554 1052666153 /nfs/dbraw/zinc/66/61/53/1052666153.db2.gz OKWLJQIYSNXCBS-JTDSTZFVSA-N 1 2 342.458 4.235 20 10 EICDLO C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccc(F)cc1[O-] ZINC000185658554 1052666158 /nfs/dbraw/zinc/66/61/58/1052666158.db2.gz OKWLJQIYSNXCBS-JTDSTZFVSA-N 1 2 342.458 4.235 20 10 EICDLO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1O ZINC000850482028 1053251772 /nfs/dbraw/zinc/25/17/72/1053251772.db2.gz MCNUPRXIPMLULJ-SCZZXKLOSA-N 1 2 348.668 4.026 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc(Cl)c1O ZINC000850500467 1053259594 /nfs/dbraw/zinc/25/95/94/1053259594.db2.gz HBLSZGIHHHWGIP-QGZVFWFLSA-N 1 2 345.874 4.282 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)c1cscn1 ZINC000850511441 1053267396 /nfs/dbraw/zinc/26/73/96/1053267396.db2.gz FBTRHYVCYFQBEV-JGVFFNPUSA-N 1 2 345.237 4.162 20 10 EICDLO COc1ccc(Cl)cc1C[N@H+](C)Cc1cccc(Cl)c1O ZINC000775646374 1053338777 /nfs/dbraw/zinc/33/87/77/1053338777.db2.gz HZGSTBQCIYHASU-UHFFFAOYSA-N 1 2 326.223 4.340 20 10 EICDLO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cccc(Cl)c1O ZINC000775646374 1053338792 /nfs/dbraw/zinc/33/87/92/1053338792.db2.gz HZGSTBQCIYHASU-UHFFFAOYSA-N 1 2 326.223 4.340 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(Oc2ccccc2)CC1 ZINC000775653650 1053390070 /nfs/dbraw/zinc/39/00/70/1053390070.db2.gz LKGNMBVWAXAWJY-UHFFFAOYSA-N 1 2 335.806 4.228 20 10 EICDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@@H](C)CO1 ZINC000775715465 1053663457 /nfs/dbraw/zinc/66/34/57/1053663457.db2.gz XQCULVTZNDQDNC-KBXCAEBGSA-N 1 2 331.843 4.316 20 10 EICDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@@H](C)CO1 ZINC000775715465 1053663463 /nfs/dbraw/zinc/66/34/63/1053663463.db2.gz XQCULVTZNDQDNC-KBXCAEBGSA-N 1 2 331.843 4.316 20 10 EICDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2O)C1 ZINC000775713700 1053664216 /nfs/dbraw/zinc/66/42/16/1053664216.db2.gz LWDBNUNASHJHHW-CQSZACIVSA-N 1 2 347.817 4.280 20 10 EICDLO O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2O)C1 ZINC000775713700 1053664224 /nfs/dbraw/zinc/66/42/24/1053664224.db2.gz LWDBNUNASHJHHW-CQSZACIVSA-N 1 2 347.817 4.280 20 10 EICDLO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]Cc1cccc(Cl)c1O ZINC000775807526 1054033660 /nfs/dbraw/zinc/03/36/60/1054033660.db2.gz JJZFLIFJQGGCPC-UHFFFAOYSA-N 1 2 341.842 4.138 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000775827823 1054099867 /nfs/dbraw/zinc/09/98/67/1054099867.db2.gz JUGKDSYHKQFGKD-UHFFFAOYSA-N 1 2 331.721 4.234 20 10 EICDLO CN(C)c1cc(F)c(C[NH2+]Cc2nc(C(C)(C)C)cs2)cc1F ZINC000858129107 1054419946 /nfs/dbraw/zinc/41/99/46/1054419946.db2.gz DEWLCMXVISICKZ-UHFFFAOYSA-N 1 2 339.455 4.075 20 10 EICDLO CN(C)c1ccc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775989270 1054428394 /nfs/dbraw/zinc/42/83/94/1054428394.db2.gz GRMGBUMDRVNTJM-IBGZPJMESA-N 1 2 348.849 4.119 20 10 EICDLO CN(C)c1ccc(C[N@H+]2CCO[C@H](c3ccc(F)cc3Cl)C2)cc1 ZINC000775989270 1054428401 /nfs/dbraw/zinc/42/84/01/1054428401.db2.gz GRMGBUMDRVNTJM-IBGZPJMESA-N 1 2 348.849 4.119 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014465 1054439712 /nfs/dbraw/zinc/43/97/12/1054439712.db2.gz RWTWACPWQSLWBF-GZMMTYOYSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)cc(F)c1O ZINC000776014465 1054439720 /nfs/dbraw/zinc/43/97/20/1054439720.db2.gz RWTWACPWQSLWBF-GZMMTYOYSA-N 1 2 325.733 4.348 20 10 EICDLO Cc1cc(Br)ccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000776174513 1054802272 /nfs/dbraw/zinc/80/22/72/1054802272.db2.gz COWIHRPHTUUZKU-UHFFFAOYSA-N 1 2 340.648 4.406 20 10 EICDLO CC[C@@](C)([NH2+]Cc1cc(Cl)cc(F)c1O)c1nc(C)cs1 ZINC000776177278 1054804280 /nfs/dbraw/zinc/80/42/80/1054804280.db2.gz LXJHNLOPZFIYGL-OAHLLOKOSA-N 1 2 328.840 4.365 20 10 EICDLO CC1(C)C[N@H+](Cc2ccc(Br)cc2O)[C@@H]1c1cccnc1 ZINC000825959204 1055042814 /nfs/dbraw/zinc/04/28/14/1055042814.db2.gz COJDXEJOLLQFPC-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO CC1(C)C[N@@H+](Cc2ccc(Br)cc2O)[C@@H]1c1cccnc1 ZINC000825959204 1055042829 /nfs/dbraw/zinc/04/28/29/1055042829.db2.gz COJDXEJOLLQFPC-MRXNPFEDSA-N 1 2 347.256 4.133 20 10 EICDLO Cc1cnc(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)o1 ZINC000877498532 1055066713 /nfs/dbraw/zinc/06/67/13/1055066713.db2.gz QUWOIFROQKBWNK-CYBMUJFWSA-N 1 2 333.863 4.163 20 10 EICDLO CC[C@H]([NH2+]Cc1cccc(Cl)c1O)c1cccc(OC)c1OC ZINC000877708776 1055108805 /nfs/dbraw/zinc/10/88/05/1055108805.db2.gz VZWRHEHWPCJWFC-HNNXBMFYSA-N 1 2 335.831 4.304 20 10 EICDLO COCc1cccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)c1 ZINC000038010565 523054057 /nfs/dbraw/zinc/05/40/57/523054057.db2.gz BKZZZVOKGFSUAX-UHFFFAOYSA-N 1 2 326.223 4.135 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1nccn1-c1ccccc1 ZINC000377867658 1022064263 /nfs/dbraw/zinc/06/42/63/1022064263.db2.gz AKZOEQFQKPKLQZ-CYBMUJFWSA-N 1 2 327.815 4.082 20 10 EICDLO C[C@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1O ZINC000278822714 1022359901 /nfs/dbraw/zinc/35/99/01/1022359901.db2.gz SQVGXPQRBOEOPX-ISVAXAHUSA-N 1 2 326.227 4.150 20 10 EICDLO Cc1nnc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000278812724 1023484867 /nfs/dbraw/zinc/48/48/67/1023484867.db2.gz RZTKPCRMBBCFKF-BQBZGAKWSA-N 1 2 332.256 4.271 20 10 EICDLO Oc1cccc(Cl)c1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000377690469 1023689915 /nfs/dbraw/zinc/68/99/15/1023689915.db2.gz GOCIIGGLBLGLEW-OAHLLOKOSA-N 1 2 347.846 4.423 20 10 EICDLO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132544 1027403772 /nfs/dbraw/zinc/40/37/72/1027403772.db2.gz DLRUIADXCSNOPN-ZJUUUORDSA-N 1 2 332.669 4.429 20 10 EICDLO C[C@@H]1CC[C@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132544 1027403780 /nfs/dbraw/zinc/40/37/80/1027403780.db2.gz DLRUIADXCSNOPN-ZJUUUORDSA-N 1 2 332.669 4.429 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1nc(-c2cccc(F)c2)no1 ZINC000191531416 1030636919 /nfs/dbraw/zinc/63/69/19/1030636919.db2.gz CSYFVDUPQKKIQG-SNVBAGLBSA-N 1 2 347.777 4.086 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000780386172 1031646265 /nfs/dbraw/zinc/64/62/65/1031646265.db2.gz VHEFLGHLOKGCAI-SKDRFNHKSA-N 1 2 349.780 4.411 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)c1O ZINC000780386172 1031646268 /nfs/dbraw/zinc/64/62/68/1031646268.db2.gz VHEFLGHLOKGCAI-SKDRFNHKSA-N 1 2 349.780 4.411 20 10 EICDLO COc1cc(Cl)cc(C[N@@H+]2CCc3[nH]c4ccccc4c3C2)c1O ZINC000761182297 1035893966 /nfs/dbraw/zinc/89/39/66/1035893966.db2.gz AODUQTNAEVIUTD-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO COc1cc(Cl)cc(C[N@H+]2CCc3[nH]c4ccccc4c3C2)c1O ZINC000761182297 1035893971 /nfs/dbraw/zinc/89/39/71/1035893971.db2.gz AODUQTNAEVIUTD-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273417923 1037460491 /nfs/dbraw/zinc/46/04/91/1037460491.db2.gz RFOZDBGWSAKRHT-AUUYWEPGSA-N 1 2 339.414 4.013 20 10 EICDLO Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2nccn2C)c2ccccc2F)c1 ZINC000273417933 1037461024 /nfs/dbraw/zinc/46/10/24/1037461024.db2.gz RFOZDBGWSAKRHT-LIRRHRJNSA-N 1 2 339.414 4.013 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C1CCC(C(F)F)CC1 ZINC000282487528 1043241738 /nfs/dbraw/zinc/24/17/38/1043241738.db2.gz XGLFNJHTECQSRF-UHFFFAOYSA-N 1 2 334.204 4.068 20 10 EICDLO CCCCc1nc(C[N@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731846058 1043833854 /nfs/dbraw/zinc/83/38/54/1043833854.db2.gz PWWDMHCVWRHAFL-UHFFFAOYSA-N 1 2 329.444 4.063 20 10 EICDLO CCCCc1nc(C[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731846058 1043833857 /nfs/dbraw/zinc/83/38/57/1043833857.db2.gz PWWDMHCVWRHAFL-UHFFFAOYSA-N 1 2 329.444 4.063 20 10 EICDLO Oc1c(Br)cccc1C[NH2+][C@H]1CCSC2(CCC2)C1 ZINC000922846089 1044991407 /nfs/dbraw/zinc/99/14/07/1044991407.db2.gz SHOSBVWLSGOIHH-LBPRGKRZSA-N 1 2 342.302 4.063 20 10 EICDLO C[N@H+](CC(=O)OC(C)(C)C)Cc1cc2oc3ccccc3c2cc1O ZINC000738117254 1045038790 /nfs/dbraw/zinc/03/87/90/1045038790.db2.gz NJAJZRQJCSSROD-UHFFFAOYSA-N 1 2 341.407 4.065 20 10 EICDLO C[N@@H+](CC(=O)OC(C)(C)C)Cc1cc2oc3ccccc3c2cc1O ZINC000738117254 1045038805 /nfs/dbraw/zinc/03/88/05/1045038805.db2.gz NJAJZRQJCSSROD-UHFFFAOYSA-N 1 2 341.407 4.065 20 10 EICDLO COc1cccc(Cl)c1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790996343 1045649025 /nfs/dbraw/zinc/64/90/25/1045649025.db2.gz NROGBIQLIPCGKJ-UHFFFAOYSA-N 1 2 330.186 4.137 20 10 EICDLO Nc1ccc(CNC(=O)Nc2ccc(N=Nc3ccccc3)cc2)c[nH+]1 ZINC000791093613 1045693779 /nfs/dbraw/zinc/69/37/79/1045693779.db2.gz MWBFHPGSOWZXQU-UHFFFAOYSA-N 1 2 346.394 4.401 20 10 EICDLO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2cc(-c3ccccc3)ccc2O)no1 ZINC000768962041 1045870048 /nfs/dbraw/zinc/87/00/48/1045870048.db2.gz BXXLWFWNTRXQPB-IBGZPJMESA-N 1 2 349.434 4.478 20 10 EICDLO Cc1nc([C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccc3)ccc2O)no1 ZINC000768962041 1045870052 /nfs/dbraw/zinc/87/00/52/1045870052.db2.gz BXXLWFWNTRXQPB-IBGZPJMESA-N 1 2 349.434 4.478 20 10 EICDLO Cn1cc(CC[NH2+]Cc2cccc(Cl)c2O)c2ccc(F)cc21 ZINC000770668164 1046244102 /nfs/dbraw/zinc/24/41/02/1046244102.db2.gz KOCTZPZSLDPBEC-UHFFFAOYSA-N 1 2 332.806 4.009 20 10 EICDLO c1cc(N2CCCCC2)ccc1CNc1ccc(N2CCCC2)c[nH+]1 ZINC000916842311 1046385052 /nfs/dbraw/zinc/38/50/52/1046385052.db2.gz BUTVBDOCHCQXRV-UHFFFAOYSA-N 1 2 336.483 4.284 20 10 EICDLO CC[C@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cccc(Cl)c1O ZINC000806125728 1047149348 /nfs/dbraw/zinc/14/93/48/1047149348.db2.gz FBBPEAXXTZHUOE-INIZCTEOSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](c1ccsc1)N(C)C)c1cccc(Cl)c1O ZINC000806129588 1047150210 /nfs/dbraw/zinc/15/02/10/1047150210.db2.gz GXDOMFGCSZXMOR-HOTGVXAUSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@@H]([NH2+]CCOc1ccccc1OC)c1cccc(Cl)c1O ZINC000806129414 1047153583 /nfs/dbraw/zinc/15/35/83/1047153583.db2.gz VXFLKEGJEWSIFH-OAHLLOKOSA-N 1 2 335.831 4.174 20 10 EICDLO CC[C@H]([NH2+]CCC[C@H]1CCCC[C@@H]1O)c1cccc(Cl)c1O ZINC000806149996 1047172936 /nfs/dbraw/zinc/17/29/36/1047172936.db2.gz ZUECSGCZWCILKU-COXVUDFISA-N 1 2 325.880 4.418 20 10 EICDLO CC[C@H]([NH2+]CCOc1ncccc1Cl)c1cccc(Cl)c1O ZINC000806147161 1047173197 /nfs/dbraw/zinc/17/31/97/1047173197.db2.gz GKWLJEIXDFDMBT-AWEZNQCLSA-N 1 2 341.238 4.214 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1cccc(F)c1)c1cccc(Cl)c1O ZINC000806147224 1047173525 /nfs/dbraw/zinc/17/35/25/1047173525.db2.gz HAKNKIHRKGIHHR-ZTFRIQLXSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806157070 1047179371 /nfs/dbraw/zinc/17/93/71/1047179371.db2.gz BCCKSQYTFVXIKD-MAUKXSAKSA-N 1 2 333.859 4.080 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045460 1048025128 /nfs/dbraw/zinc/02/51/28/1048025128.db2.gz FEWFLOFUIMUBDG-LBPRGKRZSA-N 1 2 327.733 4.240 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cc(-c2ccccc2)on1 ZINC000816544516 1048826754 /nfs/dbraw/zinc/82/67/54/1048826754.db2.gz KTVDBVRACKLUCU-UHFFFAOYSA-N 1 2 332.762 4.130 20 10 EICDLO Oc1c(CNc2ccc([NH+]3CCC(O)CC3)cc2)ccc2ccccc21 ZINC000816522455 1048828033 /nfs/dbraw/zinc/82/80/33/1048828033.db2.gz AAZBKRXFDHWSRO-UHFFFAOYSA-N 1 2 348.446 4.119 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000816529200 1048831156 /nfs/dbraw/zinc/83/11/56/1048831156.db2.gz KHXDESOPKYKRIQ-LJQANCHMSA-N 1 2 342.801 4.459 20 10 EICDLO CC(C)(C)OC(=O)CCCCC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816553872 1048834539 /nfs/dbraw/zinc/83/45/39/1048834539.db2.gz JBMVWFXVNWIIKH-UHFFFAOYSA-N 1 2 345.842 4.176 20 10 EICDLO COCc1cc[nH+]c(N[C@@H](C)c2cc(Cl)c(Cl)cc2O)c1 ZINC000846213279 1048841356 /nfs/dbraw/zinc/84/13/56/1048841356.db2.gz QYKWNGSNNNOFGS-VIFPVBQESA-N 1 2 327.211 4.414 20 10 EICDLO OCC1([C@@H]([NH2+]Cc2cc(Cl)cc(F)c2O)c2ccccc2)CCC1 ZINC000816631003 1048845180 /nfs/dbraw/zinc/84/51/80/1048845180.db2.gz AZXQTRSMLYUPHA-SFHVURJKSA-N 1 2 349.833 4.178 20 10 EICDLO CC(C)(C)c1cc(C[N@@H+]2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811514665 1049129362 /nfs/dbraw/zinc/12/93/62/1049129362.db2.gz BYBZUUSSGWETMG-UHFFFAOYSA-N 1 2 341.499 4.200 20 10 EICDLO CC(C)(C)c1cc(C[N@H+]2CCn3cncc3C2)c(O)c(C(C)(C)C)c1 ZINC000811514665 1049129375 /nfs/dbraw/zinc/12/93/75/1049129375.db2.gz BYBZUUSSGWETMG-UHFFFAOYSA-N 1 2 341.499 4.200 20 10 EICDLO C[C@H](OCCC[NH2+]Cc1cc(Cl)cc(F)c1O)c1ccccc1 ZINC001177142252 1050154962 /nfs/dbraw/zinc/15/49/62/1050154962.db2.gz BAIFVQSWKQOUSF-ZDUSSCGKSA-N 1 2 337.822 4.442 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773751741 1050506160 /nfs/dbraw/zinc/50/61/60/1050506160.db2.gz GPUSDKIVRYWLPG-HNNXBMFYSA-N 1 2 347.528 4.329 20 10 EICDLO CCO[C@@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773751741 1050506179 /nfs/dbraw/zinc/50/61/79/1050506179.db2.gz GPUSDKIVRYWLPG-HNNXBMFYSA-N 1 2 347.528 4.329 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]C[C@@H]1C[C@@H]1C1CCCC1 ZINC001179815996 1050784867 /nfs/dbraw/zinc/78/48/67/1050784867.db2.gz JNPSBEXKNXWMCT-SMDDNHRTSA-N 1 2 342.252 4.210 20 10 EICDLO CN(C)c1cc(F)c(C[N@@H+]2CC[C@@](F)(c3ccccc3)C2)cc1F ZINC001181214204 1051188078 /nfs/dbraw/zinc/18/80/78/1051188078.db2.gz ROBLFTMFOJHQAA-IBGZPJMESA-N 1 2 334.385 4.102 20 10 EICDLO CN(C)c1cc(F)c(C[N@H+]2CC[C@@](F)(c3ccccc3)C2)cc1F ZINC001181214204 1051188095 /nfs/dbraw/zinc/18/80/95/1051188095.db2.gz ROBLFTMFOJHQAA-IBGZPJMESA-N 1 2 334.385 4.102 20 10 EICDLO CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491578 1051588466 /nfs/dbraw/zinc/58/84/66/1051588466.db2.gz FEYPPBXHCHVABG-MFKMUULPSA-N 1 2 328.243 4.025 20 10 EICDLO C[C@@H]1CC[N@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783947 1051900918 /nfs/dbraw/zinc/90/09/18/1051900918.db2.gz MONPPGFSHGGLBP-MRVPVSSYSA-N 1 2 338.167 4.015 20 10 EICDLO C[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C(F)(F)F)c2O)C1 ZINC001237783947 1051900925 /nfs/dbraw/zinc/90/09/25/1051900925.db2.gz MONPPGFSHGGLBP-MRVPVSSYSA-N 1 2 338.167 4.015 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cscn1)c1cc(Br)c(F)cc1O ZINC000850512145 1053269598 /nfs/dbraw/zinc/26/95/98/1053269598.db2.gz WRGOFCCZPYOGFE-SFYZADRCSA-N 1 2 345.237 4.162 20 10 EICDLO CC[C@H]([NH2+]Cc1cc(COC)cs1)c1cccc(Cl)c1O ZINC000850533238 1053297597 /nfs/dbraw/zinc/29/75/97/1053297597.db2.gz TXIGPANJIKGLAF-HNNXBMFYSA-N 1 2 325.861 4.494 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000850574352 1053328768 /nfs/dbraw/zinc/32/87/68/1053328768.db2.gz XPTNGVYYKFDNRW-JEBQAFNWSA-N 1 2 333.859 4.251 20 10 EICDLO CN(c1ccccc1)C1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775665382 1053432404 /nfs/dbraw/zinc/43/24/04/1053432404.db2.gz PARYOIUNELZEHX-UHFFFAOYSA-N 1 2 348.849 4.286 20 10 EICDLO COCCC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000794822930 1053437758 /nfs/dbraw/zinc/43/77/58/1053437758.db2.gz DMVISQLMVLEGTN-YOEHRIQHSA-N 1 2 349.421 4.359 20 10 EICDLO Cc1cc(Cl)cc(C[N@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000775675804 1053534951 /nfs/dbraw/zinc/53/49/51/1053534951.db2.gz DICDUTHUGJDDQJ-UHFFFAOYSA-N 1 2 341.842 4.280 20 10 EICDLO Cc1cc(Cl)cc(C[N@@H+](Cc2cc[nH]n2)Cc2ccccc2)c1O ZINC000775675804 1053534968 /nfs/dbraw/zinc/53/49/68/1053534968.db2.gz DICDUTHUGJDDQJ-UHFFFAOYSA-N 1 2 341.842 4.280 20 10 EICDLO CCOCc1cc(C[NH2+][C@@H](CF)c2ccc(F)cc2)ccc1OC ZINC000865823846 1053602169 /nfs/dbraw/zinc/60/21/69/1053602169.db2.gz WCFRNIYWPNTBOU-SFHVURJKSA-N 1 2 335.394 4.171 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC001198919304 1054303904 /nfs/dbraw/zinc/30/39/04/1054303904.db2.gz WQNRFRNLXVZUCD-SFHVURJKSA-N 1 2 342.801 4.459 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261572 1054427830 /nfs/dbraw/zinc/42/78/30/1054427830.db2.gz HVQIMAFVYPQTET-OAHLLOKOSA-N 1 2 327.827 4.108 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872261572 1054427836 /nfs/dbraw/zinc/42/78/36/1054427836.db2.gz HVQIMAFVYPQTET-OAHLLOKOSA-N 1 2 327.827 4.108 20 10 EICDLO CCCOc1ccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)cc1C ZINC000873109361 1054485972 /nfs/dbraw/zinc/48/59/72/1054485972.db2.gz NOSRGBRZVGEOMC-UHFFFAOYSA-N 1 2 346.471 4.377 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCCc1c[nH]c2ccccc12 ZINC000776174709 1054802135 /nfs/dbraw/zinc/80/21/35/1054802135.db2.gz RWKOCFMNSLHTDF-UHFFFAOYSA-N 1 2 332.806 4.388 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(Br)cc1F ZINC000776187552 1054803992 /nfs/dbraw/zinc/80/39/92/1054803992.db2.gz IPRLUEDDXLFOIE-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO CCOC(=O)c1ccc(Nc2ccc([NH2+]C(C)C)cc2)c(OC)c1 ZINC001201498919 1054819906 /nfs/dbraw/zinc/81/99/06/1054819906.db2.gz GPXKXRPKKDKVQA-UHFFFAOYSA-N 1 2 328.412 4.436 20 10 EICDLO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000765825901 1055805078 /nfs/dbraw/zinc/80/50/78/1055805078.db2.gz XGTMJJPKUVTBDV-QITLCBANSA-N 1 2 333.378 4.241 20 10 EICDLO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(Cl)cc1Cl)CCC2 ZINC001203393003 1020679928 /nfs/dbraw/zinc/67/99/28/1020679928.db2.gz RYSBTYLFNKYYGO-UHFFFAOYSA-N 1 2 338.234 4.353 20 10 EICDLO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(Cl)cc1Cl)CCC2 ZINC001203393003 1020679933 /nfs/dbraw/zinc/67/99/33/1020679933.db2.gz RYSBTYLFNKYYGO-UHFFFAOYSA-N 1 2 338.234 4.353 20 10 EICDLO CCc1cnc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)s1 ZINC000177174202 1031396899 /nfs/dbraw/zinc/39/68/99/1031396899.db2.gz WSJPCRDTKXGOSR-UHFFFAOYSA-N 1 2 334.485 4.046 20 10 EICDLO CCc1cnc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(O)c2O)s1 ZINC000177174202 1031396906 /nfs/dbraw/zinc/39/69/06/1031396906.db2.gz WSJPCRDTKXGOSR-UHFFFAOYSA-N 1 2 334.485 4.046 20 10 EICDLO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c1 ZINC000273417927 1037461360 /nfs/dbraw/zinc/46/13/60/1037461360.db2.gz RFOZDBGWSAKRHT-IFXJQAMLSA-N 1 2 339.414 4.013 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000273543156 1037501423 /nfs/dbraw/zinc/50/14/23/1037501423.db2.gz XJWQRVPFQPUZIR-DOTOQJQBSA-N 1 2 335.806 4.195 20 10 EICDLO Oc1cc(Br)cc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233031605 1040116196 /nfs/dbraw/zinc/11/61/96/1040116196.db2.gz HYBVMAJMIVAHLW-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1cc(Br)cc(F)c1C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC001233031605 1040116212 /nfs/dbraw/zinc/11/62/12/1040116212.db2.gz HYBVMAJMIVAHLW-YGRLFVJLSA-N 1 2 328.225 4.058 20 10 EICDLO CCC[N@H+](Cc1ccccc1O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000727831417 1043312516 /nfs/dbraw/zinc/31/25/16/1043312516.db2.gz ZWLRHQSIDXTTIQ-UHFFFAOYSA-N 1 2 345.311 4.500 20 10 EICDLO CCC[N@@H+](Cc1ccccc1O)Cc1c(F)c(F)c(F)c(F)c1F ZINC000727831417 1043312520 /nfs/dbraw/zinc/31/25/20/1043312520.db2.gz ZWLRHQSIDXTTIQ-UHFFFAOYSA-N 1 2 345.311 4.500 20 10 EICDLO CC(F)(F)C(C)(C)C[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715816581 1044850447 /nfs/dbraw/zinc/85/04/47/1044850447.db2.gz BVGBCWVNQBYNNW-UHFFFAOYSA-N 1 2 340.183 4.065 20 10 EICDLO CCCCOc1ncccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790955122 1045634315 /nfs/dbraw/zinc/63/43/15/1045634315.db2.gz BAGUDXAPQRMHSI-UHFFFAOYSA-N 1 2 338.810 4.048 20 10 EICDLO Oc1ccc(CNc2ccc3[nH]c(-c4ccccc4)[nH+]c3c2)cc1O ZINC001169996910 1045845979 /nfs/dbraw/zinc/84/59/79/1045845979.db2.gz MAWAGNRMQCNCIM-UHFFFAOYSA-N 1 2 331.375 4.253 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000769333120 1045922908 /nfs/dbraw/zinc/92/29/08/1045922908.db2.gz PDNHNODIGBXLGH-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccccc3Cl)C2)c1 ZINC000769333120 1045922921 /nfs/dbraw/zinc/92/29/21/1045922921.db2.gz PDNHNODIGBXLGH-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO COc1ccc(C[NH2+][C@@H](c2ccco2)c2ccccc2OC)cc1C ZINC000769420528 1045954628 /nfs/dbraw/zinc/95/46/28/1045954628.db2.gz XNIXMJMQWJPDNE-OAQYLSRUSA-N 1 2 337.419 4.484 20 10 EICDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)[C@@H]1c1ccccc1 ZINC000769538302 1046011837 /nfs/dbraw/zinc/01/18/37/1046011837.db2.gz COKRTZPKGKUZDQ-LRDDRELGSA-N 1 2 332.241 4.348 20 10 EICDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@@H]1c1ccccc1 ZINC000769538302 1046011856 /nfs/dbraw/zinc/01/18/56/1046011856.db2.gz COKRTZPKGKUZDQ-LRDDRELGSA-N 1 2 332.241 4.348 20 10 EICDLO C[C@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@H]1c1ccccc1 ZINC000769538300 1046014249 /nfs/dbraw/zinc/01/42/49/1046014249.db2.gz COKRTZPKGKUZDQ-BLLLJJGKSA-N 1 2 332.241 4.348 20 10 EICDLO C[C@H]1C[N@H+](Cc2cccc(Br)c2O)[C@H]1c1ccccc1 ZINC000769538300 1046014235 /nfs/dbraw/zinc/01/42/35/1046014235.db2.gz COKRTZPKGKUZDQ-BLLLJJGKSA-N 1 2 332.241 4.348 20 10 EICDLO CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(Cl)c1[O-] ZINC000806136995 1047130652 /nfs/dbraw/zinc/13/06/52/1047130652.db2.gz JMRFNLASTWGXTK-INIZCTEOSA-N 1 2 333.863 4.374 20 10 EICDLO C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1cc(F)cc(F)c1O ZINC000788259666 1047147035 /nfs/dbraw/zinc/14/70/35/1047147035.db2.gz OKSPIQQFKVIYAB-JTQLQIEISA-N 1 2 343.320 4.165 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1)c1cccc(Cl)c1O ZINC000806128148 1047151196 /nfs/dbraw/zinc/15/11/96/1047151196.db2.gz GPRIQPIXDDOMAJ-LPHOPBHVSA-N 1 2 344.886 4.361 20 10 EICDLO CC[C@H]([NH2+][C@H](C)Cc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806141143 1047168835 /nfs/dbraw/zinc/16/88/35/1047168835.db2.gz GUXXQWIDFMVCJS-DIFFPNOSSA-N 1 2 335.879 4.068 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@@H](O)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806148812 1047172636 /nfs/dbraw/zinc/17/26/36/1047172636.db2.gz KUBDKPYPYLCPQD-BVGQSLNGSA-N 1 2 333.859 4.078 20 10 EICDLO CC[C@H]([NH2+]CC1([C@@H](C)CCO)CCC1)c1cccc(Cl)c1O ZINC000806150601 1047175206 /nfs/dbraw/zinc/17/52/06/1047175206.db2.gz WJGQIGBDFKAQBK-BBRMVZONSA-N 1 2 325.880 4.275 20 10 EICDLO CC[C@@H]([NH2+]CC1([C@H](C)CCO)CCC1)c1cccc(Cl)c1O ZINC000806150603 1047175809 /nfs/dbraw/zinc/17/58/09/1047175809.db2.gz WJGQIGBDFKAQBK-CZUORRHYSA-N 1 2 325.880 4.275 20 10 EICDLO CC[C@@H]([NH2+][C@@H](CCOC)Cc1ccco1)c1cccc(Cl)c1O ZINC000806159218 1047183427 /nfs/dbraw/zinc/18/34/27/1047183427.db2.gz ZVPZHDXUGWNXTI-SUMWQHHRSA-N 1 2 337.847 4.327 20 10 EICDLO CC(C)[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000788622324 1047252419 /nfs/dbraw/zinc/25/24/19/1047252419.db2.gz QXBKXBJQMAZWIX-IGNZVWTISA-N 1 2 335.394 4.079 20 10 EICDLO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1cccc(Cl)c1O ZINC000898219521 1047568767 /nfs/dbraw/zinc/56/87/67/1047568767.db2.gz YQQVGNNTDOYMAT-ZDUSSCGKSA-N 1 2 346.858 4.115 20 10 EICDLO CC[C@H](Cc1cccs1)[NH2+]Cc1cccc(Br)c1O ZINC000775147520 1047971131 /nfs/dbraw/zinc/97/11/31/1047971131.db2.gz UWLPHSZPGIMKON-GFCCVEGCSA-N 1 2 340.286 4.327 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)Cc2csc([C@@H](C)OC)n2)cc1 ZINC000747530527 1048140163 /nfs/dbraw/zinc/14/01/63/1048140163.db2.gz OWWRNIQPSPJFEV-OAHLLOKOSA-N 1 2 347.528 4.329 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2csc([C@@H](C)OC)n2)cc1 ZINC000747530527 1048140173 /nfs/dbraw/zinc/14/01/73/1048140173.db2.gz OWWRNIQPSPJFEV-OAHLLOKOSA-N 1 2 347.528 4.329 20 10 EICDLO COc1ccc(Cl)c(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1F ZINC001143898962 1048287948 /nfs/dbraw/zinc/28/79/48/1048287948.db2.gz FMVJUVIPVMQUSZ-UHFFFAOYSA-N 1 2 336.838 4.186 20 10 EICDLO COc1ccc(Cl)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1F ZINC001143898962 1048287966 /nfs/dbraw/zinc/28/79/66/1048287966.db2.gz FMVJUVIPVMQUSZ-UHFFFAOYSA-N 1 2 336.838 4.186 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000816550657 1048828602 /nfs/dbraw/zinc/82/86/02/1048828602.db2.gz XSNQTRYACYFBLN-UHFFFAOYSA-N 1 2 336.769 4.137 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1cccc(Cl)c1O ZINC000846202975 1048841242 /nfs/dbraw/zinc/84/12/42/1048841242.db2.gz JKDDYVUMQBVCMV-OLMNPRSZSA-N 1 2 346.858 4.402 20 10 EICDLO CCOC(=O)CCCC[N@@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001171353925 1049508402 /nfs/dbraw/zinc/50/84/02/1049508402.db2.gz OCVVVXBXBRKRKT-KRWDZBQOSA-N 1 2 333.472 4.063 20 10 EICDLO CCOC(=O)CCCC[N@H+]1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC001171353925 1049508419 /nfs/dbraw/zinc/50/84/19/1049508419.db2.gz OCVVVXBXBRKRKT-KRWDZBQOSA-N 1 2 333.472 4.063 20 10 EICDLO COc1ccccc1C(C)(C)C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001177565878 1050253700 /nfs/dbraw/zinc/25/37/00/1050253700.db2.gz KTGVFJZCLLJKHI-UHFFFAOYSA-N 1 2 337.822 4.261 20 10 EICDLO CC[C@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001177834157 1050310379 /nfs/dbraw/zinc/31/03/79/1050310379.db2.gz DXWKIQLAXMVTHP-ZDUSSCGKSA-N 1 2 342.886 4.175 20 10 EICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773751745 1050506315 /nfs/dbraw/zinc/50/63/15/1050506315.db2.gz GPUSDKIVRYWLPG-OAHLLOKOSA-N 1 2 347.528 4.329 20 10 EICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2ccc(N(C)CC)cc2)cs1 ZINC000773751745 1050506329 /nfs/dbraw/zinc/50/63/29/1050506329.db2.gz GPUSDKIVRYWLPG-OAHLLOKOSA-N 1 2 347.528 4.329 20 10 EICDLO C[C@@H](CCc1ccsc1)[NH2+]Cc1cccc(Br)c1O ZINC000775151406 1050642078 /nfs/dbraw/zinc/64/20/78/1050642078.db2.gz FPISKFLWDYCETJ-NSHDSACASA-N 1 2 340.286 4.327 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC001179771922 1050768138 /nfs/dbraw/zinc/76/81/38/1050768138.db2.gz RIEXRYUGUVBROT-UHFFFAOYSA-N 1 2 331.721 4.234 20 10 EICDLO C[C@@H](c1nc2ccccc2s1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001180249723 1050933783 /nfs/dbraw/zinc/93/37/83/1050933783.db2.gz YFXDNZVYSRBHNA-JTQLQIEISA-N 1 2 334.391 4.473 20 10 EICDLO C[C@@H](c1nc2ccccc2s1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001180249723 1050933791 /nfs/dbraw/zinc/93/37/91/1050933791.db2.gz YFXDNZVYSRBHNA-JTQLQIEISA-N 1 2 334.391 4.473 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001180379348 1050975968 /nfs/dbraw/zinc/97/59/68/1050975968.db2.gz ZCGHBUFWAOYVNS-INIZCTEOSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCSC[C@H]1c1ccccc1 ZINC001180379348 1050975985 /nfs/dbraw/zinc/97/59/85/1050975985.db2.gz ZCGHBUFWAOYVNS-INIZCTEOSA-N 1 2 337.847 4.475 20 10 EICDLO CC[N@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(OC)cc1 ZINC001191839914 1051566906 /nfs/dbraw/zinc/56/69/06/1051566906.db2.gz UJCPHYBRACASTJ-UHFFFAOYSA-N 1 2 348.487 4.311 20 10 EICDLO CC[N@@H+](CCCN(C(=O)OC(C)(C)C)C1CC1)c1ccc(OC)cc1 ZINC001191839914 1051566920 /nfs/dbraw/zinc/56/69/20/1051566920.db2.gz UJCPHYBRACASTJ-UHFFFAOYSA-N 1 2 348.487 4.311 20 10 EICDLO CCSCc1ccc[nH+]c1NCc1cc(Cl)c(F)cc1O ZINC001183491439 1051847148 /nfs/dbraw/zinc/84/71/48/1051847148.db2.gz PPXBPGZHPBVEON-UHFFFAOYSA-N 1 2 326.824 4.445 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2c(F)cccc2F)c1O ZINC000774866969 1052228252 /nfs/dbraw/zinc/22/82/52/1052228252.db2.gz XBJQJVQDWDRTMH-VIFPVBQESA-N 1 2 339.769 4.377 20 10 EICDLO Cn1c2ccc(NCc3ccc(F)c(F)c3O)cc2[nH+]c1C1CC1 ZINC000864031437 1053169442 /nfs/dbraw/zinc/16/94/42/1053169442.db2.gz ZZPSMAIZHSBAGF-UHFFFAOYSA-N 1 2 329.350 4.047 20 10 EICDLO CC[C@H]([NH2+]CCc1noc2ccccc21)c1cccc(Cl)c1O ZINC000850482066 1053252872 /nfs/dbraw/zinc/25/28/72/1053252872.db2.gz DSGYWOCSEBUBLQ-HNNXBMFYSA-N 1 2 330.815 4.470 20 10 EICDLO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1O ZINC000850482027 1053254275 /nfs/dbraw/zinc/25/42/75/1053254275.db2.gz MCNUPRXIPMLULJ-PSASIEDQSA-N 1 2 348.668 4.026 20 10 EICDLO CC[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(Cl)c1O ZINC000850486000 1053257411 /nfs/dbraw/zinc/25/74/11/1053257411.db2.gz PYIVDTMUYDIBCH-LBPRGKRZSA-N 1 2 345.752 4.095 20 10 EICDLO CC[C@H]([NH2+]Cc1cccnc1N1CCCC1)c1cccc(Cl)c1O ZINC000850500465 1053260637 /nfs/dbraw/zinc/26/06/37/1053260637.db2.gz HBLSZGIHHHWGIP-KRWDZBQOSA-N 1 2 345.874 4.282 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000850574354 1053329992 /nfs/dbraw/zinc/32/99/92/1053329992.db2.gz XPTNGVYYKFDNRW-KKXDTOCCSA-N 1 2 333.859 4.251 20 10 EICDLO CC(C)CCOC1CC[NH+](Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775659609 1053424182 /nfs/dbraw/zinc/42/41/82/1053424182.db2.gz ZFXCEZZGKSBMGA-UHFFFAOYSA-N 1 2 329.843 4.212 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775669851 1053477441 /nfs/dbraw/zinc/47/74/41/1053477441.db2.gz RDQMDNHSOCLVOF-MJGOQNOKSA-N 1 2 349.833 4.273 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000775669851 1053477442 /nfs/dbraw/zinc/47/74/42/1053477442.db2.gz RDQMDNHSOCLVOF-MJGOQNOKSA-N 1 2 349.833 4.273 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000775674466 1053502749 /nfs/dbraw/zinc/50/27/49/1053502749.db2.gz CXVLZTVZXDHXRW-MRXNPFEDSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000775674466 1053502764 /nfs/dbraw/zinc/50/27/64/1053502764.db2.gz CXVLZTVZXDHXRW-MRXNPFEDSA-N 1 2 345.826 4.154 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000775737551 1053736346 /nfs/dbraw/zinc/73/63/46/1053736346.db2.gz PNDAVYCHIIPLHF-KRWDZBQOSA-N 1 2 349.833 4.018 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000775737551 1053736370 /nfs/dbraw/zinc/73/63/70/1053736370.db2.gz PNDAVYCHIIPLHF-KRWDZBQOSA-N 1 2 349.833 4.018 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(Cl)c1O ZINC000858449584 1054493435 /nfs/dbraw/zinc/49/34/35/1054493435.db2.gz OMFNMWZAAXGABL-QWHCGFSZSA-N 1 2 347.768 4.086 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]CCCOc1cccc2cccnc21 ZINC000776170507 1054802558 /nfs/dbraw/zinc/80/25/58/1054802558.db2.gz VDPKUBODRITRSI-UHFFFAOYSA-N 1 2 342.826 4.153 20 10 EICDLO COC(=O)c1ccc(Nc2ccc([NH2+]C(C)C)cc2)c(C(C)=O)c1 ZINC001201500297 1054822768 /nfs/dbraw/zinc/82/27/68/1054822768.db2.gz YHLMDEILNHFZMX-UHFFFAOYSA-N 1 2 326.396 4.240 20 10 EICDLO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccnc(F)c2)cc1 ZINC000862366647 1055057486 /nfs/dbraw/zinc/05/74/86/1055057486.db2.gz MTMYWMKMJMQUKH-UHFFFAOYSA-N 1 2 339.414 4.082 20 10 EICDLO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccnc(F)c2)cc1 ZINC000862366647 1055057499 /nfs/dbraw/zinc/05/74/99/1055057499.db2.gz MTMYWMKMJMQUKH-UHFFFAOYSA-N 1 2 339.414 4.082 20 10 EICDLO CCCCCn1cc(C[NH2+]Cc2cc(Cl)cc(F)c2O)c(C)n1 ZINC000776253320 1055060769 /nfs/dbraw/zinc/06/07/69/1055060769.db2.gz MEGMGAXWHOLOTH-UHFFFAOYSA-N 1 2 339.842 4.170 20 10 EICDLO Cc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776248852 1055068479 /nfs/dbraw/zinc/06/84/79/1055068479.db2.gz POGOEKDUMGTBHA-UHFFFAOYSA-N 1 2 327.758 4.245 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000776256979 1055091972 /nfs/dbraw/zinc/09/19/72/1055091972.db2.gz UWXZALIEKZJYCC-GUYCJALGSA-N 1 2 335.806 4.052 20 10 EICDLO C[C@H]([NH2+][C@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1O ZINC000278822718 1022361573 /nfs/dbraw/zinc/36/15/73/1022361573.db2.gz SQVGXPQRBOEOPX-SDBXPKJASA-N 1 2 326.227 4.150 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000398094807 1023682314 /nfs/dbraw/zinc/68/23/14/1023682314.db2.gz KHIPNVUPMQMDOW-GUXCAODWSA-N 1 2 342.458 4.093 20 10 EICDLO C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccc(F)cc1[O-] ZINC000398094807 1023682320 /nfs/dbraw/zinc/68/23/20/1023682320.db2.gz KHIPNVUPMQMDOW-GUXCAODWSA-N 1 2 342.458 4.093 20 10 EICDLO COCC[C@@H]([NH2+][C@@H](C)c1ccc(F)c(F)c1O)c1ccc(C)o1 ZINC000276892916 1024673611 /nfs/dbraw/zinc/67/36/11/1024673611.db2.gz IBCIXMBJMZGSDX-SMDDNHRTSA-N 1 2 325.355 4.000 20 10 EICDLO C[C@H]([NH2+][C@@H](c1nccs1)c1ccccc1)c1ccc(F)cc1O ZINC000185234997 1030135236 /nfs/dbraw/zinc/13/52/36/1030135236.db2.gz HGVOSEMQPNKVAX-YVEFUNNKSA-N 1 2 328.412 4.428 20 10 EICDLO Cc1cc(C[NH2+][C@H](c2nccs2)c2ccccc2)ccc1N(C)C ZINC000271768146 1037011223 /nfs/dbraw/zinc/01/12/23/1037011223.db2.gz DQSRYCDWUWWMQM-IBGZPJMESA-N 1 2 337.492 4.397 20 10 EICDLO CC1(C)CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715791200 1044601739 /nfs/dbraw/zinc/60/17/39/1044601739.db2.gz ZBFGPXGEZBBGGN-CYBMUJFWSA-N 1 2 330.241 4.352 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000735324620 1044795430 /nfs/dbraw/zinc/79/54/30/1044795430.db2.gz WIHRWTSHZRKUQK-ZDUSSCGKSA-N 1 2 346.268 4.049 20 10 EICDLO C[C@@]1(C[NH2+]Cc2cc(Cl)cc(F)c2O)CCOC2(CCC2)C1 ZINC000895822092 1044918863 /nfs/dbraw/zinc/91/88/63/1044918863.db2.gz MZBPYSFABQUHEE-MRXNPFEDSA-N 1 2 327.827 4.014 20 10 EICDLO C[C@@H]([NH2+]CCC1CC(OC(C)(C)C)C1)c1cc(F)cc(F)c1O ZINC000762638933 1045323157 /nfs/dbraw/zinc/32/31/57/1045323157.db2.gz AHWYTTBIMCDCKF-LKSINWNRSA-N 1 2 327.415 4.305 20 10 EICDLO CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1c(O)cccc1Cl ZINC000768169088 1045734697 /nfs/dbraw/zinc/73/46/97/1045734697.db2.gz FMZVLHSXCNOGQP-UHFFFAOYSA-N 1 2 346.858 4.205 20 10 EICDLO CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1c(O)cccc1Cl ZINC000768169088 1045734716 /nfs/dbraw/zinc/73/47/16/1045734716.db2.gz FMZVLHSXCNOGQP-UHFFFAOYSA-N 1 2 346.858 4.205 20 10 EICDLO C[N@H+](Cc1nccn1C(F)F)Cc1cc(-c2ccccc2)ccc1O ZINC000768350895 1045797251 /nfs/dbraw/zinc/79/72/51/1045797251.db2.gz WJDRQHLTWODRSU-UHFFFAOYSA-N 1 2 343.377 4.283 20 10 EICDLO C[N@@H+](Cc1nccn1C(F)F)Cc1cc(-c2ccccc2)ccc1O ZINC000768350895 1045797259 /nfs/dbraw/zinc/79/72/59/1045797259.db2.gz WJDRQHLTWODRSU-UHFFFAOYSA-N 1 2 343.377 4.283 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174952 1045872969 /nfs/dbraw/zinc/87/29/69/1045872969.db2.gz OGRLQEAOXNVZHP-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@H](C(F)(F)F)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174952 1045872973 /nfs/dbraw/zinc/87/29/73/1045872973.db2.gz OGRLQEAOXNVZHP-WCBMZHEXSA-N 1 2 325.733 4.348 20 10 EICDLO CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3ccc4c(c3)CCO4)n2)cc1 ZINC000792181615 1045875209 /nfs/dbraw/zinc/87/52/09/1045875209.db2.gz SOWSRLGEURMPLW-CQSZACIVSA-N 1 2 349.434 4.085 20 10 EICDLO CCC[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000793235921 1046181669 /nfs/dbraw/zinc/18/16/69/1046181669.db2.gz HXBTWWWALOMSQA-AEFFLSMTSA-N 1 2 337.822 4.177 20 10 EICDLO COC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(Cl)cc1 ZINC000785545182 1046706717 /nfs/dbraw/zinc/70/67/17/1046706717.db2.gz SCQVUGRRILVXGG-CQSZACIVSA-N 1 2 344.213 4.315 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1O ZINC000805750835 1047003386 /nfs/dbraw/zinc/00/33/86/1047003386.db2.gz VSXHWDDAQOWNSC-KPZWWZAWSA-N 1 2 344.842 4.226 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@@H](C)C[C@@H]2c2cccnc2)c1O ZINC000805750835 1047003407 /nfs/dbraw/zinc/00/34/07/1047003407.db2.gz VSXHWDDAQOWNSC-KPZWWZAWSA-N 1 2 344.842 4.226 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1O ZINC000806132135 1047129174 /nfs/dbraw/zinc/12/91/74/1047129174.db2.gz RJYHGHOKIRJHGJ-GOSISDBHSA-N 1 2 341.842 4.472 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1O ZINC000806129973 1047149955 /nfs/dbraw/zinc/14/99/55/1047149955.db2.gz NHCBRHIAQRXPRJ-HOTGVXAUSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1O ZINC000806130557 1047155309 /nfs/dbraw/zinc/15/53/09/1047155309.db2.gz ARAAEDJFPCFKPB-CVEARBPZSA-N 1 2 335.879 4.398 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1O ZINC000806149141 1047173151 /nfs/dbraw/zinc/17/31/51/1047173151.db2.gz BCUGFSPSMAUAOG-CZUORRHYSA-N 1 2 339.863 4.162 20 10 EICDLO CC[C@H]([NH2+][C@@H](C)[C@H](O)Cc1ccccc1)c1cccc(Cl)c1O ZINC000806148813 1047173365 /nfs/dbraw/zinc/17/33/65/1047173365.db2.gz KUBDKPYPYLCPQD-DOPJRALCSA-N 1 2 333.859 4.078 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1O ZINC000806159083 1047182380 /nfs/dbraw/zinc/18/23/80/1047182380.db2.gz XIOLWGOUNDZHDN-ZIAGYGMSSA-N 1 2 339.769 4.498 20 10 EICDLO CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)c1cccc(Cl)c1O ZINC000806159945 1047182424 /nfs/dbraw/zinc/18/24/24/1047182424.db2.gz OFSFHABROUQMSB-INIZCTEOSA-N 1 2 343.858 4.216 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](O)c1cc(C)cc(C)c1)c1cccc(Cl)c1O ZINC000806164673 1047189302 /nfs/dbraw/zinc/18/93/02/1047189302.db2.gz ANNWSHRXPYSAHP-MSOLQXFVSA-N 1 2 333.859 4.437 20 10 EICDLO C[C@H](CCOCc1ccccc1)[NH2+][C@@H](C)c1cc(F)cc(F)c1O ZINC000806182862 1047192905 /nfs/dbraw/zinc/19/29/05/1047192905.db2.gz FPMFGMXVONIKRS-KGLIPLIRSA-N 1 2 335.394 4.316 20 10 EICDLO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)c(F)cc1O ZINC000806178371 1047200710 /nfs/dbraw/zinc/20/07/10/1047200710.db2.gz FYSIEVFLZUATAL-NXEZZACHSA-N 1 2 348.281 4.088 20 10 EICDLO CCOC[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1O)C(C)C ZINC000788986334 1047342513 /nfs/dbraw/zinc/34/25/13/1047342513.db2.gz XWVCZZMYGAZZBD-IINYFYTJSA-N 1 2 348.256 4.006 20 10 EICDLO CC(C)[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000789780427 1047475807 /nfs/dbraw/zinc/47/58/07/1047475807.db2.gz VXJGBZJPUGDEFG-AEFFLSMTSA-N 1 2 337.822 4.033 20 10 EICDLO COc1cc(C[NH2+]Cc2cccc(Cl)c2O)ccc1OC(C)C ZINC000898220337 1047573256 /nfs/dbraw/zinc/57/32/56/1047573256.db2.gz ZCQCEXVPJUJJPM-UHFFFAOYSA-N 1 2 335.831 4.131 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)c1cnn(CC2CCC2)c1 ZINC000898178640 1047576384 /nfs/dbraw/zinc/57/63/84/1047576384.db2.gz DEWUDAUKWINKDO-LLVKDONJSA-N 1 2 337.826 4.032 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825045741 1048024411 /nfs/dbraw/zinc/02/44/11/1048024411.db2.gz KGZZMEPCMJBIFS-LLVKDONJSA-N 1 2 345.723 4.379 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698577 1048459827 /nfs/dbraw/zinc/45/98/27/1048459827.db2.gz CSYZDCGSKXZIFJ-ZHALLVOQSA-N 1 2 343.854 4.050 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000809698577 1048459832 /nfs/dbraw/zinc/45/98/32/1048459832.db2.gz CSYZDCGSKXZIFJ-ZHALLVOQSA-N 1 2 343.854 4.050 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1c(F)cncc1F)c1cccc(C(F)(F)F)c1O ZINC000815625996 1048551178 /nfs/dbraw/zinc/55/11/78/1048551178.db2.gz RUTRUOUNARVPKR-BDAKNGLRSA-N 1 2 346.299 4.496 20 10 EICDLO CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(C(F)(F)F)cc2O)CC1 ZINC000810208247 1048706170 /nfs/dbraw/zinc/70/61/70/1048706170.db2.gz VIOXQDVXIDFCPS-MRXNPFEDSA-N 1 2 344.421 4.326 20 10 EICDLO CC[C@H]([NH2+][C@@H](CO)[C@@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000806145744 1048796193 /nfs/dbraw/zinc/79/61/93/1048796193.db2.gz GAZSFRNXQFFUNS-KKXDTOCCSA-N 1 2 333.859 4.251 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC000816557783 1048835762 /nfs/dbraw/zinc/83/57/62/1048835762.db2.gz BENKYBSOCKEPDN-UHFFFAOYSA-N 1 2 338.791 4.191 20 10 EICDLO COc1c(F)ccc(F)c1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001144754690 1048846038 /nfs/dbraw/zinc/84/60/38/1048846038.db2.gz LHMQFWQCVJGINF-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO COc1c(F)ccc(F)c1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001144754690 1048846039 /nfs/dbraw/zinc/84/60/39/1048846039.db2.gz LHMQFWQCVJGINF-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO C[C@@H](Nc1ccc2c(c1)CC[NH2+]2)c1cc(Br)ccc1O ZINC000817950390 1049064373 /nfs/dbraw/zinc/06/43/73/1049064373.db2.gz VGXLZXYBGGGTMI-SNVBAGLBSA-N 1 2 333.229 4.296 20 10 EICDLO Cc1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1-n1cc[nH+]c1 ZINC001178139114 1050385863 /nfs/dbraw/zinc/38/58/63/1050385863.db2.gz NEPIMHWEOPYGJK-UHFFFAOYSA-N 1 2 342.393 4.137 20 10 EICDLO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)CC3 ZINC001178336335 1050438483 /nfs/dbraw/zinc/43/84/83/1050438483.db2.gz BDBGTESDUCLQDN-CQSZACIVSA-N 1 2 342.389 4.107 20 10 EICDLO Oc1c(F)cc(F)cc1C[NH2+][C@H](c1cccc(F)c1)c1ccccn1 ZINC001178369232 1050446783 /nfs/dbraw/zinc/44/67/83/1050446783.db2.gz IAQCBZFIKGVECK-GOSISDBHSA-N 1 2 344.336 4.084 20 10 EICDLO CCN(CC)c1ccc(CNc2ccc(-c3cnn(C)c3)c(C)[nH+]2)cc1 ZINC001178777613 1050562199 /nfs/dbraw/zinc/56/21/99/1050562199.db2.gz BZYPAPXQZDWSOW-UHFFFAOYSA-N 1 2 349.482 4.249 20 10 EICDLO CN(C)c1cc(F)c(C[N@H+](C)Cc2ccc(Cl)c(F)c2)cc1F ZINC001179944965 1050828153 /nfs/dbraw/zinc/82/81/53/1050828153.db2.gz CFABZFDGVMVFPY-UHFFFAOYSA-N 1 2 342.792 4.455 20 10 EICDLO CN(C)c1cc(F)c(C[N@@H+](C)Cc2ccc(Cl)c(F)c2)cc1F ZINC001179944965 1050828159 /nfs/dbraw/zinc/82/81/59/1050828159.db2.gz CFABZFDGVMVFPY-UHFFFAOYSA-N 1 2 342.792 4.455 20 10 EICDLO CC[C@@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775491579 1051590012 /nfs/dbraw/zinc/59/00/12/1051590012.db2.gz FEYPPBXHCHVABG-ZWNOBZJWSA-N 1 2 328.243 4.025 20 10 EICDLO Cc1csc(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001183854621 1051906306 /nfs/dbraw/zinc/90/63/06/1051906306.db2.gz IVJHFOHPFNZOCM-ZDUSSCGKSA-N 1 2 336.888 4.265 20 10 EICDLO Cc1csc(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3O)C2)n1 ZINC001183854621 1051906313 /nfs/dbraw/zinc/90/63/13/1051906313.db2.gz IVJHFOHPFNZOCM-ZDUSSCGKSA-N 1 2 336.888 4.265 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245465 1052550312 /nfs/dbraw/zinc/55/03/12/1052550312.db2.gz WVWHRIYITGSNNP-GJZGRUSLSA-N 1 2 348.487 4.156 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(F)cc1[O-] ZINC000185245465 1052550315 /nfs/dbraw/zinc/55/03/15/1052550315.db2.gz WVWHRIYITGSNNP-GJZGRUSLSA-N 1 2 348.487 4.156 20 10 EICDLO CCSC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CC1 ZINC000850551310 1053305721 /nfs/dbraw/zinc/30/57/21/1053305721.db2.gz GSLQMSIGYLQLRR-VIFPVBQESA-N 1 2 348.281 4.230 20 10 EICDLO CN(C)c1ccc(C[N@H+](Cc2cccc(Cl)c2O)C2CC2)cc1 ZINC000775649988 1053387203 /nfs/dbraw/zinc/38/72/03/1053387203.db2.gz VWGQQYDSGMBQSA-UHFFFAOYSA-N 1 2 330.859 4.276 20 10 EICDLO CN(C)c1ccc(C[N@@H+](Cc2cccc(Cl)c2O)C2CC2)cc1 ZINC000775649988 1053387220 /nfs/dbraw/zinc/38/72/20/1053387220.db2.gz VWGQQYDSGMBQSA-UHFFFAOYSA-N 1 2 330.859 4.276 20 10 EICDLO CCc1cc(C[N@H+](C)Cc2nnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000853617669 1053691225 /nfs/dbraw/zinc/69/12/25/1053691225.db2.gz JFNUGXREUWEDEJ-UHFFFAOYSA-N 1 2 333.501 4.044 20 10 EICDLO CCc1cc(C[N@@H+](C)Cc2nnc(C)s2)c(O)c(C(C)(C)C)c1 ZINC000853617669 1053691231 /nfs/dbraw/zinc/69/12/31/1053691231.db2.gz JFNUGXREUWEDEJ-UHFFFAOYSA-N 1 2 333.501 4.044 20 10 EICDLO COc1ccc2cc(C[NH2+]Cc3cccc(Cl)c3O)ccc2c1 ZINC000775851592 1054147059 /nfs/dbraw/zinc/14/70/59/1054147059.db2.gz UFRMNRBGAIGCGO-UHFFFAOYSA-N 1 2 327.811 4.497 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000775854328 1054172381 /nfs/dbraw/zinc/17/23/81/1054172381.db2.gz OGVJLRCKWZIEHL-UHFFFAOYSA-N 1 2 345.748 4.277 20 10 EICDLO Oc1cccc(Br)c1CNc1ccc([NH+]2CCCC2)cc1 ZINC000858101442 1054416742 /nfs/dbraw/zinc/41/67/42/1054416742.db2.gz PVMUFKNQGPLSCU-UHFFFAOYSA-N 1 2 347.256 4.367 20 10 EICDLO CCc1cc(S(C)(=O)=O)ccc1Nc1ccc([NH2+]C(C)C)cc1 ZINC001201499955 1054822109 /nfs/dbraw/zinc/82/21/09/1054822109.db2.gz VCPHOMGTIZCDFC-UHFFFAOYSA-N 1 2 332.469 4.216 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2cc(Br)ccc2C(N)=O)cc1 ZINC001201499873 1054822218 /nfs/dbraw/zinc/82/22/18/1054822218.db2.gz RWGFMOWQXDPBEP-UHFFFAOYSA-N 1 2 348.244 4.112 20 10 EICDLO CO[C@H](C[NH2+]Cc1cccc(Cl)c1O)c1ccc(Cl)cc1 ZINC000776220194 1054936502 /nfs/dbraw/zinc/93/65/02/1054936502.db2.gz LMPNETJBGMHFFI-OAHLLOKOSA-N 1 2 326.223 4.176 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000776222705 1054937850 /nfs/dbraw/zinc/93/78/50/1054937850.db2.gz RLEZRRFXPQNXHT-MRXNPFEDSA-N 1 2 337.847 4.305 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C1(CCOCc2ccccc2)CC1 ZINC000776253182 1055060884 /nfs/dbraw/zinc/06/08/84/1055060884.db2.gz KBFXKQVQKCMGCI-UHFFFAOYSA-N 1 2 349.833 4.414 20 10 EICDLO CC(C)n1ccnc1C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000172522599 1055598901 /nfs/dbraw/zinc/59/89/01/1055598901.db2.gz AKAPWNRKLGPHCB-UHFFFAOYSA-N 1 2 326.488 4.086 20 10 EICDLO CC(C)n1ccnc1C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000172522599 1055598927 /nfs/dbraw/zinc/59/89/27/1055598927.db2.gz AKAPWNRKLGPHCB-UHFFFAOYSA-N 1 2 326.488 4.086 20 10 EICDLO CC[C@@H](c1ccccc1O)[N@@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905077 1022084333 /nfs/dbraw/zinc/08/43/33/1022084333.db2.gz HGKYVWCMIGVAMA-PBHICJAKSA-N 1 2 340.471 4.169 20 10 EICDLO CC[C@@H](c1ccccc1O)[N@H+]1CCn2c(C3CCCC3)nnc2[C@H]1C ZINC000377905077 1022084351 /nfs/dbraw/zinc/08/43/51/1022084351.db2.gz HGKYVWCMIGVAMA-PBHICJAKSA-N 1 2 340.471 4.169 20 10 EICDLO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1cc(Cl)c(Cl)cc1O ZINC000278822712 1022361477 /nfs/dbraw/zinc/36/14/77/1022361477.db2.gz SQVGXPQRBOEOPX-AMIZOPFISA-N 1 2 326.227 4.150 20 10 EICDLO Cc1cccc(CNc2cccc3c2CN(c2cccc[nH+]2)C3)c1O ZINC000378456385 1022830162 /nfs/dbraw/zinc/83/01/62/1022830162.db2.gz OEZDMTPGMWSDQH-UHFFFAOYSA-N 1 2 331.419 4.228 20 10 EICDLO C[C@@H](N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184919590 1022970947 /nfs/dbraw/zinc/97/09/47/1022970947.db2.gz UCOCRDSCEWZQEU-BEFAXECRSA-N 1 2 328.431 4.019 20 10 EICDLO O=C(c1cccs1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000376833727 1023320962 /nfs/dbraw/zinc/32/09/62/1023320962.db2.gz SZIZOCMCEXEMHI-UHFFFAOYSA-N 1 2 335.856 4.202 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCO[C@]2(CCSC2)C1)c1cccc(Cl)c1O ZINC000377407728 1023517290 /nfs/dbraw/zinc/51/72/90/1023517290.db2.gz BQNZRBARTWXMSQ-YLQAJVPDSA-N 1 2 341.904 4.141 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799462 1023763521 /nfs/dbraw/zinc/76/35/21/1023763521.db2.gz VCPRFKRESMCZTH-GWCFXTLKSA-N 1 2 340.254 4.020 20 10 EICDLO Cc1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2O)s1 ZINC000708176189 1027834804 /nfs/dbraw/zinc/83/48/04/1027834804.db2.gz DNXGICCGWKUQPE-UHFFFAOYSA-N 1 2 346.677 4.468 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1nc(-c2cccc(F)c2)no1 ZINC000191531403 1030638915 /nfs/dbraw/zinc/63/89/15/1030638915.db2.gz CSYFVDUPQKKIQG-JTQLQIEISA-N 1 2 347.777 4.086 20 10 EICDLO C[C@H]([NH2+]C1CCC(O)(c2ccccc2)CC1)c1cc(F)cc(F)c1O ZINC000760909942 1037659857 /nfs/dbraw/zinc/65/98/57/1037659857.db2.gz TXMMDSRQJHYQNW-CZTOGXCSSA-N 1 2 347.405 4.151 20 10 EICDLO Cc1cc([NH+](C)C)ccc1NCc1cccc(Br)c1O ZINC000058624879 1037898164 /nfs/dbraw/zinc/89/81/64/1037898164.db2.gz CPFDJJRJQQGKSK-UHFFFAOYSA-N 1 2 335.245 4.141 20 10 EICDLO CCOc1ccc(N2CC[NH+](Cc3ccc(F)cc3Cl)CC2)cc1 ZINC001168331587 1038993770 /nfs/dbraw/zinc/99/37/70/1038993770.db2.gz KZPIPNMEKLIXRL-UHFFFAOYSA-N 1 2 348.849 4.200 20 10 EICDLO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)cc(F)c1O ZINC000715788232 1044574910 /nfs/dbraw/zinc/57/49/10/1044574910.db2.gz IVQFTZXSRPLPLI-QMTHXVAHSA-N 1 2 330.241 4.352 20 10 EICDLO CCc1cc(C[N@@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739871425 1045168690 /nfs/dbraw/zinc/16/86/90/1045168690.db2.gz COFTUXVXGLGIKR-OAHLLOKOSA-N 1 2 345.405 4.015 20 10 EICDLO CCc1cc(C[N@H+]2CCO[C@@H](C(F)(F)F)C2)c(O)c(C(C)(C)C)c1 ZINC000739871425 1045168706 /nfs/dbraw/zinc/16/87/06/1045168706.db2.gz COFTUXVXGLGIKR-OAHLLOKOSA-N 1 2 345.405 4.015 20 10 EICDLO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1cc(Br)cc(F)c1O ZINC001118238440 1045212900 /nfs/dbraw/zinc/21/29/00/1045212900.db2.gz IDKDJPJQQGUEIJ-INTQDDNPSA-N 1 2 334.204 4.225 20 10 EICDLO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000768273444 1045776941 /nfs/dbraw/zinc/77/69/41/1045776941.db2.gz ZQWJLRPDOJAPCE-BQBZGAKWSA-N 1 2 344.146 4.285 20 10 EICDLO Oc1cccc(Cl)c1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768376605 1045804320 /nfs/dbraw/zinc/80/43/20/1045804320.db2.gz UHUAWRZWVHQPAQ-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000768376605 1045804315 /nfs/dbraw/zinc/80/43/15/1045804315.db2.gz UHUAWRZWVHQPAQ-QGZVFWFLSA-N 1 2 338.234 4.273 20 10 EICDLO COc1cccc(O)c1C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000768871216 1045849736 /nfs/dbraw/zinc/84/97/36/1045849736.db2.gz JSBVTVXPCZZXJW-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO COc1cccc(O)c1C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000768871216 1045849741 /nfs/dbraw/zinc/84/97/41/1045849741.db2.gz JSBVTVXPCZZXJW-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000792191844 1045876749 /nfs/dbraw/zinc/87/67/49/1045876749.db2.gz BZDJSMCOGIZEJC-AWEZNQCLSA-N 1 2 327.827 4.156 20 10 EICDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000769210171 1045895454 /nfs/dbraw/zinc/89/54/54/1045895454.db2.gz XCXLZBAYAXAHTJ-UHFFFAOYSA-N 1 2 343.298 4.149 20 10 EICDLO Oc1c(Cl)cc(Cl)cc1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000769210171 1045895459 /nfs/dbraw/zinc/89/54/59/1045895459.db2.gz XCXLZBAYAXAHTJ-UHFFFAOYSA-N 1 2 343.298 4.149 20 10 EICDLO CCN(Cc1ccccc1)c1ccc(C[N@H+](C)Cc2ccon2)cc1 ZINC000769466369 1045982607 /nfs/dbraw/zinc/98/26/07/1045982607.db2.gz MPGMSYZTOLXOAA-UHFFFAOYSA-N 1 2 335.451 4.333 20 10 EICDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)Cc2ccon2)cc1 ZINC000769466369 1045982620 /nfs/dbraw/zinc/98/26/20/1045982620.db2.gz MPGMSYZTOLXOAA-UHFFFAOYSA-N 1 2 335.451 4.333 20 10 EICDLO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000769498535 1045998006 /nfs/dbraw/zinc/99/80/06/1045998006.db2.gz KLDKHODPVUQVPI-CYBMUJFWSA-N 1 2 343.298 4.007 20 10 EICDLO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000769498535 1045998021 /nfs/dbraw/zinc/99/80/21/1045998021.db2.gz KLDKHODPVUQVPI-CYBMUJFWSA-N 1 2 343.298 4.007 20 10 EICDLO C[C@H]([NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc(F)cc(F)c1O ZINC000769989454 1046123653 /nfs/dbraw/zinc/12/36/53/1046123653.db2.gz NBNHRFSBUVOUHY-LXIYXOSZSA-N 1 2 334.410 4.012 20 10 EICDLO Cc1ccccc1[C@H]([C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1O)N(C)C ZINC000785573704 1046723483 /nfs/dbraw/zinc/72/34/83/1046723483.db2.gz SYGCLTJLWUTQSM-KSMMKXTCSA-N 1 2 348.437 4.321 20 10 EICDLO CC[C@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)c1cccc(Cl)c1O ZINC000806134652 1047127194 /nfs/dbraw/zinc/12/71/94/1047127194.db2.gz AFLMKWHARPZHSB-INIZCTEOSA-N 1 2 336.838 4.492 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1O ZINC000806135863 1047132483 /nfs/dbraw/zinc/13/24/83/1047132483.db2.gz XNVLGOKNNPSEIM-GOSISDBHSA-N 1 2 341.842 4.472 20 10 EICDLO CCCOc1ccc(C[NH2+][C@@H](CC)c2cccc(Cl)c2O)cn1 ZINC000806137701 1047134209 /nfs/dbraw/zinc/13/42/09/1047134209.db2.gz MSMRFLKRPVYDJF-INIZCTEOSA-N 1 2 334.847 4.470 20 10 EICDLO CC[C@H]([NH2+][C@@H]1COc2c(cccc2OC)C1)c1cccc(Cl)c1O ZINC000806138214 1047136350 /nfs/dbraw/zinc/13/63/50/1047136350.db2.gz XCGUETVBQWRKHE-BBRMVZONSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(Cl)c1O ZINC000806137477 1047136453 /nfs/dbraw/zinc/13/64/53/1047136453.db2.gz OQEGFHATNLKMBH-GFCCVEGCSA-N 1 2 347.768 4.045 20 10 EICDLO CC[C@@H]([NH2+]CCOc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806128020 1047147345 /nfs/dbraw/zinc/14/73/45/1047147345.db2.gz MGKCSYVNDDTRQV-QGZVFWFLSA-N 1 2 335.831 4.174 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H](c1ccccc1)N(C)C)c1cccc(Cl)c1O ZINC000806128720 1047148106 /nfs/dbraw/zinc/14/81/06/1047148106.db2.gz NWPSNAMFKWXCCP-MSOLQXFVSA-N 1 2 332.875 4.389 20 10 EICDLO CC[C@H]([NH2+][C@@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1O ZINC000806130558 1047155484 /nfs/dbraw/zinc/15/54/84/1047155484.db2.gz ARAAEDJFPCFKPB-HOTGVXAUSA-N 1 2 335.879 4.398 20 10 EICDLO C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)cc1)c1cc(F)cc(F)c1O ZINC000806176353 1047163172 /nfs/dbraw/zinc/16/31/72/1047163172.db2.gz KQQQJZRNKKAIDZ-MGPLVRAMSA-N 1 2 341.785 4.098 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@H](O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806141211 1047168635 /nfs/dbraw/zinc/16/86/35/1047168635.db2.gz QHHWIYABQUSCCJ-NVGVWMPQSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@@H](O)c1ccc(F)cc1)c1cccc(Cl)c1O ZINC000806141212 1047168986 /nfs/dbraw/zinc/16/89/86/1047168986.db2.gz QHHWIYABQUSCCJ-ZTFRIQLXSA-N 1 2 337.822 4.348 20 10 EICDLO CC[C@@H]([NH2+]C[C@H]1OCCc2ccccc21)c1cccc(Cl)c1O ZINC000806146267 1047169932 /nfs/dbraw/zinc/16/99/32/1047169932.db2.gz MOSWRKMLCAXZKR-QZTJIDSGSA-N 1 2 331.843 4.400 20 10 EICDLO CC[C@H]([NH2+][C@H]1COc2cc(F)cc(F)c21)c1cccc(Cl)c1O ZINC000806159080 1047182003 /nfs/dbraw/zinc/18/20/03/1047182003.db2.gz XIOLWGOUNDZHDN-KBPBESRZSA-N 1 2 339.769 4.498 20 10 EICDLO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cc(Br)cc(F)c1O ZINC000806179718 1047201268 /nfs/dbraw/zinc/20/12/68/1047201268.db2.gz VGDLYTCEGNEPPJ-VHSXEESVSA-N 1 2 348.281 4.088 20 10 EICDLO CC(C)c1nnc([C@@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788690085 1047263178 /nfs/dbraw/zinc/26/31/78/1047263178.db2.gz WBYXPNIEPKKLII-NXEZZACHSA-N 1 2 342.365 4.064 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000789767946 1047469578 /nfs/dbraw/zinc/46/95/78/1047469578.db2.gz FSYCAZGEFJHJSI-HNNXBMFYSA-N 1 2 330.859 4.052 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21 ZINC000825046086 1048025638 /nfs/dbraw/zinc/02/56/38/1048025638.db2.gz QAHCWPMOOSYYIJ-LBPRGKRZSA-N 1 2 345.723 4.379 20 10 EICDLO Cn1c[nH+]cc1CNc1cc(Cl)ccc1C(=O)c1ccc(F)cc1 ZINC000809195583 1048266877 /nfs/dbraw/zinc/26/68/77/1048266877.db2.gz UQDOJHNEZFHTTO-UHFFFAOYSA-N 1 2 343.789 4.056 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000846014306 1048787877 /nfs/dbraw/zinc/78/78/77/1048787877.db2.gz FWQSSNMLKPCGNQ-UHFFFAOYSA-N 1 2 341.707 4.051 20 10 EICDLO CCc1nc([C@H]2CCCC[N@@H+]2Cc2ccc3ccccc3c2O)no1 ZINC000816494516 1048815345 /nfs/dbraw/zinc/81/53/45/1048815345.db2.gz OPCHKOAPOUUVOC-QGZVFWFLSA-N 1 2 337.423 4.218 20 10 EICDLO CCc1nc([C@H]2CCCC[N@H+]2Cc2ccc3ccccc3c2O)no1 ZINC000816494516 1048815353 /nfs/dbraw/zinc/81/53/53/1048815353.db2.gz OPCHKOAPOUUVOC-QGZVFWFLSA-N 1 2 337.423 4.218 20 10 EICDLO Cc1csc(CCCC[NH2+]Cc2cc(Cl)c(F)cc2O)n1 ZINC000816546091 1048828170 /nfs/dbraw/zinc/82/81/70/1048828170.db2.gz VNBLBBCZQADSBB-UHFFFAOYSA-N 1 2 328.840 4.062 20 10 EICDLO CC[C@H]([NH2+][C@H](C)[C@](C)(O)c1ccccc1)c1cccc(Cl)c1O ZINC000846189207 1048838277 /nfs/dbraw/zinc/83/82/77/1048838277.db2.gz PPWNFVGUNPSNEE-FMEYXAORSA-N 1 2 333.859 4.383 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]([NH3+])c1ccccc1)c1ccc(Cl)c(Cl)c1[O-] ZINC000817955161 1049066163 /nfs/dbraw/zinc/06/61/63/1049066163.db2.gz RNTJQZVMYDGETB-HUUCEWRRSA-N 1 2 339.266 4.440 20 10 EICDLO C=Cc1ccc(CC[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000812772806 1049568746 /nfs/dbraw/zinc/56/87/46/1049568746.db2.gz JCZVMTQRWOXBND-UHFFFAOYSA-N 1 2 332.241 4.130 20 10 EICDLO CN(Cc1cccs1)c1ccc(C[N@H+](C)Cc2nccs2)cc1 ZINC000823458608 1049848713 /nfs/dbraw/zinc/84/87/13/1049848713.db2.gz ANSXKTGOJCBUHP-UHFFFAOYSA-N 1 2 343.521 4.473 20 10 EICDLO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2nccs2)cc1 ZINC000823458608 1049848715 /nfs/dbraw/zinc/84/87/15/1049848715.db2.gz ANSXKTGOJCBUHP-UHFFFAOYSA-N 1 2 343.521 4.473 20 10 EICDLO CN(Cc1cccs1)c1ccc(C[N@H+](C)Cc2cscn2)cc1 ZINC000823419298 1049848973 /nfs/dbraw/zinc/84/89/73/1049848973.db2.gz XSDFAQTZQFQMQE-UHFFFAOYSA-N 1 2 343.521 4.473 20 10 EICDLO CN(Cc1cccs1)c1ccc(C[N@@H+](C)Cc2cscn2)cc1 ZINC000823419298 1049848975 /nfs/dbraw/zinc/84/89/75/1049848975.db2.gz XSDFAQTZQFQMQE-UHFFFAOYSA-N 1 2 343.521 4.473 20 10 EICDLO CC(C)c1cnc(C[NH2+]Cc2cccc(Br)c2O)s1 ZINC000775153925 1050645914 /nfs/dbraw/zinc/64/59/14/1050645914.db2.gz WWIFNWAZYMCDMO-UHFFFAOYSA-N 1 2 341.274 4.024 20 10 EICDLO COc1cccc(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(F)c2O)c1 ZINC001179967107 1050850680 /nfs/dbraw/zinc/85/06/80/1050850680.db2.gz YDWYULXONHGCSL-MRXNPFEDSA-N 1 2 349.833 4.400 20 10 EICDLO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc(Cl)cc(F)c2O)c1 ZINC001179967107 1050850685 /nfs/dbraw/zinc/85/06/85/1050850685.db2.gz YDWYULXONHGCSL-MRXNPFEDSA-N 1 2 349.833 4.400 20 10 EICDLO Oc1c(F)c(F)ccc1C[NH+]1CCC(=Cc2cccc(F)c2)CC1 ZINC001181464818 1051233667 /nfs/dbraw/zinc/23/36/67/1051233667.db2.gz QIUDVBJOYAPLIJ-UHFFFAOYSA-N 1 2 333.353 4.489 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1c(Cl)cccc1-n1ccnc1 ZINC001182035478 1051376557 /nfs/dbraw/zinc/37/65/57/1051376557.db2.gz ZVHOULGBVRRVBI-UHFFFAOYSA-N 1 2 348.233 4.175 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+]CCc1cnc2ccccc2c1 ZINC001183727391 1051890084 /nfs/dbraw/zinc/89/00/84/1051890084.db2.gz IYVLPCATDVGJKW-UHFFFAOYSA-N 1 2 330.790 4.065 20 10 EICDLO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2O)CN(Cc2ccccc2)C1 ZINC001184265913 1051981525 /nfs/dbraw/zinc/98/15/25/1051981525.db2.gz WPRQPNVDVASMLG-QAPCUYQASA-N 1 2 344.886 4.046 20 10 EICDLO Oc1cc2c(cc1C[N@@H+]1CCSC[C@H]1c1nccs1)CCCC2 ZINC000184875475 1052274142 /nfs/dbraw/zinc/27/41/42/1052274142.db2.gz IEKZGOXEEXWQNK-INIZCTEOSA-N 1 2 346.521 4.018 20 10 EICDLO Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1c1nccs1)CCCC2 ZINC000184875475 1052274150 /nfs/dbraw/zinc/27/41/50/1052274150.db2.gz IEKZGOXEEXWQNK-INIZCTEOSA-N 1 2 346.521 4.018 20 10 EICDLO C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000185469379 1052610930 /nfs/dbraw/zinc/61/09/30/1052610930.db2.gz VQBLCFOMKHZVQV-HOTGVXAUSA-N 1 2 342.458 4.408 20 10 EICDLO C[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1O ZINC000850482030 1053253120 /nfs/dbraw/zinc/25/31/20/1053253120.db2.gz MCNUPRXIPMLULJ-WPRPVWTQSA-N 1 2 348.668 4.026 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1cscn1 ZINC000850512144 1053268063 /nfs/dbraw/zinc/26/80/63/1053268063.db2.gz WRGOFCCZPYOGFE-JGVFFNPUSA-N 1 2 345.237 4.162 20 10 EICDLO CC[C@@H]([NH2+][C@H](COC)c1cccc(OC)c1)c1cccc(Cl)c1O ZINC000850513612 1053272161 /nfs/dbraw/zinc/27/21/61/1053272161.db2.gz HPKQWAUCMZVPGW-QZTJIDSGSA-N 1 2 349.858 4.483 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)c1cccc(Cl)c1O ZINC000850574348 1053329552 /nfs/dbraw/zinc/32/95/52/1053329552.db2.gz XPTNGVYYKFDNRW-BVGQSLNGSA-N 1 2 333.859 4.251 20 10 EICDLO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)c(OC)c1 ZINC000775646958 1053344410 /nfs/dbraw/zinc/34/44/10/1053344410.db2.gz NFODRPKMMVNXLU-KRWDZBQOSA-N 1 2 347.842 4.400 20 10 EICDLO COc1ccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)c(OC)c1 ZINC000775646958 1053344430 /nfs/dbraw/zinc/34/44/30/1053344430.db2.gz NFODRPKMMVNXLU-KRWDZBQOSA-N 1 2 347.842 4.400 20 10 EICDLO Cc1ccc(C(=O)C2CC[NH+](Cc3cccc(Cl)c3O)CC2)cc1 ZINC000775659247 1053419843 /nfs/dbraw/zinc/41/98/43/1053419843.db2.gz ZKBILWPSKWQQQA-UHFFFAOYSA-N 1 2 343.854 4.449 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000775676786 1053551741 /nfs/dbraw/zinc/55/17/41/1053551741.db2.gz ZTJNSEMTAOFWTR-HNNXBMFYSA-N 1 2 331.799 4.111 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000775676786 1053551755 /nfs/dbraw/zinc/55/17/55/1053551755.db2.gz ZTJNSEMTAOFWTR-HNNXBMFYSA-N 1 2 331.799 4.111 20 10 EICDLO OCCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000775695672 1053611026 /nfs/dbraw/zinc/61/10/26/1053611026.db2.gz AOZDYABNGAHLPZ-SFHVURJKSA-N 1 2 349.833 4.057 20 10 EICDLO OCCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@H]1CCc2ccccc21 ZINC000775695672 1053611050 /nfs/dbraw/zinc/61/10/50/1053611050.db2.gz AOZDYABNGAHLPZ-SFHVURJKSA-N 1 2 349.833 4.057 20 10 EICDLO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccc2c(c1)CCCO2 ZINC000853239758 1053655184 /nfs/dbraw/zinc/65/51/84/1053655184.db2.gz DEIDRSUMAJVNMH-RYUDHWBXSA-N 1 2 333.378 4.407 20 10 EICDLO CC(C)[N@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1O ZINC000775724429 1053692345 /nfs/dbraw/zinc/69/23/45/1053692345.db2.gz DBOGEDBPHUZIBF-UHFFFAOYSA-N 1 2 328.840 4.094 20 10 EICDLO CC(C)[N@@H+](CCc1nccs1)Cc1cc(Cl)cc(F)c1O ZINC000775724429 1053692350 /nfs/dbraw/zinc/69/23/50/1053692350.db2.gz DBOGEDBPHUZIBF-UHFFFAOYSA-N 1 2 328.840 4.094 20 10 EICDLO COCC(C)(C)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000872104707 1054388952 /nfs/dbraw/zinc/38/89/52/1054388952.db2.gz NKOFBEWQKGDSBF-SNVBAGLBSA-N 1 2 348.256 4.007 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1nc2ccccc2s1 ZINC000858137552 1054423342 /nfs/dbraw/zinc/42/33/42/1054423342.db2.gz AXEWNCKTCNXCSP-LLVKDONJSA-N 1 2 347.434 4.491 20 10 EICDLO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858146716 1054425331 /nfs/dbraw/zinc/42/53/31/1054425331.db2.gz MQAPPZXPIMFFSV-LLVKDONJSA-N 1 2 338.373 4.029 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000775999714 1054435636 /nfs/dbraw/zinc/43/56/36/1054435636.db2.gz UHVNQBCYSFNBDS-UHFFFAOYSA-N 1 2 333.712 4.493 20 10 EICDLO CCCOc1ccc(C[NH2+][C@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000873065142 1054482070 /nfs/dbraw/zinc/48/20/70/1054482070.db2.gz FHGPCEVIFICJFS-CQSZACIVSA-N 1 2 331.460 4.315 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(F)cc(Br)c1 ZINC000776036385 1054496445 /nfs/dbraw/zinc/49/64/45/1054496445.db2.gz SUPSYKUBNHTYAP-UHFFFAOYSA-N 1 2 344.611 4.237 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1cc(Br)cc(F)c1O ZINC000858578013 1054524567 /nfs/dbraw/zinc/52/45/67/1054524567.db2.gz STAOKKUEMJLSQO-SFYZADRCSA-N 1 2 345.237 4.162 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cc(Br)cs1 ZINC000124713182 1054597667 /nfs/dbraw/zinc/59/76/67/1054597667.db2.gz VGBNAMPVQYXPRL-UHFFFAOYSA-N 1 2 332.650 4.159 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2cc(Cl)nc(N3CCOCC3)c2)cc1 ZINC001201492216 1054818565 /nfs/dbraw/zinc/81/85/65/1054818565.db2.gz XHNOGPJNCUDALY-UHFFFAOYSA-N 1 2 346.862 4.136 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001201498166 1054820743 /nfs/dbraw/zinc/82/07/43/1054820743.db2.gz UPZPYASBEMLBMN-UHFFFAOYSA-N 1 2 329.419 4.226 20 10 EICDLO CN(C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccns2)cc1 ZINC000877521920 1055070045 /nfs/dbraw/zinc/07/00/45/1055070045.db2.gz FYRVYJARCJOJMY-UHFFFAOYSA-N 1 2 327.453 4.005 20 10 EICDLO CN(C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccns2)cc1 ZINC000877521920 1055070060 /nfs/dbraw/zinc/07/00/60/1055070060.db2.gz FYRVYJARCJOJMY-UHFFFAOYSA-N 1 2 327.453 4.005 20 10 EICDLO CC(C)(C)OC(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2O)c1 ZINC000776258482 1055079205 /nfs/dbraw/zinc/07/92/05/1055079205.db2.gz YGXHSZUQRMBLSX-UHFFFAOYSA-N 1 2 347.842 4.291 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000776256981 1055093430 /nfs/dbraw/zinc/09/34/30/1055093430.db2.gz UWXZALIEKZJYCC-SUMWQHHRSA-N 1 2 335.806 4.052 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccc(OC)c(OC)c1)c1cccc(Cl)c1O ZINC000806125729 1020196129 /nfs/dbraw/zinc/19/61/29/1020196129.db2.gz FBBPEAXXTZHUOE-MRXNPFEDSA-N 1 2 349.858 4.346 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1CC(=O)Nc2ccccc21)c1cccc(Cl)c1O ZINC000376862217 1023326974 /nfs/dbraw/zinc/32/69/74/1023326974.db2.gz XCUGXSWXRRRLEO-WBMJQRKESA-N 1 2 344.842 4.212 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000377799465 1023763727 /nfs/dbraw/zinc/76/37/27/1023763727.db2.gz VCPRFKRESMCZTH-ZWNOBZJWSA-N 1 2 340.254 4.020 20 10 EICDLO COc1ccccc1[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000151116049 1025264374 /nfs/dbraw/zinc/26/43/74/1025264374.db2.gz HLYOFHYKCSIAFM-NRFANRHFSA-N 1 2 335.403 4.102 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000896226179 1027347827 /nfs/dbraw/zinc/34/78/27/1027347827.db2.gz CWBKXRSEJIOKBI-GFCCVEGCSA-N 1 2 341.707 4.051 20 10 EICDLO C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(Br)cc(Cl)c1O ZINC000760041251 1042927937 /nfs/dbraw/zinc/92/79/37/1042927937.db2.gz XIKNKDMXJLRKJZ-LURJTMIESA-N 1 2 340.595 4.256 20 10 EICDLO CC1CCN(c2ccc(C[NH2+]Cc3n[nH]c4ccccc43)cc2)CC1 ZINC000731041473 1043681465 /nfs/dbraw/zinc/68/14/65/1043681465.db2.gz ASSVETSXPMHQFP-UHFFFAOYSA-N 1 2 334.467 4.089 20 10 EICDLO C[N@H+](Cc1occc1Br)Cc1ccc(N2CCCC2)cc1 ZINC001143126256 1043711366 /nfs/dbraw/zinc/71/13/66/1043711366.db2.gz IBJWWLXQPZWRGZ-UHFFFAOYSA-N 1 2 349.272 4.274 20 10 EICDLO C[N@@H+](Cc1occc1Br)Cc1ccc(N2CCCC2)cc1 ZINC001143126256 1043711396 /nfs/dbraw/zinc/71/13/96/1043711396.db2.gz IBJWWLXQPZWRGZ-UHFFFAOYSA-N 1 2 349.272 4.274 20 10 EICDLO Oc1cccc(F)c1C[N@@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001137838484 1044688850 /nfs/dbraw/zinc/68/88/50/1044688850.db2.gz BNIYSGXYHYTDOD-INIZCTEOSA-N 1 2 337.847 4.475 20 10 EICDLO Oc1cccc(F)c1C[N@H+]1CCSC[C@H]1c1cccc(Cl)c1 ZINC001137838484 1044688860 /nfs/dbraw/zinc/68/88/60/1044688860.db2.gz BNIYSGXYHYTDOD-INIZCTEOSA-N 1 2 337.847 4.475 20 10 EICDLO C[C@@]1([NH2+]Cc2cccc(Br)c2O)CCCc2ccccc21 ZINC000734843244 1044698313 /nfs/dbraw/zinc/69/83/13/1044698313.db2.gz IARRMHCPCRJUDS-GOSISDBHSA-N 1 2 346.268 4.496 20 10 EICDLO C[C@@H]1c2ccccc2OCC[N@@H+]1Cc1cccc(Br)c1O ZINC000768931954 1045861738 /nfs/dbraw/zinc/86/17/38/1045861738.db2.gz XIJUOQKHEAIXDA-GFCCVEGCSA-N 1 2 348.240 4.110 20 10 EICDLO C[C@@H]1c2ccccc2OCC[N@H+]1Cc1cccc(Br)c1O ZINC000768931954 1045861733 /nfs/dbraw/zinc/86/17/33/1045861733.db2.gz XIJUOQKHEAIXDA-GFCCVEGCSA-N 1 2 348.240 4.110 20 10 EICDLO COc1cccc(Cl)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000792183041 1045874829 /nfs/dbraw/zinc/87/48/29/1045874829.db2.gz MLWXMXJKYPOOJF-UHFFFAOYSA-N 1 2 330.186 4.137 20 10 EICDLO CC(C)(C)[N@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769188072 1045892592 /nfs/dbraw/zinc/89/25/92/1045892592.db2.gz NIUYGKYBWAUQQH-UHFFFAOYSA-N 1 2 331.287 4.005 20 10 EICDLO CC(C)(C)[N@@H+]1CCCN(Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000769188072 1045892588 /nfs/dbraw/zinc/89/25/88/1045892588.db2.gz NIUYGKYBWAUQQH-UHFFFAOYSA-N 1 2 331.287 4.005 20 10 EICDLO C[C@@H]1C[N@@H+](Cc2cccc(Br)c2O)[C@H]1c1ccccc1 ZINC000769538304 1046013509 /nfs/dbraw/zinc/01/35/09/1046013509.db2.gz COKRTZPKGKUZDQ-MLGOLLRUSA-N 1 2 332.241 4.348 20 10 EICDLO C[C@@H]1C[N@H+](Cc2cccc(Br)c2O)[C@H]1c1ccccc1 ZINC000769538304 1046013492 /nfs/dbraw/zinc/01/34/92/1046013492.db2.gz COKRTZPKGKUZDQ-MLGOLLRUSA-N 1 2 332.241 4.348 20 10 EICDLO CC[C@H]([NH2+][C@H](C)Cn1cc[nH+]c1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131453 1047125407 /nfs/dbraw/zinc/12/54/07/1047125407.db2.gz JMVBWEBYWZXZTK-YGRLFVJLSA-N 1 2 328.243 4.025 20 10 EICDLO CC[C@H]([NH2+]Cc1cccc(OCCOC)c1)c1cccc(Cl)c1O ZINC000806132768 1047125704 /nfs/dbraw/zinc/12/57/04/1047125704.db2.gz ZOAHEYXCRLLCEI-SFHVURJKSA-N 1 2 349.858 4.312 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc(OCC2CC2)nc1)c1cccc(Cl)c1O ZINC000806136180 1047132964 /nfs/dbraw/zinc/13/29/64/1047132964.db2.gz UHCFRQGWJOAEBF-QGZVFWFLSA-N 1 2 346.858 4.470 20 10 EICDLO CC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(Cl)c1O ZINC000806137479 1047135692 /nfs/dbraw/zinc/13/56/92/1047135692.db2.gz OQEGFHATNLKMBH-LBPRGKRZSA-N 1 2 347.768 4.045 20 10 EICDLO CC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(Cl)c1O ZINC000806137249 1047136522 /nfs/dbraw/zinc/13/65/22/1047136522.db2.gz ICSRTSVFMGFRGC-CQSZACIVSA-N 1 2 342.867 4.001 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1O ZINC000806129972 1047153085 /nfs/dbraw/zinc/15/30/85/1047153085.db2.gz NHCBRHIAQRXPRJ-CVEARBPZSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@H]([NH2+]C[C@H](c1cccs1)N(C)C)c1cccc(Cl)c1O ZINC000806128212 1047153398 /nfs/dbraw/zinc/15/33/98/1047153398.db2.gz HVQWHQGTRGLLTG-LSDHHAIUSA-N 1 2 338.904 4.451 20 10 EICDLO CC[C@H]([NH2+][C@H](Cn1ccnc1)C(C)(C)C)c1cccc(Cl)c1O ZINC000806130560 1047155440 /nfs/dbraw/zinc/15/54/40/1047155440.db2.gz ARAAEDJFPCFKPB-JKSUJKDBSA-N 1 2 335.879 4.398 20 10 EICDLO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1O ZINC000806140712 1047164686 /nfs/dbraw/zinc/16/46/86/1047164686.db2.gz BGGGPAYFYMQVNE-OAHLLOKOSA-N 1 2 334.803 4.237 20 10 EICDLO CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)c1cccc(Cl)c1O ZINC000806144024 1047168816 /nfs/dbraw/zinc/16/88/16/1047168816.db2.gz RCLHTMQMVPTFBT-SFHVURJKSA-N 1 2 349.858 4.312 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1OCCc2ccccc21)c1cccc(Cl)c1O ZINC000806146266 1047171377 /nfs/dbraw/zinc/17/13/77/1047171377.db2.gz MOSWRKMLCAXZKR-MSOLQXFVSA-N 1 2 331.843 4.400 20 10 EICDLO CC[C@H]([NH2+][C@@H]1COc2cc(OC)ccc2C1)c1cccc(Cl)c1O ZINC000806150126 1047173132 /nfs/dbraw/zinc/17/31/32/1047173132.db2.gz LVZXCNFTTPIMMT-GUYCJALGSA-N 1 2 347.842 4.099 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12)c1cccc(Cl)c1O ZINC000806150075 1047173271 /nfs/dbraw/zinc/17/32/71/1047173271.db2.gz KTHRVBKQTFGVKB-FQLMCAECSA-N 1 2 343.945 4.466 20 10 EICDLO CC[C@@H]([NH2+]CCOc1ncccc1Cl)c1cccc(Cl)c1O ZINC000806147162 1047173655 /nfs/dbraw/zinc/17/36/55/1047173655.db2.gz GKWLJEIXDFDMBT-CQSZACIVSA-N 1 2 341.238 4.214 20 10 EICDLO CC[C@H]([NH2+]Cc1nn(C)c2ccccc12)c1cccc(Cl)c1O ZINC000806157923 1047180352 /nfs/dbraw/zinc/18/03/52/1047180352.db2.gz BZXRMNQXCYQBSQ-HNNXBMFYSA-N 1 2 329.831 4.173 20 10 EICDLO CC(C)c1nnc([C@@H](C)[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788690092 1047263702 /nfs/dbraw/zinc/26/37/02/1047263702.db2.gz WBYXPNIEPKKLII-VHSXEESVSA-N 1 2 342.365 4.064 20 10 EICDLO CC(C)c1nnc([C@H](C)[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)[nH]1 ZINC000788690095 1047263772 /nfs/dbraw/zinc/26/37/72/1047263772.db2.gz WBYXPNIEPKKLII-ZJUUUORDSA-N 1 2 342.365 4.064 20 10 EICDLO Cc1cc(Cl)cc([C@H](C)[NH2+]CCc2ccc3cn[nH]c3c2)c1O ZINC000808718180 1048066406 /nfs/dbraw/zinc/06/64/06/1048066406.db2.gz QCVYTKATPUTABC-LBPRGKRZSA-N 1 2 329.831 4.124 20 10 EICDLO C[C@@H](C[N@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO)c1ccccc1 ZINC000809774867 1048504871 /nfs/dbraw/zinc/50/48/71/1048504871.db2.gz SNEVDSPISWZILO-GJZGRUSLSA-N 1 2 333.859 4.032 20 10 EICDLO C[C@@H](C[N@@H+](Cc1cccc(Cl)c1O)[C@@H](C)CO)c1ccccc1 ZINC000809774867 1048504887 /nfs/dbraw/zinc/50/48/87/1048504887.db2.gz SNEVDSPISWZILO-GJZGRUSLSA-N 1 2 333.859 4.032 20 10 EICDLO CC(C)(C)OC1CC(CC[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816592387 1048831912 /nfs/dbraw/zinc/83/19/12/1048831912.db2.gz INFPJOOQDYOHQP-UHFFFAOYSA-N 1 2 329.843 4.258 20 10 EICDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816565973 1048837579 /nfs/dbraw/zinc/83/75/79/1048837579.db2.gz HVMKAUVKHWIJJD-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816565973 1048837584 /nfs/dbraw/zinc/83/75/84/1048837584.db2.gz HVMKAUVKHWIJJD-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573760 1048838855 /nfs/dbraw/zinc/83/88/55/1048838855.db2.gz JWMLIZPMYCLYOI-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1cc(Cl)c(F)cc1O ZINC000816573760 1048838861 /nfs/dbraw/zinc/83/88/61/1048838861.db2.gz JWMLIZPMYCLYOI-SCZZXKLOSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(-n2cccn2)c(F)c1 ZINC000816641757 1048847196 /nfs/dbraw/zinc/84/71/96/1048847196.db2.gz FKJVHUSQLYTQHZ-GFCCVEGCSA-N 1 2 345.805 4.221 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH2+]CCCc1cccs1 ZINC001178188030 1050399645 /nfs/dbraw/zinc/39/96/45/1050399645.db2.gz HJPDIGLIVNRLRV-UHFFFAOYSA-N 1 2 344.249 4.078 20 10 EICDLO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2O)CS1 ZINC000775152679 1050643837 /nfs/dbraw/zinc/64/38/37/1050643837.db2.gz OSFTVZRQOFSSBK-YPMHNXCESA-N 1 2 344.318 4.165 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH+]1CC(c2ccc(Cl)cc2)C1 ZINC001181826194 1051322808 /nfs/dbraw/zinc/32/28/08/1051322808.db2.gz BQHKRLVJJXXMOT-UHFFFAOYSA-N 1 2 326.198 4.438 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483401 1051555372 /nfs/dbraw/zinc/55/53/72/1051555372.db2.gz TVZSQNNXQDHDLA-RISCZKNCSA-N 1 2 331.287 4.224 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775483401 1051555384 /nfs/dbraw/zinc/55/53/84/1051555384.db2.gz TVZSQNNXQDHDLA-RISCZKNCSA-N 1 2 331.287 4.224 20 10 EICDLO COc1cc(C[N@H+](C)Cc2ccc(Cl)cc2Cl)cc(O)c1O ZINC001204343416 1051616926 /nfs/dbraw/zinc/61/69/26/1051616926.db2.gz POHIQTIBORWWEK-UHFFFAOYSA-N 1 2 342.222 4.045 20 10 EICDLO COc1cc(C[N@@H+](C)Cc2ccc(Cl)cc2Cl)cc(O)c1O ZINC001204343416 1051616949 /nfs/dbraw/zinc/61/69/49/1051616949.db2.gz POHIQTIBORWWEK-UHFFFAOYSA-N 1 2 342.222 4.045 20 10 EICDLO Oc1ccccc1CNc1cc[nH+]c2c(Br)cccc12 ZINC000774524475 1051656959 /nfs/dbraw/zinc/65/69/59/1051656959.db2.gz UVLSXMWXNQSUCR-UHFFFAOYSA-N 1 2 329.197 4.315 20 10 EICDLO C[C@]1(c2cccc(F)c2)CC[N@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001182755031 1051685975 /nfs/dbraw/zinc/68/59/75/1051685975.db2.gz PKMPNNALXAXDRE-SFHVURJKSA-N 1 2 337.797 4.487 20 10 EICDLO C[C@]1(c2cccc(F)c2)CC[N@@H+](Cc2cc(Cl)cc(F)c2O)C1 ZINC001182755031 1051685980 /nfs/dbraw/zinc/68/59/80/1051685980.db2.gz PKMPNNALXAXDRE-SFHVURJKSA-N 1 2 337.797 4.487 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C1CCC2(CC2(F)F)CC1 ZINC000850391374 1053164060 /nfs/dbraw/zinc/16/40/60/1053164060.db2.gz OADLWYWNLZWOHY-UHFFFAOYSA-N 1 2 346.215 4.212 20 10 EICDLO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(Br)cc(Cl)c1O ZINC000850482029 1053252805 /nfs/dbraw/zinc/25/28/05/1053252805.db2.gz MCNUPRXIPMLULJ-WCBMZHEXSA-N 1 2 348.668 4.026 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1)c1cccc(Cl)c1O ZINC000850541176 1053305254 /nfs/dbraw/zinc/30/52/54/1053305254.db2.gz SPLUGDUQECLCSW-JLSDUUJJSA-N 1 2 347.890 4.231 20 10 EICDLO C[C@H]([NH2+]CCCc1ccco1)c1cc(Br)cc(F)c1O ZINC000850569441 1053323203 /nfs/dbraw/zinc/32/32/03/1053323203.db2.gz DWNRSGQCSZQBNK-JTQLQIEISA-N 1 2 342.208 4.170 20 10 EICDLO C[N@@H+](Cc1ccc(Br)o1)Cc1cc(Cl)cc(F)c1O ZINC000775648190 1053341480 /nfs/dbraw/zinc/34/14/80/1053341480.db2.gz AGBQTPPBVVFODI-UHFFFAOYSA-N 1 2 348.599 4.172 20 10 EICDLO C[N@H+](Cc1ccc(Br)o1)Cc1cc(Cl)cc(F)c1O ZINC000775648190 1053341462 /nfs/dbraw/zinc/34/14/62/1053341462.db2.gz AGBQTPPBVVFODI-UHFFFAOYSA-N 1 2 348.599 4.172 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000775647970 1053342666 /nfs/dbraw/zinc/34/26/66/1053342666.db2.gz KGPXJHDRBTZMHL-UHFFFAOYSA-N 1 2 339.826 4.211 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000775647970 1053342682 /nfs/dbraw/zinc/34/26/82/1053342682.db2.gz KGPXJHDRBTZMHL-UHFFFAOYSA-N 1 2 339.826 4.211 20 10 EICDLO CN(c1ccccc1)C1CC[NH+](Cc2cccc(Cl)c2O)CC1 ZINC000775665740 1053439520 /nfs/dbraw/zinc/43/95/20/1053439520.db2.gz XDOZAWPVHOGDFF-UHFFFAOYSA-N 1 2 330.859 4.146 20 10 EICDLO Oc1c(Cl)cccc1C[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000775665883 1053441610 /nfs/dbraw/zinc/44/16/10/1053441610.db2.gz MMUIKOKDCRHZHD-KRWDZBQOSA-N 1 2 349.833 4.366 20 10 EICDLO Oc1c(Cl)cccc1C[N@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000775665883 1053441615 /nfs/dbraw/zinc/44/16/15/1053441615.db2.gz MMUIKOKDCRHZHD-KRWDZBQOSA-N 1 2 349.833 4.366 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775669853 1053476685 /nfs/dbraw/zinc/47/66/85/1053476685.db2.gz RDQMDNHSOCLVOF-PKOBYXMFSA-N 1 2 349.833 4.273 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[N@@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000775669853 1053476688 /nfs/dbraw/zinc/47/66/88/1053476688.db2.gz RDQMDNHSOCLVOF-PKOBYXMFSA-N 1 2 349.833 4.273 20 10 EICDLO CCCC[N@H+](Cc1nnc(C(F)(F)F)s1)Cc1ccccc1O ZINC000852018283 1053541996 /nfs/dbraw/zinc/54/19/96/1053541996.db2.gz KWNDWAWBVAOQQJ-UHFFFAOYSA-N 1 2 345.390 4.065 20 10 EICDLO CCCC[N@@H+](Cc1nnc(C(F)(F)F)s1)Cc1ccccc1O ZINC000852018283 1053542000 /nfs/dbraw/zinc/54/20/00/1053542000.db2.gz KWNDWAWBVAOQQJ-UHFFFAOYSA-N 1 2 345.390 4.065 20 10 EICDLO Cc1ccccc1[C@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@H](C)CO1 ZINC000775715471 1053663584 /nfs/dbraw/zinc/66/35/84/1053663584.db2.gz XQCULVTZNDQDNC-RDTXWAMCSA-N 1 2 331.843 4.316 20 10 EICDLO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@H](C)CO1 ZINC000775715471 1053663597 /nfs/dbraw/zinc/66/35/97/1053663597.db2.gz XQCULVTZNDQDNC-RDTXWAMCSA-N 1 2 331.843 4.316 20 10 EICDLO CC[N@@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)c1ccc(C)cc1 ZINC000775717276 1053672224 /nfs/dbraw/zinc/67/22/24/1053672224.db2.gz OBJXODIKKGIIBI-QGZVFWFLSA-N 1 2 337.822 4.049 20 10 EICDLO CC[N@H+](Cc1cc(Cl)cc(F)c1O)C[C@@H](O)c1ccc(C)cc1 ZINC000775717276 1053672227 /nfs/dbraw/zinc/67/22/27/1053672227.db2.gz OBJXODIKKGIIBI-QGZVFWFLSA-N 1 2 337.822 4.049 20 10 EICDLO CCCOc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1OC ZINC000775966435 1054412027 /nfs/dbraw/zinc/41/20/27/1054412027.db2.gz YOMJEJNWNVMRSG-UHFFFAOYSA-N 1 2 335.831 4.133 20 10 EICDLO CC[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc(Cl)c1O ZINC000858453844 1054492584 /nfs/dbraw/zinc/49/25/84/1054492584.db2.gz ZUBIYLRWZXCNPG-LBPRGKRZSA-N 1 2 347.768 4.039 20 10 EICDLO Nc1ccc(Nc2ccc(Cl)cc2C(=O)c2ccccc2F)c[nH+]1 ZINC001201283779 1054733652 /nfs/dbraw/zinc/73/36/52/1054733652.db2.gz GAYGNQMXQKASMV-UHFFFAOYSA-N 1 2 341.773 4.431 20 10 EICDLO Cc1cnc(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)o1 ZINC000877498533 1055065776 /nfs/dbraw/zinc/06/57/76/1055065776.db2.gz QUWOIFROQKBWNK-ZDUSSCGKSA-N 1 2 333.863 4.163 20 10 EICDLO C[C@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(C(F)(F)F)nc1 ZINC000877827926 1055129299 /nfs/dbraw/zinc/12/92/99/1055129299.db2.gz AHSQOUPCRHRHHT-VIFPVBQESA-N 1 2 330.737 4.310 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cc(Br)cc(F)c1O ZINC000756379426 1022550572 /nfs/dbraw/zinc/55/05/72/1022550572.db2.gz NIUXKYHARHDTPX-VHSXEESVSA-N 1 2 342.208 4.169 20 10 EICDLO c1cc(N2CCCCC2)ccc1CNc1ccc(N2CCCC2)[nH+]c1 ZINC000236677916 1022874923 /nfs/dbraw/zinc/87/49/23/1022874923.db2.gz VPEAZFLJOKTWFT-UHFFFAOYSA-N 1 2 336.483 4.284 20 10 EICDLO Oc1c(F)cc(F)cc1C[NH2+]C12CCC(C(F)(F)F)(CC1)CC2 ZINC000894579829 1026235221 /nfs/dbraw/zinc/23/52/21/1026235221.db2.gz PGBVLJYURGROTI-UHFFFAOYSA-N 1 2 335.316 4.415 20 10 EICDLO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132536 1027404680 /nfs/dbraw/zinc/40/46/80/1027404680.db2.gz DLRUIADXCSNOPN-NXEZZACHSA-N 1 2 332.669 4.429 20 10 EICDLO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)cc(Br)c2O)C1 ZINC000708132536 1027404672 /nfs/dbraw/zinc/40/46/72/1027404672.db2.gz DLRUIADXCSNOPN-NXEZZACHSA-N 1 2 332.669 4.429 20 10 EICDLO Oc1c(Br)cc(Cl)cc1C[N@@H+]1CC2CCC1CC2 ZINC000708133912 1027409202 /nfs/dbraw/zinc/40/92/02/1027409202.db2.gz ODVVZXKRVYHINB-UHFFFAOYSA-N 1 2 330.653 4.183 20 10 EICDLO Oc1c(Br)cc(Cl)cc1C[N@H+]1CC2CCC1CC2 ZINC000708133912 1027409209 /nfs/dbraw/zinc/40/92/09/1027409209.db2.gz ODVVZXKRVYHINB-UHFFFAOYSA-N 1 2 330.653 4.183 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](c1ccccc1)c1cccnc1 ZINC000190947597 1030588845 /nfs/dbraw/zinc/58/88/45/1030588845.db2.gz HJXWCSFDUSZLRG-IBGZPJMESA-N 1 2 342.801 4.459 20 10 EICDLO COc1cc(Cl)cc(C[N@@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000761202783 1036028926 /nfs/dbraw/zinc/02/89/26/1036028926.db2.gz LTGKIXOMRXIXIW-DYVFJYSZSA-N 1 2 347.842 4.016 20 10 EICDLO COc1cc(Cl)cc(C[N@H+]2C[C@@H](C)OC[C@H]2c2ccccc2)c1O ZINC000761202783 1036028945 /nfs/dbraw/zinc/02/89/45/1036028945.db2.gz LTGKIXOMRXIXIW-DYVFJYSZSA-N 1 2 347.842 4.016 20 10 EICDLO CCO[C@H](C)c1nc(C[N@H+](C)Cc2cc(C)c(C)cc2O)cs1 ZINC000173370867 1038294550 /nfs/dbraw/zinc/29/45/50/1038294550.db2.gz OZGHSWBVCOLJIE-CQSZACIVSA-N 1 2 334.485 4.195 20 10 EICDLO CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cc(C)c(C)cc2O)cs1 ZINC000173370867 1038294569 /nfs/dbraw/zinc/29/45/69/1038294569.db2.gz OZGHSWBVCOLJIE-CQSZACIVSA-N 1 2 334.485 4.195 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000715726633 1043167587 /nfs/dbraw/zinc/16/75/87/1043167587.db2.gz VBJHASGDEDIDPI-IINYFYTJSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000715726633 1043167596 /nfs/dbraw/zinc/16/75/96/1043167596.db2.gz VBJHASGDEDIDPI-IINYFYTJSA-N 1 2 328.225 4.058 20 10 EICDLO COc1cccc(Cl)c1C[NH2+][C@H](C)c1cc(F)cc(F)c1O ZINC000790699339 1045559697 /nfs/dbraw/zinc/55/96/97/1045559697.db2.gz RMSBQTLGUQAPCA-SECBINFHSA-N 1 2 327.758 4.183 20 10 EICDLO COc1cccc(O)c1CNc1cccc(-c2[nH+]cc3n2CCCC3)c1 ZINC000767726467 1045619774 /nfs/dbraw/zinc/61/97/74/1045619774.db2.gz BWIRWDRSBULQSO-UHFFFAOYSA-N 1 2 349.434 4.213 20 10 EICDLO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1cc(Br)cc(F)c1O ZINC000768273446 1045774922 /nfs/dbraw/zinc/77/49/22/1045774922.db2.gz ZQWJLRPDOJAPCE-NKWVEPMBSA-N 1 2 344.146 4.285 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+]2CCC[C@H]2c2cc(C)on2)cc1F ZINC000768431192 1045807698 /nfs/dbraw/zinc/80/76/98/1045807698.db2.gz XJXOMRZQVOOJLZ-IBGZPJMESA-N 1 2 331.435 4.305 20 10 EICDLO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]2c2cc(C)on2)cc1F ZINC000768431192 1045807700 /nfs/dbraw/zinc/80/77/00/1045807700.db2.gz XJXOMRZQVOOJLZ-IBGZPJMESA-N 1 2 331.435 4.305 20 10 EICDLO COc1cccc(C[N@@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1O ZINC000768873587 1045849204 /nfs/dbraw/zinc/84/92/04/1045849204.db2.gz WMUZPZSPQDWFFP-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO COc1cccc(C[N@H+]2CCc3[nH]c4ccc(Cl)cc4c3C2)c1O ZINC000768873587 1045849210 /nfs/dbraw/zinc/84/92/10/1045849210.db2.gz WMUZPZSPQDWFFP-UHFFFAOYSA-N 1 2 342.826 4.094 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174953 1045871603 /nfs/dbraw/zinc/87/16/03/1045871603.db2.gz OGRLQEAOXNVZHP-WPRPVWTQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1[C@@H](C(F)(F)F)CCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174953 1045871606 /nfs/dbraw/zinc/87/16/06/1045871606.db2.gz OGRLQEAOXNVZHP-WPRPVWTQSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)c1ccc(Br)cn1 ZINC000793333552 1046211075 /nfs/dbraw/zinc/21/10/75/1046211075.db2.gz MBSOYMDZTFFZKE-SECBINFHSA-N 1 2 341.636 4.054 20 10 EICDLO CCCc1nc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000917074045 1046634482 /nfs/dbraw/zinc/63/44/82/1046634482.db2.gz NXGZVBANCVFRCD-UHFFFAOYSA-N 1 2 329.513 4.326 20 10 EICDLO CCCc1nc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000917074045 1046634498 /nfs/dbraw/zinc/63/44/98/1046634498.db2.gz NXGZVBANCVFRCD-UHFFFAOYSA-N 1 2 329.513 4.326 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccs2)c1O ZINC000805840919 1047032226 /nfs/dbraw/zinc/03/22/26/1047032226.db2.gz XWYJTHYWUTUFBO-KRWDZBQOSA-N 1 2 333.428 4.379 20 10 EICDLO CC(=O)c1cc(F)cc(C[N@H+]2CC(C)(C)[C@@H]2c2cccs2)c1O ZINC000805840919 1047032244 /nfs/dbraw/zinc/03/22/44/1047032244.db2.gz XWYJTHYWUTUFBO-KRWDZBQOSA-N 1 2 333.428 4.379 20 10 EICDLO CC[C@@H]([NH2+]CCN1Cc2ccccc2C1)c1cccc(Cl)c1O ZINC000806133737 1047129672 /nfs/dbraw/zinc/12/96/72/1047129672.db2.gz CVUXYEAUNGNUAM-GOSISDBHSA-N 1 2 330.859 4.102 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCc1ccccc1OC(F)F ZINC000788265762 1047149657 /nfs/dbraw/zinc/14/96/57/1047149657.db2.gz HOBQYBFNRYRUOM-UHFFFAOYSA-N 1 2 345.748 4.118 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCCc2nc(C)ncc21)c1cccc(Cl)c1O ZINC000806141043 1047165952 /nfs/dbraw/zinc/16/59/52/1047165952.db2.gz PFSGRZYTHLZPMD-RDJZCZTQSA-N 1 2 331.847 4.262 20 10 EICDLO CC[C@H]([NH2+]CCc1ccc(Cl)nc1)c1cccc(Cl)c1O ZINC000806142015 1047165978 /nfs/dbraw/zinc/16/59/78/1047165978.db2.gz BRANFZHCMGZRGJ-AWEZNQCLSA-N 1 2 325.239 4.377 20 10 EICDLO CC[C@@H]([NH2+]Cc1cccc2c1OCCO2)c1cccc(Cl)c1O ZINC000806145947 1047171138 /nfs/dbraw/zinc/17/11/38/1047171138.db2.gz IMGRCOJMQFJFSX-OAHLLOKOSA-N 1 2 333.815 4.058 20 10 EICDLO CC[C@H]([NH2+][C@H](CO)c1sccc1C)c1cccc(Cl)c1O ZINC000806148690 1047172581 /nfs/dbraw/zinc/17/25/81/1047172581.db2.gz WWDLFCAKOUWMCK-UONOGXRCSA-N 1 2 325.861 4.190 20 10 EICDLO CC[C@H]([NH2+]C[C@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1O ZINC000806149139 1047172911 /nfs/dbraw/zinc/17/29/11/1047172911.db2.gz BCUGFSPSMAUAOG-BBRMVZONSA-N 1 2 339.863 4.162 20 10 EICDLO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(Cl)c1O ZINC000806154204 1047179581 /nfs/dbraw/zinc/17/95/81/1047179581.db2.gz DOLQAWASJGKJQX-PLYYQAHHSA-N 1 2 335.875 4.434 20 10 EICDLO CC[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806157072 1047180742 /nfs/dbraw/zinc/18/07/42/1047180742.db2.gz BCCKSQYTFVXIKD-YJBOKZPZSA-N 1 2 333.859 4.080 20 10 EICDLO CC[C@H]([NH2+]C[C@H](c1ccnn1C)C(C)C)c1cccc(Cl)c1O ZINC000806161686 1047184884 /nfs/dbraw/zinc/18/48/84/1047184884.db2.gz MANNKTXBHKYQKU-HOCLYGCPSA-N 1 2 335.879 4.260 20 10 EICDLO CC(C)SCC[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000806167769 1047191420 /nfs/dbraw/zinc/19/14/20/1047191420.db2.gz JIOFDLJOULIHEM-SECBINFHSA-N 1 2 336.270 4.086 20 10 EICDLO C[C@H]([NH2+]C[C@@H]1CCCN(c2ccccc2)C1)c1cc(F)cc(F)c1O ZINC000788618791 1047250867 /nfs/dbraw/zinc/25/08/67/1047250867.db2.gz BKLLHAIRQBXXQP-GJZGRUSLSA-N 1 2 346.421 4.238 20 10 EICDLO CC(C)[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@H](O)c1ccccc1 ZINC000789780429 1047475668 /nfs/dbraw/zinc/47/56/68/1047475668.db2.gz VXJGBZJPUGDEFG-FUHWJXTLSA-N 1 2 337.822 4.033 20 10 EICDLO COc1ccc(F)c(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c1F ZINC001143978680 1048341432 /nfs/dbraw/zinc/34/14/32/1048341432.db2.gz SGIPOLUUGXHWEZ-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO COc1ccc(F)c(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c1F ZINC001143978680 1048341451 /nfs/dbraw/zinc/34/14/51/1048341451.db2.gz SGIPOLUUGXHWEZ-UHFFFAOYSA-N 1 2 346.421 4.206 20 10 EICDLO C[C@H](CCOCc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809782267 1048529815 /nfs/dbraw/zinc/52/98/15/1048529815.db2.gz MVNTYTHGKUGXSI-CYBMUJFWSA-N 1 2 337.822 4.270 20 10 EICDLO Cn1c[nH+]cc1CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000809869489 1048543275 /nfs/dbraw/zinc/54/32/75/1048543275.db2.gz USCMALQFIRCPNR-UHFFFAOYSA-N 1 2 334.383 4.157 20 10 EICDLO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000816529199 1048831378 /nfs/dbraw/zinc/83/13/78/1048831378.db2.gz KHXDESOPKYKRIQ-IBGZPJMESA-N 1 2 342.801 4.459 20 10 EICDLO C[C@]12CC[N@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]1C2(Cl)Cl ZINC000816603704 1048842598 /nfs/dbraw/zinc/84/25/98/1048842598.db2.gz NXRGWZNSPNBPIB-OLZOCXBDSA-N 1 2 338.637 4.200 20 10 EICDLO C[C@]12CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C[C@H]1C2(Cl)Cl ZINC000816603704 1048842608 /nfs/dbraw/zinc/84/26/08/1048842608.db2.gz NXRGWZNSPNBPIB-OLZOCXBDSA-N 1 2 338.637 4.200 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000811513865 1049130496 /nfs/dbraw/zinc/13/04/96/1049130496.db2.gz TZENUODRTJYDHL-WBVHZDCISA-N 1 2 335.806 4.195 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1O ZINC000805750838 1049525296 /nfs/dbraw/zinc/52/52/96/1049525296.db2.gz VSXHWDDAQOWNSC-XIKOKIGWSA-N 1 2 344.842 4.226 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2C[C@H](C)C[C@H]2c2cccnc2)c1O ZINC000805750838 1049525309 /nfs/dbraw/zinc/52/53/09/1049525309.db2.gz VSXHWDDAQOWNSC-XIKOKIGWSA-N 1 2 344.842 4.226 20 10 EICDLO CC[C@@H]1CCCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc(F)c2O)C1 ZINC001177834149 1050310842 /nfs/dbraw/zinc/31/08/42/1050310842.db2.gz DXWKIQLAXMVTHP-CYBMUJFWSA-N 1 2 342.886 4.175 20 10 EICDLO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(F)c1O ZINC001178748323 1050541686 /nfs/dbraw/zinc/54/16/86/1050541686.db2.gz UDJGWNDKXMQSCK-MNOVXSKESA-N 1 2 330.241 4.210 20 10 EICDLO CC[N@H+](Cc1cccc(F)c1O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895730 /nfs/dbraw/zinc/89/57/30/1050895730.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 1 2 342.458 4.189 20 10 EICDLO CC[N@@H+](Cc1cccc(F)c1O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895736 /nfs/dbraw/zinc/89/57/36/1050895736.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895744 /nfs/dbraw/zinc/89/57/44/1050895744.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 1 2 342.458 4.189 20 10 EICDLO CCN(Cc1cccc(F)c1O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001180174966 1050895753 /nfs/dbraw/zinc/89/57/53/1050895753.db2.gz QBDSOCXJIHZVHR-LPHOPBHVSA-N 1 2 342.458 4.189 20 10 EICDLO Cc1ccc(C[C@H](C)[NH2+]Cc2cccc(Br)c2O)cc1 ZINC001181464561 1051232959 /nfs/dbraw/zinc/23/29/59/1051232959.db2.gz NZLHUZFLQPARHS-ZDUSSCGKSA-N 1 2 334.257 4.184 20 10 EICDLO COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC001182297335 1051475122 /nfs/dbraw/zinc/47/51/22/1051475122.db2.gz CZYULKADCBDVAZ-SNVBAGLBSA-N 1 2 341.785 4.053 20 10 EICDLO COc1ccc([N@H+](CCc2ccccc2)C[C@@H]2CCCOC2)cc1 ZINC001191882792 1051579058 /nfs/dbraw/zinc/57/90/58/1051579058.db2.gz UQGURTLDGJNWPM-IBGZPJMESA-N 1 2 325.452 4.171 20 10 EICDLO COc1ccc([N@@H+](CCc2ccccc2)C[C@@H]2CCCOC2)cc1 ZINC001191882792 1051579073 /nfs/dbraw/zinc/57/90/73/1051579073.db2.gz UQGURTLDGJNWPM-IBGZPJMESA-N 1 2 325.452 4.171 20 10 EICDLO Oc1cc2c(cc1C[N@@H+]1CCSC[C@@H]1c1nccs1)CCCC2 ZINC000184875495 1052274597 /nfs/dbraw/zinc/27/45/97/1052274597.db2.gz IEKZGOXEEXWQNK-MRXNPFEDSA-N 1 2 346.521 4.018 20 10 EICDLO Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1c1nccs1)CCCC2 ZINC000184875495 1052274601 /nfs/dbraw/zinc/27/46/01/1052274601.db2.gz IEKZGOXEEXWQNK-MRXNPFEDSA-N 1 2 346.521 4.018 20 10 EICDLO C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000185469399 1052610967 /nfs/dbraw/zinc/61/09/67/1052610967.db2.gz VQBLCFOMKHZVQV-JKSUJKDBSA-N 1 2 342.458 4.408 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH+]1CCC(OCc2ccccc2)CC1 ZINC000775644630 1053336874 /nfs/dbraw/zinc/33/68/74/1053336874.db2.gz LVCFADCVBQOWPH-UHFFFAOYSA-N 1 2 349.833 4.366 20 10 EICDLO CCC[C@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)[C@@H](O)c1ccccc1 ZINC000794830795 1053443623 /nfs/dbraw/zinc/44/36/23/1053443623.db2.gz LIXJLQDVQUBJQN-UUWFMWQGSA-N 1 2 335.394 4.223 20 10 EICDLO C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000794836472 1053478422 /nfs/dbraw/zinc/47/84/22/1053478422.db2.gz OMAJOLMOAHAZHC-PNESKVBLSA-N 1 2 343.298 4.367 20 10 EICDLO C[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)CC(F)F ZINC000842890011 1053580595 /nfs/dbraw/zinc/58/05/95/1053580595.db2.gz KGGYMFXHMWXKIZ-SFYZADRCSA-N 1 2 340.183 4.236 20 10 EICDLO OCC[N@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCCc2ccccc21 ZINC000775697192 1053612672 /nfs/dbraw/zinc/61/26/72/1053612672.db2.gz WPGZUXBHKJHFTH-GOSISDBHSA-N 1 2 349.833 4.057 20 10 EICDLO OCC[N@@H+](Cc1cc(Cl)cc(F)c1O)[C@@H]1CCCc2ccccc21 ZINC000775697192 1053612679 /nfs/dbraw/zinc/61/26/79/1053612679.db2.gz WPGZUXBHKJHFTH-GOSISDBHSA-N 1 2 349.833 4.057 20 10 EICDLO Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(Cl)c2O)[C@@H](C)CO1 ZINC000775715469 1053664044 /nfs/dbraw/zinc/66/40/44/1053664044.db2.gz XQCULVTZNDQDNC-KSSFIOAISA-N 1 2 331.843 4.316 20 10 EICDLO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(Cl)c2O)[C@@H](C)CO1 ZINC000775715469 1053664046 /nfs/dbraw/zinc/66/40/46/1053664046.db2.gz XQCULVTZNDQDNC-KSSFIOAISA-N 1 2 331.843 4.316 20 10 EICDLO C[C@@H]([NH2+]Cc1noc(-c2c(F)cccc2Cl)n1)c1ccccc1O ZINC001197004110 1053820004 /nfs/dbraw/zinc/82/00/04/1053820004.db2.gz NOOYGEPMFFBWMP-SNVBAGLBSA-N 1 2 347.777 4.086 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2c2cncc(C)c2)c1O ZINC001197135804 1053835623 /nfs/dbraw/zinc/83/56/23/1053835623.db2.gz QBJSCSLKRXKRAR-GOSISDBHSA-N 1 2 344.842 4.289 20 10 EICDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2c2cncc(C)c2)c1O ZINC001197135804 1053835626 /nfs/dbraw/zinc/83/56/26/1053835626.db2.gz QBJSCSLKRXKRAR-GOSISDBHSA-N 1 2 344.842 4.289 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(F)c(N(C)C)cc1F)c1c(F)cccc1F ZINC000858101088 1054416484 /nfs/dbraw/zinc/41/64/84/1054416484.db2.gz YSYNNKQVSVEIEI-SNVBAGLBSA-N 1 2 326.337 4.160 20 10 EICDLO COc1ccc(Cl)cc1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC001199801864 1054473177 /nfs/dbraw/zinc/47/31/77/1054473177.db2.gz RZIJTXGNZXOMLV-UHFFFAOYSA-N 1 2 330.186 4.137 20 10 EICDLO CCCOc1ccc(C[NH2+][C@@H](C)c2nc(C(C)(C)C)no2)cc1C ZINC000873065134 1054481251 /nfs/dbraw/zinc/48/12/51/1054481251.db2.gz FHGPCEVIFICJFS-AWEZNQCLSA-N 1 2 331.460 4.315 20 10 EICDLO CCCOc1ccc(C[NH2+]Cc2nnc(C(C)(C)C)s2)cc1C ZINC000873076584 1054484089 /nfs/dbraw/zinc/48/40/89/1054484089.db2.gz SJYBIXMWPLNJPA-UHFFFAOYSA-N 1 2 333.501 4.223 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc(Br)c1 ZINC000124749041 1054602689 /nfs/dbraw/zinc/60/26/89/1054602689.db2.gz CEFKZJDCUQRIMD-UHFFFAOYSA-N 1 2 326.621 4.098 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cc1 ZINC001201497161 1054820165 /nfs/dbraw/zinc/82/01/65/1054820165.db2.gz DIVNHPUJEAWDNU-UHFFFAOYSA-N 1 2 325.412 4.360 20 10 EICDLO CC(C)[NH2+]c1ccc(Nc2ccc(S(=O)(=O)C3CC3)cc2)cc1 ZINC001201504129 1054822510 /nfs/dbraw/zinc/82/25/10/1054822510.db2.gz BVKCCSRVDARHDQ-UHFFFAOYSA-N 1 2 330.453 4.187 20 10 EICDLO Cc1cc(O)c(C[N@@H+](C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000825882335 1054927830 /nfs/dbraw/zinc/92/78/30/1054927830.db2.gz IOCJGSYKABJYRI-UHFFFAOYSA-N 1 2 349.843 4.098 20 10 EICDLO Cc1cc(O)c(C[N@H+](C)Cc2nc(-c3cccs3)no2)cc1Cl ZINC000825882335 1054927817 /nfs/dbraw/zinc/92/78/17/1054927817.db2.gz IOCJGSYKABJYRI-UHFFFAOYSA-N 1 2 349.843 4.098 20 10 EICDLO Oc1c(C[N@@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565063 1054931845 /nfs/dbraw/zinc/93/18/45/1054931845.db2.gz XUFGJJOZKNUJTM-CYBMUJFWSA-N 1 2 344.361 4.191 20 10 EICDLO Oc1c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)ccc(F)c1F ZINC000876565063 1054931851 /nfs/dbraw/zinc/93/18/51/1054931851.db2.gz XUFGJJOZKNUJTM-CYBMUJFWSA-N 1 2 344.361 4.191 20 10 EICDLO C[C@@H]([NH2+]Cc1cccc(Cl)c1O)[C@@H](O)c1c(F)cccc1Cl ZINC000776221265 1054938805 /nfs/dbraw/zinc/93/88/05/1054938805.db2.gz UMQCCAORRTVSND-RFAUZJTJSA-N 1 2 344.213 4.050 20 10 EICDLO COc1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2O)c(OC)c1 ZINC000529653614 1032511370 /nfs/dbraw/zinc/51/13/70/1032511370.db2.gz RUQMMHXADXKWSG-JTQLQIEISA-N 1 2 339.794 4.053 20 10 EICDLO CC[C@H]([NH2+][C@H]1CCCn2nc(C(C)C)nc21)c1cccc(Cl)c1O ZINC000376831554 1023320753 /nfs/dbraw/zinc/32/07/53/1023320753.db2.gz AQJLKMZZMXTBCQ-GJZGRUSLSA-N 1 2 348.878 4.336 20 10 EICDLO CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000368687157 1023745916 /nfs/dbraw/zinc/74/59/16/1023745916.db2.gz IXGIYKQVYSVQRY-BXKDBHETSA-N 1 2 340.254 4.020 20 10 EICDLO Cc1c2ccccc2n(C)c1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000519518309 1025864710 /nfs/dbraw/zinc/86/47/10/1025864710.db2.gz ZCJFMEFNEIEOQO-LJQANCHMSA-N 1 2 337.471 4.016 20 10 EICDLO COc1ccc(O)c(CNc2cccc(-c3[nH+]cc4n3CCCC4)c2)c1 ZINC000278644296 1029643103 /nfs/dbraw/zinc/64/31/03/1029643103.db2.gz JFCYNWYNSLFTPG-UHFFFAOYSA-N 1 2 349.434 4.213 20 10 EICDLO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000190879022 1030577473 /nfs/dbraw/zinc/57/74/73/1030577473.db2.gz SKZJIFKLOPHGBM-IBGZPJMESA-N 1 2 342.801 4.459 20 10 EICDLO CC[C@H]([NH2+][C@@H](c1nccn1C)c1ccccc1)c1ccc(F)cc1O ZINC000796683157 1030748481 /nfs/dbraw/zinc/74/84/81/1030748481.db2.gz NEBUTOSJKXJSOK-PKOBYXMFSA-N 1 2 339.414 4.095 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]CCc1ccc(Cl)s1 ZINC000227441227 1035796827 /nfs/dbraw/zinc/79/68/27/1035796827.db2.gz ABRRIJBWDDUHST-UHFFFAOYSA-N 1 2 346.677 4.202 20 10 EICDLO Cc1ccc([C@H](C)[NH2+][C@@H](c2nccn2C)c2ccccc2F)c(O)c1 ZINC000273435621 1037464180 /nfs/dbraw/zinc/46/41/80/1037464180.db2.gz WVRPCKXCHWEWHG-IFXJQAMLSA-N 1 2 339.414 4.013 20 10 EICDLO CCc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)s1 ZINC000290291138 1041855466 /nfs/dbraw/zinc/85/54/66/1041855466.db2.gz XYQMTNNRLTWWDZ-ZDUSSCGKSA-N 1 2 348.491 4.081 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000715726625 1043167280 /nfs/dbraw/zinc/16/72/80/1043167280.db2.gz VBJHASGDEDIDPI-HZMBPMFUSA-N 1 2 328.225 4.058 20 10 EICDLO Oc1c(F)cc(Br)cc1C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000715726625 1043167284 /nfs/dbraw/zinc/16/72/84/1043167284.db2.gz VBJHASGDEDIDPI-HZMBPMFUSA-N 1 2 328.225 4.058 20 10 EICDLO Cc1ccc([C@H](C)[NH2+]Cc2cc(Br)cc(F)c2O)cc1 ZINC000715746260 1043622781 /nfs/dbraw/zinc/62/27/81/1043622781.db2.gz STFWQOZOYFPIES-NSHDSACASA-N 1 2 338.220 4.453 20 10 EICDLO CC[C@H]1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2O)C1 ZINC000715789224 1044576543 /nfs/dbraw/zinc/57/65/43/1044576543.db2.gz OFTXEAWMSXBLFN-GWCFXTLKSA-N 1 2 330.241 4.352 20 10 EICDLO Oc1c(F)cc(Br)cc1C[NH+]1C2CCCC1CCC2 ZINC000715818299 1044855093 /nfs/dbraw/zinc/85/50/93/1044855093.db2.gz ZDDAKYVOIUKPOG-UHFFFAOYSA-N 1 2 328.225 4.201 20 10 EICDLO C[C@@H]1c2ccsc2CC[N@@H+]1Cc1cccc(Br)c1O ZINC000768209424 1045742865 /nfs/dbraw/zinc/74/28/65/1045742865.db2.gz QOIMCYWBXVAKBH-SNVBAGLBSA-N 1 2 338.270 4.336 20 10 EICDLO C[C@@H]1c2ccsc2CC[N@H+]1Cc1cccc(Br)c1O ZINC000768209424 1045742852 /nfs/dbraw/zinc/74/28/52/1045742852.db2.gz QOIMCYWBXVAKBH-SNVBAGLBSA-N 1 2 338.270 4.336 20 10 EICDLO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000768530538 1045816859 /nfs/dbraw/zinc/81/68/59/1045816859.db2.gz JUIVAOSTMHWENO-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(Cl)c3)C2)c1 ZINC000768530538 1045816865 /nfs/dbraw/zinc/81/68/65/1045816865.db2.gz JUIVAOSTMHWENO-IBGZPJMESA-N 1 2 347.842 4.018 20 10 EICDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174662 1045872782 /nfs/dbraw/zinc/87/27/82/1045872782.db2.gz YFFUGKYQDMVCGD-DTWKUNHWSA-N 1 2 325.733 4.348 20 10 EICDLO C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000792174662 1045872783 /nfs/dbraw/zinc/87/27/83/1045872783.db2.gz YFFUGKYQDMVCGD-DTWKUNHWSA-N 1 2 325.733 4.348 20 10 EICDLO CC[C@@H]([NH2+]C[C@@H]1COc2ccccc2C1)c1cccc(Cl)c1O ZINC000806132859 1047123987 /nfs/dbraw/zinc/12/39/87/1047123987.db2.gz BSWNVNJXZRQOEM-CXAGYDPISA-N 1 2 331.843 4.338 20 10 EICDLO CCCOc1ncccc1C[NH2+][C@H](CC)c1cccc(Cl)c1O ZINC000806134581 1047128562 /nfs/dbraw/zinc/12/85/62/1047128562.db2.gz ZVHQLYJEYPMZQA-MRXNPFEDSA-N 1 2 334.847 4.470 20 10 EICDLO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCCO2)c1cccc(Cl)c1O ZINC000806136719 1047131879 /nfs/dbraw/zinc/13/18/79/1047131879.db2.gz FYNVOKUVEZHTSA-MRXNPFEDSA-N 1 2 347.842 4.448 20 10 EICDLO CC[C@H]([NH2+]CCn1cnc2ccccc21)c1cccc(Cl)c1O ZINC000806135639 1047132619 /nfs/dbraw/zinc/13/26/19/1047132619.db2.gz VAUAOLHBYNQFDY-HNNXBMFYSA-N 1 2 329.831 4.136 20 10 EICDLO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1O ZINC000806137771 1047133963 /nfs/dbraw/zinc/13/39/63/1047133963.db2.gz NRSUJKQXLXDCBG-INIZCTEOSA-N 1 2 334.803 4.237 20 10 EICDLO CC[C@H]([NH2+]CCCc1c(C)nn(C)c1C)c1cccc(Cl)c1O ZINC000806150142 1047173070 /nfs/dbraw/zinc/17/30/70/1047173070.db2.gz MCUNAICAMHXICU-KRWDZBQOSA-N 1 2 335.879 4.069 20 10 EICDLO CC[C@H]([NH2+]CCC[C@@H]1CCCC[C@H]1O)c1cccc(Cl)c1O ZINC000806149999 1047173313 /nfs/dbraw/zinc/17/33/13/1047173313.db2.gz ZUECSGCZWCILKU-RRQGHBQHSA-N 1 2 325.880 4.418 20 10 EICDLO CC[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)c1cccc(Cl)c1O ZINC000806157069 1047179507 /nfs/dbraw/zinc/17/95/07/1047179507.db2.gz BCCKSQYTFVXIKD-CRAIPNDOSA-N 1 2 333.859 4.080 20 10 EICDLO Cc1ccc2[nH]c(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3O)nc2c1 ZINC000788606929 1047244959 /nfs/dbraw/zinc/24/49/59/1047244959.db2.gz BDRIOFBZQVXOFE-LLVKDONJSA-N 1 2 349.356 4.447 20 10 EICDLO Cc1ccc2nc(C[NH2+][C@H](C)c3cccc(C(F)(F)F)c3O)[nH]c2c1 ZINC000788606929 1047244969 /nfs/dbraw/zinc/24/49/69/1047244969.db2.gz BDRIOFBZQVXOFE-LLVKDONJSA-N 1 2 349.356 4.447 20 10 EICDLO Oc1cc2c(cc1O)C[N@H+](Cc1cc3c(cccc3Cl)[nH]1)CCC2 ZINC001136863483 1047859113 /nfs/dbraw/zinc/85/91/13/1047859113.db2.gz DLYQCVDGRNJCCF-UHFFFAOYSA-N 1 2 342.826 4.181 20 10 EICDLO Oc1cc2c(cc1O)C[N@@H+](Cc1cc3c(cccc3Cl)[nH]1)CCC2 ZINC001136863483 1047859116 /nfs/dbraw/zinc/85/91/16/1047859116.db2.gz DLYQCVDGRNJCCF-UHFFFAOYSA-N 1 2 342.826 4.181 20 10 EICDLO C[C@@H]([NH2+]Cc1cc(Cl)cc(F)c1O)[C@@H]1OCCc2sccc21 ZINC000814177467 1047869236 /nfs/dbraw/zinc/86/92/36/1047869236.db2.gz CRSLNCBBNGTPMG-ABKXIKBNSA-N 1 2 341.835 4.038 20 10 EICDLO Oc1cc(Br)ccc1CNc1ccc([NH+]2CCCC2)cc1 ZINC000824962946 1047994162 /nfs/dbraw/zinc/99/41/62/1047994162.db2.gz JUWGDBACSNSROQ-UHFFFAOYSA-N 1 2 347.256 4.367 20 10 EICDLO Oc1cccc2c1C[N@H+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866957 1048253211 /nfs/dbraw/zinc/25/32/11/1048253211.db2.gz RGRMBKBEDIKCBZ-UHFFFAOYSA-N 1 2 326.198 4.396 20 10 EICDLO Oc1cccc2c1C[N@@H+](Cc1c(F)ccc(Cl)c1Cl)CC2 ZINC001143866957 1048253228 /nfs/dbraw/zinc/25/32/28/1048253228.db2.gz RGRMBKBEDIKCBZ-UHFFFAOYSA-N 1 2 326.198 4.396 20 10 EICDLO CN(C)c1ccc(C[N@H+](Cc2cc(C(C)(C)C)on2)C2CC2)cc1 ZINC000809935900 1048567280 /nfs/dbraw/zinc/56/72/80/1048567280.db2.gz NYEQQFOXSUIPPX-UHFFFAOYSA-N 1 2 327.472 4.203 20 10 EICDLO CN(C)c1ccc(C[N@@H+](Cc2cc(C(C)(C)C)on2)C2CC2)cc1 ZINC000809935900 1048567296 /nfs/dbraw/zinc/56/72/96/1048567296.db2.gz NYEQQFOXSUIPPX-UHFFFAOYSA-N 1 2 327.472 4.203 20 10 EICDLO CCc1nocc1C[N@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000816610177 1048843646 /nfs/dbraw/zinc/84/36/46/1048843646.db2.gz AKVSOJSAOJZQTK-UHFFFAOYSA-N 1 2 339.439 4.098 20 10 EICDLO CCc1nocc1C[N@@H+](Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000816610177 1048843647 /nfs/dbraw/zinc/84/36/47/1048843647.db2.gz AKVSOJSAOJZQTK-UHFFFAOYSA-N 1 2 339.439 4.098 20 10 EICDLO CC[C@H]([NH2+]C[C@H](O)c1ccccc1Cl)c1cccc(Cl)c1O ZINC000806147013 1049543901 /nfs/dbraw/zinc/54/39/01/1049543901.db2.gz SISWJZUYCBNWCE-HOTGVXAUSA-N 1 2 340.250 4.473 20 10 EICDLO CC[C@H]([NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)c1cccc(Cl)c1O ZINC000806150076 1049810861 /nfs/dbraw/zinc/81/08/61/1049810861.db2.gz KTHRVBKQTFGVKB-KNCOVGOOSA-N 1 2 343.945 4.466 20 10 EICDLO Oc1c(F)cc(Cl)cc1C[NH2+]Cc1csc(-c2ccco2)n1 ZINC001178000086 1050351470 /nfs/dbraw/zinc/35/14/70/1050351470.db2.gz VNBITHFSQFVXRJ-UHFFFAOYSA-N 1 2 338.791 4.191 20 10 EICDLO Oc1c(F)cc(F)cc1CNc1ccc(Nc2ccccc2)c[nH+]1 ZINC001179205184 1050649435 /nfs/dbraw/zinc/64/94/35/1050649435.db2.gz LDTKNGNMDAPVON-UHFFFAOYSA-N 1 2 327.334 4.421 20 10 EICDLO CCN(CC)c1ccc(C[N@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001180364426 1050984481 /nfs/dbraw/zinc/98/44/81/1050984481.db2.gz SOXGPHWUCPWAFM-UHFFFAOYSA-N 1 2 334.410 4.149 20 10 EICDLO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(O)c(F)c2F)cc1 ZINC001180364426 1050984503 /nfs/dbraw/zinc/98/45/03/1050984503.db2.gz SOXGPHWUCPWAFM-UHFFFAOYSA-N 1 2 334.410 4.149 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]C1(Cc2ccccc2)CC1 ZINC000775323398 1051068340 /nfs/dbraw/zinc/06/83/40/1051068340.db2.gz DGEAASVHAIEXJG-UHFFFAOYSA-N 1 2 332.241 4.020 20 10 EICDLO CSc1cccc(F)c1C[NH2+]Cc1cc(Cl)cc(F)c1O ZINC000809690049 1051398246 /nfs/dbraw/zinc/39/82/46/1051398246.db2.gz ZBBYGNYVLBWRHT-UHFFFAOYSA-N 1 2 329.799 4.336 20 10 EICDLO CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775705262 1053622895 /nfs/dbraw/zinc/62/28/95/1053622895.db2.gz IBDVYMPDVMVRMH-SFHVURJKSA-N 1 2 333.859 4.065 20 10 EICDLO CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)Cc1cccc(Cl)c1O ZINC000775705262 1053622902 /nfs/dbraw/zinc/62/29/02/1053622902.db2.gz IBDVYMPDVMVRMH-SFHVURJKSA-N 1 2 333.859 4.065 20 10 EICDLO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775707666 1053640387 /nfs/dbraw/zinc/64/03/87/1053640387.db2.gz YJEWEIMMKFUQME-SFHVURJKSA-N 1 2 330.859 4.449 20 10 EICDLO CN(C)c1cccc([C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2O)c1 ZINC000775707666 1053640395 /nfs/dbraw/zinc/64/03/95/1053640395.db2.gz YJEWEIMMKFUQME-SFHVURJKSA-N 1 2 330.859 4.449 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000776002714 1054436912 /nfs/dbraw/zinc/43/69/12/1054436912.db2.gz UUAJIFFEAXQLQN-UHFFFAOYSA-N 1 2 345.748 4.277 20 10 EICDLO CCOC(=O)c1cnn2ccc(Nc3ccc([NH2+]C(C)C)cc3)cc12 ZINC001201489181 1054816952 /nfs/dbraw/zinc/81/69/52/1054816952.db2.gz LZQVBDUBJBQLCX-UHFFFAOYSA-N 1 2 338.411 4.075 20 10 EICDLO COC(=O)CCc1ccc(Nc2ccc([NH2+]C(C)C)cc2)cc1F ZINC001201505791 1054824390 /nfs/dbraw/zinc/82/43/90/1054824390.db2.gz PWRLDSUNHADOEN-UHFFFAOYSA-N 1 2 330.403 4.495 20 10 EICDLO Oc1c(Cl)cccc1C[NH2+]Cc1ccccc1CC(F)(F)F ZINC000862547781 1055082653 /nfs/dbraw/zinc/08/26/53/1055082653.db2.gz OWANGBCXKMCQBJ-UHFFFAOYSA-N 1 2 329.749 4.440 20 10 EICDLO Oc1c(Br)cccc1C[NH2+]CC1CCC(F)(F)CC1 ZINC000693389725 1055972109 /nfs/dbraw/zinc/97/21/09/1055972109.db2.gz XBQWTPDWGFGCHG-UHFFFAOYSA-N 1 2 334.204 4.070 20 10 EICDLO