smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cnc(C[NH2+]Cc2nccs2)c(C)c1 ZINC000724024213 710736221 /nfs/dbraw/zinc/73/62/21/710736221.db2.gz RIISYWCTFYMEOQ-UHFFFAOYSA-N 1 2 233.340 2.445 10 0 BEAELO Clc1cnc(C[N@@H+]2C[C@H]3CCC[C@H]32)cn1 ZINC000706916938 712158453 /nfs/dbraw/zinc/15/84/53/712158453.db2.gz UEAYNMCTEUIHHB-PSASIEDQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1cnc(C[N@H+]2C[C@H]3CCC[C@H]32)cn1 ZINC000706916938 712158454 /nfs/dbraw/zinc/15/84/54/712158454.db2.gz UEAYNMCTEUIHHB-PSASIEDQSA-N 1 2 223.707 2.114 10 0 BEAELO Cc1cc(=O)[nH]c(C[NH2+][C@H](C)c2ccsc2)n1 ZINC000700469553 712356030 /nfs/dbraw/zinc/35/60/30/712356030.db2.gz QEKNYASEZWFSGY-SECBINFHSA-N 1 2 249.339 2.403 10 0 BEAELO C[C@@H]([NH2+]CC(F)(F)C(F)F)[C@@H]1CCCO1 ZINC000379904089 712622778 /nfs/dbraw/zinc/62/27/78/712622778.db2.gz JKRQZUILYKADKH-RQJHMYQMSA-N 1 2 229.217 2.044 10 0 BEAELO C[C@H]([NH2+]CC(F)(F)C(F)F)[C@H]1CCCO1 ZINC000379904087 712622792 /nfs/dbraw/zinc/62/27/92/712622792.db2.gz JKRQZUILYKADKH-NKWVEPMBSA-N 1 2 229.217 2.044 10 0 BEAELO CCC(CC)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000193128460 168334731 /nfs/dbraw/zinc/33/47/31/168334731.db2.gz SVGOKHNTYAITPB-CYBMUJFWSA-N 1 2 249.358 2.310 10 0 BEAELO Cc1cc(N(C)C)c2c(O)ccc(O)c2[nH+]1 ZINC000255975057 178094029 /nfs/dbraw/zinc/09/40/29/178094029.db2.gz GTLKJZLYLVYLCW-UHFFFAOYSA-N 1 2 218.256 2.020 10 0 BEAELO Cc1ccc([C@](C)(O)CNc2cc(C)[nH+]cn2)o1 ZINC000301410562 178167056 /nfs/dbraw/zinc/16/70/56/178167056.db2.gz JUEIXALLJKSIAY-CYBMUJFWSA-N 1 2 247.298 2.006 10 0 BEAELO Cc1cc(NCc2cn[nH]c2)nc(C(C)C)[nH+]1 ZINC000038006522 178175100 /nfs/dbraw/zinc/17/51/00/178175100.db2.gz LDVFKSFCLRXYJI-UHFFFAOYSA-N 1 2 231.303 2.244 10 0 BEAELO Cc1cc(N[C@H]2CCC[C@H]2O)nc(C(C)C)[nH+]1 ZINC000301673912 178190143 /nfs/dbraw/zinc/19/01/43/178190143.db2.gz RMNGMTOTLDHEGS-WDEREUQCSA-N 1 2 235.331 2.234 10 0 BEAELO Cc1cc(N[C@H]2C[C@H]2C)nc(C2CC2)[nH+]1 ZINC000265322617 178191730 /nfs/dbraw/zinc/19/17/30/178191730.db2.gz FGAZIWYHKHIWIX-XCBNKYQSSA-N 1 2 203.289 2.483 10 0 BEAELO Cc1cc2nc(Cl)c(NN)[nH+]c2cc1C ZINC000073737785 178301313 /nfs/dbraw/zinc/30/13/13/178301313.db2.gz ZKKSOVVPXXDMCZ-UHFFFAOYSA-N 1 2 222.679 2.186 10 0 BEAELO N#C[C@@H]([NH3+])c1c[nH]c2c1cccc2Cl ZINC000259842312 349609316 /nfs/dbraw/zinc/60/93/16/349609316.db2.gz YNRLETIIKITLLX-SECBINFHSA-N 1 2 205.648 2.345 10 0 BEAELO CC[C@@]1(C)N(O)[C@@H](C)C(c2ccccc2)=[N+]1O ZINC000253394061 398279141 /nfs/dbraw/zinc/27/91/41/398279141.db2.gz YARVHMNOGFPZCR-GWCFXTLKSA-N 1 2 235.307 2.097 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H](C)[C@H]1CCCO1 ZINC000389730145 539017414 /nfs/dbraw/zinc/01/74/14/539017414.db2.gz SDLBURFQTXHFDD-CMPLNLGQSA-N 1 2 206.289 2.369 10 0 BEAELO [NH3+][C@@H](c1ncc[nH]1)c1sccc1Cl ZINC000229939540 342857168 /nfs/dbraw/zinc/85/71/68/342857168.db2.gz NDRYCHPWFFOARP-ZCFIWIBFSA-N 1 2 213.693 2.173 10 0 BEAELO [NH3+][C@H](c1ncc[nH]1)c1sccc1Cl ZINC000229939543 342857205 /nfs/dbraw/zinc/85/72/05/342857205.db2.gz NDRYCHPWFFOARP-LURJTMIESA-N 1 2 213.693 2.173 10 0 BEAELO [NH3+][C@@H](c1cnsn1)c1sccc1Cl ZINC000229962002 342859270 /nfs/dbraw/zinc/85/92/70/342859270.db2.gz YFRAMUQXWLKCOL-LURJTMIESA-N 1 2 231.733 2.301 10 0 BEAELO [NH3+][C@H](c1csnn1)c1sccc1Cl ZINC000229961501 342859274 /nfs/dbraw/zinc/85/92/74/342859274.db2.gz FVRBZTYCDIKGBW-ZCFIWIBFSA-N 1 2 231.733 2.301 10 0 BEAELO CCn1nccc1[C@H]1[NH2+]CC[C@H](C)S1 ZINC000164943897 342860598 /nfs/dbraw/zinc/86/05/98/342860598.db2.gz QPQHPDOYTUMLPT-WPRPVWTQSA-N 1 2 211.334 2.017 10 0 BEAELO Cc1[nH+]c2ccccc2n1CC[C@@H]1CO1 ZINC000306663564 362020918 /nfs/dbraw/zinc/02/09/18/362020918.db2.gz VWEVIUAOBRMKET-SNVBAGLBSA-N 1 2 202.257 2.134 10 0 BEAELO C[C@H](O)c1ccc(N2CCC[C@H](C)C2)[nH+]c1 ZINC000124895832 343075340 /nfs/dbraw/zinc/07/53/40/343075340.db2.gz NZFOSSZYXMEGLL-QWRGUYRKSA-N 1 2 220.316 2.371 10 0 BEAELO CC(=O)CC[N@@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126085262 187232684 /nfs/dbraw/zinc/23/26/84/187232684.db2.gz URWOUBZGKPSREE-HNNXBMFYSA-N 1 2 247.338 2.347 10 0 BEAELO CC(=O)CC[N@H+]1CCO[C@H](c2ccccc2C)C1 ZINC000126085262 187232686 /nfs/dbraw/zinc/23/26/86/187232686.db2.gz URWOUBZGKPSREE-HNNXBMFYSA-N 1 2 247.338 2.347 10 0 BEAELO Fc1ccc(-c2cc3[nH+]ccn3[nH]2)cc1 ZINC000033898417 343262470 /nfs/dbraw/zinc/26/24/70/343262470.db2.gz TWXLPMFPJGQJCA-UHFFFAOYSA-N 1 2 201.204 2.469 10 0 BEAELO CCOc1ccc([C@@H](C)c2c[nH]c[nH+]2)nc1 ZINC000034050019 343263847 /nfs/dbraw/zinc/26/38/47/343263847.db2.gz QEKPWAOPMKAEJC-SECBINFHSA-N 1 2 217.272 2.355 10 0 BEAELO COC(=O)CNc1cc(C)[nH+]c2ccccc12 ZINC000035206554 343289849 /nfs/dbraw/zinc/28/98/49/343289849.db2.gz HVOMZTOVLYRDPG-UHFFFAOYSA-N 1 2 230.267 2.128 10 0 BEAELO Cc1nccc(C[NH2+]Cc2cccc(F)c2F)n1 ZINC000038037916 187261753 /nfs/dbraw/zinc/26/17/53/187261753.db2.gz BLACRCLJJTVMDC-UHFFFAOYSA-N 1 2 249.264 2.353 10 0 BEAELO C=C/C=C(\C)C[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1 ZINC000039941333 187262809 /nfs/dbraw/zinc/26/28/09/187262809.db2.gz QZRWYSGSJJMKIZ-RGEGJOEESA-N 1 2 223.316 2.050 10 0 BEAELO COCc1ccccc1NCc1[nH+]ccn1C ZINC000049508512 343600505 /nfs/dbraw/zinc/60/05/05/343600505.db2.gz CKTMOHVKWOFEQJ-UHFFFAOYSA-N 1 2 231.299 2.179 10 0 BEAELO CCNc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000128357698 346953174 /nfs/dbraw/zinc/95/31/74/346953174.db2.gz NCYTXESLBRUZHE-UHFFFAOYSA-N 1 2 243.314 2.103 10 0 BEAELO CCNc1cc(NCc2ccccc2)[nH+]c(N)n1 ZINC000128357698 346953175 /nfs/dbraw/zinc/95/31/75/346953175.db2.gz NCYTXESLBRUZHE-UHFFFAOYSA-N 1 2 243.314 2.103 10 0 BEAELO CNc1[nH+]cccc1CSc1cc(C)nn1C ZINC000052756668 187270886 /nfs/dbraw/zinc/27/08/86/187270886.db2.gz OKZKIOLAPRSXDH-UHFFFAOYSA-N 1 2 248.355 2.458 10 0 BEAELO Fc1ccc([C@H]2[NH2+]CCS2)c(F)c1 ZINC000050522752 343782132 /nfs/dbraw/zinc/78/21/32/343782132.db2.gz LSYOEFWWDYJDAZ-VIFPVBQESA-N 1 2 201.241 2.300 10 0 BEAELO O=C1CC(c2ccsc2)=NN1C[C@@H]1CCC[NH2+]1 ZINC000409436867 343841175 /nfs/dbraw/zinc/84/11/75/343841175.db2.gz BRZTUSAZDJKXGG-JTQLQIEISA-N 1 2 249.339 2.069 10 0 BEAELO O=c1cc(-c2ccsc2)[nH]n1C[C@@H]1CCC[NH2+]1 ZINC000409436867 343841177 /nfs/dbraw/zinc/84/11/77/343841177.db2.gz BRZTUSAZDJKXGG-JTQLQIEISA-N 1 2 249.339 2.069 10 0 BEAELO COC(=[NH2+])Cn1nc(C2CC2)cc1C1CC1 ZINC000409438345 343850309 /nfs/dbraw/zinc/85/03/09/343850309.db2.gz CYJWOPGLNBUECO-UHFFFAOYSA-N 1 2 219.288 2.262 10 0 BEAELO Cc1cccc(Cc2cc(N)nc(C)[nH+]2)c1 ZINC000575622047 343870672 /nfs/dbraw/zinc/87/06/72/343870672.db2.gz JKLDZIZJRJVTNC-UHFFFAOYSA-N 1 2 213.284 2.097 10 0 BEAELO COc1cc(NCc2ccco2)cc[nH+]1 ZINC000127037291 344187057 /nfs/dbraw/zinc/18/70/57/344187057.db2.gz QKWPUZIDTWFTHK-UHFFFAOYSA-N 1 2 204.229 2.295 10 0 BEAELO Cc1cc(N[C@H]2CCc3cc(N)ccc32)nc[nH+]1 ZINC000094092753 344326108 /nfs/dbraw/zinc/32/61/08/344326108.db2.gz GHHRVFUZBCFMFG-ZDUSSCGKSA-N 1 2 240.310 2.467 10 0 BEAELO Fc1ccc2oc(Cn3cc[nH+]c3)nc2c1 ZINC000132582499 344483535 /nfs/dbraw/zinc/48/35/35/344483535.db2.gz VHNUFDNPJSUCHR-UHFFFAOYSA-N 1 2 217.203 2.212 10 0 BEAELO CC(C)c1nsc(N[C@H](C)CCCC[NH3+])n1 ZINC000381297584 344493365 /nfs/dbraw/zinc/49/33/65/344493365.db2.gz AAVITAQBCMZNKM-SECBINFHSA-N 1 2 242.392 2.013 10 0 BEAELO CC(=O)[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000050132305 344646771 /nfs/dbraw/zinc/64/67/71/344646771.db2.gz NRPPDKGSUDJSSX-QMMMGPOBSA-N 1 2 209.314 2.084 10 0 BEAELO CC(=O)[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000050132305 344646777 /nfs/dbraw/zinc/64/67/77/344646777.db2.gz NRPPDKGSUDJSSX-QMMMGPOBSA-N 1 2 209.314 2.084 10 0 BEAELO Cc1[nH]c(CN2CCO[C@@H]3CCCC[C@@H]32)[nH+]c1C ZINC000628146041 344825039 /nfs/dbraw/zinc/82/50/39/344825039.db2.gz CIQJIEHKWDRHMB-QWHCGFSZSA-N 1 2 249.358 2.170 10 0 BEAELO C[C@@H]1Cn2c[nH+]cc2CN1C(=O)OC(C)(C)C ZINC000307500101 344852030 /nfs/dbraw/zinc/85/20/30/344852030.db2.gz HPDUVDQMLLEWDH-SECBINFHSA-N 1 2 237.303 2.022 10 0 BEAELO Cc1cc(-c2cc(NN)cc[nH+]2)cs1 ZINC000227694747 345126043 /nfs/dbraw/zinc/12/60/43/345126043.db2.gz SQJCUFSLEGQEHY-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO Oc1ccc2c(c1)CC[C@@H]2Cc1c[nH]c[nH+]1 ZINC000033979415 345814601 /nfs/dbraw/zinc/81/46/01/345814601.db2.gz VKGOZWQNMQSNNR-SECBINFHSA-N 1 2 214.268 2.388 10 0 BEAELO Oc1ccc2c(c1)CC[C@@H]2Cc1c[nH+]c[nH]1 ZINC000033979415 345814603 /nfs/dbraw/zinc/81/46/03/345814603.db2.gz VKGOZWQNMQSNNR-SECBINFHSA-N 1 2 214.268 2.388 10 0 BEAELO CC[N@@H+]1CCc2nc(Cl)sc2C1 ZINC000061714226 345845552 /nfs/dbraw/zinc/84/55/52/345845552.db2.gz ALHGDRDTYAWMSW-UHFFFAOYSA-N 1 2 202.710 2.175 10 0 BEAELO CC[N@H+]1CCc2nc(Cl)sc2C1 ZINC000061714226 345845555 /nfs/dbraw/zinc/84/55/55/345845555.db2.gz ALHGDRDTYAWMSW-UHFFFAOYSA-N 1 2 202.710 2.175 10 0 BEAELO Cc1ccc(OCCCC[NH+]2CC2)cc1 ZINC000143379466 345865371 /nfs/dbraw/zinc/86/53/71/345865371.db2.gz DGKUZJHBUYLOHM-UHFFFAOYSA-N 1 2 205.301 2.470 10 0 BEAELO Cc1c(N)c[nH+]cc1-c1ccncc1F ZINC000722743570 537929105 /nfs/dbraw/zinc/92/91/05/537929105.db2.gz HBLHFLKECLLPNF-UHFFFAOYSA-N 1 2 203.220 2.173 10 0 BEAELO [NH3+][C@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236300071 346223299 /nfs/dbraw/zinc/22/32/99/346223299.db2.gz XOKDWIXVJZNIKP-GSVOUGTGSA-N 1 2 232.177 2.427 10 0 BEAELO Cc1cccc(C)c1NCC[NH+]1CCOCC1 ZINC000032089897 179043568 /nfs/dbraw/zinc/04/35/68/179043568.db2.gz LUCSNQHMUITSDV-UHFFFAOYSA-N 1 2 234.343 2.048 10 0 BEAELO CN(Cc1ccccc1)c1cccc(CO)[nH+]1 ZINC000051041727 346460477 /nfs/dbraw/zinc/46/04/77/346460477.db2.gz NZOYNGRLAIQMNO-UHFFFAOYSA-N 1 2 228.295 2.210 10 0 BEAELO Cc1cccc(Nc2cc(N)nc(N)[nH+]2)c1C ZINC000082296250 179159037 /nfs/dbraw/zinc/15/90/37/179159037.db2.gz LXPWSBIKFYHRBI-UHFFFAOYSA-N 1 2 229.287 2.001 10 0 BEAELO NC(=O)Nc1ccc2c(c1)[nH+]c1n2CCCCC1 ZINC000192660429 347381560 /nfs/dbraw/zinc/38/15/60/347381560.db2.gz IEBOQXPOPNMYSM-UHFFFAOYSA-N 1 2 244.298 2.253 10 0 BEAELO Cc1cccc2[nH+]cc([C@H](N)C(F)(F)F)n21 ZINC000031919698 179232172 /nfs/dbraw/zinc/23/21/72/179232172.db2.gz GPRBYUHUUFIUGR-VIFPVBQESA-N 1 2 229.205 2.205 10 0 BEAELO CC(C)(O)c1c[nH+]c2cc(N)ccc2c1 ZINC000149941155 347571093 /nfs/dbraw/zinc/57/10/93/347571093.db2.gz WUTBRXNIQXBGDZ-UHFFFAOYSA-N 1 2 202.257 2.044 10 0 BEAELO Cc1nnc(C[N@H+](C)Cc2ccccc2C)n1C ZINC000051380864 179268561 /nfs/dbraw/zinc/26/85/61/179268561.db2.gz XZRIJJUAKKEZHB-UHFFFAOYSA-N 1 2 244.342 2.064 10 0 BEAELO Cc1nnc(C[N@@H+](C)Cc2ccccc2C)n1C ZINC000051380864 179268563 /nfs/dbraw/zinc/26/85/63/179268563.db2.gz XZRIJJUAKKEZHB-UHFFFAOYSA-N 1 2 244.342 2.064 10 0 BEAELO O=C(Cc1[nH]cc[nH+]1)c1ccccc1Cl ZINC000036946623 347984671 /nfs/dbraw/zinc/98/46/71/347984671.db2.gz RMKOGQRITYGMIY-UHFFFAOYSA-N 1 2 220.659 2.489 10 0 BEAELO Cn1c[nH+]cc1-c1c[nH]c2cnc(F)cc21 ZINC000669381404 537996244 /nfs/dbraw/zinc/99/62/44/537996244.db2.gz ITLWZBUHCWVNNP-UHFFFAOYSA-N 1 2 216.219 2.103 10 0 BEAELO Nc1ccc(SCc2cscn2)c[nH+]1 ZINC000037192487 348053135 /nfs/dbraw/zinc/05/31/35/348053135.db2.gz ZPWRIQPCOMJCIJ-UHFFFAOYSA-N 1 2 223.326 2.413 10 0 BEAELO CCC(CC)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000080473703 535075548 /nfs/dbraw/zinc/07/55/48/535075548.db2.gz MRQWAPMPYONNKY-NSHDSACASA-N 1 2 235.331 2.065 10 0 BEAELO Nc1cn(Cc2cc(Cl)ccc2F)c[nH+]1 ZINC000725247289 538010929 /nfs/dbraw/zinc/01/09/29/538010929.db2.gz HBIOQMUEWFWIHT-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO CC[C@H](c1ccccc1)[N@@H+]1CCC(=O)C1 ZINC000051628298 350000739 /nfs/dbraw/zinc/00/07/39/350000739.db2.gz XQHUNZLYZKTOEH-CYBMUJFWSA-N 1 2 203.285 2.413 10 0 BEAELO CC[C@H](c1ccccc1)[N@H+]1CCC(=O)C1 ZINC000051628298 350000741 /nfs/dbraw/zinc/00/07/41/350000741.db2.gz XQHUNZLYZKTOEH-CYBMUJFWSA-N 1 2 203.285 2.413 10 0 BEAELO Cc1[nH+]c2ccc(Cl)cn2c1[C@@H](C)O ZINC000031920168 180091055 /nfs/dbraw/zinc/09/10/55/180091055.db2.gz QRTNAVFLXQAHDU-SSDOTTSWSA-N 1 2 210.664 2.349 10 0 BEAELO Cc1[nH+]c2n(c1Br)CCCC2 ZINC000049815748 180109686 /nfs/dbraw/zinc/10/96/86/180109686.db2.gz GSIJQBIKDGLFAC-UHFFFAOYSA-N 1 2 215.094 2.290 10 0 BEAELO Cc1[nH+]c2cccc(Cl)n2c1[C@H](C)O ZINC000074375202 180099552 /nfs/dbraw/zinc/09/95/52/180099552.db2.gz LBHVXOGZKZRPRI-ZETCQYMHSA-N 1 2 210.664 2.349 10 0 BEAELO Cc1nc2ccccc2n1Cc1[nH+]ccn1C ZINC000075973120 180102931 /nfs/dbraw/zinc/10/29/31/180102931.db2.gz UXRANMVGEYPWMJ-UHFFFAOYSA-N 1 2 226.283 2.127 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1ccc(O)cc1 ZINC000054796174 180121042 /nfs/dbraw/zinc/12/10/42/180121042.db2.gz MFUZREYQMQSKEP-UHFFFAOYSA-N 1 2 203.245 2.036 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1cccc(O)c1 ZINC000054794348 180121729 /nfs/dbraw/zinc/12/17/29/180121729.db2.gz UVLSNTBFJZHMJI-UHFFFAOYSA-N 1 2 203.245 2.036 10 0 BEAELO Cc1ncc(C[NH2+][C@@H](C)c2cc[nH]n2)s1 ZINC000040997854 180154567 /nfs/dbraw/zinc/15/45/67/180154567.db2.gz MIJSYHBQYRDHLE-ZETCQYMHSA-N 1 2 222.317 2.025 10 0 BEAELO Cc1nc([C@H](C)Nc2cc[nH+]c(C)n2)cs1 ZINC000336776261 180182119 /nfs/dbraw/zinc/18/21/19/180182119.db2.gz FHQTWSHZRHBRPD-ZETCQYMHSA-N 1 2 234.328 2.145 10 0 BEAELO Cc1ncsc1CCOc1cc[nH+]cc1N ZINC000020370794 180310273 /nfs/dbraw/zinc/31/02/73/180310273.db2.gz BWZCYFQPMAFRJR-UHFFFAOYSA-N 1 2 235.312 2.050 10 0 BEAELO CCc1cc(N[C@@H](C)[C@H]2CCCO2)nc[nH+]1 ZINC000040765115 350394481 /nfs/dbraw/zinc/39/44/81/350394481.db2.gz VJLWXXVVJOQHQW-GXSJLCMTSA-N 1 2 221.304 2.018 10 0 BEAELO CCc1cc(N[C@H](C)[C@H]2CCCO2)nc[nH+]1 ZINC000040765116 350394581 /nfs/dbraw/zinc/39/45/81/350394581.db2.gz VJLWXXVVJOQHQW-MWLCHTKSSA-N 1 2 221.304 2.018 10 0 BEAELO CCc1cc(N[C@H](C)[C@@H]2CCCO2)nc[nH+]1 ZINC000040765114 350394606 /nfs/dbraw/zinc/39/46/06/350394606.db2.gz VJLWXXVVJOQHQW-KOLCDFICSA-N 1 2 221.304 2.018 10 0 BEAELO Cc1ccc2ncnc(-n3cc[nH+]c3)c2c1 ZINC000032540906 350426592 /nfs/dbraw/zinc/42/65/92/350426592.db2.gz YWIYSPCADHXTKF-UHFFFAOYSA-N 1 2 210.240 2.124 10 0 BEAELO C[NH2+]Cc1noc([C@H]2CCCc3ccccc32)n1 ZINC000054669683 1172132484 /nfs/dbraw/zinc/13/24/84/1172132484.db2.gz OKNIAZYCEASEKX-LBPRGKRZSA-N 1 2 243.310 2.257 10 0 BEAELO O=C(C[NH+]1CCCCC1)c1ccsc1 ZINC000306701721 350850952 /nfs/dbraw/zinc/85/09/52/350850952.db2.gz HDADAVAMHCLJEC-UHFFFAOYSA-N 1 2 209.314 2.417 10 0 BEAELO CC(C)(C)C[C@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000725267917 538099547 /nfs/dbraw/zinc/09/95/47/538099547.db2.gz BYYSOWRDOIFWTN-OLZOCXBDSA-N 1 2 234.343 2.403 10 0 BEAELO C[N@@H+]1CCSC[C@H]1C(=O)CC1(C)CCC1 ZINC000306676638 350828652 /nfs/dbraw/zinc/82/86/52/350828652.db2.gz WQQDPSKERXHTCZ-JTQLQIEISA-N 1 2 227.373 2.183 10 0 BEAELO C[N@H+]1CCSC[C@H]1C(=O)CC1(C)CCC1 ZINC000306676638 350828653 /nfs/dbraw/zinc/82/86/53/350828653.db2.gz WQQDPSKERXHTCZ-JTQLQIEISA-N 1 2 227.373 2.183 10 0 BEAELO Cc1csc([C@@H]2[NH2+]C[C@@H](C)S2)n1 ZINC000159620325 350953194 /nfs/dbraw/zinc/95/31/94/350953194.db2.gz GULUYKCQKQRDBU-RNFRBKRXSA-N 1 2 200.332 2.175 10 0 BEAELO Cc1csc([C@H]2[NH2+]C[C@@H](C)S2)n1 ZINC000159620431 350953458 /nfs/dbraw/zinc/95/34/58/350953458.db2.gz GULUYKCQKQRDBU-RQJHMYQMSA-N 1 2 200.332 2.175 10 0 BEAELO COC(=O)N1CCCCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616621758 351083678 /nfs/dbraw/zinc/08/36/78/351083678.db2.gz OTUCOXIEXXUYOY-NSHDSACASA-N 1 2 249.314 2.178 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616636422 351125304 /nfs/dbraw/zinc/12/53/04/351125304.db2.gz GIVZKSVOMPMTJD-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1cc2ccccc2nn1 ZINC000616636422 351125306 /nfs/dbraw/zinc/12/53/06/351125306.db2.gz GIVZKSVOMPMTJD-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO Brc1c[nH+]ccc1-n1ccnc1 ZINC000159968762 351146194 /nfs/dbraw/zinc/14/61/94/351146194.db2.gz QAEJBFLPFWBLON-UHFFFAOYSA-N 1 2 224.061 2.030 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1cc2ccccc2cn1 ZINC000616641596 351149219 /nfs/dbraw/zinc/14/92/19/351149219.db2.gz KBXZSERACAFSMN-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1cc2ccccc2cn1 ZINC000616641596 351149220 /nfs/dbraw/zinc/14/92/20/351149220.db2.gz KBXZSERACAFSMN-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO c1cc([C@H]2C[N@H+](Cc3ccccc3)CCO2)no1 ZINC000616644065 351160824 /nfs/dbraw/zinc/16/08/24/351160824.db2.gz GAHNFWDNQFWJHW-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO c1cc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)no1 ZINC000616644065 351160828 /nfs/dbraw/zinc/16/08/28/351160828.db2.gz GAHNFWDNQFWJHW-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nn2)CC(C)(C)C1 ZINC000398405298 351137308 /nfs/dbraw/zinc/13/73/08/351137308.db2.gz OSTIKRSZPIKDPV-ZJUUUORDSA-N 1 2 222.336 2.109 10 0 BEAELO C[C@@H]1C[C@H]([NH2+]Cc2cn[nH]n2)CC(C)(C)C1 ZINC000398405298 351137310 /nfs/dbraw/zinc/13/73/10/351137310.db2.gz OSTIKRSZPIKDPV-ZJUUUORDSA-N 1 2 222.336 2.109 10 0 BEAELO CC(=O)N1C[C@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616674622 351239795 /nfs/dbraw/zinc/23/97/95/351239795.db2.gz VUJHCBQTILHNLU-GFCCVEGCSA-N 1 2 241.294 2.103 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1c[nH]nn1 ZINC000616679780 351246382 /nfs/dbraw/zinc/24/63/82/351246382.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@H]1c1c[nH]nn1 ZINC000616679780 351246385 /nfs/dbraw/zinc/24/63/85/351246385.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cn[nH]n1 ZINC000616679780 351246388 /nfs/dbraw/zinc/24/63/88/351246388.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@H]1c1cn[nH]n1 ZINC000616679780 351246390 /nfs/dbraw/zinc/24/63/90/351246390.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cnn[nH]1 ZINC000616679780 351246392 /nfs/dbraw/zinc/24/63/92/351246392.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@H]1c1cnn[nH]1 ZINC000616679780 351246394 /nfs/dbraw/zinc/24/63/94/351246394.db2.gz WYOHSZRXDGUCRY-AWEZNQCLSA-N 1 2 242.326 2.161 10 0 BEAELO C[N@@H+]1CCc2ccccc2[C@H]1c1ccon1 ZINC000616680464 351247467 /nfs/dbraw/zinc/24/74/67/351247467.db2.gz VEMZDVHJFMVFEM-ZDUSSCGKSA-N 1 2 214.268 2.252 10 0 BEAELO C[N@H+]1CCc2ccccc2[C@H]1c1ccon1 ZINC000616680464 351247471 /nfs/dbraw/zinc/24/74/71/351247471.db2.gz VEMZDVHJFMVFEM-ZDUSSCGKSA-N 1 2 214.268 2.252 10 0 BEAELO CN1C[C@@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616681201 351248292 /nfs/dbraw/zinc/24/82/92/351248292.db2.gz NVBROGJZDANLEC-LBPRGKRZSA-N 1 2 240.310 2.097 10 0 BEAELO CC[N@@H+]1CCc2ccccc2[C@@H]1c1conn1 ZINC000616678805 351249408 /nfs/dbraw/zinc/24/94/08/351249408.db2.gz MPPBLWNGPKMWQR-CYBMUJFWSA-N 1 2 229.283 2.037 10 0 BEAELO CC[N@H+]1CCc2ccccc2[C@@H]1c1conn1 ZINC000616678805 351249412 /nfs/dbraw/zinc/24/94/12/351249412.db2.gz MPPBLWNGPKMWQR-CYBMUJFWSA-N 1 2 229.283 2.037 10 0 BEAELO CN1C[C@@H](c2[nH]cc[nH+]2)Nc2ccccc21 ZINC000616681671 351252292 /nfs/dbraw/zinc/25/22/92/351252292.db2.gz SLYBQWZCSAKPMS-JTQLQIEISA-N 1 2 214.272 2.013 10 0 BEAELO CC(=O)N1C[C@@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616689213 351259154 /nfs/dbraw/zinc/25/91/54/351259154.db2.gz AXWFMHOTEVKLTJ-LBPRGKRZSA-N 1 2 241.294 2.103 10 0 BEAELO CC(=O)N1C[C@@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616689213 351259156 /nfs/dbraw/zinc/25/91/56/351259156.db2.gz AXWFMHOTEVKLTJ-LBPRGKRZSA-N 1 2 241.294 2.103 10 0 BEAELO CC(=O)N1C[C@@H](n2cc[nH+]c2)Cc2ccccc21 ZINC000616690437 351259331 /nfs/dbraw/zinc/25/93/31/351259331.db2.gz RTGZYHOLTRXABR-ZDUSSCGKSA-N 1 2 241.294 2.033 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@@H]1c1[nH]cc[nH+]1 ZINC000616668079 351225791 /nfs/dbraw/zinc/22/57/91/351225791.db2.gz GEYVDCRRPGKKPV-CYBMUJFWSA-N 1 2 241.294 2.450 10 0 BEAELO C[NH+](C)CC(=O)c1ccccc1Br ZINC000034989544 351376853 /nfs/dbraw/zinc/37/68/53/351376853.db2.gz CSKMQTUKHQVJBA-UHFFFAOYSA-N 1 2 242.116 2.193 10 0 BEAELO Cc1cc([C@H]2[NH2+]C[C@@H](C)CS2)sn1 ZINC000404439534 351449986 /nfs/dbraw/zinc/44/99/86/351449986.db2.gz IUBFSTJIPUHWGZ-MUWHJKNJSA-N 1 2 214.359 2.423 10 0 BEAELO C[C@@H]1C[NH2+][C@@H](c2ccns2)SC1 ZINC000404443417 351459372 /nfs/dbraw/zinc/45/93/72/351459372.db2.gz LXZRRYZTSKPJMK-HTRCEHHLSA-N 1 2 200.332 2.114 10 0 BEAELO Cc1ncc([C@H]2[NH2+]C[C@H](C)CS2)s1 ZINC000307169443 351544191 /nfs/dbraw/zinc/54/41/91/351544191.db2.gz YFWPMICUMAYIDN-RCOVLWMOSA-N 1 2 214.359 2.423 10 0 BEAELO Clc1ncc2c(n1)[C@@H]1CCCC[N@H+]1C2 ZINC000307170097 351544968 /nfs/dbraw/zinc/54/49/68/351544968.db2.gz ZWECRTITCGKLHL-QMMMGPOBSA-N 1 2 209.680 2.171 10 0 BEAELO Clc1ncc2c(n1)[C@@H]1CCCC[N@@H+]1C2 ZINC000307170097 351544971 /nfs/dbraw/zinc/54/49/71/351544971.db2.gz ZWECRTITCGKLHL-QMMMGPOBSA-N 1 2 209.680 2.171 10 0 BEAELO N[NH2+][C@H](C1CC(F)(F)C1)C1CCCC1 ZINC000307237545 351726790 /nfs/dbraw/zinc/72/67/90/351726790.db2.gz GTLQPFVGGPTJOK-VIFPVBQESA-N 1 2 204.264 2.054 10 0 BEAELO COC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000037303156 358471734 /nfs/dbraw/zinc/47/17/34/358471734.db2.gz HXQWGGDBTSBVOT-MNOVXSKESA-N 1 2 221.300 2.207 10 0 BEAELO Cc1nc([C@H]2[NH2+][C@H](C)CS2)cs1 ZINC000126784685 353255325 /nfs/dbraw/zinc/25/53/25/353255325.db2.gz GPEOUHPGPHCAIZ-XRGYYRRGSA-N 1 2 200.332 2.175 10 0 BEAELO Cc1cc(N)nc(-c2ccc(F)cc2)[nH+]1 ZINC000050845058 188329444 /nfs/dbraw/zinc/32/94/44/188329444.db2.gz WYNZGHJGCSCFRU-UHFFFAOYSA-N 1 2 203.220 2.173 10 0 BEAELO CNc1[nH+]cccc1CSc1nncs1 ZINC000052756157 188334108 /nfs/dbraw/zinc/33/41/08/188334108.db2.gz UNPMGPWTLUEROV-UHFFFAOYSA-N 1 2 238.341 2.267 10 0 BEAELO Brc1ccc([C@H]2[NH2+]CCS2)nc1 ZINC000130050584 357163445 /nfs/dbraw/zinc/16/34/45/357163445.db2.gz YNXRBQUZQUXJEK-QMMMGPOBSA-N 1 2 245.145 2.179 10 0 BEAELO [NH3+][C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000038888537 358207126 /nfs/dbraw/zinc/20/71/26/358207126.db2.gz VNBZYMVEHPBBJM-AWEZNQCLSA-N 1 2 241.290 2.430 10 0 BEAELO COCCn1c[nH+]cc1-c1ccccc1 ZINC000584613432 358277438 /nfs/dbraw/zinc/27/74/38/358277438.db2.gz FBECSDQRKKSNHA-UHFFFAOYSA-N 1 2 202.257 2.197 10 0 BEAELO CC[C@H](Cc1ccc(OC)cc1)[NH+]1CC1 ZINC000584591756 358250602 /nfs/dbraw/zinc/25/06/02/358250602.db2.gz IKZAHSJCNIWPQP-GFCCVEGCSA-N 1 2 205.301 2.332 10 0 BEAELO COc1cc2c(cc1OC)C[C@@H](C1CC1)[NH+]=C2 ZINC000584606407 358265966 /nfs/dbraw/zinc/26/59/66/358265966.db2.gz NLUFHWDDSZWSSA-LBPRGKRZSA-N 1 2 231.295 2.457 10 0 BEAELO CCOC(=O)/C=C/C=C/CCCn1cc[nH+]c1 ZINC000584623899 358291886 /nfs/dbraw/zinc/29/18/86/358291886.db2.gz CUEIDFDVILUTIW-PBOULFJWSA-N 1 2 234.299 2.339 10 0 BEAELO Cc1cn2cc(N)cc(C(F)(F)F)c2[nH+]1 ZINC000584646753 358331845 /nfs/dbraw/zinc/33/18/45/358331845.db2.gz ZNERMPTVJPQJBQ-UHFFFAOYSA-N 1 2 215.178 2.244 10 0 BEAELO COC(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000042307553 358520507 /nfs/dbraw/zinc/52/05/07/358520507.db2.gz HXQWGGDBTSBVOT-GHMZBOCLSA-N 1 2 221.300 2.207 10 0 BEAELO O[C@@H]1CCCC[C@H]1n1cc[nH+]c1-c1cccnc1 ZINC000212706230 358620249 /nfs/dbraw/zinc/62/02/49/358620249.db2.gz UYNWCLHQHVODTM-CHWSQXEVSA-N 1 2 243.310 2.421 10 0 BEAELO Cc1nc(N[C@H]2COc3ccccc32)cc[nH+]1 ZINC000070530198 359058330 /nfs/dbraw/zinc/05/83/30/359058330.db2.gz ZREPLWDFTPDTJF-NSHDSACASA-N 1 2 227.267 2.331 10 0 BEAELO C[C@H]1C[N@H+](Cc2cnc(Cl)cn2)CCS1 ZINC000231284567 359694473 /nfs/dbraw/zinc/69/44/73/359694473.db2.gz NXRQYCLLULFCGA-QMMMGPOBSA-N 1 2 243.763 2.067 10 0 BEAELO C[C@H]1C[N@@H+](Cc2cnc(Cl)cn2)CCS1 ZINC000231284567 359694475 /nfs/dbraw/zinc/69/44/75/359694475.db2.gz NXRQYCLLULFCGA-QMMMGPOBSA-N 1 2 243.763 2.067 10 0 BEAELO C[NH2+][C@@]1(C(F)F)CCCc2occc21 ZINC000169278511 360046227 /nfs/dbraw/zinc/04/62/27/360046227.db2.gz RPMIKXOUKYDZAX-JTQLQIEISA-N 1 2 201.216 2.296 10 0 BEAELO Cc1cnc([C@@H]2[NH2+]C[C@@H](C)S2)s1 ZINC000306547335 360416291 /nfs/dbraw/zinc/41/62/91/360416291.db2.gz CCYFFBHPRNDAAZ-HTRCEHHLSA-N 1 2 200.332 2.175 10 0 BEAELO C[C@H](NC1=[NH+][C@@H](C)CCS1)C(F)(F)F ZINC000306559589 360434039 /nfs/dbraw/zinc/43/40/39/360434039.db2.gz QQXDYRCOPHWKIC-WDSKDSINSA-N 1 2 226.267 2.408 10 0 BEAELO [NH3+][C@H](c1ncon1)c1cccc(C(F)(F)F)c1 ZINC000036762054 361397868 /nfs/dbraw/zinc/39/78/68/361397868.db2.gz LUWPSGCEORCLKL-QMMMGPOBSA-N 1 2 243.188 2.137 10 0 BEAELO C[C@H]1CCC[C@@H](CC[N@@H+]2CCC(=O)C2)C1 ZINC000070532645 361531721 /nfs/dbraw/zinc/53/17/21/361531721.db2.gz MYQNFOKMYVROSQ-RYUDHWBXSA-N 1 2 209.333 2.478 10 0 BEAELO C[C@H]1CCC[C@@H](CC[N@H+]2CCC(=O)C2)C1 ZINC000070532645 361531726 /nfs/dbraw/zinc/53/17/26/361531726.db2.gz MYQNFOKMYVROSQ-RYUDHWBXSA-N 1 2 209.333 2.478 10 0 BEAELO [NH3+]CC[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000038030852 181397635 /nfs/dbraw/zinc/39/76/35/181397635.db2.gz GUQLLIATHJPTIM-UHFFFAOYSA-N 1 2 232.352 2.463 10 0 BEAELO CC[C@@H](C)[C@H]([NH3+])c1n[nH]c(C2CCC2)n1 ZINC000675060560 541464257 /nfs/dbraw/zinc/46/42/57/541464257.db2.gz IZHSMQHCNSEJSC-APPZFPTMSA-N 1 2 208.309 2.118 10 0 BEAELO CCCOc1cc2c(cc1OC)CC[NH+]=C2 ZINC000230490568 368369876 /nfs/dbraw/zinc/36/98/76/368369876.db2.gz RGJQDCJRMZQJHC-UHFFFAOYSA-N 1 2 219.284 2.459 10 0 BEAELO CC(C)Oc1cc(-n2cc[nH+]c2)ccc1NC=O ZINC000616220660 369064066 /nfs/dbraw/zinc/06/40/66/369064066.db2.gz KFWWJOMEAQTLHC-UHFFFAOYSA-N 1 2 245.282 2.228 10 0 BEAELO Cc1nc([C@H]([NH3+])c2nccs2)sc1C ZINC000161499988 369121090 /nfs/dbraw/zinc/12/10/90/369121090.db2.gz ZAPNJDZMQNARIJ-SSDOTTSWSA-N 1 2 225.342 2.265 10 0 BEAELO CCc1cc(NC[C@@H]2CCCC[C@@H]2O)nc[nH+]1 ZINC000077208386 370399508 /nfs/dbraw/zinc/39/95/08/370399508.db2.gz OTRAHNYFALYSBI-JQWIXIFHSA-N 1 2 235.331 2.002 10 0 BEAELO CC[C@H]1CS[C@H](c2nccs2)[NH2+]1 ZINC000161614064 370605046 /nfs/dbraw/zinc/60/50/46/370605046.db2.gz PQLBZDSSTTXUDA-POYBYMJQSA-N 1 2 200.332 2.257 10 0 BEAELO CCNC(=[NH2+])c1cc(Br)ccc1O ZINC000306216580 371999636 /nfs/dbraw/zinc/99/96/36/371999636.db2.gz POTXQWJEZLHFPA-UHFFFAOYSA-N 1 2 243.104 2.090 10 0 BEAELO CC(C)(C)[NH2+]CC(F)(F)Br ZINC000306301492 372009642 /nfs/dbraw/zinc/00/96/42/372009642.db2.gz WMLSEAYYAVXOJD-UHFFFAOYSA-N 1 2 216.069 2.362 10 0 BEAELO C[C@@H]1C[C@@H](C)[NH+]1Cc1cc(Br)no1 ZINC000307622782 372133116 /nfs/dbraw/zinc/13/31/16/372133116.db2.gz HDAJTJTUKYQQHA-RNFRBKRXSA-N 1 2 245.120 2.420 10 0 BEAELO O=C(Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000037340517 182070512 /nfs/dbraw/zinc/07/05/12/182070512.db2.gz GPWSYLSQKVUENC-UHFFFAOYSA-N 1 2 226.688 2.481 10 0 BEAELO CC[C@]1(C)CSC(NCC(F)(F)F)=[NH+]1 ZINC000070890257 374224630 /nfs/dbraw/zinc/22/46/30/374224630.db2.gz DYGRSMMGLDCRAE-SSDOTTSWSA-N 1 2 226.267 2.410 10 0 BEAELO O=c1ccc2ccc(Cn3cc[nH+]c3)cc2o1 ZINC000013586720 183000659 /nfs/dbraw/zinc/00/06/59/183000659.db2.gz HXFIMHPPOABVMO-UHFFFAOYSA-N 1 2 226.235 2.038 10 0 in-vivo BEAELO OC1(CNc2cc[nH+]c(C3CC3)n2)CCCC1 ZINC000112553428 183021724 /nfs/dbraw/zinc/02/17/24/183021724.db2.gz XMSJDRDZIQKNLY-UHFFFAOYSA-N 1 2 233.315 2.071 10 0 BEAELO OCCC1(CNc2cccc[nH+]2)CCC1 ZINC000132635757 183041903 /nfs/dbraw/zinc/04/19/03/183041903.db2.gz HCULEHOSGISMLY-UHFFFAOYSA-N 1 2 206.289 2.046 10 0 BEAELO COC(=O)[C@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000220976093 134314840 /nfs/dbraw/zinc/31/48/40/134314840.db2.gz JDXROVMABFNWOC-LDYMZIIASA-N 1 2 239.340 2.350 10 0 BEAELO CCCCc1[nH+]ccn1-c1ncccc1N ZINC000085343099 169027112 /nfs/dbraw/zinc/02/71/12/169027112.db2.gz OQKUEQTVUMLCLR-UHFFFAOYSA-N 1 2 216.288 2.192 10 0 BEAELO O[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000021994626 183214947 /nfs/dbraw/zinc/21/49/47/183214947.db2.gz NXZFGPQSDCEZFS-CHWSQXEVSA-N 1 2 214.268 2.104 10 0 BEAELO O[C@H]1CCCC[C@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000112554870 183234493 /nfs/dbraw/zinc/23/44/93/183234493.db2.gz VHZWUVRBEDKISB-MNOVXSKESA-N 1 2 233.315 2.069 10 0 BEAELO c1c[nH+]c(CN2CCO[C@@H](c3ccsc3)C2)[nH]1 ZINC000126196417 183324694 /nfs/dbraw/zinc/32/46/94/183324694.db2.gz AZUSQNRPYOKSPN-LLVKDONJSA-N 1 2 249.339 2.045 10 0 BEAELO S=C(Nc1ccc2[nH]c[nH+]c2c1)N1CCCC1 ZINC000089195176 183311617 /nfs/dbraw/zinc/31/16/17/183311617.db2.gz GOBHMBXZFQXBLT-UHFFFAOYSA-N 1 2 246.339 2.356 10 0 BEAELO c1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)nc(C2CC2)[nH+]1 ZINC000133457744 183358609 /nfs/dbraw/zinc/35/86/09/183358609.db2.gz FWDCKYKUVJLPBP-MXWKQRLJSA-N 1 2 231.299 2.086 10 0 BEAELO c1c[nH+]c(CNc2cccc3c2OCCC3)[nH]1 ZINC000374573614 183365406 /nfs/dbraw/zinc/36/54/06/183365406.db2.gz CLVFZTMNMNRUII-UHFFFAOYSA-N 1 2 229.283 2.347 10 0 BEAELO CC[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000035100456 383827539 /nfs/dbraw/zinc/82/75/39/383827539.db2.gz OEHJJNUSNLTIRM-LLVKDONJSA-N 1 2 216.284 2.418 10 0 BEAELO Cc1csc(C[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000088595519 383914565 /nfs/dbraw/zinc/91/45/65/383914565.db2.gz IUYZTACIVCBPPU-VIFPVBQESA-N 1 2 228.386 2.389 10 0 BEAELO Cc1csc(C[N@H+]2CCS[C@@H](C)C2)n1 ZINC000088595519 383914572 /nfs/dbraw/zinc/91/45/72/383914572.db2.gz IUYZTACIVCBPPU-VIFPVBQESA-N 1 2 228.386 2.389 10 0 BEAELO CC[C@H](C)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334243 383915193 /nfs/dbraw/zinc/91/51/93/383915193.db2.gz WNKYJGRBWSJRJU-GXSJLCMTSA-N 1 2 235.331 2.173 10 0 BEAELO O=C(Nc1[nH+]ccc2[nH]ccc21)c1ccccc1 ZINC000089220723 383949926 /nfs/dbraw/zinc/94/99/26/383949926.db2.gz KBCRJDJJBKLLHZ-UHFFFAOYSA-N 1 2 237.262 2.237 10 0 BEAELO COC[C@@H]([NH3+])c1nc(C2CCCCCC2)no1 ZINC000159353689 384004144 /nfs/dbraw/zinc/00/41/44/384004144.db2.gz PKQDVCAARHBPGP-SNVBAGLBSA-N 1 2 239.319 2.154 10 0 BEAELO Nc1cc(Cl)ccc1Cn1cc[nH+]c1 ZINC000050443294 384043134 /nfs/dbraw/zinc/04/31/34/384043134.db2.gz ZLSMAYMPAJINFM-UHFFFAOYSA-N 1 2 207.664 2.167 10 0 BEAELO C[C@@H]([NH2+]Cc1ccccn1)c1nccs1 ZINC000070621419 384123801 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232.287 2.125 10 0 BEAELO c1nc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)co1 ZINC000191943419 385334663 /nfs/dbraw/zinc/33/46/63/385334663.db2.gz ORXYZMNDFLRQPR-GFCCVEGCSA-N 1 2 232.287 2.125 10 0 BEAELO CC(C)n1ccc(C[N@@H+]2CCS[C@@H](C)C2)n1 ZINC000172013947 385541482 /nfs/dbraw/zinc/54/14/82/385541482.db2.gz HHBADIVWJXRFHZ-NSHDSACASA-N 1 2 239.388 2.401 10 0 BEAELO CC(C)n1ccc(C[N@H+]2CCS[C@@H](C)C2)n1 ZINC000172013947 385541484 /nfs/dbraw/zinc/54/14/84/385541484.db2.gz HHBADIVWJXRFHZ-NSHDSACASA-N 1 2 239.388 2.401 10 0 BEAELO FC(F)(F)c1c[nH+]c(NCc2cscn2)[nH]1 ZINC000283729360 385745994 /nfs/dbraw/zinc/74/59/94/385745994.db2.gz CBBCFOGTXVZGTK-UHFFFAOYSA-N 1 2 248.233 2.497 10 0 BEAELO COc1c(CNc2ccc(C)[nH+]c2)c(C)nn1C ZINC000128042214 385946308 /nfs/dbraw/zinc/94/63/08/385946308.db2.gz CCJUDILHWMXYOW-UHFFFAOYSA-N 1 2 246.314 2.053 10 0 BEAELO Nc1[nH+]cc(Br)c2c1CCCC2 ZINC000263618047 386154657 /nfs/dbraw/zinc/15/46/57/386154657.db2.gz QZTPSDMYQGRZGI-UHFFFAOYSA-N 1 2 227.105 2.305 10 0 BEAELO 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COC(=O)C[N@@H+]1CC=C(c2cccs2)CC1 ZINC000118006017 387549855 /nfs/dbraw/zinc/54/98/55/387549855.db2.gz SORSFILJNNFQRQ-UHFFFAOYSA-N 1 2 237.324 2.010 10 0 BEAELO CC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000125013003 387641081 /nfs/dbraw/zinc/64/10/81/387641081.db2.gz ZJCFJUDGJPTMSR-CQSZACIVSA-N 1 2 233.311 2.039 10 0 BEAELO CC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000125013003 387641089 /nfs/dbraw/zinc/64/10/89/387641089.db2.gz ZJCFJUDGJPTMSR-CQSZACIVSA-N 1 2 233.311 2.039 10 0 BEAELO C[C@H]1CS[C@H](c2ccncc2Cl)[NH2+]1 ZINC000575557451 387699847 /nfs/dbraw/zinc/69/98/47/387699847.db2.gz UOQOFEGMZFVVKM-IMTBSYHQSA-N 1 2 214.721 2.459 10 0 BEAELO CCn1nccc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245540919 387953761 /nfs/dbraw/zinc/95/37/61/387953761.db2.gz NIGLPWNAPSCJRQ-ZIAGYGMSSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1nccc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000245540919 387953764 /nfs/dbraw/zinc/95/37/64/387953764.db2.gz NIGLPWNAPSCJRQ-ZIAGYGMSSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1cc[nH+]c1CSCc1ccon1 ZINC000083633845 388056677 /nfs/dbraw/zinc/05/66/77/388056677.db2.gz AFUXHUYKRHXJJP-UHFFFAOYSA-N 1 2 223.301 2.324 10 0 BEAELO Clc1cccnc1NCc1[nH]cc[nH+]1 ZINC000070646559 388161519 /nfs/dbraw/zinc/16/15/19/388161519.db2.gz JWZIHSGEYBGNFK-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO CCC[C@H]1C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000233448005 388346831 /nfs/dbraw/zinc/34/68/31/388346831.db2.gz YEIQNCNOAISTEW-BQBZGAKWSA-N 1 2 226.711 2.313 10 0 BEAELO CCC[C@H]1C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000233448005 388346833 /nfs/dbraw/zinc/34/68/33/388346833.db2.gz YEIQNCNOAISTEW-BQBZGAKWSA-N 1 2 226.711 2.313 10 0 BEAELO COC(=O)[C@H]([NH2+]Cc1ccccc1)C(C)(C)C ZINC000041121201 388432096 /nfs/dbraw/zinc/43/20/96/388432096.db2.gz MOGFCNWFZDTSOT-LBPRGKRZSA-N 1 2 235.327 2.364 10 0 BEAELO CC(C)C1([NH2+][C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000339519868 388485462 /nfs/dbraw/zinc/48/54/62/388485462.db2.gz VBLJHSSCSSUOEY-JTQLQIEISA-N 1 2 227.348 2.495 10 0 BEAELO C[C@@H]([NH2+]Cc1cscn1)c1cncs1 ZINC000127320451 388720130 /nfs/dbraw/zinc/72/01/30/388720130.db2.gz ILZDIWCRXYBELA-SSDOTTSWSA-N 1 2 225.342 2.450 10 0 BEAELO Cc1[nH+]c(C(C)C)nc(N2CCC(=O)CC2)c1C ZINC000045951190 132299505 /nfs/dbraw/zinc/29/95/05/132299505.db2.gz QQRLUPGKYZJJTL-UHFFFAOYSA-N 1 2 247.342 2.386 10 0 BEAELO CC(C)OCCN1CCCc2cc([NH3+])ccc21 ZINC000049259828 132355866 /nfs/dbraw/zinc/35/58/66/132355866.db2.gz POXREEPKVKLBGU-UHFFFAOYSA-N 1 2 234.343 2.446 10 0 BEAELO C[C@H](c1cccnc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000219738023 134290709 /nfs/dbraw/zinc/29/07/09/134290709.db2.gz RYARLZWOMNSDHU-WDEREUQCSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@H](c1cccnc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000219738023 134290710 /nfs/dbraw/zinc/29/07/10/134290710.db2.gz RYARLZWOMNSDHU-WDEREUQCSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358255 134308706 /nfs/dbraw/zinc/30/87/06/134308706.db2.gz PJRCCJMNJZDAKC-KOLCDFICSA-N 1 2 232.287 2.057 10 0 BEAELO COc1cccc(C[NH2+][C@@H](C)c2ncc(C)o2)n1 ZINC000220930964 134314976 /nfs/dbraw/zinc/31/49/76/134314976.db2.gz NMGILDJWGYOALV-JTQLQIEISA-N 1 2 247.298 2.237 10 0 BEAELO COc1cccc(C[NH2+][C@H](C)c2ncc(C)o2)n1 ZINC000220931027 134315112 /nfs/dbraw/zinc/31/51/12/134315112.db2.gz NMGILDJWGYOALV-SNVBAGLBSA-N 1 2 247.298 2.237 10 0 BEAELO C[NH2+]Cc1noc([C@H]2CCCC(F)(F)C2)n1 ZINC000261533083 135164328 /nfs/dbraw/zinc/16/43/28/135164328.db2.gz IZMPELJYTZFNOB-ZETCQYMHSA-N 1 2 231.246 2.082 10 0 BEAELO c1csc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000269681371 135166307 /nfs/dbraw/zinc/16/63/07/135166307.db2.gz TXDRZVSTRHMXGQ-MNOVXSKESA-N 1 2 238.356 2.287 10 0 BEAELO c1csc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)n1 ZINC000269681371 135166308 /nfs/dbraw/zinc/16/63/08/135166308.db2.gz TXDRZVSTRHMXGQ-MNOVXSKESA-N 1 2 238.356 2.287 10 0 BEAELO C[C@H](CC1CC1)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000081724060 135388419 /nfs/dbraw/zinc/38/84/19/135388419.db2.gz SGHLAPXHVKKPFL-ZYHUDNBSSA-N 1 2 247.342 2.065 10 0 BEAELO C[C@H](CC1CC1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000081724063 135388931 /nfs/dbraw/zinc/38/89/31/135388931.db2.gz SGHLAPXHVKKPFL-PWSUYJOCSA-N 1 2 247.342 2.065 10 0 BEAELO O=C(Nc1ccsc1)[C@@H]1CCCn2cc[nH+]c21 ZINC000081757259 135389431 /nfs/dbraw/zinc/38/94/31/135389431.db2.gz WMIKBISQYQBGQA-SNVBAGLBSA-N 1 2 247.323 2.461 10 0 BEAELO CC[C@H](C)[C@H](O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000179273961 397852226 /nfs/dbraw/zinc/85/22/26/397852226.db2.gz LJPDAQDTFMAPKT-UFBFGSQYSA-N 1 2 236.315 2.044 10 0 BEAELO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CC(C)(C)O1 ZINC000110289797 397903346 /nfs/dbraw/zinc/90/33/46/397903346.db2.gz IVZUHONSDVNJFR-JTQLQIEISA-N 1 2 247.342 2.358 10 0 BEAELO Cc1nnc(C[N@@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000051709645 398056981 /nfs/dbraw/zinc/05/69/81/398056981.db2.gz NDPDJANJJGPJAQ-NSHDSACASA-N 1 2 244.342 2.317 10 0 BEAELO Cc1nnc(C[N@H+](C)[C@@H](C)c2ccccc2)n1C ZINC000051709645 398056982 /nfs/dbraw/zinc/05/69/82/398056982.db2.gz NDPDJANJJGPJAQ-NSHDSACASA-N 1 2 244.342 2.317 10 0 BEAELO CC(=O)C[N@@H+]1CCC2=Cc3ccccc3[C@H]2C1 ZINC000142028265 410520169 /nfs/dbraw/zinc/52/01/69/410520169.db2.gz RXGJGHYDSPLJQC-HNNXBMFYSA-N 1 2 227.307 2.462 10 0 BEAELO CC(=O)C[N@H+]1CCC2=Cc3ccccc3[C@H]2C1 ZINC000142028265 410520174 /nfs/dbraw/zinc/52/01/74/410520174.db2.gz RXGJGHYDSPLJQC-HNNXBMFYSA-N 1 2 227.307 2.462 10 0 BEAELO CC(C)Oc1ncccc1NCc1[nH+]ccn1C ZINC000042392470 167314590 /nfs/dbraw/zinc/31/45/90/167314590.db2.gz DMYUCGIWFICWCU-UHFFFAOYSA-N 1 2 246.314 2.214 10 0 BEAELO CC(C)c1cc(N)nc(C2CCOCC2)[nH+]1 ZINC000052177337 167572978 /nfs/dbraw/zinc/57/29/78/167572978.db2.gz QDNVHJBHJBKVPU-UHFFFAOYSA-N 1 2 221.304 2.076 10 0 BEAELO CCC(C)(C)NC(=O)C[NH+]1Cc2ccccc2C1 ZINC000106305682 168289954 /nfs/dbraw/zinc/28/99/54/168289954.db2.gz NZWZTLOHAUDORY-UHFFFAOYSA-N 1 2 246.354 2.307 10 0 BEAELO CC[NH2+][C@](C)(C(=O)OC)c1ccc(C)c(C)c1 ZINC000037446820 170170856 /nfs/dbraw/zinc/17/08/56/170170856.db2.gz SYDBVFOHTQDQOA-AWEZNQCLSA-N 1 2 235.327 2.301 10 0 BEAELO CCNc1cc(C[N@@H+]2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000052720719 170172436 /nfs/dbraw/zinc/17/24/36/170172436.db2.gz BXCYYTGETXVFPR-RYUDHWBXSA-N 1 2 249.358 2.123 10 0 BEAELO CCNc1cc(C[N@H+]2C[C@H](C)OC[C@@H]2C)ccn1 ZINC000052720719 170172437 /nfs/dbraw/zinc/17/24/37/170172437.db2.gz BXCYYTGETXVFPR-RYUDHWBXSA-N 1 2 249.358 2.123 10 0 BEAELO CCNc1[nH+]cccc1Cn1cc(C)cn1 ZINC000052733520 170177931 /nfs/dbraw/zinc/17/79/31/170177931.db2.gz ICYSYUHXSYHDBX-UHFFFAOYSA-N 1 2 216.288 2.067 10 0 BEAELO CCOC(=O)[C@H](C)[NH2+]Cc1c[nH]c2ccccc12 ZINC000051754345 170268364 /nfs/dbraw/zinc/26/83/64/170268364.db2.gz TZEIZYUUOYCVCG-JTQLQIEISA-N 1 2 246.310 2.209 10 0 BEAELO CCOC(=O)[C@](C)([NH3+])c1ccc(F)c(Cl)c1 ZINC000037459973 170283523 /nfs/dbraw/zinc/28/35/23/170283523.db2.gz TUASHJKEZMZDQX-LLVKDONJSA-N 1 2 245.681 2.216 10 0 BEAELO CCOC1CC(Nc2c[nH+]ccc2C)C1 ZINC000163724024 170330473 /nfs/dbraw/zinc/33/04/73/170330473.db2.gz JGYLAGSXIDVAPA-UHFFFAOYSA-N 1 2 206.289 2.369 10 0 BEAELO CC[C@H](C)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334248 171378016 /nfs/dbraw/zinc/37/80/16/171378016.db2.gz WNKYJGRBWSJRJU-ONGXEEELSA-N 1 2 235.331 2.173 10 0 BEAELO CCc1nc(N)c(-c2ccccc2F)c[nH+]1 ZINC000061675420 172015057 /nfs/dbraw/zinc/01/50/57/172015057.db2.gz SNWDKPCRDXOYPI-UHFFFAOYSA-N 1 2 217.247 2.427 10 0 BEAELO CCc1sc(C)nc1Cc1c[nH]c[nH+]1 ZINC000013802728 172129219 /nfs/dbraw/zinc/12/92/19/172129219.db2.gz BOJDKCWPTLYPDI-UHFFFAOYSA-N 1 2 207.302 2.328 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@@H]1CCC[C@H](C)C1 ZINC000061172128 173319195 /nfs/dbraw/zinc/31/91/95/173319195.db2.gz WMWFMPFAMFQQKO-VHSXEESVSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]Cc1nc(C)c(-c2ccc(F)cc2)[nH]1 ZINC000036877249 173395641 /nfs/dbraw/zinc/39/56/41/173395641.db2.gz XFLXSECCSWWGQL-UHFFFAOYSA-N 1 2 219.263 2.244 10 0 BEAELO COc1cc([NH2+]CC[C@H]2CCCO2)ccc1N ZINC000104248015 175002343 /nfs/dbraw/zinc/00/23/43/175002343.db2.gz SNUPHDFGAWPWQE-LLVKDONJSA-N 1 2 236.315 2.258 10 0 BEAELO COc1ccc(C(=O)C[NH+](C)C)cc1Cl ZINC000037333616 175053660 /nfs/dbraw/zinc/05/36/60/175053660.db2.gz HZGKSTWPDCBKJY-UHFFFAOYSA-N 1 2 227.691 2.093 10 0 BEAELO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ncccn1 ZINC000055222776 175122170 /nfs/dbraw/zinc/12/21/70/175122170.db2.gz CUTKNIVCOGMDMI-LLVKDONJSA-N 1 2 249.701 2.187 10 0 BEAELO COc1ccc(NCc2c[nH+]c(C)[nH]2)cc1F ZINC000054821614 175151237 /nfs/dbraw/zinc/15/12/37/175151237.db2.gz BDOBCYODFOCXIZ-UHFFFAOYSA-N 1 2 235.262 2.478 10 0 BEAELO COc1ccc(NCc2c[nH]c(C)[nH+]2)cc1F ZINC000054821614 175151238 /nfs/dbraw/zinc/15/12/38/175151238.db2.gz BDOBCYODFOCXIZ-UHFFFAOYSA-N 1 2 235.262 2.478 10 0 BEAELO COc1ccc([NH2+]C[C@@H]2CCOC2)c(OC)c1 ZINC000019903459 175151364 /nfs/dbraw/zinc/15/13/64/175151364.db2.gz WHQDUNCCOZMUSM-JTQLQIEISA-N 1 2 237.299 2.152 10 0 BEAELO COc1ccc2c(c1)[C@@H](O)[C@@H](n1cc[nH+]c1)CC2 ZINC000027327121 175214552 /nfs/dbraw/zinc/21/45/52/175214552.db2.gz VVFFIGADLXLSFZ-UONOGXRCSA-N 1 2 244.294 2.113 10 0 BEAELO COc1ccc2c(c1)[C@H](O)[C@@H](n1cc[nH+]c1)CC2 ZINC000027327112 175217065 /nfs/dbraw/zinc/21/70/65/175217065.db2.gz VVFFIGADLXLSFZ-KBPBESRZSA-N 1 2 244.294 2.113 10 0 BEAELO COc1cccc2c1C=C(n1cc[nH+]c1)C2 ZINC000021994665 175301131 /nfs/dbraw/zinc/30/11/31/175301131.db2.gz WMDIHHJAYYKRLL-UHFFFAOYSA-N 1 2 212.252 2.446 10 0 BEAELO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cc[nH]n1 ZINC000037906730 175919910 /nfs/dbraw/zinc/91/99/10/175919910.db2.gz JMWRMSSUGQAXAT-NXEZZACHSA-N 1 2 216.288 2.217 10 0 BEAELO C[C@@H]1CCCC[C@]1(C[NH3+])[N@H+](C)Cc1cccnc1 ZINC000036770988 176090454 /nfs/dbraw/zinc/09/04/54/176090454.db2.gz SOCLIGCQEAXWNE-UKRRQHHQSA-N 1 2 247.386 2.421 10 0 BEAELO C[C@@H]1CCCC[C@]1(C[NH3+])[N@@H+](C)Cc1cccnc1 ZINC000036770988 176090455 /nfs/dbraw/zinc/09/04/55/176090455.db2.gz SOCLIGCQEAXWNE-UKRRQHHQSA-N 1 2 247.386 2.421 10 0 BEAELO C[C@@H]1CCN(C(=O)[C@H]2CCCn3cc[nH+]c32)[C@@H]1C ZINC000246941728 176161563 /nfs/dbraw/zinc/16/15/63/176161563.db2.gz OVPULGGFTWQNDX-UTUOFQBUSA-N 1 2 247.342 2.017 10 0 BEAELO C[C@@H]1C[N@H+](Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072093 176302870 /nfs/dbraw/zinc/30/28/70/176302870.db2.gz CQRLSMJMTJWZSZ-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072093 176302871 /nfs/dbraw/zinc/30/28/71/176302871.db2.gz CQRLSMJMTJWZSZ-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1COCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000035773468 176337226 /nfs/dbraw/zinc/33/72/26/176337226.db2.gz NSDSMZNXKHVHQN-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1COCC[N@H+]1Cc1cc(N)ccc1Cl ZINC000035773468 176337228 /nfs/dbraw/zinc/33/72/28/176337228.db2.gz NSDSMZNXKHVHQN-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1CC(=O)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068592977 177062925 /nfs/dbraw/zinc/06/29/25/177062925.db2.gz FABAJOBMSRCVJN-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1CC(=O)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068592977 177062926 /nfs/dbraw/zinc/06/29/26/177062926.db2.gz FABAJOBMSRCVJN-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C[C@H](C)C(=O)C[N@@H+]1Cc1ccccc1 ZINC000068592972 177319236 /nfs/dbraw/zinc/31/92/36/177319236.db2.gz LLKQSLKJBCYCMG-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C[C@H](C)C(=O)C[N@H+]1Cc1ccccc1 ZINC000068592972 177319238 /nfs/dbraw/zinc/31/92/38/177319238.db2.gz LLKQSLKJBCYCMG-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1C[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301830064 177350976 /nfs/dbraw/zinc/35/09/76/177350976.db2.gz PMDLKCHAKLXUHK-WPRPVWTQSA-N 1 2 218.304 2.119 10 0 BEAELO C[C@H]1C[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301830064 177350977 /nfs/dbraw/zinc/35/09/77/177350977.db2.gz PMDLKCHAKLXUHK-WPRPVWTQSA-N 1 2 218.304 2.119 10 0 BEAELO O=c1cc2c(n[nH]1)C[N@H+](Cc1ccccc1)C2 ZINC000307600191 229217077 /nfs/dbraw/zinc/21/70/77/229217077.db2.gz QSXNVWQNNYUZPW-UHFFFAOYSA-N 1 2 227.267 2.139 10 0 BEAELO O=c1cc2c(n[nH]1)C[N@@H+](Cc1ccccc1)C2 ZINC000307600191 229217080 /nfs/dbraw/zinc/21/70/80/229217080.db2.gz QSXNVWQNNYUZPW-UHFFFAOYSA-N 1 2 227.267 2.139 10 0 BEAELO CC(C)NC(=O)CNc1ccc2ccccc2[nH+]1 ZINC000035137336 262840001 /nfs/dbraw/zinc/84/00/01/262840001.db2.gz FCRIQMCWVGWARR-UHFFFAOYSA-N 1 2 243.310 2.171 10 0 BEAELO CC(C)c1nn(C)cc1N[C@H](C)c1[nH+]ccn1C ZINC000302197380 487774606 /nfs/dbraw/zinc/77/46/06/487774606.db2.gz SRRKOBOVKCGICS-SNVBAGLBSA-N 1 2 247.346 2.450 10 0 BEAELO C[C@@H]1C[C@@H](O)CN(c2[nH+]ccc3ccccc32)C1 ZINC000401530735 323080213 /nfs/dbraw/zinc/08/02/13/323080213.db2.gz HZBJNBMXQHYEFQ-DGCLKSJQSA-N 1 2 242.322 2.442 10 0 BEAELO Cc1oncc1C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000181670572 323375440 /nfs/dbraw/zinc/37/54/40/323375440.db2.gz QZDJSDOPPPTINO-UHFFFAOYSA-N 1 2 246.314 2.086 10 0 BEAELO O[C@H]1CCC[C@@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000405109380 487474780 /nfs/dbraw/zinc/47/47/80/487474780.db2.gz MPEADNOAJCNXAJ-MNOVXSKESA-N 1 2 233.302 2.269 10 0 BEAELO O[C@H]1CCC[C@@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000405109380 487474783 /nfs/dbraw/zinc/47/47/83/487474783.db2.gz MPEADNOAJCNXAJ-MNOVXSKESA-N 1 2 233.302 2.269 10 0 BEAELO Cc1c[nH+]cc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667912385 488154684 /nfs/dbraw/zinc/15/46/84/488154684.db2.gz HDTOJHBGWLIBOU-QWHCGFSZSA-N 1 2 218.300 2.369 10 0 BEAELO CCCCCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220588037 490618617 /nfs/dbraw/zinc/61/86/17/490618617.db2.gz YYEUHHPFMYPLFZ-LLVKDONJSA-N 1 2 249.358 2.129 10 0 BEAELO CCCCCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220588037 490618624 /nfs/dbraw/zinc/61/86/24/490618624.db2.gz YYEUHHPFMYPLFZ-LLVKDONJSA-N 1 2 249.358 2.129 10 0 BEAELO C[C@H]1C[C@H]1[NH2+]c1ccc2c(c1)CCN2C ZINC000757133874 582510421 /nfs/dbraw/zinc/51/04/21/582510421.db2.gz VKNCKGVCIVOJOD-JOYOIKCWSA-N 1 2 202.301 2.499 10 0 BEAELO C[C@H](c1c[nH]c[nH+]1)c1ccccc1C=O ZINC000221591371 526163554 /nfs/dbraw/zinc/16/35/54/526163554.db2.gz WRFDNTNQHCBPMN-VIFPVBQESA-N 1 2 200.241 2.374 10 0 BEAELO CCC[NH2+]c1ccc(N2CCOCC2)cc1 ZINC000020143836 535201412 /nfs/dbraw/zinc/20/14/12/535201412.db2.gz NWIOSHLXRYBMOZ-UHFFFAOYSA-N 1 2 220.316 2.345 10 0 BEAELO CC[C@H](NC(=O)[C@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000218085063 535850526 /nfs/dbraw/zinc/85/05/26/535850526.db2.gz XTOYHJORAIQYCZ-DCAQKATOSA-N 1 2 235.331 2.413 10 0 BEAELO CCN(CC)c1nc(N)c2ccccc2[nH+]1 ZINC000001596053 560182801 /nfs/dbraw/zinc/18/28/01/560182801.db2.gz JJINOCDZQXZAML-UHFFFAOYSA-N 1 2 216.288 2.058 10 0 in-vitro BEAELO C[C@H]1C[C@@H]1[NH2+]c1ccc2c(c1)CCN2C ZINC000757133867 582510227 /nfs/dbraw/zinc/51/02/27/582510227.db2.gz VKNCKGVCIVOJOD-CABZTGNLSA-N 1 2 202.301 2.499 10 0 BEAELO CCC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000148439529 583947368 /nfs/dbraw/zinc/94/73/68/583947368.db2.gz BOYCTISUJIYBAB-UHFFFAOYSA-N 1 2 200.241 2.465 10 0 BEAELO CCCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757566943 586305855 /nfs/dbraw/zinc/30/58/55/586305855.db2.gz LRKMMMLQSSJPSY-UHFFFAOYSA-N 1 2 216.288 2.485 10 0 BEAELO CN(C)c1[nH+]c(CC2CCC2)nc2[nH]ccc21 ZINC000757567435 586315776 /nfs/dbraw/zinc/31/57/76/586315776.db2.gz NEELLMCKDUAHIM-UHFFFAOYSA-N 1 2 230.315 2.367 10 0 BEAELO FC1(F)CCC2(CC1)[NH2+]CC(F)(F)CO2 ZINC000757154228 586430238 /nfs/dbraw/zinc/43/02/38/586430238.db2.gz ZPRVZKUHOXBDMM-UHFFFAOYSA-N 1 2 227.201 2.147 10 0 BEAELO Cc1ccc([N@@H+](C)C[C@H](C)CO)c(C)c1 ZINC000120675967 589453683 /nfs/dbraw/zinc/45/36/83/589453683.db2.gz VYDDXASSSYTPBP-NSHDSACASA-N 1 2 207.317 2.368 10 0 BEAELO Cc1ccc([N@H+](C)C[C@H](C)CO)c(C)c1 ZINC000120675967 589453684 /nfs/dbraw/zinc/45/36/84/589453684.db2.gz VYDDXASSSYTPBP-NSHDSACASA-N 1 2 207.317 2.368 10 0 BEAELO CCOC(=O)C[N@H+](Cc1ccoc1)C(C)C ZINC000124356580 589979397 /nfs/dbraw/zinc/97/93/97/589979397.db2.gz HIOFYDVNAJXRIC-UHFFFAOYSA-N 1 2 225.288 2.053 10 0 BEAELO CCOC(=O)C[N@@H+](Cc1ccoc1)C(C)C ZINC000124356580 589979399 /nfs/dbraw/zinc/97/93/99/589979399.db2.gz HIOFYDVNAJXRIC-UHFFFAOYSA-N 1 2 225.288 2.053 10 0 BEAELO O=Cc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000020079199 590070929 /nfs/dbraw/zinc/07/09/29/590070929.db2.gz VECQBFBIYHJZDV-UHFFFAOYSA-N 1 2 206.632 2.338 10 0 BEAELO C[C@H](O)c1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000124893627 590098334 /nfs/dbraw/zinc/09/83/34/590098334.db2.gz 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GCXUXSUJNJOVHU-BDAKNGLRSA-N 1 2 206.293 2.119 10 0 BEAELO CCc1[nH+]ccn1-c1cc(C(C)=O)ccn1 ZINC000087400543 643399867 /nfs/dbraw/zinc/39/98/67/643399867.db2.gz MDKWALXOJOQIQF-UHFFFAOYSA-N 1 2 215.256 2.032 10 0 BEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1scnc1Cl ZINC000721931889 711939543 /nfs/dbraw/zinc/93/95/43/711939543.db2.gz MAGYBSJOICFOAV-JGVFFNPUSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1scnc1Cl ZINC000721931889 711939546 /nfs/dbraw/zinc/93/95/46/711939546.db2.gz MAGYBSJOICFOAV-JGVFFNPUSA-N 1 2 246.763 2.142 10 0 BEAELO CC[C@@H](C)[C@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000706944700 712162703 /nfs/dbraw/zinc/16/27/03/712162703.db2.gz GPNWUMVIMAXSLP-SFXRXQKFSA-N 1 2 245.388 2.058 10 0 BEAELO Cc1cn2cc(NC(=O)C(F)(F)F)ccc2[nH+]1 ZINC000041305986 712719550 /nfs/dbraw/zinc/71/95/50/712719550.db2.gz YMCWXFBLELBFNN-UHFFFAOYSA-N 1 2 243.188 2.144 10 0 BEAELO CC(C)(C)[C@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000685963506 538910139 /nfs/dbraw/zinc/91/01/39/538910139.db2.gz QSXQWTJVXWMOCP-NEPJUHHUSA-N 1 2 220.316 2.012 10 0 BEAELO CN1c2ccccc2NC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616587859 349467387 /nfs/dbraw/zinc/46/73/87/349467387.db2.gz URNMNTISORWOGI-CYBMUJFWSA-N 1 2 240.310 2.097 10 0 BEAELO Cc1cc(Cl)cn2c([C@@H](C)O)c[nH+]c12 ZINC000082693488 178069655 /nfs/dbraw/zinc/06/96/55/178069655.db2.gz RSGBULVLBCTABI-SSDOTTSWSA-N 1 2 210.664 2.349 10 0 BEAELO Cc1csc(CN(C)c2cc(C)[nH+]cn2)n1 ZINC000301298161 178100012 /nfs/dbraw/zinc/10/00/12/178100012.db2.gz SSPNBNWTVGOJEC-UHFFFAOYSA-N 1 2 234.328 2.186 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C1CCOCC1 ZINC000036319217 178106097 /nfs/dbraw/zinc/10/60/97/178106097.db2.gz ADLZECCMYPZRST-UHFFFAOYSA-N 1 2 206.289 2.168 10 0 BEAELO Cc1cnc(CCNc2cc(C)[nH+]cn2)s1 ZINC000301335741 178163445 /nfs/dbraw/zinc/16/34/45/178163445.db2.gz NVULKHRPTXQEBZ-UHFFFAOYSA-N 1 2 234.328 2.205 10 0 BEAELO Cc1ccc([C@@](C)(O)CNc2cc(C)[nH+]cn2)o1 ZINC000301410563 178170341 /nfs/dbraw/zinc/17/03/41/178170341.db2.gz JUEIXALLJKSIAY-ZDUSSCGKSA-N 1 2 247.298 2.006 10 0 BEAELO CC(C)[C@@H](C)[NH2+]c1ccc(-n2cnnn2)cc1 ZINC000020094386 538930457 /nfs/dbraw/zinc/93/04/57/538930457.db2.gz HATBCSIOJPYICH-SNVBAGLBSA-N 1 2 231.303 2.119 10 0 BEAELO CN(C)/C=[NH+]/c1cccc(Cl)c1C#N ZINC000213524766 398227160 /nfs/dbraw/zinc/22/71/60/398227160.db2.gz ARJGAGQBFKBOOF-NTUHNPAUSA-N 1 2 207.664 2.433 10 0 BEAELO CC(=O)N1CC[C@H](n2cc[nH+]c2)c2ccccc21 ZINC000616589182 349528484 /nfs/dbraw/zinc/52/84/84/349528484.db2.gz QSMTZEJBBYNNFF-ZDUSSCGKSA-N 1 2 241.294 2.229 10 0 BEAELO Cc1c(N)[nH+]cnc1N(C)Cc1ccccc1 ZINC000127238560 398254796 /nfs/dbraw/zinc/25/47/96/398254796.db2.gz BTGVYXRHCCPYDN-UHFFFAOYSA-N 1 2 228.299 2.004 10 0 BEAELO Cc1c(N)nc[nH+]c1N(C)Cc1ccccc1 ZINC000127238560 398254799 /nfs/dbraw/zinc/25/47/99/398254799.db2.gz BTGVYXRHCCPYDN-UHFFFAOYSA-N 1 2 228.299 2.004 10 0 BEAELO CCOC(=O)N1CCCC[C@@H]1c1ccc[nH+]c1N ZINC000616613225 349606877 /nfs/dbraw/zinc/60/68/77/349606877.db2.gz QSTBMSVAVSRCQV-LLVKDONJSA-N 1 2 249.314 2.347 10 0 BEAELO N#C[C@H]([NH3+])c1c[nH]c2c1cccc2Cl ZINC000259842314 349609293 /nfs/dbraw/zinc/60/92/93/349609293.db2.gz YNRLETIIKITLLX-VIFPVBQESA-N 1 2 205.648 2.345 10 0 BEAELO Cc1cc([NH2+][C@@H](C)C(C)C)ccc1-n1cnnn1 ZINC000037104059 538961832 /nfs/dbraw/zinc/96/18/32/538961832.db2.gz IYHQLWYMNNRNEB-NSHDSACASA-N 1 2 245.330 2.427 10 0 BEAELO CCOC(=O)[C@H]1CC=C(c2ccc[nH+]c2N)CC1 ZINC000148207729 342789091 /nfs/dbraw/zinc/78/90/91/342789091.db2.gz AYLMTEUUPBIJTA-NSHDSACASA-N 1 2 246.310 2.410 10 0 BEAELO CC[C@H]1C[NH+]=C(NCC(F)(F)F)S1 ZINC000229999968 342862831 /nfs/dbraw/zinc/86/28/31/342862831.db2.gz CTOOUAQUQHRTIV-YFKPBYRVSA-N 1 2 212.240 2.020 10 0 BEAELO CCn1nccc1[C@@H]1[NH2+]CC[C@H](C)S1 ZINC000164943782 342860510 /nfs/dbraw/zinc/86/05/10/342860510.db2.gz QPQHPDOYTUMLPT-WCBMZHEXSA-N 1 2 211.334 2.017 10 0 BEAELO c1ccc(N2C[C@H]3CC=CC[C@@H]3C2)[nH+]c1 ZINC000301409637 187206173 /nfs/dbraw/zinc/20/61/73/187206173.db2.gz JHFRMEQKULZWKH-VXGBXAGGSA-N 1 2 200.285 2.484 10 0 BEAELO CNc1c(N)c[nH+]c2c(Cl)cc(F)c(C)c12 ZINC000584881862 343083193 /nfs/dbraw/zinc/08/31/93/343083193.db2.gz FSJMHDMTOPRKAH-UHFFFAOYSA-N 1 2 239.681 2.382 10 0 BEAELO CCCN(CC)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124904436 343075380 /nfs/dbraw/zinc/07/53/80/343075380.db2.gz LUZXWXOSXRRDSS-SNVBAGLBSA-N 1 2 208.305 2.371 10 0 BEAELO CC(=O)c1c[nH]c(NC2CCCCC2)[nH+]1 ZINC000196456391 187234071 /nfs/dbraw/zinc/23/40/71/187234071.db2.gz AFANMFBDGRMPGD-UHFFFAOYSA-N 1 2 207.277 2.357 10 0 BEAELO CC(C)[C@H](C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000035452975 187257970 /nfs/dbraw/zinc/25/79/70/187257970.db2.gz BAICXURIZQFFBN-QMMMGPOBSA-N 1 2 249.314 2.056 10 0 BEAELO Cc1[nH+]cc(-c2ncc(C)cc2C)n1C ZINC000039105047 343384882 /nfs/dbraw/zinc/38/48/82/343384882.db2.gz GBCRAPOQBDMMIS-UHFFFAOYSA-N 1 2 201.273 2.407 10 0 BEAELO CCCC(=O)Nc1ccc2[nH+]c(C)cn2c1 ZINC000041304751 343418477 /nfs/dbraw/zinc/41/84/77/343418477.db2.gz PAJUEGMZIXWUGM-UHFFFAOYSA-N 1 2 217.272 2.381 10 0 BEAELO CCn1cc([C@@H]2[NH2+]CC[C@@H](C)S2)cn1 ZINC000234221948 343709471 /nfs/dbraw/zinc/70/94/71/343709471.db2.gz YVPFWGIUFOELHT-PSASIEDQSA-N 1 2 211.334 2.017 10 0 BEAELO CC(=O)Nc1ccc(F)c(NCc2[nH]cc[nH+]2)c1 ZINC000049714880 187269906 /nfs/dbraw/zinc/26/99/06/187269906.db2.gz BINXKGXBHMPXDD-UHFFFAOYSA-N 1 2 248.261 2.119 10 0 BEAELO Cc1ccc(C[N@@H+](C)CC(=O)OC(C)C)cc1 ZINC000049826116 187270083 /nfs/dbraw/zinc/27/00/83/187270083.db2.gz YOSKNMLFECRHFP-UHFFFAOYSA-N 1 2 235.327 2.378 10 0 BEAELO Cc1ccc(C[N@H+](C)CC(=O)OC(C)C)cc1 ZINC000049826116 187270084 /nfs/dbraw/zinc/27/00/84/187270084.db2.gz YOSKNMLFECRHFP-UHFFFAOYSA-N 1 2 235.327 2.378 10 0 BEAELO Nc1ccc(N2CCC[C@@H]2c2cccnc2)[nH+]c1 ZINC000036132041 343681803 /nfs/dbraw/zinc/68/18/03/343681803.db2.gz FFJVZYDOEAHLMP-CYBMUJFWSA-N 1 2 240.310 2.400 10 0 BEAELO CC(=O)Nc1cccc(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054797998 187271933 /nfs/dbraw/zinc/27/19/33/187271933.db2.gz XXZZCVQRMYDSCH-UHFFFAOYSA-N 1 2 244.298 2.289 10 0 BEAELO CC(=O)Nc1cccc(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054797998 187271935 /nfs/dbraw/zinc/27/19/35/187271935.db2.gz XXZZCVQRMYDSCH-UHFFFAOYSA-N 1 2 244.298 2.289 10 0 BEAELO O=C1CC(c2ccsc2)=NN1[C@@H]1CCC[NH2+]C1 ZINC000409438441 343844230 /nfs/dbraw/zinc/84/42/30/343844230.db2.gz LHYJJGBTWPHTQU-SNVBAGLBSA-N 1 2 249.339 2.242 10 0 BEAELO O=c1cc(-c2ccsc2)[nH]n1[C@@H]1CCC[NH2+]C1 ZINC000409438441 343844231 /nfs/dbraw/zinc/84/42/31/343844231.db2.gz LHYJJGBTWPHTQU-SNVBAGLBSA-N 1 2 249.339 2.242 10 0 BEAELO CCc1csc(-c2ccc[nH+]c2N)n1 ZINC000070007118 343946392 /nfs/dbraw/zinc/94/63/92/343946392.db2.gz PFTBQHXODXCAKG-UHFFFAOYSA-N 1 2 205.286 2.350 10 0 BEAELO Cc1nc([C@H]2[NH2+]C[C@@H](C)S2)cs1 ZINC000126782397 344099787 /nfs/dbraw/zinc/09/97/87/344099787.db2.gz BQRPVBWGSFSVFZ-XRGYYRRGSA-N 1 2 200.332 2.175 10 0 BEAELO Cc1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000247506547 344296463 /nfs/dbraw/zinc/29/64/63/344296463.db2.gz MDNAHDUAFCQXLK-VXGBXAGGSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)o1 ZINC000247506547 344296467 /nfs/dbraw/zinc/29/64/67/344296467.db2.gz MDNAHDUAFCQXLK-VXGBXAGGSA-N 1 2 236.315 2.126 10 0 BEAELO CCc1[nH+]cnc2[nH]cc(Br)c21 ZINC000166009902 344273049 /nfs/dbraw/zinc/27/30/49/344273049.db2.gz IFMDJYGVNIQGTQ-UHFFFAOYSA-N 1 2 226.077 2.283 10 0 BEAELO CC(=O)[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000050132306 344647217 /nfs/dbraw/zinc/64/72/17/344647217.db2.gz NRPPDKGSUDJSSX-MRVPVSSYSA-N 1 2 209.314 2.084 10 0 BEAELO CC(=O)[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000050132306 344647219 /nfs/dbraw/zinc/64/72/19/344647219.db2.gz NRPPDKGSUDJSSX-MRVPVSSYSA-N 1 2 209.314 2.084 10 0 BEAELO C[C@@H]1CC(CNc2cc[nH+]cc2F)C[C@@H](C)O1 ZINC000641551442 362496057 /nfs/dbraw/zinc/49/60/57/362496057.db2.gz HBHNFGFZICSZHF-NXEZZACHSA-N 1 2 238.306 2.258 10 0 BEAELO COc1c[nH+]cc(C)c1OC(F)(F)F ZINC000238345397 345026688 /nfs/dbraw/zinc/02/66/88/345026688.db2.gz KUNSHLPDIXPPFM-UHFFFAOYSA-N 1 2 207.151 2.297 10 0 BEAELO Ic1c[nH+]cc2cc[nH]c21 ZINC000238587290 345083221 /nfs/dbraw/zinc/08/32/21/345083221.db2.gz ACEQNWHXIUYCJF-UHFFFAOYSA-N 1 2 244.035 2.168 10 0 BEAELO OCc1cc[nH+]c(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000641648462 362574690 /nfs/dbraw/zinc/57/46/90/362574690.db2.gz KKESAZPKTRBWHQ-QJPTWQEYSA-N 1 2 218.300 2.174 10 0 BEAELO Nc1c(Br)c[nH+]cc1C(F)(F)F ZINC000238635820 345098434 /nfs/dbraw/zinc/09/84/34/345098434.db2.gz JXVAWFHSQWZYKG-UHFFFAOYSA-N 1 2 241.010 2.445 10 0 BEAELO Fc1c[nH+]ccc1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000641648997 362576577 /nfs/dbraw/zinc/57/65/77/362576577.db2.gz VKUPUJHAGVLFMW-IQJOONFLSA-N 1 2 206.264 2.243 10 0 BEAELO Nc1[nH+]ccc2c1cccc2-c1ccc(=O)[nH]c1 ZINC000034584126 345834049 /nfs/dbraw/zinc/83/40/49/345834049.db2.gz MANBWPXVGMKSGN-UHFFFAOYSA-N 1 2 237.262 2.172 10 0 BEAELO NC(=S)c1cc(NCc2ccccc2)cc[nH+]1 ZINC000061811904 345952080 /nfs/dbraw/zinc/95/20/80/345952080.db2.gz QASCYYXWFPYHLB-UHFFFAOYSA-N 1 2 243.335 2.328 10 0 BEAELO [NH3+][C@@H](c1cnc(C(F)(F)F)s1)C(F)F ZINC000236310616 346224079 /nfs/dbraw/zinc/22/40/79/346224079.db2.gz XOKDWIXVJZNIKP-VKHMYHEASA-N 1 2 232.177 2.427 10 0 BEAELO CC[N@H+](C)c1cc(C)ccc1C(N)=S ZINC000051596603 349954658 /nfs/dbraw/zinc/95/46/58/349954658.db2.gz CVXBHBWKJKAHNS-UHFFFAOYSA-N 1 2 208.330 2.085 10 0 BEAELO CC[N@@H+](C)c1cc(C)ccc1C(N)=S ZINC000051596603 349954661 /nfs/dbraw/zinc/95/46/61/349954661.db2.gz CVXBHBWKJKAHNS-UHFFFAOYSA-N 1 2 208.330 2.085 10 0 BEAELO CC(C)(C)O[NH2+]CCCNC(=O)OC(C)(C)C ZINC000148732692 346420785 /nfs/dbraw/zinc/42/07/85/346420785.db2.gz DCGPBEIGPRTYJZ-UHFFFAOYSA-N 1 2 246.351 2.221 10 0 BEAELO Cc1ccc2[nH+]ccn2c1Br ZINC000149491288 346506774 /nfs/dbraw/zinc/50/67/74/346506774.db2.gz ZEJCEVQSLZNIHQ-UHFFFAOYSA-N 1 2 211.062 2.405 10 0 BEAELO Cc1cccc(Cn2cc[nH+]c2[C@@H]2CCOC2)n1 ZINC000065409461 179109497 /nfs/dbraw/zinc/10/94/97/179109497.db2.gz YCYVEUZREOQSEO-GFCCVEGCSA-N 1 2 243.310 2.139 10 0 BEAELO Cc1cccc2[nH+]cc([C@@H](N)C(F)(F)F)n21 ZINC000031919696 179230839 /nfs/dbraw/zinc/23/08/39/179230839.db2.gz GPRBYUHUUFIUGR-SECBINFHSA-N 1 2 229.205 2.205 10 0 BEAELO Cc1ccccc1C(=O)CC[N@H+]1CCOC[C@@H]1C ZINC000054013729 179246278 /nfs/dbraw/zinc/24/62/78/179246278.db2.gz LPQMBRNMEJFGGB-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@@H+]1CCOC[C@@H]1C ZINC000054013729 179246280 /nfs/dbraw/zinc/24/62/80/179246280.db2.gz LPQMBRNMEJFGGB-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@@H+]1CCO[C@@H](C)C1 ZINC000054013338 179246472 /nfs/dbraw/zinc/24/64/72/179246472.db2.gz WVZAAANHQJPUEH-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@H+]1CCO[C@@H](C)C1 ZINC000054013338 179246474 /nfs/dbraw/zinc/24/64/74/179246474.db2.gz WVZAAANHQJPUEH-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@H+]1CCOC[C@H]1C ZINC000054013731 179246566 /nfs/dbraw/zinc/24/65/66/179246566.db2.gz LPQMBRNMEJFGGB-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@@H+]1CCOC[C@H]1C ZINC000054013731 179246569 /nfs/dbraw/zinc/24/65/69/179246569.db2.gz LPQMBRNMEJFGGB-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1NCCn1cc[nH+]c1 ZINC000053520481 179305088 /nfs/dbraw/zinc/30/50/88/179305088.db2.gz QSBSCWWUSVVEQL-UHFFFAOYSA-N 1 2 201.273 2.304 10 0 BEAELO Cn1cc[nH+]c1-c1ccc(N)c(Cl)c1 ZINC000203801517 348219538 /nfs/dbraw/zinc/21/95/38/348219538.db2.gz SRTVBZMVFKUPRM-UHFFFAOYSA-N 1 2 207.664 2.323 10 0 BEAELO Cc1ccn(-c2cc(CO)[nH+]c3ccccc32)n1 ZINC000103923354 179398977 /nfs/dbraw/zinc/39/89/77/179398977.db2.gz KATCIRZZSLDGSE-UHFFFAOYSA-N 1 2 239.278 2.221 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)c1ccccc1N ZINC000111238507 179712376 /nfs/dbraw/zinc/71/23/76/179712376.db2.gz FRAHNVVELRAOBW-UHFFFAOYSA-N 1 2 227.267 2.225 10 0 BEAELO Nc1cn(Cc2ccc(Cl)s2)c[nH+]1 ZINC000725248859 538018330 /nfs/dbraw/zinc/01/83/30/538018330.db2.gz INDWDANVAVGBCW-UHFFFAOYSA-N 1 2 213.693 2.229 10 0 BEAELO Nc1cn(Cc2sccc2Cl)c[nH+]1 ZINC000725248848 538018393 /nfs/dbraw/zinc/01/83/93/538018393.db2.gz GGEGHVWZFQEAKD-UHFFFAOYSA-N 1 2 213.693 2.229 10 0 BEAELO Cc1ccn2c(c1)[nH+]c1c2CSCC1 ZINC000228016724 350014905 /nfs/dbraw/zinc/01/49/05/350014905.db2.gz QGOGRYUJYIBLHT-UHFFFAOYSA-N 1 2 204.298 2.432 10 0 BEAELO Cc1nc2[nH]ccc2c(NC2CCC2)[nH+]1 ZINC000027987491 180015948 /nfs/dbraw/zinc/01/59/48/180015948.db2.gz YKOFIURKTHXXTH-UHFFFAOYSA-N 1 2 202.261 2.231 10 0 BEAELO Cc1nc([C@@H](C)[NH2+]Cc2cn[nH]c2)c(C)s1 ZINC000038006007 180037815 /nfs/dbraw/zinc/03/78/15/180037815.db2.gz OLHMQQOSGHEOFH-SSDOTTSWSA-N 1 2 236.344 2.334 10 0 BEAELO Cc1[nH+]c2c(C)cc(Cl)cn2c1CO ZINC000082693458 180063391 /nfs/dbraw/zinc/06/33/91/180063391.db2.gz AONMXRSOERHPNA-UHFFFAOYSA-N 1 2 210.664 2.097 10 0 BEAELO Cc1nc(N[C@H]2CCO[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302069625 180069588 /nfs/dbraw/zinc/06/95/88/180069588.db2.gz DRJWIIRCOZVIIK-CABZTGNLSA-N 1 2 247.342 2.253 10 0 BEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccco1 ZINC000090227003 180110385 /nfs/dbraw/zinc/11/03/85/180110385.db2.gz IZARBMYDVIVBSV-MWLCHTKSSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1[nH+]c2ccccc2n1C[C@H](C)C(N)=S ZINC000036678321 180103547 /nfs/dbraw/zinc/10/35/47/180103547.db2.gz BBMGEWUZMMNIDL-QMMMGPOBSA-N 1 2 233.340 2.267 10 0 BEAELO Cc1c(CNc2ccc[nH+]c2C)cnn1C ZINC000086552183 180227002 /nfs/dbraw/zinc/22/70/02/180227002.db2.gz MGDNPAYIMFCJMF-UHFFFAOYSA-N 1 2 216.288 2.044 10 0 BEAELO Cc1[nH+]cn2cc(Br)sc12 ZINC000095830904 180288671 /nfs/dbraw/zinc/28/86/71/180288671.db2.gz RBDFLWLOMGZUDL-UHFFFAOYSA-N 1 2 217.091 2.467 10 0 BEAELO CC(C)[N@@H+]1CCCCC[C@H]1c1cn[nH]n1 ZINC000616621916 351084735 /nfs/dbraw/zinc/08/47/35/351084735.db2.gz RDAVEEWXTOVWLC-NSHDSACASA-N 1 2 208.309 2.130 10 0 BEAELO CC(C)[N@H+]1CCCCC[C@H]1c1cn[nH]n1 ZINC000616621916 351084740 /nfs/dbraw/zinc/08/47/40/351084740.db2.gz RDAVEEWXTOVWLC-NSHDSACASA-N 1 2 208.309 2.130 10 0 BEAELO COC(=O)N1CCCCC[C@H]1c1[nH]cc[nH+]1 ZINC000616623653 351089089 /nfs/dbraw/zinc/08/90/89/351089089.db2.gz OKKJEYOOLNRERY-VIFPVBQESA-N 1 2 223.276 2.093 10 0 BEAELO CCOC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)CC1 ZINC000616627338 351094661 /nfs/dbraw/zinc/09/46/61/351094661.db2.gz JDFGLZRCMKETPA-SNVBAGLBSA-N 1 2 237.303 2.136 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616641732 351151322 /nfs/dbraw/zinc/15/13/22/351151322.db2.gz NOKGROJQGLUIED-NSHDSACASA-N 1 2 211.692 2.343 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1cccc(Cl)c1 ZINC000616641732 351151326 /nfs/dbraw/zinc/15/13/26/351151326.db2.gz NOKGROJQGLUIED-NSHDSACASA-N 1 2 211.692 2.343 10 0 BEAELO c1nocc1[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000616642995 351154401 /nfs/dbraw/zinc/15/44/01/351154401.db2.gz PZVOLSBPXBNMTB-AWEZNQCLSA-N 1 2 244.294 2.248 10 0 BEAELO c1nocc1[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000616642995 351154404 /nfs/dbraw/zinc/15/44/04/351154404.db2.gz PZVOLSBPXBNMTB-AWEZNQCLSA-N 1 2 244.294 2.248 10 0 BEAELO CC(C)(C)[N@@H+]1CCOCC[C@@H]1C(F)F ZINC000616655304 351192809 /nfs/dbraw/zinc/19/28/09/351192809.db2.gz BOUPXYRDSSJKQL-MRVPVSSYSA-N 1 2 207.264 2.141 10 0 BEAELO CC(C)(C)[N@H+]1CCOCC[C@@H]1C(F)F ZINC000616655304 351192812 /nfs/dbraw/zinc/19/28/12/351192812.db2.gz BOUPXYRDSSJKQL-MRVPVSSYSA-N 1 2 207.264 2.141 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616637059 351131545 /nfs/dbraw/zinc/13/15/45/351131545.db2.gz KBXZSERACAFSMN-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1cc2ccccc2cn1 ZINC000616637059 351131546 /nfs/dbraw/zinc/13/15/46/351131546.db2.gz KBXZSERACAFSMN-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616637859 351136051 /nfs/dbraw/zinc/13/60/51/351136051.db2.gz QVDOKBUSLZKEAF-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1cccc(NC(C)=O)c1 ZINC000616637859 351136057 /nfs/dbraw/zinc/13/60/57/351136057.db2.gz QVDOKBUSLZKEAF-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@H]1c1[nH]cc[nH+]1 ZINC000616669310 351228928 /nfs/dbraw/zinc/22/89/28/351228928.db2.gz GEYVDCRRPGKKPV-ZDUSSCGKSA-N 1 2 241.294 2.450 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@@H]1c1c[nH+]c[nH]1 ZINC000616668238 351230141 /nfs/dbraw/zinc/23/01/41/351230141.db2.gz IKDCXYOLDOIMES-CQSZACIVSA-N 1 2 241.294 2.450 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@@H]1c1c[nH]c[nH+]1 ZINC000616668238 351230144 /nfs/dbraw/zinc/23/01/44/351230144.db2.gz IKDCXYOLDOIMES-CQSZACIVSA-N 1 2 241.294 2.450 10 0 BEAELO CC(=O)N1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616671611 351234588 /nfs/dbraw/zinc/23/45/88/351234588.db2.gz AXWFMHOTEVKLTJ-GFCCVEGCSA-N 1 2 241.294 2.103 10 0 BEAELO CC(=O)N1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616671611 351234590 /nfs/dbraw/zinc/23/45/90/351234590.db2.gz AXWFMHOTEVKLTJ-GFCCVEGCSA-N 1 2 241.294 2.103 10 0 BEAELO C[N@@H+]1CCO[C@@H](c2cnc3ccccc3c2)C1 ZINC000616677664 351244567 /nfs/dbraw/zinc/24/45/67/351244567.db2.gz OEPBGDVWFWLXDN-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCO[C@@H](c2cnc3ccccc3c2)C1 ZINC000616677664 351244569 /nfs/dbraw/zinc/24/45/69/351244569.db2.gz OEPBGDVWFWLXDN-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO CN1C[C@@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616681693 351252226 /nfs/dbraw/zinc/25/22/26/351252226.db2.gz SYNZYQZYLPJFNF-LBPRGKRZSA-N 1 2 240.310 2.097 10 0 BEAELO CN1C[C@H](c2cc[nH+]c(N)c2)Nc2ccccc21 ZINC000616683048 351253517 /nfs/dbraw/zinc/25/35/17/351253517.db2.gz NVBROGJZDANLEC-GFCCVEGCSA-N 1 2 240.310 2.097 10 0 BEAELO CN1c2ccccc2NC[C@H]1c1ccc[nH+]c1N ZINC000616684606 351255236 /nfs/dbraw/zinc/25/52/36/351255236.db2.gz VQUSEWMCUPSAPB-ZDUSSCGKSA-N 1 2 240.310 2.267 10 0 BEAELO CCN1c2ccccc2NC[C@H]1c1[nH]cc[nH+]1 ZINC000616686793 351256866 /nfs/dbraw/zinc/25/68/66/351256866.db2.gz UJDSNPVQYORNOS-LBPRGKRZSA-N 1 2 228.299 2.403 10 0 BEAELO CC(=O)N1C[C@@H](c2[nH]cc[nH+]2)Cc2ccccc21 ZINC000616691163 351259144 /nfs/dbraw/zinc/25/91/44/351259144.db2.gz VUJHCBQTILHNLU-LBPRGKRZSA-N 1 2 241.294 2.103 10 0 BEAELO C[NH+](C)CC(=O)c1cc2ccccc2o1 ZINC000034989540 351376644 /nfs/dbraw/zinc/37/66/44/351376644.db2.gz XZJVWOOURCGKJN-UHFFFAOYSA-N 1 2 203.241 2.177 10 0 BEAELO C[C@@H]1[NH+]=C(NCC(F)(F)F)S[C@H]1C ZINC000306974422 351395615 /nfs/dbraw/zinc/39/56/15/351395615.db2.gz MGVRVNXQLKUUKT-WHFBIAKZSA-N 1 2 212.240 2.018 10 0 BEAELO Cc1c[nH]c([C@@H](C)CNC(=O)OC(C)(C)C)[nH+]1 ZINC000307047128 351447435 /nfs/dbraw/zinc/44/74/35/351447435.db2.gz ZRKYSWVEXKRSQX-QMMMGPOBSA-N 1 2 239.319 2.346 10 0 BEAELO C[C@@H]1CCS[C@@H](c2ccns2)[NH2+]1 ZINC000404456310 351460679 /nfs/dbraw/zinc/46/06/79/351460679.db2.gz WBOWXIFGFZPRSY-SVRRBLITSA-N 1 2 200.332 2.257 10 0 BEAELO Cc1ncc([C@H]2[NH2+]C[C@@H](C)CS2)s1 ZINC000307169442 351544260 /nfs/dbraw/zinc/54/42/60/351544260.db2.gz YFWPMICUMAYIDN-MUWHJKNJSA-N 1 2 214.359 2.423 10 0 BEAELO COC(=O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000037187488 358469256 /nfs/dbraw/zinc/46/92/56/358469256.db2.gz WOYZSLGWZWUUHK-ZIAGYGMSSA-N 1 2 247.338 2.475 10 0 BEAELO COC(=O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000037187489 358469366 /nfs/dbraw/zinc/46/93/66/358469366.db2.gz WOYZSLGWZWUUHK-KGLIPLIRSA-N 1 2 247.338 2.475 10 0 BEAELO COC(=O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000037187490 358469408 /nfs/dbraw/zinc/46/94/08/358469408.db2.gz WOYZSLGWZWUUHK-UONOGXRCSA-N 1 2 247.338 2.475 10 0 BEAELO CC[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000725273135 538104442 /nfs/dbraw/zinc/10/44/42/538104442.db2.gz VIXMWVQPLDPFAR-LBPRGKRZSA-N 1 2 203.285 2.240 10 0 BEAELO CC[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000725273135 538104443 /nfs/dbraw/zinc/10/44/43/538104443.db2.gz VIXMWVQPLDPFAR-LBPRGKRZSA-N 1 2 203.285 2.240 10 0 BEAELO Cc1ccc(NC(=O)Cn2cc[nH+]c2)c(C)c1 ZINC000029594121 352672051 /nfs/dbraw/zinc/67/20/51/352672051.db2.gz NSCAYGGOIRVHNF-UHFFFAOYSA-N 1 2 229.283 2.139 10 0 BEAELO Brc1cc(C[N@H+]2CC=CCC2)on1 ZINC000307590082 352663972 /nfs/dbraw/zinc/66/39/72/352663972.db2.gz BLEHUOYILMJJSP-UHFFFAOYSA-N 1 2 243.104 2.199 10 0 BEAELO Brc1cc(C[N@@H+]2CC=CCC2)on1 ZINC000307590082 352663976 /nfs/dbraw/zinc/66/39/76/352663976.db2.gz BLEHUOYILMJJSP-UHFFFAOYSA-N 1 2 243.104 2.199 10 0 BEAELO Cn1cc[nH+]c1-c1ccc(Cl)cc1N ZINC000082532972 188313027 /nfs/dbraw/zinc/31/30/27/188313027.db2.gz GZKRWOYRBBLGCH-UHFFFAOYSA-N 1 2 207.664 2.323 10 0 BEAELO CCCC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000171139098 188338178 /nfs/dbraw/zinc/33/81/78/188338178.db2.gz WUYZSBFUECGHEM-JTQLQIEISA-N 1 2 226.345 2.317 10 0 BEAELO CCCC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000171139098 188338181 /nfs/dbraw/zinc/33/81/81/188338181.db2.gz WUYZSBFUECGHEM-JTQLQIEISA-N 1 2 226.345 2.317 10 0 BEAELO CC(C)N1CC(C)(C)[NH2+][C@@H]1c1ccco1 ZINC000019319897 188349986 /nfs/dbraw/zinc/34/99/86/188349986.db2.gz LFZRIMVPGHCLNP-NSHDSACASA-N 1 2 208.305 2.370 10 0 BEAELO CC(C)[N@@H+]1CC(C)(C)N[C@@H]1c1ccco1 ZINC000019319897 188349988 /nfs/dbraw/zinc/34/99/88/188349988.db2.gz LFZRIMVPGHCLNP-NSHDSACASA-N 1 2 208.305 2.370 10 0 BEAELO CC(C)[N@H+]1CC(C)(C)N[C@@H]1c1ccco1 ZINC000019319897 188349989 /nfs/dbraw/zinc/34/99/89/188349989.db2.gz LFZRIMVPGHCLNP-NSHDSACASA-N 1 2 208.305 2.370 10 0 BEAELO Fc1cccc(Cl)c1[C@@H]1[NH2+]CCO1 ZINC000049812313 181000063 /nfs/dbraw/zinc/00/00/63/181000063.db2.gz POUGVOAGPBHKLM-SECBINFHSA-N 1 2 201.628 2.098 10 0 BEAELO COc1nscc1-c1c[nH+]cc(N)c1C ZINC000675059293 538482853 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JPBXIDSIUBAUNJ-MRVPVSSYSA-N 1 2 205.257 2.067 10 0 BEAELO CCC1=[NH+][C@@H](C)CN1C(=O)OC(C)(C)C ZINC000584610933 358274623 /nfs/dbraw/zinc/27/46/23/358274623.db2.gz JOVVBBPPSNZVKP-QMMMGPOBSA-N 1 2 212.293 2.434 10 0 BEAELO CC(C)([C@@H](O)c1ccccc1)n1cc[nH+]c1 ZINC000584616917 358281558 /nfs/dbraw/zinc/28/15/58/358281558.db2.gz QNJYGLHYCGQIMQ-LBPRGKRZSA-N 1 2 216.284 2.352 10 0 BEAELO Brc1ccc(Cn2cc[nH+]c2)nc1 ZINC000132987267 358741294 /nfs/dbraw/zinc/74/12/94/358741294.db2.gz OKNXQCLCPOVIKB-UHFFFAOYSA-N 1 2 238.088 2.089 10 0 BEAELO COc1cccc(F)c1[C@@H](C)[NH2+]Cc1cc[nH]n1 ZINC000134773529 358805314 /nfs/dbraw/zinc/80/53/14/358805314.db2.gz GKJLIXXVLMYNND-SECBINFHSA-N 1 2 249.289 2.408 10 0 BEAELO Oc1cccc([C@@H]2[NH2+]CCS2)c1Cl ZINC000306161857 358966737 /nfs/dbraw/zinc/96/67/37/358966737.db2.gz VRCJRBFJFFWAHW-SECBINFHSA-N 1 2 215.705 2.381 10 0 BEAELO CCOc1cc[nH+]cc1[C@H]1CCCC1=O ZINC000306193278 359020638 /nfs/dbraw/zinc/02/06/38/359020638.db2.gz UMIUMBNOQXIGMP-SECBINFHSA-N 1 2 205.257 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OXETVZFJKOEROR-QGZVFWFLSA-N 1 2 248.351 2.352 10 0 BEAELO C[C@@H]1SCCN(c2cccc[nH+]2)[C@H]1C ZINC000301258814 132252101 /nfs/dbraw/zinc/25/21/01/132252101.db2.gz CHHIGDPWTDIUNR-UWVGGRQHSA-N 1 2 208.330 2.412 10 0 BEAELO NC(=S)c1ccccc1[NH+]1CCCCC1 ZINC000020077132 132329652 /nfs/dbraw/zinc/32/96/52/132329652.db2.gz PHOGHQIBDMWNTD-UHFFFAOYSA-N 1 2 220.341 2.311 10 0 BEAELO OCc1ccc[nH+]c1N1CCc2ccccc2C1 ZINC000040864468 132348870 /nfs/dbraw/zinc/34/88/70/132348870.db2.gz PEWWRNSGRWXGPL-UHFFFAOYSA-N 1 2 240.306 2.137 10 0 BEAELO CCOCCSCc1[nH+]ccn1CC ZINC000173742758 134274958 /nfs/dbraw/zinc/27/49/58/134274958.db2.gz CJHHKEXLVQPDJA-UHFFFAOYSA-N 1 2 214.334 2.173 10 0 BEAELO O=C(Nc1ccccc1)[C@@H]1CCCn2cc[nH+]c21 ZINC000177783648 134300011 /nfs/dbraw/zinc/30/00/11/134300011.db2.gz OKVPQZNUZOCRKO-GFCCVEGCSA-N 1 2 241.294 2.399 10 0 BEAELO C[C@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358212 134308628 /nfs/dbraw/zinc/30/86/28/134308628.db2.gz PJRCCJMNJZDAKC-GXSJLCMTSA-N 1 2 232.287 2.057 10 0 BEAELO COc1ncccc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000220902748 134315070 /nfs/dbraw/zinc/31/50/70/134315070.db2.gz DIUZURYZBMCHGG-SNVBAGLBSA-N 1 2 247.298 2.237 10 0 BEAELO COC(=O)[C@@H]([NH2+][C@H](C)c1cccs1)C1CC1 ZINC000220976037 134315231 /nfs/dbraw/zinc/31/52/31/134315231.db2.gz JDXROVMABFNWOC-KCJUWKMLSA-N 1 2 239.340 2.350 10 0 BEAELO CCCCS(=O)(=O)Cc1[nH+]ccn1C(C)C ZINC000195520013 134844411 /nfs/dbraw/zinc/84/44/11/134844411.db2.gz JUGKWBRZOUUJEJ-UHFFFAOYSA-N 1 2 244.360 2.179 10 0 BEAELO c1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000269681375 135166144 /nfs/dbraw/zinc/16/61/44/135166144.db2.gz TXDRZVSTRHMXGQ-WDEREUQCSA-N 1 2 238.356 2.287 10 0 BEAELO c1csc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)n1 ZINC000269681375 135166146 /nfs/dbraw/zinc/16/61/46/135166146.db2.gz TXDRZVSTRHMXGQ-WDEREUQCSA-N 1 2 238.356 2.287 10 0 BEAELO Cc1nocc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000334304875 135348409 /nfs/dbraw/zinc/34/84/09/135348409.db2.gz CGGDQEAZJDHVMG-STQMWFEESA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nocc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000334304875 135348411 /nfs/dbraw/zinc/34/84/11/135348411.db2.gz CGGDQEAZJDHVMG-STQMWFEESA-N 1 2 236.315 2.126 10 0 BEAELO CCn1cc[nH+]c1CS[C@H](C)CC(=O)OC ZINC000078811827 135396038 /nfs/dbraw/zinc/39/60/38/135396038.db2.gz CLPRSWPXXKGJMH-SECBINFHSA-N 1 2 242.344 2.088 10 0 BEAELO CC[C@H]1CS[C@H](c2nccn2CC)[NH2+]1 ZINC000307264455 398048114 /nfs/dbraw/zinc/04/81/14/398048114.db2.gz FPXKPLXVBMAGGG-WCBMZHEXSA-N 1 2 211.334 2.017 10 0 BEAELO Cc1nnc(C[N@@H+](C)[C@H](C)c2ccccc2)n1C ZINC000051709646 398057226 /nfs/dbraw/zinc/05/72/26/398057226.db2.gz NDPDJANJJGPJAQ-LLVKDONJSA-N 1 2 244.342 2.317 10 0 BEAELO Cc1nnc(C[N@H+](C)[C@H](C)c2ccccc2)n1C ZINC000051709646 398057232 /nfs/dbraw/zinc/05/72/32/398057232.db2.gz NDPDJANJJGPJAQ-LLVKDONJSA-N 1 2 244.342 2.317 10 0 BEAELO CC(C)Nc1nc[nH+]c(N2CCCCCC2)c1N ZINC000040708021 167151236 /nfs/dbraw/zinc/15/12/36/167151236.db2.gz KYCUFNHVNWEOTE-UHFFFAOYSA-N 1 2 249.362 2.260 10 0 BEAELO CC(C)[C@@H](C)[NH2+]c1cc2c(cc1N)OCC(=O)N2 ZINC000035452972 167385583 /nfs/dbraw/zinc/38/55/83/167385583.db2.gz BAICXURIZQFFBN-MRVPVSSYSA-N 1 2 249.314 2.056 10 0 BEAELO CC(C)n1cnnc1[C@@H]1[NH2+]CCc2sccc21 ZINC000054498262 167784260 /nfs/dbraw/zinc/78/42/60/167784260.db2.gz AEUNRUMWFOMGRI-LLVKDONJSA-N 1 2 248.355 2.156 10 0 BEAELO C[C@@H]1CC[C@@H](C)[N@H+](Cc2csnn2)C1 ZINC000127782230 411252994 /nfs/dbraw/zinc/25/29/94/411252994.db2.gz XKZIGYIRYRCFRP-RKDXNWHRSA-N 1 2 211.334 2.159 10 0 BEAELO C[C@@H]1CC[C@@H](C)[N@@H+](Cc2csnn2)C1 ZINC000127782230 411252996 /nfs/dbraw/zinc/25/29/96/411252996.db2.gz XKZIGYIRYRCFRP-RKDXNWHRSA-N 1 2 211.334 2.159 10 0 BEAELO CC1(C[NH2+]c2ccc(N)c(C(N)=O)c2)CCCC1 ZINC000111762972 168048772 /nfs/dbraw/zinc/04/87/72/168048772.db2.gz NYEOSFWMSIURMK-UHFFFAOYSA-N 1 2 247.342 2.360 10 0 BEAELO CC1CCC(CNc2ccc(CO)c[nH+]2)CC1 ZINC000356308774 168153510 /nfs/dbraw/zinc/15/35/10/168153510.db2.gz UNJULFMQPJHPSZ-UHFFFAOYSA-N 1 2 234.343 2.234 10 0 BEAELO CCC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173922362 168238666 /nfs/dbraw/zinc/23/86/66/168238666.db2.gz CYQGARZEDASPAG-LLVKDONJSA-N 1 2 243.310 2.460 10 0 BEAELO Cc1cc(N[C@@H]2CNc3ccccc3C2)nc[nH+]1 ZINC000404434090 411396460 /nfs/dbraw/zinc/39/64/60/411396460.db2.gz DCFTXQZVIPFXLY-LBPRGKRZSA-N 1 2 240.310 2.234 10 0 BEAELO CN1C[C@H](c2ccc(N)[nH+]c2)Nc2ccccc21 ZINC000616683675 411415320 /nfs/dbraw/zinc/41/53/20/411415320.db2.gz SYNZYQZYLPJFNF-GFCCVEGCSA-N 1 2 240.310 2.097 10 0 BEAELO CC[NH2+][C@@]1(C(=O)OCC)CCc2ccccc2C1 ZINC000037515815 170155838 /nfs/dbraw/zinc/15/58/38/170155838.db2.gz UBFHNYRZPXBIKP-HNNXBMFYSA-N 1 2 247.338 2.087 10 0 BEAELO CC[NH2+][C@H](c1cccc(F)c1)c1ncccn1 ZINC000037536331 170164427 /nfs/dbraw/zinc/16/44/27/170164427.db2.gz WWJRKVHDYVRHQH-GFCCVEGCSA-N 1 2 231.274 2.315 10 0 BEAELO CCNc1cc(C[N@@H+]2CCOCC2(C)C)ccn1 ZINC000052730452 170171971 /nfs/dbraw/zinc/17/19/71/170171971.db2.gz VVMLDGUSNHDKQT-UHFFFAOYSA-N 1 2 249.358 2.124 10 0 BEAELO CCNc1cc(C[N@H+]2CCOCC2(C)C)ccn1 ZINC000052730452 170171972 /nfs/dbraw/zinc/17/19/72/170171972.db2.gz VVMLDGUSNHDKQT-UHFFFAOYSA-N 1 2 249.358 2.124 10 0 BEAELO CCNc1cc(CN2CCCCCC2=O)cc[nH+]1 ZINC000052732810 170172214 /nfs/dbraw/zinc/17/22/14/170172214.db2.gz KWBMGCDPFWSHOZ-UHFFFAOYSA-N 1 2 247.342 2.416 10 0 BEAELO CCNc1ccc(COCCOC(C)C)c[nH+]1 ZINC000050832089 170173833 /nfs/dbraw/zinc/17/38/33/170173833.db2.gz GYOXWLPEMAJHPM-UHFFFAOYSA-N 1 2 238.331 2.455 10 0 BEAELO CCOC(=O)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000065006361 170243637 /nfs/dbraw/zinc/24/36/37/170243637.db2.gz JOHPEPVZQPOMCO-UHFFFAOYSA-N 1 2 219.244 2.440 10 0 BEAELO CCOC(=O)[C@@](C)([NH3+])c1cccc(Cl)c1 ZINC000037459895 170260888 /nfs/dbraw/zinc/26/08/88/170260888.db2.gz AGXIGEHOKQCRAA-NSHDSACASA-N 1 2 227.691 2.077 10 0 BEAELO CCOC(=O)[C@@](C)([NH3+])c1cc(C)ccc1C ZINC000037459866 170262033 /nfs/dbraw/zinc/26/20/33/170262033.db2.gz YTUAQSQGRZPKTN-ZDUSSCGKSA-N 1 2 221.300 2.040 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000037459959 170276667 /nfs/dbraw/zinc/27/66/67/170276667.db2.gz IMBIVPQNOXBHQN-GFCCVEGCSA-N 1 2 221.300 2.373 10 0 BEAELO CCOC(=O)c1c(C)[nH+]c(C)cc1CC ZINC000021989910 170288246 /nfs/dbraw/zinc/28/82/46/170288246.db2.gz FUDCGXXRFRGTGB-UHFFFAOYSA-N 1 2 207.273 2.438 10 0 BEAELO CCOC(=O)c1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714813 170298723 /nfs/dbraw/zinc/29/87/23/170298723.db2.gz LRELLSDCXJZBIS-UHFFFAOYSA-N 1 2 245.282 2.199 10 0 BEAELO CC(=O)N1CCCCC[C@H]1c1cc[nH+]c(N)c1 ZINC000616622354 411855486 /nfs/dbraw/zinc/85/54/86/411855486.db2.gz BUZHKNHBOHRDEA-LBPRGKRZSA-N 1 2 233.315 2.127 10 0 BEAELO CCc1nc([C@@H]([NH3+])c2cc(C)sc2C)no1 ZINC000049687981 172003882 /nfs/dbraw/zinc/00/38/82/172003882.db2.gz SQFYLQGHGKKMLU-JTQLQIEISA-N 1 2 237.328 2.358 10 0 BEAELO CCc1nc([C@@H]([NH3+])c2ccccc2Cl)no1 ZINC000036763098 172003909 /nfs/dbraw/zinc/00/39/09/172003909.db2.gz HPDDQFASKVEEDL-JTQLQIEISA-N 1 2 237.690 2.334 10 0 BEAELO CCn1c(C)nnc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000182569722 172139050 /nfs/dbraw/zinc/13/90/50/172139050.db2.gz PTDYVZVKZXQBTH-SNVBAGLBSA-N 1 2 248.330 2.359 10 0 BEAELO CCn1c[nH+]c2cc(Br)c(N)cc21 ZINC000082327990 172231786 /nfs/dbraw/zinc/23/17/86/172231786.db2.gz OYLJHIQMPIWENY-UHFFFAOYSA-N 1 2 240.104 2.401 10 0 BEAELO C[N@@H+]1CCc2sc(Br)cc2C1 ZINC000082326491 173177287 /nfs/dbraw/zinc/17/72/87/173177287.db2.gz HTQYCHBGBWFLEY-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[N@H+]1CCc2sc(Br)cc2C1 ZINC000082326491 173177288 /nfs/dbraw/zinc/17/72/88/173177288.db2.gz HTQYCHBGBWFLEY-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[N@@H+]1Cc2sc3ccc(N)cc3c2C1 ZINC000082380132 173200933 /nfs/dbraw/zinc/20/09/33/173200933.db2.gz JAFPPSFXRVCIBP-UHFFFAOYSA-N 1 2 204.298 2.429 10 0 BEAELO C[N@H+]1Cc2sc3ccc(N)cc3c2C1 ZINC000082380132 173200935 /nfs/dbraw/zinc/20/09/35/173200935.db2.gz JAFPPSFXRVCIBP-UHFFFAOYSA-N 1 2 204.298 2.429 10 0 BEAELO C[NH2+]Cc1noc(Cc2ccc(Cl)cc2)n1 ZINC000051848726 173399535 /nfs/dbraw/zinc/39/95/35/173399535.db2.gz WXZQVULLQUDTML-UHFFFAOYSA-N 1 2 237.690 2.033 10 0 BEAELO COC(=O)[C@@H](C)[NH2+]C[C@H]1CCCc2ccccc21 ZINC000104323532 173689734 /nfs/dbraw/zinc/68/97/34/173689734.db2.gz SKCIRDFWKSZHLI-DGCLKSJQSA-N 1 2 247.338 2.258 10 0 BEAELO COCCC[NH2+]c1ccc(OC)cc1OC ZINC000037753643 174251930 /nfs/dbraw/zinc/25/19/30/174251930.db2.gz YQTNMOWTAZPNKN-UHFFFAOYSA-N 1 2 225.288 2.152 10 0 BEAELO COCC[C@@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110464622 174386846 /nfs/dbraw/zinc/38/68/46/174386846.db2.gz WDDNZZXNLFIHQU-SECBINFHSA-N 1 2 221.304 2.191 10 0 BEAELO COCC[C@H](C)Nc1cc[nH+]c(C2CC2)n1 ZINC000110464620 174409230 /nfs/dbraw/zinc/40/92/30/174409230.db2.gz WDDNZZXNLFIHQU-VIFPVBQESA-N 1 2 221.304 2.191 10 0 BEAELO COc1cc(C)ccc1[NH2+]C[C@@H]1CCOC1 ZINC000037783070 174968422 /nfs/dbraw/zinc/96/84/22/174968422.db2.gz CDKDIMSAKNSZLG-NSHDSACASA-N 1 2 221.300 2.452 10 0 BEAELO COc1cc(F)cc2c(N)cc(C)[nH+]c12 ZINC000050871014 174994152 /nfs/dbraw/zinc/99/41/52/174994152.db2.gz UOHBYANMXLPWPJ-UHFFFAOYSA-N 1 2 206.220 2.273 10 0 BEAELO COc1cc2c(cc1OC)C(C)=[NH+][C@@H](C)C2 ZINC000004262288 175024555 /nfs/dbraw/zinc/02/45/55/175024555.db2.gz ZOTQMAVJUAGCKD-QMMMGPOBSA-N 1 2 219.284 2.457 10 0 BEAELO COc1ccc([NH2+]C2CCC(O)CC2)cc1 ZINC000077990872 175149650 /nfs/dbraw/zinc/14/96/50/175149650.db2.gz FYGMMGICSIAEFJ-UHFFFAOYSA-N 1 2 221.300 2.411 10 0 BEAELO COc1ccc(NCc2[nH+]ccn2C)cc1 ZINC000036804462 175153157 /nfs/dbraw/zinc/15/31/57/175153157.db2.gz PVPRECMYYMEZEW-UHFFFAOYSA-N 1 2 217.272 2.041 10 0 BEAELO COc1ccccc1[C@@H]([NH3+])c1nccs1 ZINC000058432318 175347611 /nfs/dbraw/zinc/34/76/11/175347611.db2.gz IZSDNFAZOBDBFA-SNVBAGLBSA-N 1 2 220.297 2.200 10 0 BEAELO COc1ccccc1[C@H](C)[NH2+]Cc1csnn1 ZINC000036901993 175352380 /nfs/dbraw/zinc/35/23/80/175352380.db2.gz QHSYNXSYIZZYPD-VIFPVBQESA-N 1 2 249.339 2.398 10 0 BEAELO C[C@@H](O)c1ccccc1NCc1c[nH+]c[nH]1 ZINC000054765233 176000340 /nfs/dbraw/zinc/00/03/40/176000340.db2.gz PJUMSFHNWWXCPD-SECBINFHSA-N 1 2 217.272 2.075 10 0 BEAELO C[C@@H](O)c1ccccc1NCc1c[nH]c[nH+]1 ZINC000054765233 176000342 /nfs/dbraw/zinc/00/03/42/176000342.db2.gz PJUMSFHNWWXCPD-SECBINFHSA-N 1 2 217.272 2.075 10 0 BEAELO C[C@@H]1CCC[C@@](CO)(Nc2cccc[nH+]2)C1 ZINC000053110357 176134137 /nfs/dbraw/zinc/13/41/37/176134137.db2.gz QAGDZCOQYLGDTG-DGCLKSJQSA-N 1 2 220.316 2.435 10 0 BEAELO C[C@H]1CCCC[N@@H+]1CC(=O)c1ccc(O)cc1 ZINC000035036140 177073776 /nfs/dbraw/zinc/07/37/76/177073776.db2.gz RKNXXBKJJKFJBU-NSHDSACASA-N 1 2 233.311 2.449 10 0 BEAELO C[C@H]1CCCC[N@H+]1CC(=O)c1ccc(O)cc1 ZINC000035036140 177073777 /nfs/dbraw/zinc/07/37/77/177073777.db2.gz RKNXXBKJJKFJBU-NSHDSACASA-N 1 2 233.311 2.449 10 0 BEAELO C[C@H]1CCC[N@@H+]1CC(=O)c1cc(F)ccc1O ZINC000037911597 177108810 /nfs/dbraw/zinc/10/88/10/177108810.db2.gz NKKXQDFNVKSNEX-VIFPVBQESA-N 1 2 237.274 2.198 10 0 BEAELO C[C@H]1CCC[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037911597 177108811 /nfs/dbraw/zinc/10/88/11/177108811.db2.gz NKKXQDFNVKSNEX-VIFPVBQESA-N 1 2 237.274 2.198 10 0 BEAELO C[C@H]1CCC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336400896 177112562 /nfs/dbraw/zinc/11/25/62/177112562.db2.gz WFBOCDXVJQAXMO-NWDGAFQWSA-N 1 2 247.342 2.052 10 0 BEAELO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(Br)no1 ZINC000293001717 177261338 /nfs/dbraw/zinc/26/13/38/177261338.db2.gz NCKPVTNFUZGPHD-NKWVEPMBSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(Br)no1 ZINC000293001717 177261340 /nfs/dbraw/zinc/26/13/40/177261340.db2.gz NCKPVTNFUZGPHD-NKWVEPMBSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1cccc(F)c1 ZINC000077370248 177300562 /nfs/dbraw/zinc/30/05/62/177300562.db2.gz RZCYPPDCEHXEMR-QWRGUYRKSA-N 1 2 223.291 2.435 10 0 BEAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccncc2)C1 ZINC000032021671 177314879 /nfs/dbraw/zinc/31/48/79/177314879.db2.gz YUWLNNQEMAPTNM-SCRDCRAPSA-N 1 2 233.359 2.059 10 0 BEAELO Cc1cc(N[C@@H]2CCC[C@H]3C[C@H]32)nc[nH+]1 ZINC000393220724 488087619 /nfs/dbraw/zinc/08/76/19/488087619.db2.gz UEVPHBQUYSIIHW-HBNTYKKESA-N 1 2 203.289 2.386 10 0 BEAELO CCCn1nccc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000231740514 487472659 /nfs/dbraw/zinc/47/26/59/487472659.db2.gz SDPUOSZPUHPBEJ-LLVKDONJSA-N 1 2 248.330 2.440 10 0 BEAELO O[C@@H]1CCC[C@@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000405109373 487474817 /nfs/dbraw/zinc/47/48/17/487474817.db2.gz MPEADNOAJCNXAJ-GHMZBOCLSA-N 1 2 233.302 2.269 10 0 BEAELO O[C@@H]1CCC[C@@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000405109373 487474820 /nfs/dbraw/zinc/47/48/20/487474820.db2.gz MPEADNOAJCNXAJ-GHMZBOCLSA-N 1 2 233.302 2.269 10 0 BEAELO O[C@@H]1CCC[C@H](C[N@@H+]2CCCC(F)(F)C2)C1 ZINC000405109391 487474921 /nfs/dbraw/zinc/47/49/21/487474921.db2.gz MPEADNOAJCNXAJ-WDEREUQCSA-N 1 2 233.302 2.269 10 0 BEAELO O[C@@H]1CCC[C@H](C[N@H+]2CCCC(F)(F)C2)C1 ZINC000405109391 487474924 /nfs/dbraw/zinc/47/49/24/487474924.db2.gz MPEADNOAJCNXAJ-WDEREUQCSA-N 1 2 233.302 2.269 10 0 BEAELO Nc1nc[nH+]c2cc(-c3ccccc3)[nH]c21 ZINC000146472190 488138732 /nfs/dbraw/zinc/13/87/32/488138732.db2.gz ZFGNZMZPHLGRNX-UHFFFAOYSA-N 1 2 210.240 2.207 10 0 BEAELO CCOC(=O)[C@@H]1CC[C@@H](c2ccccc2C)[NH2+]1 ZINC000034521773 488198492 /nfs/dbraw/zinc/19/84/92/488198492.db2.gz PZAYTALJRQEWMT-STQMWFEESA-N 1 2 233.311 2.351 10 0 BEAELO CCc1nn(C)cc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000221171664 490180964 /nfs/dbraw/zinc/18/09/64/490180964.db2.gz AWZSGFOQXWFXPB-SNVBAGLBSA-N 1 2 248.330 2.130 10 0 BEAELO CCc1nn(C)cc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000221171614 490181124 /nfs/dbraw/zinc/18/11/24/490181124.db2.gz AWZSGFOQXWFXPB-JTQLQIEISA-N 1 2 248.330 2.130 10 0 BEAELO CCCCN(C)C(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220572038 490613250 /nfs/dbraw/zinc/61/32/50/490613250.db2.gz RRCWJNMPBZDIAW-NSHDSACASA-N 1 2 249.358 2.082 10 0 BEAELO CCCCN(C)C(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220572038 490613255 /nfs/dbraw/zinc/61/32/55/490613255.db2.gz RRCWJNMPBZDIAW-NSHDSACASA-N 1 2 249.358 2.082 10 0 BEAELO CC[N@H+](C[C@@H](C)CO)c1ccccc1C ZINC000121321888 491102558 /nfs/dbraw/zinc/10/25/58/491102558.db2.gz JPDUIERGRXAWJR-LLVKDONJSA-N 1 2 207.317 2.450 10 0 BEAELO CC[N@@H+](C[C@@H](C)CO)c1ccccc1C ZINC000121321888 491102559 /nfs/dbraw/zinc/10/25/59/491102559.db2.gz JPDUIERGRXAWJR-LLVKDONJSA-N 1 2 207.317 2.450 10 0 BEAELO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150269 582533951 /nfs/dbraw/zinc/53/39/51/582533951.db2.gz PHFGNJIXKBOWFR-RKDXNWHRSA-N 1 2 219.275 2.394 10 0 BEAELO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150243 582533727 /nfs/dbraw/zinc/53/37/27/582533727.db2.gz PHFGNJIXKBOWFR-IUCAKERBSA-N 1 2 219.275 2.394 10 0 BEAELO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150310 582534840 /nfs/dbraw/zinc/53/48/40/582534840.db2.gz PKYKJBHZHGJQHR-PSASIEDQSA-N 1 2 205.248 2.148 10 0 BEAELO CC1(C)CC[C@@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757154378 582538871 /nfs/dbraw/zinc/53/88/71/582538871.db2.gz ZZYADTKELUFIGH-SNVBAGLBSA-N 1 2 205.248 2.148 10 0 BEAELO CC(C)[C@@H](C)CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000081803051 535151759 /nfs/dbraw/zinc/15/17/59/535151759.db2.gz GCJOJEPGQFATGN-NWDGAFQWSA-N 1 2 249.358 2.169 10 0 BEAELO CC[C@H]1CN(c2ccc([NH3+])cc2C)CCO1 ZINC000057549715 536160887 /nfs/dbraw/zinc/16/08/87/536160887.db2.gz CHNQPBNDDFYANL-LBPRGKRZSA-N 1 2 220.316 2.192 10 0 BEAELO C[C@H](CCCO)[NH2+]c1ccc2c(c1)CCN2C ZINC000757124072 582499612 /nfs/dbraw/zinc/49/96/12/582499612.db2.gz BNWFDLVSJMAOEQ-LLVKDONJSA-N 1 2 234.343 2.252 10 0 BEAELO CC[C@@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000795649655 586089999 /nfs/dbraw/zinc/08/99/99/586089999.db2.gz QARHELFKIRZGMP-SECBINFHSA-N 1 2 211.696 2.114 10 0 BEAELO CC[C@@H]1CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000795649655 586090000 /nfs/dbraw/zinc/09/00/00/586090000.db2.gz QARHELFKIRZGMP-SECBINFHSA-N 1 2 211.696 2.114 10 0 BEAELO c1cc2c(nc(CC3CC3)[nH+]c2NC2CC2)[nH]1 ZINC000757564884 586461103 /nfs/dbraw/zinc/46/11/03/586461103.db2.gz GVEANRZPAMNAFQ-UHFFFAOYSA-N 1 2 228.299 2.485 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC[C@H]2C)[nH+]c1 ZINC000124920733 590102019 /nfs/dbraw/zinc/10/20/19/590102019.db2.gz BYAJPJJWNFIQAN-NXEZZACHSA-N 1 2 206.289 2.124 10 0 BEAELO Fc1cccnc1C[NH2+]Cc1ccoc1 ZINC000125774344 590189027 /nfs/dbraw/zinc/18/90/27/590189027.db2.gz OZNISMBHLAEKEX-UHFFFAOYSA-N 1 2 206.220 2.104 10 0 BEAELO O=C1CC[NH2+][C@H]1c1cccc(Br)c1 ZINC000211077543 591112851 /nfs/dbraw/zinc/11/28/51/591112851.db2.gz UEWJIOFNJMTQLL-JTQLQIEISA-N 1 2 240.100 2.053 10 0 BEAELO C[C@@H](O)c1ccc(N(C)Cc2cscn2)[nH+]c1 ZINC000213264713 591457638 /nfs/dbraw/zinc/45/76/38/591457638.db2.gz FOPDOUYEVHIADJ-SECBINFHSA-N 1 2 249.339 2.228 10 0 BEAELO CCCCOC(=O)c1ccc(-n2cc[nH+]c2)nc1 ZINC000135962802 592086442 /nfs/dbraw/zinc/08/64/42/592086442.db2.gz GYPMGVJQTBUXPR-UHFFFAOYSA-N 1 2 245.282 2.224 10 0 BEAELO C[C@H](C(N)=O)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000217828168 592149626 /nfs/dbraw/zinc/14/96/26/592149626.db2.gz RPZZWJVCZBTIPE-DTWKUNHWSA-N 1 2 240.734 2.207 10 0 BEAELO C[C@H](C(N)=O)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000217828168 592149630 /nfs/dbraw/zinc/14/96/30/592149630.db2.gz RPZZWJVCZBTIPE-DTWKUNHWSA-N 1 2 240.734 2.207 10 0 BEAELO CC(C)=CC(=O)N[C@@H]1CCC[C@@H]1n1cc[nH+]c1 ZINC000078888363 635437524 /nfs/dbraw/zinc/43/75/24/635437524.db2.gz WLHIDXGQSLHSGD-NEPJUHHUSA-N 1 2 233.315 2.059 10 0 BEAELO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)C(=O)OC(C)(C)C ZINC000233309249 635532960 /nfs/dbraw/zinc/53/29/60/635532960.db2.gz LSEZFDJGMBKYOM-HBNTYKKESA-N 1 2 227.348 2.495 10 0 BEAELO CC[NH2+]Cc1noc(CCc2ccc(C)cc2)n1 ZINC000052946192 632520894 /nfs/dbraw/zinc/52/08/94/632520894.db2.gz BUJOMTZZIYQNRU-UHFFFAOYSA-N 1 2 245.326 2.273 10 0 BEAELO O=Cc1ccc(Cl)cc1-n1cc[nH+]c1 ZINC000163055959 633046104 /nfs/dbraw/zinc/04/61/04/633046104.db2.gz HXSRZOPNFBBJPS-UHFFFAOYSA-N 1 2 206.632 2.338 10 0 BEAELO CCCCOC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246498725 644591294 /nfs/dbraw/zinc/59/12/94/644591294.db2.gz AXYLYBDMFUFTST-QWRGUYRKSA-N 1 2 245.388 2.156 10 0 BEAELO CCCCOC(=O)[C@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246498725 644591298 /nfs/dbraw/zinc/59/12/98/644591298.db2.gz AXYLYBDMFUFTST-QWRGUYRKSA-N 1 2 245.388 2.156 10 0 BEAELO Clc1cnc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cn1 ZINC000706916945 711930150 /nfs/dbraw/zinc/93/01/50/711930150.db2.gz UEAYNMCTEUIHHB-WPRPVWTQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1cnc(C[N@H+]2C[C@@H]3CCC[C@@H]32)cn1 ZINC000706916945 711930151 /nfs/dbraw/zinc/93/01/51/711930151.db2.gz UEAYNMCTEUIHHB-WPRPVWTQSA-N 1 2 223.707 2.114 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1scnc1Cl ZINC000721931891 711939560 /nfs/dbraw/zinc/93/95/60/711939560.db2.gz MAGYBSJOICFOAV-SFYZADRCSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1scnc1Cl ZINC000721931891 711939561 /nfs/dbraw/zinc/93/95/61/711939561.db2.gz MAGYBSJOICFOAV-SFYZADRCSA-N 1 2 246.763 2.142 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]C/C=C\Cl)o1 ZINC000379300901 712372249 /nfs/dbraw/zinc/37/22/49/712372249.db2.gz SLXIUSQXRBAUQW-VEMNSZJBSA-N 1 2 200.669 2.386 10 0 BEAELO Nc1cn(Cc2ccc(F)cc2Cl)c[nH+]1 ZINC000685964269 538911203 /nfs/dbraw/zinc/91/12/03/538911203.db2.gz BBEKCOMNLZQPBB-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO CCC(CC)(c1nccs1)[NH+]1CCOCC1 ZINC000032602588 168332068 /nfs/dbraw/zinc/33/20/68/168332068.db2.gz MYAKSONMQKUXKA-UHFFFAOYSA-N 1 2 240.372 2.491 10 0 BEAELO Cc1cc(F)ccc1C[NH+]1CC(O)(C2CC2)C1 ZINC000128232019 178086009 /nfs/dbraw/zinc/08/60/09/178086009.db2.gz VKOLTOGBRVIBJA-UHFFFAOYSA-N 1 2 235.302 2.091 10 0 BEAELO Cc1cc(N(C)CC2CC(O)C2)nc(C(C)C)[nH+]1 ZINC000091489837 178097592 /nfs/dbraw/zinc/09/75/92/178097592.db2.gz JLYXMYCJYUEMMW-UHFFFAOYSA-N 1 2 249.358 2.116 10 0 BEAELO Cc1cc(N)nc(Cc2ccccc2F)[nH+]1 ZINC000050845223 178109129 /nfs/dbraw/zinc/10/91/29/178109129.db2.gz ZXRWHJDARYHPGB-UHFFFAOYSA-N 1 2 217.247 2.097 10 0 BEAELO CCOC(=O)N1CCCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616622120 398206823 /nfs/dbraw/zinc/20/68/23/398206823.db2.gz UMWLUJYDZNSVIN-NSHDSACASA-N 1 2 237.303 2.483 10 0 BEAELO CCOC(=O)N1CCCCC[C@H]1c1c[nH]c[nH+]1 ZINC000616622120 398206827 /nfs/dbraw/zinc/20/68/27/398206827.db2.gz UMWLUJYDZNSVIN-NSHDSACASA-N 1 2 237.303 2.483 10 0 BEAELO Cc1ccc(-c2cc[nH+]c(NN)n2)cc1C ZINC000073666322 178327906 /nfs/dbraw/zinc/32/79/06/178327906.db2.gz GAYFGQAVRLYCQF-UHFFFAOYSA-N 1 2 214.272 2.046 10 0 BEAELO Cc1ccc([C@@H](C)NC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000188942612 538980480 /nfs/dbraw/zinc/98/04/80/538980480.db2.gz AVASLCGMPKEFOP-SNVBAGLBSA-N 1 2 247.298 2.121 10 0 BEAELO Cc1ccc([C@@H](C)NC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000188942612 538980481 /nfs/dbraw/zinc/98/04/81/538980481.db2.gz AVASLCGMPKEFOP-SNVBAGLBSA-N 1 2 247.298 2.121 10 0 BEAELO Cc1ccc([C@H](C)NC(=O)CCc2c[nH+]c[nH]2)o1 ZINC000188942634 538980691 /nfs/dbraw/zinc/98/06/91/538980691.db2.gz AVASLCGMPKEFOP-JTQLQIEISA-N 1 2 247.298 2.121 10 0 BEAELO Cc1ccc([C@H](C)NC(=O)CCc2c[nH]c[nH+]2)o1 ZINC000188942634 538980692 /nfs/dbraw/zinc/98/06/92/538980692.db2.gz AVASLCGMPKEFOP-JTQLQIEISA-N 1 2 247.298 2.121 10 0 BEAELO CCc1nnc(Cl)n1-c1c[nH+]ccc1C ZINC000071055555 361939202 /nfs/dbraw/zinc/93/92/02/361939202.db2.gz JXEGOGUHIDKQHA-UHFFFAOYSA-N 1 2 222.679 2.187 10 0 BEAELO CCc1cc(N[C@]2(C)CCCOC2)nc[nH+]1 ZINC000381742517 539006553 /nfs/dbraw/zinc/00/65/53/539006553.db2.gz PFURILMLTNDKNQ-GFCCVEGCSA-N 1 2 221.304 2.020 10 0 BEAELO COC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124722532 398339022 /nfs/dbraw/zinc/33/90/22/398339022.db2.gz CFHNKDBBWMWYLH-NSHDSACASA-N 1 2 237.299 2.288 10 0 BEAELO COC(=O)C[N@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124722532 398339023 /nfs/dbraw/zinc/33/90/23/398339023.db2.gz CFHNKDBBWMWYLH-NSHDSACASA-N 1 2 237.299 2.288 10 0 BEAELO CNc1c(N)c[nH+]c2c(Cl)cc(F)cc12 ZINC000584882842 343085398 /nfs/dbraw/zinc/08/53/98/343085398.db2.gz WIQLMSIFYVIYLO-UHFFFAOYSA-N 1 2 225.654 2.073 10 0 BEAELO Nc1c[nH+]c2c(OC(F)(F)F)cccc2c1N ZINC000584882762 343085676 /nfs/dbraw/zinc/08/56/76/343085676.db2.gz PVQUVWGUSFCNAT-UHFFFAOYSA-N 1 2 243.188 2.298 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC[C@H](C)C2)[nH+]c1 ZINC000124895270 343075488 /nfs/dbraw/zinc/07/54/88/343075488.db2.gz NZFOSSZYXMEGLL-WDEREUQCSA-N 1 2 220.316 2.371 10 0 BEAELO CC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000020303520 343140511 /nfs/dbraw/zinc/14/05/11/343140511.db2.gz CMBMAJGCCKXAMV-UHFFFAOYSA-N 1 2 202.257 2.324 10 0 BEAELO C[C@H](N[C@@H](C)c1[nH]cc[nH+]1)c1cscn1 ZINC000124733118 343164648 /nfs/dbraw/zinc/16/46/48/343164648.db2.gz DUUYFLAMZSNCBA-YUMQZZPRSA-N 1 2 222.317 2.278 10 0 BEAELO O=C(C[NH+]1CCCCC1)c1cccc(F)c1 ZINC000035020127 343283114 /nfs/dbraw/zinc/28/31/14/343283114.db2.gz SKMPCOWKGMSVJC-UHFFFAOYSA-N 1 2 221.275 2.494 10 0 BEAELO CCc1cnc(NCc2[nH]cc[nH+]2)s1 ZINC000134993963 343366292 /nfs/dbraw/zinc/36/62/92/343366292.db2.gz RLTAORRYVLHURC-UHFFFAOYSA-N 1 2 208.290 2.041 10 0 BEAELO CC[NH+](CC)Cn1sc2ccccc2c1=O ZINC000038634986 343378103 /nfs/dbraw/zinc/37/81/03/343378103.db2.gz AHUSTNSWINPTNT-UHFFFAOYSA-N 1 2 236.340 2.362 10 0 BEAELO CCOc1cccc(NCc2[nH+]ccn2C)c1 ZINC000049565962 343603321 /nfs/dbraw/zinc/60/33/21/343603321.db2.gz XQNHEJIODAJZJD-UHFFFAOYSA-N 1 2 231.299 2.431 10 0 BEAELO Fc1ccc(F)c([C@@H]2[NH2+]CCS2)c1 ZINC000050522888 343782841 /nfs/dbraw/zinc/78/28/41/343782841.db2.gz SCKGWYLNRADUMP-SECBINFHSA-N 1 2 201.241 2.300 10 0 BEAELO CC(C)Cn1c2ccc(N)cc2[nH+]c1[C@H](C)O ZINC000053735765 187272609 /nfs/dbraw/zinc/27/26/09/187272609.db2.gz KBMMFLSZFFGBEA-VIFPVBQESA-N 1 2 233.315 2.328 10 0 BEAELO Cc1ccc(-c2cc(N)nc(C)[nH+]2)cc1F ZINC000123151365 343786715 /nfs/dbraw/zinc/78/67/15/343786715.db2.gz SALMZWYUAUGUMF-UHFFFAOYSA-N 1 2 217.247 2.482 10 0 BEAELO CNc1cc(N2[C@@H](C)CCC[C@@H]2C)nc[nH+]1 ZINC000409438403 343843661 /nfs/dbraw/zinc/84/36/61/343843661.db2.gz MPMDXUDCKUMFEH-UWVGGRQHSA-N 1 2 220.320 2.286 10 0 BEAELO CNc1cc(N2[C@@H](C)CCC[C@@H]2C)[nH+]cn1 ZINC000409438403 343843664 /nfs/dbraw/zinc/84/36/64/343843664.db2.gz MPMDXUDCKUMFEH-UWVGGRQHSA-N 1 2 220.320 2.286 10 0 BEAELO Cc1nc(-c2ccc[nH+]c2N)sc1C ZINC000070007111 343946358 /nfs/dbraw/zinc/94/63/58/343946358.db2.gz XAUOHCYABWIHKT-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO Cn1cc[nH+]c1-c1ccc(N)cc1Cl ZINC000080627029 187281721 /nfs/dbraw/zinc/28/17/21/187281721.db2.gz NADCFKBLQOBMPN-UHFFFAOYSA-N 1 2 207.664 2.323 10 0 BEAELO CC[C@@H]1CS[C@@H](c2cscn2)[NH2+]1 ZINC000126798361 344104697 /nfs/dbraw/zinc/10/46/97/344104697.db2.gz DUWRVNWUVSRZNS-SVRRBLITSA-N 1 2 200.332 2.257 10 0 BEAELO Cn1cc[nH+]c1-c1cc(F)ccc1C=O ZINC000236078333 344295291 /nfs/dbraw/zinc/29/52/91/344295291.db2.gz SDMJMFDKMHLGAF-UHFFFAOYSA-N 1 2 204.204 2.039 10 0 BEAELO CC(C)(C)OC(=O)N1CC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000230367472 344546424 /nfs/dbraw/zinc/54/64/24/344546424.db2.gz UOEVAHWPNIHAGN-SECBINFHSA-N 1 2 237.303 2.134 10 0 BEAELO Fc1cc(Cl)ccc1C1(F)C[NH2+]C1 ZINC000158136033 344550151 /nfs/dbraw/zinc/55/01/51/344550151.db2.gz DLNAFAOETSIFAG-UHFFFAOYSA-N 1 2 203.619 2.247 10 0 BEAELO C[N@H+](Cc1ccco1)[C@@H]1CCCCC1=O ZINC000050133903 344646976 /nfs/dbraw/zinc/64/69/76/344646976.db2.gz IWRYXLSQKRLZDF-LLVKDONJSA-N 1 2 207.273 2.223 10 0 BEAELO C[N@@H+](Cc1ccco1)[C@@H]1CCCCC1=O ZINC000050133903 344646978 /nfs/dbraw/zinc/64/69/78/344646978.db2.gz IWRYXLSQKRLZDF-LLVKDONJSA-N 1 2 207.273 2.223 10 0 BEAELO C[NH+](C)CC(=O)c1ccc(F)c(Cl)c1 ZINC000238290794 345012889 /nfs/dbraw/zinc/01/28/89/345012889.db2.gz LNNAADADXVGHNG-UHFFFAOYSA-N 1 2 215.655 2.223 10 0 BEAELO CNc1[nH+]cnc(N(C)Cc2ccccc2)c1C ZINC000127240611 345167326 /nfs/dbraw/zinc/16/73/26/345167326.db2.gz ORKMGXWWMSQHFI-UHFFFAOYSA-N 1 2 242.326 2.463 10 0 BEAELO CNc1nc[nH+]c(N(C)Cc2ccccc2)c1C ZINC000127240611 345167328 /nfs/dbraw/zinc/16/73/28/345167328.db2.gz ORKMGXWWMSQHFI-UHFFFAOYSA-N 1 2 242.326 2.463 10 0 BEAELO CCc1nnc(C[N@@H+]2CCC[C@H]2c2ccco2)[nH]1 ZINC000158588912 345352878 /nfs/dbraw/zinc/35/28/78/345352878.db2.gz HABMVUJNLOTNSY-JTQLQIEISA-N 1 2 246.314 2.297 10 0 BEAELO CCc1nnc(C[N@H+]2CCC[C@H]2c2ccco2)[nH]1 ZINC000158588912 345352882 /nfs/dbraw/zinc/35/28/82/345352882.db2.gz HABMVUJNLOTNSY-JTQLQIEISA-N 1 2 246.314 2.297 10 0 BEAELO Cc1cc(N[C@@H]2CCC[C@@H]2O)nc(C(C)C)[nH+]1 ZINC000301673910 187302732 /nfs/dbraw/zinc/30/27/32/187302732.db2.gz RMNGMTOTLDHEGS-MNOVXSKESA-N 1 2 235.331 2.234 10 0 BEAELO COc1cc(N)c2[nH+]c(C)cc(C)c2c1OC ZINC000032251942 345759220 /nfs/dbraw/zinc/75/92/20/345759220.db2.gz SBVWNKJQWHZWIV-UHFFFAOYSA-N 1 2 232.283 2.451 10 0 BEAELO Cc1ccc(OCCCCC[NH+]2CC2)nc1 ZINC000032136332 345726136 /nfs/dbraw/zinc/72/61/36/345726136.db2.gz KFWRFBKJWKMZHG-UHFFFAOYSA-N 1 2 220.316 2.255 10 0 BEAELO CC[N@@H+]1CCOC[C@H]1c1ccccc1OC ZINC000221533056 345736802 /nfs/dbraw/zinc/73/68/02/345736802.db2.gz XNHJLVZQTQAVEB-LBPRGKRZSA-N 1 2 221.300 2.088 10 0 BEAELO CC[N@H+]1CCOC[C@H]1c1ccccc1OC ZINC000221533056 345736805 /nfs/dbraw/zinc/73/68/05/345736805.db2.gz XNHJLVZQTQAVEB-LBPRGKRZSA-N 1 2 221.300 2.088 10 0 BEAELO c1cn(-c2cccc(-n3cc[nH+]c3)c2)cn1 ZINC000034484985 345835139 /nfs/dbraw/zinc/83/51/39/345835139.db2.gz GDWGYEKGZJOUHE-UHFFFAOYSA-N 1 2 210.240 2.058 10 0 BEAELO Cc1c(N)c[nH+]c(NC2CC2)c1Br ZINC000167002777 346178995 /nfs/dbraw/zinc/17/89/95/346178995.db2.gz MGGKWVAIXZSKER-UHFFFAOYSA-N 1 2 242.120 2.309 10 0 BEAELO Cc1nc(C[NH2+]Cc2cccc(C)n2)cs1 ZINC000048329770 179095125 /nfs/dbraw/zinc/09/51/25/179095125.db2.gz KPGYGUIYODSUMV-UHFFFAOYSA-N 1 2 233.340 2.445 10 0 BEAELO Cc1cccc(Cn2cc[nH+]c2[C@H]2CCOC2)n1 ZINC000065409463 179110029 /nfs/dbraw/zinc/11/00/29/179110029.db2.gz YCYVEUZREOQSEO-LBPRGKRZSA-N 1 2 243.310 2.139 10 0 BEAELO Cc1ccccc1Sc1nccnc1C(N)=[NH2+] ZINC000054381181 179316002 /nfs/dbraw/zinc/31/60/02/179316002.db2.gz WBLJEQDIHGJRHK-UHFFFAOYSA-N 1 2 244.323 2.220 10 0 BEAELO Nc1cc(Cn2cc[nH+]c2)ccc1Cl ZINC000036964719 347990561 /nfs/dbraw/zinc/99/05/61/347990561.db2.gz DNEFJBYYGHFGLL-UHFFFAOYSA-N 1 2 207.664 2.167 10 0 BEAELO COC(=O)[C@@H]([NH3+])c1c(Cl)cccc1Cl ZINC000037459753 348614558 /nfs/dbraw/zinc/61/45/58/348614558.db2.gz MCAFQQRDOMKZEG-QMMMGPOBSA-N 1 2 234.082 2.166 10 0 BEAELO Cc1cnc([C@H](C)NCc2[nH+]ccn2C)s1 ZINC000125187250 179654458 /nfs/dbraw/zinc/65/44/58/179654458.db2.gz NFNVFYLQNYEHFR-VIFPVBQESA-N 1 2 236.344 2.036 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2nccn2C)s1 ZINC000125187250 179654460 /nfs/dbraw/zinc/65/44/60/179654460.db2.gz NFNVFYLQNYEHFR-VIFPVBQESA-N 1 2 236.344 2.036 10 0 BEAELO Cc1[nH+]c2ccccc2n1[C@@H]1COC[C@H]1F ZINC000616581099 349261713 /nfs/dbraw/zinc/26/17/13/349261713.db2.gz DWKGJYFUHKYVJT-BXKDBHETSA-N 1 2 220.247 2.254 10 0 BEAELO CC(=O)N1CC[C@@H](n2cc[nH+]c2)c2ccccc21 ZINC000616587441 349426498 /nfs/dbraw/zinc/42/64/98/349426498.db2.gz QSMTZEJBBYNNFF-CYBMUJFWSA-N 1 2 241.294 2.229 10 0 BEAELO Cc1nc2[nH]ccc2c(NCC2CC2)[nH+]1 ZINC000027902006 180018032 /nfs/dbraw/zinc/01/80/32/180018032.db2.gz YFLOEPOKNNXNNP-UHFFFAOYSA-N 1 2 202.261 2.088 10 0 BEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccco1 ZINC000090227000 180111247 /nfs/dbraw/zinc/11/12/47/180111247.db2.gz IZARBMYDVIVBSV-GXSJLCMTSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1[nH+]c2ccccc2n1[C@H](C)C(=O)NC1CC1 ZINC000095082495 180102532 /nfs/dbraw/zinc/10/25/32/180102532.db2.gz FILYTLWECGJBMY-SECBINFHSA-N 1 2 243.310 2.184 10 0 BEAELO Cc1nccc(C[NH2+]Cc2c(F)cccc2F)n1 ZINC000037997728 180189315 /nfs/dbraw/zinc/18/93/15/180189315.db2.gz SXVPUCVVXKIPNL-UHFFFAOYSA-N 1 2 249.264 2.353 10 0 BEAELO CC(=O)CC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125593428 191080710 /nfs/dbraw/zinc/08/07/10/191080710.db2.gz PIBAIHMJAVSSPG-LBPRGKRZSA-N 1 2 239.340 2.101 10 0 BEAELO CC(=O)CC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125593428 191080713 /nfs/dbraw/zinc/08/07/13/191080713.db2.gz PIBAIHMJAVSSPG-LBPRGKRZSA-N 1 2 239.340 2.101 10 0 BEAELO Cc1[nH+]ccn1-c1nc(Br)cs1 ZINC000044116885 180230520 /nfs/dbraw/zinc/23/05/20/180230520.db2.gz MCFPHQVIYFMWEN-UHFFFAOYSA-N 1 2 244.117 2.400 10 0 BEAELO Cc1[nH+]cn(-c2c(F)cc(N)cc2F)c1C ZINC000051925458 180285551 /nfs/dbraw/zinc/28/55/51/180285551.db2.gz WIJOEWGDRLGRED-UHFFFAOYSA-N 1 2 223.226 2.350 10 0 BEAELO CNc1cc(N2[C@H](C)CCC[C@@H]2C)nc[nH+]1 ZINC000409438396 350481249 /nfs/dbraw/zinc/48/12/49/350481249.db2.gz MPMDXUDCKUMFEH-AOOOYVTPSA-N 1 2 220.320 2.286 10 0 BEAELO CNc1cc(N2[C@H](C)CCC[C@@H]2C)[nH+]cn1 ZINC000409438396 350481251 /nfs/dbraw/zinc/48/12/51/350481251.db2.gz MPMDXUDCKUMFEH-AOOOYVTPSA-N 1 2 220.320 2.286 10 0 BEAELO Cc1nocc1C[NH2+][C@@H]1COc2ccccc21 ZINC000293673490 180509060 /nfs/dbraw/zinc/50/90/60/180509060.db2.gz UYHNFUVFRNUPTB-GFCCVEGCSA-N 1 2 230.267 2.206 10 0 BEAELO C[NH2+][C@H](c1cscn1)c1cc(C)ns1 ZINC000306682178 350838198 /nfs/dbraw/zinc/83/81/98/350838198.db2.gz QKIDUBXCBXZAOO-SECBINFHSA-N 1 2 225.342 2.217 10 0 BEAELO CCc1cnc([C@@H]2[NH2+]CCS2)s1 ZINC000306748881 350934689 /nfs/dbraw/zinc/93/46/89/350934689.db2.gz JUDUYUNNDLQMNA-SSDOTTSWSA-N 1 2 200.332 2.041 10 0 BEAELO CC(C)[N@@H+]1CCCCC[C@H]1c1nc[nH]n1 ZINC000616620336 350938235 /nfs/dbraw/zinc/93/82/35/350938235.db2.gz HGOALQIIIDJFPU-JTQLQIEISA-N 1 2 208.309 2.130 10 0 BEAELO CC(C)[N@H+]1CCCCC[C@H]1c1nc[nH]n1 ZINC000616620336 350938238 /nfs/dbraw/zinc/93/82/38/350938238.db2.gz HGOALQIIIDJFPU-JTQLQIEISA-N 1 2 208.309 2.130 10 0 BEAELO Cc1csc([C@@H]2[NH2+][C@H](C)CS2)n1 ZINC000159620543 350953329 /nfs/dbraw/zinc/95/33/29/350953329.db2.gz UYQCUIJCYAOLLK-HTRCEHHLSA-N 1 2 200.332 2.175 10 0 BEAELO FC(F)(F)O[C@@H]1[NH2+]CCc2ccccc21 ZINC000616676871 351241514 /nfs/dbraw/zinc/24/15/14/351241514.db2.gz QOSUVYHTYRBJPE-VIFPVBQESA-N 1 2 217.190 2.367 10 0 BEAELO C[N@@H+]1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616676888 351241668 /nfs/dbraw/zinc/24/16/68/351241668.db2.gz CJHFKMGRZHOULQ-GFCCVEGCSA-N 1 2 214.268 2.252 10 0 BEAELO C[N@H+]1CCc2ccccc2[C@@H]1c1ncco1 ZINC000616676888 351241670 /nfs/dbraw/zinc/24/16/70/351241670.db2.gz CJHFKMGRZHOULQ-GFCCVEGCSA-N 1 2 214.268 2.252 10 0 BEAELO CCN1C[C@H](c2c[nH+]c[nH]2)Nc2ccccc21 ZINC000616681985 351252210 /nfs/dbraw/zinc/25/22/10/351252210.db2.gz CXOVQVDENDBKMY-GFCCVEGCSA-N 1 2 228.299 2.403 10 0 BEAELO CCN1C[C@H](c2c[nH]c[nH+]2)Nc2ccccc21 ZINC000616681985 351252211 /nfs/dbraw/zinc/25/22/11/351252211.db2.gz CXOVQVDENDBKMY-GFCCVEGCSA-N 1 2 228.299 2.403 10 0 BEAELO C[C@@H]1CC[NH2+][C@@H](c2ccns2)S1 ZINC000404432631 351448990 /nfs/dbraw/zinc/44/89/90/351448990.db2.gz CCAPSRDGCTYCPD-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO Cc1ncc([C@@H]2[NH2+]C[C@H](C)CS2)s1 ZINC000307169441 351544892 /nfs/dbraw/zinc/54/48/92/351544892.db2.gz YFWPMICUMAYIDN-IMTBSYHQSA-N 1 2 214.359 2.423 10 0 BEAELO FC(F)C[NH2+]CCOCc1ccccc1 ZINC000307171682 351560383 /nfs/dbraw/zinc/56/03/83/351560383.db2.gz BHAXGIQHPCLUGY-UHFFFAOYSA-N 1 2 215.243 2.058 10 0 BEAELO C[C@@H](NC1=[NH+][C@H](C)CS1)C(F)(F)F ZINC000307286656 351852636 /nfs/dbraw/zinc/85/26/36/351852636.db2.gz RSVDZFPNEVTOMQ-RFZPGFLSSA-N 1 2 212.240 2.018 10 0 BEAELO CCc1nc([C@H]2[NH2+]CCS2)cs1 ZINC000307330879 352047411 /nfs/dbraw/zinc/04/74/11/352047411.db2.gz OELXCOKMUGHHBE-QMMMGPOBSA-N 1 2 200.332 2.041 10 0 BEAELO CC(C)N(CC(F)(F)F)c1ccc(CO)c[nH+]1 ZINC000042779300 188294821 /nfs/dbraw/zinc/29/48/21/188294821.db2.gz MRWKDEZUANDEGM-UHFFFAOYSA-N 1 2 248.248 2.351 10 0 BEAELO c1ccc(N2CC3(CCC3)[C@H]3COC[C@H]32)[nH+]c1 ZINC000334727552 354527859 /nfs/dbraw/zinc/52/78/59/354527859.db2.gz LINITZYMFMQAPF-NWDGAFQWSA-N 1 2 230.311 2.087 10 0 BEAELO [NH2+]=Cc1ncc(Br)c2cc[nH]c21 ZINC000089212973 181208004 /nfs/dbraw/zinc/20/80/04/181208004.db2.gz BZTRWGZEKVXBBI-UHFFFAOYSA-N 1 2 224.061 2.323 10 0 BEAELO CCn1cc[nH+]c1CSc1nc(C)co1 ZINC000188365892 357529037 /nfs/dbraw/zinc/52/90/37/357529037.db2.gz TVSIRAAFZYQMRF-UHFFFAOYSA-N 1 2 223.301 2.492 10 0 BEAELO CCn1ncnc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000193350477 357878963 /nfs/dbraw/zinc/87/89/63/357878963.db2.gz KOXQLCBGLBSFEK-NSHDSACASA-N 1 2 246.314 2.228 10 0 BEAELO CCn1ncnc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000193350477 357878967 /nfs/dbraw/zinc/87/89/67/357878967.db2.gz KOXQLCBGLBSFEK-NSHDSACASA-N 1 2 246.314 2.228 10 0 BEAELO CN1c2cc(-c3c[nH]c[nH+]3)ccc2C(C)(C)C1=O ZINC000584625829 358294745 /nfs/dbraw/zinc/29/47/45/358294745.db2.gz YMRYJUZEPWHJLU-UHFFFAOYSA-N 1 2 241.294 2.331 10 0 BEAELO Cc1c[nH+]c(CO)cc1OCc1ccccc1 ZINC000584629110 358298495 /nfs/dbraw/zinc/29/84/95/358298495.db2.gz CGNLVPKMDTYYIV-UHFFFAOYSA-N 1 2 229.279 2.461 10 0 BEAELO Cc1noc(C)c1C[NH2+][C@@H](C)c1nccnc1C ZINC000219111380 134274853 /nfs/dbraw/zinc/27/48/53/134274853.db2.gz RHOKUFMTWJHNEO-JTQLQIEISA-N 1 2 246.314 2.241 10 0 BEAELO CCCCC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131326320 358671330 /nfs/dbraw/zinc/67/13/30/358671330.db2.gz ONDZQAXRDAZSTN-UHFFFAOYSA-N 1 2 237.347 2.346 10 0 BEAELO COc1cccc(F)c1[C@H](C)[NH2+]Cc1cc[nH]n1 ZINC000134773504 358805274 /nfs/dbraw/zinc/80/52/74/358805274.db2.gz GKJLIXXVLMYNND-VIFPVBQESA-N 1 2 249.289 2.408 10 0 BEAELO C[C@@H]1CCC[N@@H+]1Cc1cc(Br)no1 ZINC000306299068 359545194 /nfs/dbraw/zinc/54/51/94/359545194.db2.gz DTEIARPFSAKHRH-SSDOTTSWSA-N 1 2 245.120 2.421 10 0 BEAELO C[C@@H]1CCC[N@H+]1Cc1cc(Br)no1 ZINC000306299068 359545197 /nfs/dbraw/zinc/54/51/97/359545197.db2.gz DTEIARPFSAKHRH-SSDOTTSWSA-N 1 2 245.120 2.421 10 0 BEAELO C[C@@H](Nc1cc[nH+]cc1F)[C@@H]1CCCO1 ZINC000309158763 491145685 /nfs/dbraw/zinc/14/56/85/491145685.db2.gz YEQDFVHQGQWOQH-KCJUWKMLSA-N 1 2 210.252 2.200 10 0 BEAELO Cc1ccc(F)cc1C[NH+]1CC(O)(C2CC2)C1 ZINC000097855169 360381624 /nfs/dbraw/zinc/38/16/24/360381624.db2.gz SMZSHMUUBQRZGR-UHFFFAOYSA-N 1 2 235.302 2.091 10 0 BEAELO CN(Cc1ccccc1)c1cc(CO)cc[nH+]1 ZINC000040864275 360627327 /nfs/dbraw/zinc/62/73/27/360627327.db2.gz NTBCADCIBSTAKS-UHFFFAOYSA-N 1 2 228.295 2.210 10 0 BEAELO CCCc1[nH+]ccn1-c1ccnc(Cl)n1 ZINC000069964310 361229624 /nfs/dbraw/zinc/22/96/24/361229624.db2.gz CODJBLFINLGPMJ-UHFFFAOYSA-N 1 2 222.679 2.268 10 0 BEAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000162457747 361352529 /nfs/dbraw/zinc/35/25/29/361352529.db2.gz SPWJNQNXPKGTFI-SECBINFHSA-N 1 2 234.303 2.119 10 0 BEAELO Cc1c(C[NH2+][C@H]2CCCC2(F)F)cnn1C ZINC000309910390 491158030 /nfs/dbraw/zinc/15/80/30/491158030.db2.gz MJZSDWGBQKRYAW-JTQLQIEISA-N 1 2 229.274 2.006 10 0 BEAELO C[C@H]1CCC[C@H](CC[N@@H+]2CCC(=O)C2)C1 ZINC000070532643 361531523 /nfs/dbraw/zinc/53/15/23/361531523.db2.gz MYQNFOKMYVROSQ-NWDGAFQWSA-N 1 2 209.333 2.478 10 0 BEAELO C[C@H]1CCC[C@H](CC[N@H+]2CCC(=O)C2)C1 ZINC000070532643 361531528 /nfs/dbraw/zinc/53/15/28/361531528.db2.gz MYQNFOKMYVROSQ-NWDGAFQWSA-N 1 2 209.333 2.478 10 0 BEAELO CCC(C)(C)[C@@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000725268687 541338604 /nfs/dbraw/zinc/33/86/04/541338604.db2.gz YIXJRVSOJXBPBZ-CHWSQXEVSA-N 1 2 234.343 2.403 10 0 BEAELO CC(C)c1nnc(C[N@@H+]2CCS[C@@H](C)C2)o1 ZINC000171686104 365226137 /nfs/dbraw/zinc/22/61/37/365226137.db2.gz MNSMKFDREQEGBS-VIFPVBQESA-N 1 2 241.360 2.130 10 0 BEAELO CC(C)c1nnc(C[N@H+]2CCS[C@@H](C)C2)o1 ZINC000171686104 365226140 /nfs/dbraw/zinc/22/61/40/365226140.db2.gz MNSMKFDREQEGBS-VIFPVBQESA-N 1 2 241.360 2.130 10 0 BEAELO Cc1nc([C@@H]([NH3+])c2cncs2)sc1C ZINC000161499859 369121459 /nfs/dbraw/zinc/12/14/59/369121459.db2.gz LXLPAJUOTQBLMY-QMMMGPOBSA-N 1 2 225.342 2.265 10 0 BEAELO CC[C@]1(C)N(O)C(C)(C)C(c2ccccc2)=[N+]1O ZINC000225399475 370527657 /nfs/dbraw/zinc/52/76/57/370527657.db2.gz SZHGOOBWVGXSFK-AWEZNQCLSA-N 1 2 249.334 2.487 10 0 BEAELO C[C@H]1C[C@H](C)[NH+]1Cc1cc(Br)no1 ZINC000307622779 372133103 /nfs/dbraw/zinc/13/31/03/372133103.db2.gz HDAJTJTUKYQQHA-BQBZGAKWSA-N 1 2 245.120 2.420 10 0 BEAELO C[C@@H](Nc1nsnc1Cl)c1[nH]cc[nH+]1 ZINC000229339850 372143592 /nfs/dbraw/zinc/14/35/92/372143592.db2.gz CDLHCAHAWNVPOD-SCSAIBSYSA-N 1 2 229.696 2.088 10 0 BEAELO C[C@@H](Nc1cc(Cl)ncn1)c1[nH]cc[nH+]1 ZINC000229338815 372144458 /nfs/dbraw/zinc/14/44/58/372144458.db2.gz TVEJJSJYEZWDLK-ZCFIWIBFSA-N 1 2 223.667 2.026 10 0 BEAELO O=C1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000021994615 182845883 /nfs/dbraw/zinc/84/58/83/182845883.db2.gz GQRADTVKEIYYAK-LBPRGKRZSA-N 1 2 212.252 2.253 10 0 BEAELO O=c1ccoc2cc(Cn3cc[nH+]c3)ccc12 ZINC000013861991 183007119 /nfs/dbraw/zinc/00/71/19/183007119.db2.gz KLOFOSXNENLIKT-UHFFFAOYSA-N 1 2 226.235 2.038 10 0 in-vivo BEAELO OC1CCC([NH2+]c2ccc3c(c2)CCO3)CC1 ZINC000236488115 183028511 /nfs/dbraw/zinc/02/85/11/183028511.db2.gz WSOZZKDEIMQEHK-UHFFFAOYSA-N 1 2 233.311 2.337 10 0 BEAELO O[C@@H](Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000041250457 183184760 /nfs/dbraw/zinc/18/47/60/183184760.db2.gz NJNALFLADACWBW-ZETCQYMHSA-N 1 2 228.704 2.332 10 0 BEAELO O[C@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000238714770 183228826 /nfs/dbraw/zinc/22/88/26/183228826.db2.gz SSFJOXFHWQTMIK-LBPRGKRZSA-N 1 2 200.241 2.185 10 0 BEAELO O[C@H]1CCCC[C@H]1CNc1cccc[nH+]1 ZINC000077208286 183232400 /nfs/dbraw/zinc/23/24/00/183232400.db2.gz XYUQNZIYORXHSP-QWRGUYRKSA-N 1 2 206.289 2.045 10 0 BEAELO Oc1ccc2c(c1)OC[C@@H]2[NH2+]Cc1cscn1 ZINC000104435127 183281418 /nfs/dbraw/zinc/28/14/18/183281418.db2.gz UODKHPAIKVPXDH-NSHDSACASA-N 1 2 248.307 2.072 10 0 BEAELO CCC[NH2+][C@H](CCOC(C)(C)CC)C(=O)OC ZINC000062543154 169289454 /nfs/dbraw/zinc/28/94/54/169289454.db2.gz BTPOCNISGDVYCG-LLVKDONJSA-N 1 2 245.363 2.123 10 0 BEAELO CCCNc1cc(CC)[nH+]c([C@H]2CCOC2)n1 ZINC000051691631 169293464 /nfs/dbraw/zinc/29/34/64/169293464.db2.gz GGYWPFOUHDGXMR-JTQLQIEISA-N 1 2 235.331 2.365 10 0 BEAELO CCC[NH2+][C@]1(C(=O)OC)CCc2ccccc2C1 ZINC000037515818 169293747 /nfs/dbraw/zinc/29/37/47/169293747.db2.gz FQIVXAOJIMSHJM-OAHLLOKOSA-N 1 2 247.338 2.087 10 0 BEAELO CCCNc1cc[nH+]c(C2CCOCC2)n1 ZINC000052177264 169295966 /nfs/dbraw/zinc/29/59/66/169295966.db2.gz RQTKJDMXDGSTGU-UHFFFAOYSA-N 1 2 221.304 2.193 10 0 BEAELO CCN(CC)c1cc(COC)cc2[nH+]ccn21 ZINC000089202360 383943680 /nfs/dbraw/zinc/94/36/80/383943680.db2.gz IOMFVZOJQDEOAE-UHFFFAOYSA-N 1 2 233.315 2.327 10 0 BEAELO Nc1[nH+]cc(C(F)(F)F)c2cc[nH]c21 ZINC000089212987 383949765 /nfs/dbraw/zinc/94/97/65/383949765.db2.gz NOQCPVOZSJUYNR-UHFFFAOYSA-N 1 2 201.151 2.164 10 0 BEAELO CCOc1ccccc1[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC000296307618 384035633 /nfs/dbraw/zinc/03/56/33/384035633.db2.gz NEKGHYPUVCDBMP-SNVBAGLBSA-N 1 2 246.314 2.054 10 0 BEAELO COc1cc(Cl)cc(-c2cc(N)cn[nH+]2)c1 ZINC000091366485 384123829 /nfs/dbraw/zinc/12/38/29/384123829.db2.gz MEWLPIYGHDPOJE-UHFFFAOYSA-N 1 2 235.674 2.388 10 0 BEAELO CN(C)c1ccnc(-c2cc(N(C)C)cc[nH+]2)c1 ZINC000005965417 384140952 /nfs/dbraw/zinc/14/09/52/384140952.db2.gz IHULFFMBCBEJPL-UHFFFAOYSA-N 1 2 242.326 2.276 10 0 BEAELO COC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000088162534 384233796 /nfs/dbraw/zinc/23/37/96/384233796.db2.gz AHPWAAINTFLQLH-QWRGUYRKSA-N 1 2 221.300 2.207 10 0 BEAELO CC(C)n1cc[nH+]c1C[S@@](=O)CC1CC1 ZINC000133727056 384311734 /nfs/dbraw/zinc/31/17/34/384311734.db2.gz NQNYGCBTPFGOQB-OAHLLOKOSA-N 1 2 226.345 2.123 10 0 BEAELO CCn1cc[nH+]c1CS[C@@H](C)COC ZINC000175301622 384423518 /nfs/dbraw/zinc/42/35/18/384423518.db2.gz KMPZDTYGUSIKQU-VIFPVBQESA-N 1 2 214.334 2.171 10 0 BEAELO Nc1[nH+]cnc(NCC2(C3CC3)CC2)c1Cl ZINC000236389544 384436907 /nfs/dbraw/zinc/43/69/07/384436907.db2.gz NUCSXNQQCDHHLS-UHFFFAOYSA-N 1 2 238.722 2.314 10 0 BEAELO Nc1nc[nH+]c(NCC2(C3CC3)CC2)c1Cl ZINC000236389544 384436909 /nfs/dbraw/zinc/43/69/09/384436909.db2.gz NUCSXNQQCDHHLS-UHFFFAOYSA-N 1 2 238.722 2.314 10 0 BEAELO COC(=O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000138988945 384596866 /nfs/dbraw/zinc/59/68/66/384596866.db2.gz AWPPMJHAKKFQPI-CQSZACIVSA-N 1 2 247.338 2.463 10 0 BEAELO COC(=O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000138988827 384596931 /nfs/dbraw/zinc/59/69/31/384596931.db2.gz AWPPMJHAKKFQPI-AWEZNQCLSA-N 1 2 247.338 2.463 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2[nH]ncc2C)o1 ZINC000309833344 384652371 /nfs/dbraw/zinc/65/23/71/384652371.db2.gz ZFHLTJZGIKAUCI-SNVBAGLBSA-N 1 2 219.288 2.470 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2n[nH]cc2C)o1 ZINC000309833344 384652378 /nfs/dbraw/zinc/65/23/78/384652378.db2.gz ZFHLTJZGIKAUCI-SNVBAGLBSA-N 1 2 219.288 2.470 10 0 BEAELO CC1(C)CC[N@H+](Cc2ccccc2)CC1=O ZINC000258904933 384694234 /nfs/dbraw/zinc/69/42/34/384694234.db2.gz VICGCTSVFNLVCR-UHFFFAOYSA-N 1 2 217.312 2.488 10 0 BEAELO CC1(C)CC[N@@H+](Cc2ccccc2)CC1=O ZINC000258904933 384694244 /nfs/dbraw/zinc/69/42/44/384694244.db2.gz VICGCTSVFNLVCR-UHFFFAOYSA-N 1 2 217.312 2.488 10 0 BEAELO CC(C)(C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177765205 384760717 /nfs/dbraw/zinc/76/07/17/384760717.db2.gz QDQBQHVRACQLRG-GFCCVEGCSA-N 1 2 249.358 2.310 10 0 BEAELO Cc1ncc(C[N@H+]2[C@H](C)COC[C@@H]2C)s1 ZINC000077370517 384879745 /nfs/dbraw/zinc/87/97/45/384879745.db2.gz GWYMAQHENXDJBQ-DTORHVGOSA-N 1 2 226.345 2.061 10 0 BEAELO Cc1ncc(C[N@@H+]2[C@H](C)COC[C@@H]2C)s1 ZINC000077370517 384879755 /nfs/dbraw/zinc/87/97/55/384879755.db2.gz GWYMAQHENXDJBQ-DTORHVGOSA-N 1 2 226.345 2.061 10 0 BEAELO CSc1nc(Cl)cc(-n2cc[nH+]c2)n1 ZINC000084198945 384846563 /nfs/dbraw/zinc/84/65/63/384846563.db2.gz BWKHBRATJFLINE-UHFFFAOYSA-N 1 2 226.692 2.038 10 0 BEAELO CC[C@@H](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188977431 385058078 /nfs/dbraw/zinc/05/80/78/385058078.db2.gz DWCJJHILIRCWFJ-CHWSQXEVSA-N 1 2 249.358 2.310 10 0 BEAELO C[C@@H]([NH2+][C@H]1CCCn2ncnc21)c1ccco1 ZINC000164749149 385037884 /nfs/dbraw/zinc/03/78/84/385037884.db2.gz LMVDKZQEYXSSIS-ZJUUUORDSA-N 1 2 232.287 2.057 10 0 BEAELO Cn1cc([C@@H]2CCCN2c2cccc[nH+]2)cn1 ZINC000108946217 385118320 /nfs/dbraw/zinc/11/83/20/385118320.db2.gz IWIGJSVPNSSYHF-LBPRGKRZSA-N 1 2 228.299 2.157 10 0 BEAELO COC(=O)[C@]1(C)CCC[N@@H+]1Cc1ccc(C)o1 ZINC000189993973 385203900 /nfs/dbraw/zinc/20/39/00/385203900.db2.gz GKXLHAKYRFVLFP-ZDUSSCGKSA-N 1 2 237.299 2.116 10 0 BEAELO COC(=O)[C@]1(C)CCC[N@H+]1Cc1ccc(C)o1 ZINC000189993973 385203907 /nfs/dbraw/zinc/20/39/07/385203907.db2.gz GKXLHAKYRFVLFP-ZDUSSCGKSA-N 1 2 237.299 2.116 10 0 BEAELO Cc1ccc(NC2CCC3(CC2)OCCO3)c[nH+]1 ZINC000154240312 385310117 /nfs/dbraw/zinc/31/01/17/385310117.db2.gz DUJQNMQAPNPNNT-UHFFFAOYSA-N 1 2 248.326 2.488 10 0 BEAELO Cc1cc[nH+]cc1NCC[C@H]1CCOC1 ZINC000309139353 385432347 /nfs/dbraw/zinc/43/23/47/385432347.db2.gz GTYKFDRLSZQWSX-NSHDSACASA-N 1 2 206.289 2.229 10 0 BEAELO CC(C)n1cc[nH+]c1CS[C@H](C)[C@H](C)O ZINC000266243414 386415968 /nfs/dbraw/zinc/41/59/68/386415968.db2.gz MUEKPJMPOXFYTK-VHSXEESVSA-N 1 2 228.361 2.467 10 0 BEAELO CC(C)n1cc[nH+]c1CSC[C@H](C)CO ZINC000266857745 386476889 /nfs/dbraw/zinc/47/68/89/386476889.db2.gz VHDPKGKDOCUDBW-SNVBAGLBSA-N 1 2 228.361 2.326 10 0 BEAELO CCO[C@@H](C)c1noc(C[N@@H+]2CC[C@H]2CC)n1 ZINC000330286517 386844630 /nfs/dbraw/zinc/84/46/30/386844630.db2.gz ZXYOBJNHQZBKEK-VHSXEESVSA-N 1 2 239.319 2.151 10 0 BEAELO CCO[C@@H](C)c1noc(C[N@H+]2CC[C@H]2CC)n1 ZINC000330286517 386844638 /nfs/dbraw/zinc/84/46/38/386844638.db2.gz ZXYOBJNHQZBKEK-VHSXEESVSA-N 1 2 239.319 2.151 10 0 BEAELO Cc1cc(N(C)C[C@H](O)C2CC2)nc(C(C)C)[nH+]1 ZINC000301668336 386866127 /nfs/dbraw/zinc/86/61/27/386866127.db2.gz PJMTZXRJNHAIFR-LBPRGKRZSA-N 1 2 249.358 2.116 10 0 BEAELO OCc1c[nH+]c2ccc(-c3ccccc3)cn12 ZINC000575432062 387057055 /nfs/dbraw/zinc/05/70/55/387057055.db2.gz BERLJWJLDRHXPH-UHFFFAOYSA-N 1 2 224.263 2.494 10 0 BEAELO [NH3+][C@H](c1ccc(Cl)o1)c1cncs1 ZINC000575467694 387079422 /nfs/dbraw/zinc/07/94/22/387079422.db2.gz FDSAXOJLVARLKY-MRVPVSSYSA-N 1 2 214.677 2.438 10 0 BEAELO CC(C)[C@@H](C)c1[nH+]c2n(c1CO)CCCC2 ZINC000536955260 387167800 /nfs/dbraw/zinc/16/78/00/387167800.db2.gz RGYQDGCXQLZXRZ-SNVBAGLBSA-N 1 2 222.332 2.471 10 0 BEAELO CC1(C)CC[C@H]1[NH2+]c1ccc(OCC(N)=O)cc1 ZINC000284440752 387197498 /nfs/dbraw/zinc/19/74/98/387197498.db2.gz RVWYOKSYSOKFGB-GFCCVEGCSA-N 1 2 248.326 2.151 10 0 BEAELO O[C@@H]1CC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000575601851 387369397 /nfs/dbraw/zinc/36/93/97/387369397.db2.gz GHEHQDLOWARYEX-RKDXNWHRSA-N 1 2 202.257 2.191 10 0 BEAELO CCc1cc(NCc2cccc(C)n2)nc[nH+]1 ZINC000051576878 387389149 /nfs/dbraw/zinc/38/91/49/387389149.db2.gz DOWZJDPPPOUHJC-UHFFFAOYSA-N 1 2 228.299 2.355 10 0 BEAELO CCNc1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000082686878 388041000 /nfs/dbraw/zinc/04/10/00/388041000.db2.gz PLZLHVUSHAMILV-JTQLQIEISA-N 1 2 220.320 2.145 10 0 BEAELO CCNc1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000082686878 388041005 /nfs/dbraw/zinc/04/10/05/388041005.db2.gz PLZLHVUSHAMILV-JTQLQIEISA-N 1 2 220.320 2.145 10 0 BEAELO C[C@H](CC(=O)NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000084081757 388070846 /nfs/dbraw/zinc/07/08/46/388070846.db2.gz SDDBSULWJHVSMB-SECBINFHSA-N 1 2 223.320 2.098 10 0 BEAELO C[C@H](CC(=O)NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000084081757 388070851 /nfs/dbraw/zinc/07/08/51/388070851.db2.gz SDDBSULWJHVSMB-SECBINFHSA-N 1 2 223.320 2.098 10 0 BEAELO O=C1CC[NH+](CCc2ccc(F)cc2F)CC1 ZINC000082549436 388122069 /nfs/dbraw/zinc/12/20/69/388122069.db2.gz CFWIEPWNTYBIGS-UHFFFAOYSA-N 1 2 239.265 2.172 10 0 BEAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@@H]1CCCSC1 ZINC000061575804 1172686271 /nfs/dbraw/zinc/68/62/71/1172686271.db2.gz WCLHNDNUJQBDNH-GHMZBOCLSA-N 1 2 245.388 2.059 10 0 BEAELO C[C@@H]1[C@H](C)SCCN1c1cccc[nH+]1 ZINC000301258818 132252270 /nfs/dbraw/zinc/25/22/70/132252270.db2.gz CHHIGDPWTDIUNR-ZJUUUORDSA-N 1 2 208.330 2.412 10 0 BEAELO C[C@@H]1CN(c2ccc3cc(N)ccc3[nH+]2)CCO1 ZINC000035060491 132337668 /nfs/dbraw/zinc/33/76/68/132337668.db2.gz JRWZTXLMEYGIQY-SNVBAGLBSA-N 1 2 243.310 2.042 10 0 BEAELO Cc1cc([NH3+])ccc1N1CCOC(C)(C)C1 ZINC000036231935 132341048 /nfs/dbraw/zinc/34/10/48/132341048.db2.gz BEBRUCJWSGFYRY-UHFFFAOYSA-N 1 2 220.316 2.192 10 0 BEAELO C[C@@H]1CCC[C@H](C)[N@H+]1c1ccc(N)c(C(N)=O)c1 ZINC000058479237 132368423 /nfs/dbraw/zinc/36/84/23/132368423.db2.gz YCSKTYDPNADPQM-AOOOYVTPSA-N 1 2 247.342 2.135 10 0 BEAELO C[C@@H]1CCC[C@H](C)[N@@H+]1c1ccc(N)c(C(N)=O)c1 ZINC000058479237 132368424 /nfs/dbraw/zinc/36/84/24/132368424.db2.gz YCSKTYDPNADPQM-AOOOYVTPSA-N 1 2 247.342 2.135 10 0 BEAELO C[C@H]1CCC[C@H](C)[NH+]1c1ccc(N)c(C(N)=O)c1 ZINC000058479240 132368447 /nfs/dbraw/zinc/36/84/47/132368447.db2.gz YCSKTYDPNADPQM-UWVGGRQHSA-N 1 2 247.342 2.135 10 0 BEAELO CC[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)c1[nH]cc[nH+]1 ZINC000218084904 134251785 /nfs/dbraw/zinc/25/17/85/134251785.db2.gz XTOYHJORAIQYCZ-AXFHLTTASA-N 1 2 235.331 2.413 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccn(C)c2)o1 ZINC000220950493 134314890 /nfs/dbraw/zinc/31/48/90/134314890.db2.gz CTWGKDCTCHNVOR-SNVBAGLBSA-N 1 2 219.288 2.172 10 0 BEAELO CCn1cc[nH+]c1CSCc1ccnn1C ZINC000179838167 134324514 /nfs/dbraw/zinc/32/45/14/134324514.db2.gz DUHFBAMDMCEEDQ-UHFFFAOYSA-N 1 2 236.344 2.070 10 0 BEAELO COC(=O)[C@@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000227767520 134393322 /nfs/dbraw/zinc/39/33/22/134393322.db2.gz JDXROVMABFNWOC-KWQFWETISA-N 1 2 239.340 2.350 10 0 BEAELO OC1(C2CC2)C[NH+](Cc2cccc(Cl)c2)C1 ZINC000084377056 135214838 /nfs/dbraw/zinc/21/48/38/135214838.db2.gz ZXLIRMISGSJWAP-UHFFFAOYSA-N 1 2 237.730 2.297 10 0 BEAELO CC(C)[C@@H](C)CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000081803054 135389488 /nfs/dbraw/zinc/38/94/88/135389488.db2.gz GCJOJEPGQFATGN-RYUDHWBXSA-N 1 2 249.358 2.169 10 0 BEAELO CO[C@@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301777324 397791942 /nfs/dbraw/zinc/79/19/42/397791942.db2.gz LUKYABURMBEMIP-WDEREUQCSA-N 1 2 206.289 2.451 10 0 BEAELO CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000179273952 397852521 /nfs/dbraw/zinc/85/25/21/397852521.db2.gz LJPDAQDTFMAPKT-PELKAZGASA-N 1 2 236.315 2.044 10 0 BEAELO Cc1cnn(CCNc2cc[nH+]c(C(C)C)n2)c1 ZINC000110581179 397904526 /nfs/dbraw/zinc/90/45/26/397904526.db2.gz YBIVMAVBPYCZCM-UHFFFAOYSA-N 1 2 245.330 2.217 10 0 BEAELO CC[C@@H]1CS[C@H](c2nccn2CC)[NH2+]1 ZINC000307264443 398048098 /nfs/dbraw/zinc/04/80/98/398048098.db2.gz FPXKPLXVBMAGGG-PSASIEDQSA-N 1 2 211.334 2.017 10 0 BEAELO Brc1ccc(-n2cc[nH+]c2)cn1 ZINC000072192999 166097512 /nfs/dbraw/zinc/09/75/12/166097512.db2.gz GAPFSTUPCXMZFA-UHFFFAOYSA-N 1 2 224.061 2.030 10 0 BEAELO CC(C)[NH2+]Cc1noc(Cc2ccc(F)cc2)n1 ZINC000051861213 167123342 /nfs/dbraw/zinc/12/33/42/167123342.db2.gz YTVAGFLUZCSTDW-UHFFFAOYSA-N 1 2 249.289 2.298 10 0 BEAELO CC(C)[C@@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000068376553 411305854 /nfs/dbraw/zinc/30/58/54/411305854.db2.gz YKKXHHKVZRGUSK-LLVKDONJSA-N 1 2 245.326 2.038 10 0 BEAELO CC1CCC(OC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000048633046 168167304 /nfs/dbraw/zinc/16/73/04/168167304.db2.gz OXSBVLDFGQFMBS-MCIGGMRASA-N 1 2 225.332 2.250 10 0 BEAELO Cc1cnc([C@H](C)NCc2[nH]c(C)c(C)[nH+]2)o1 ZINC000657458918 411517849 /nfs/dbraw/zinc/51/78/49/411517849.db2.gz RBDWDBKMAOPHDG-JTQLQIEISA-N 1 2 234.303 2.174 10 0 BEAELO CC[N@@H+]1C[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000309419803 170035325 /nfs/dbraw/zinc/03/53/25/170035325.db2.gz AKRMCUOWZKSCLU-AAEUAGOBSA-N 1 2 242.432 2.059 10 0 BEAELO CCNC(=O)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000042209661 170096415 /nfs/dbraw/zinc/09/64/15/170096415.db2.gz RZSXFZUSPWAZAT-JTQLQIEISA-N 1 2 243.310 2.171 10 0 BEAELO CC[NH2+][C@@H](c1cscn1)c1ccco1 ZINC000062356796 170149758 /nfs/dbraw/zinc/14/97/58/170149758.db2.gz WRJRIJKBEDOUIL-JTQLQIEISA-N 1 2 208.286 2.435 10 0 BEAELO CC[NH2+][C@@H](c1ccc(F)cc1F)c1ncccn1 ZINC000055238936 170165171 /nfs/dbraw/zinc/16/51/71/170165171.db2.gz RUTAQJIQMWVZLP-LBPRGKRZSA-N 1 2 249.264 2.454 10 0 BEAELO CC[NH2+][C@](CC)(C(=O)OCC)c1ccccc1 ZINC000037447197 170170632 /nfs/dbraw/zinc/17/06/32/170170632.db2.gz HWQNJCFYXLZGJR-AWEZNQCLSA-N 1 2 235.327 2.465 10 0 BEAELO CCNc1cc(C)[nH+]c(Cc2cccnc2)n1 ZINC000053132822 170172321 /nfs/dbraw/zinc/17/23/21/170172321.db2.gz UWMFMRKZGGSJFK-UHFFFAOYSA-N 1 2 228.299 2.203 10 0 BEAELO CCNc1[nH+]cnc(Nc2ccccc2F)c1N ZINC000040707320 170178368 /nfs/dbraw/zinc/17/83/68/170178368.db2.gz UEKVWOSKHGBENT-UHFFFAOYSA-N 1 2 247.277 2.373 10 0 BEAELO CCc1cc(CC)n(CCCn2cc[nH+]c2)n1 ZINC000131581314 411567302 /nfs/dbraw/zinc/56/73/02/411567302.db2.gz PSUOPZJQIHTFLT-UHFFFAOYSA-N 1 2 232.331 2.295 10 0 BEAELO CCOC(=O)c1c[nH+]c2ccccc2c1NC ZINC000040175694 170302062 /nfs/dbraw/zinc/30/20/62/170302062.db2.gz JGJGAWXZPQRTIY-UHFFFAOYSA-N 1 2 230.267 2.453 10 0 BEAELO CC[C@H](C)CC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188977453 171258419 /nfs/dbraw/zinc/25/84/19/171258419.db2.gz DWCJJHILIRCWFJ-QWHCGFSZSA-N 1 2 249.358 2.310 10 0 BEAELO CC[C@H](C)NC(=O)CNc1ccc([NH+](C)C)cc1 ZINC000035164842 171326141 /nfs/dbraw/zinc/32/61/41/171326141.db2.gz TWDNXDILNYEVRB-NSHDSACASA-N 1 2 249.358 2.079 10 0 BEAELO CCCc1nccnc1NCc1[nH+]ccn1CC ZINC000663259175 412402196 /nfs/dbraw/zinc/40/21/96/412402196.db2.gz QUTJRYSRBBUOGQ-UHFFFAOYSA-N 1 2 245.330 2.258 10 0 BEAELO CCc1[nH+]c2ccccc2n1[C@@H](C)C(=O)OC ZINC000006024749 172013817 /nfs/dbraw/zinc/01/38/17/172013817.db2.gz OEFNMGDHCQNSJS-VIFPVBQESA-N 1 2 232.283 2.333 10 0 BEAELO CCn1cc(C[N@@H+]2Cc3cccc(N)c3C2)cn1 ZINC000050540459 172167713 /nfs/dbraw/zinc/16/77/13/172167713.db2.gz PPGWLZSESWBGJZ-UHFFFAOYSA-N 1 2 242.326 2.001 10 0 BEAELO CCn1cc(C[N@H+]2Cc3cccc(N)c3C2)cn1 ZINC000050540459 172167717 /nfs/dbraw/zinc/16/77/17/172167717.db2.gz PPGWLZSESWBGJZ-UHFFFAOYSA-N 1 2 242.326 2.001 10 0 BEAELO CCn1cc[nH+]c1CNc1ccc(O)cc1 ZINC000051923187 172224330 /nfs/dbraw/zinc/22/43/30/172224330.db2.gz PDCROUCQPTXFLQ-UHFFFAOYSA-N 1 2 217.272 2.221 10 0 BEAELO C[N@@H+]1CCc2cc(Br)sc2C1 ZINC000039123411 173170781 /nfs/dbraw/zinc/17/07/81/173170781.db2.gz FQQVTXCIAWWSLE-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[N@H+]1CCc2cc(Br)sc2C1 ZINC000039123411 173170783 /nfs/dbraw/zinc/17/07/83/173170783.db2.gz FQQVTXCIAWWSLE-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@@H]1CCC[C@@H](C)C1 ZINC000061172125 173319223 /nfs/dbraw/zinc/31/92/23/173319223.db2.gz WMWFMPFAMFQQKO-NXEZZACHSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@@H]1CCCC[C@H]1C ZINC000061171914 173319734 /nfs/dbraw/zinc/31/97/34/173319734.db2.gz BQKAJEVCHCXMHG-NXEZZACHSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]Cc1noc([C@@H]2Cc3ccccc3S2)n1 ZINC000092234109 173399551 /nfs/dbraw/zinc/39/95/51/173399551.db2.gz BIRGDKUKYRONAB-JTQLQIEISA-N 1 2 247.323 2.179 10 0 BEAELO COC(=O)[C@H](C)[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104323520 173785622 /nfs/dbraw/zinc/78/56/22/173785622.db2.gz SKCIRDFWKSZHLI-AAEUAGOBSA-N 1 2 247.338 2.258 10 0 BEAELO COCC[N@H+]([C@H](C)C(=O)c1ccccc1)C1CC1 ZINC000042517619 174284826 /nfs/dbraw/zinc/28/48/26/174284826.db2.gz YYMPOOBPQADBFI-GFCCVEGCSA-N 1 2 247.338 2.369 10 0 BEAELO COCC[N@@H+]([C@H](C)C(=O)c1ccccc1)C1CC1 ZINC000042517619 174284828 /nfs/dbraw/zinc/28/48/28/174284828.db2.gz YYMPOOBPQADBFI-GFCCVEGCSA-N 1 2 247.338 2.369 10 0 BEAELO COc1cc([NH2+]CCc2ccncc2)ccc1N ZINC000104253595 175002522 /nfs/dbraw/zinc/00/25/22/175002522.db2.gz LTIOHALBDVHKOS-UHFFFAOYSA-N 1 2 243.310 2.327 10 0 BEAELO COc1cc2c(c(OC)c1)[NH2+]C[C@@H](C)C2 ZINC000011633226 175020394 /nfs/dbraw/zinc/02/03/94/175020394.db2.gz YQLFHIRTOHIXLX-QMMMGPOBSA-N 1 2 207.273 2.308 10 0 BEAELO COc1ccc(NCc2[nH]c[nH+]c2C)cc1 ZINC000054793934 175152050 /nfs/dbraw/zinc/15/20/50/175152050.db2.gz OLKTZKPSKFUZCF-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc(NCc2[nH+]ccn2C)cc1C ZINC000049530173 175153151 /nfs/dbraw/zinc/15/31/51/175153151.db2.gz YQVYUMQCHZYNBM-UHFFFAOYSA-N 1 2 231.299 2.349 10 0 BEAELO COc1ccccc1C[NH2+][C@H](C)c1cc[nH]n1 ZINC000037906380 175331098 /nfs/dbraw/zinc/33/10/98/175331098.db2.gz UWMQQKCALCCCFO-SNVBAGLBSA-N 1 2 231.299 2.269 10 0 BEAELO COc1ccccc1[C@@H](C)[NH2+]Cc1csnn1 ZINC000036901994 175344846 /nfs/dbraw/zinc/34/48/46/175344846.db2.gz QHSYNXSYIZZYPD-SECBINFHSA-N 1 2 249.339 2.398 10 0 BEAELO COc1ccccc1[C@H]([NH3+])c1nccs1 ZINC000058432317 175353357 /nfs/dbraw/zinc/35/33/57/175353357.db2.gz IZSDNFAZOBDBFA-JTQLQIEISA-N 1 2 220.297 2.200 10 0 BEAELO C[C@@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000035606999 175758812 /nfs/dbraw/zinc/75/88/12/175758812.db2.gz PKQQHSVUOHBJBO-VIFPVBQESA-N 1 2 202.257 2.028 10 0 BEAELO C[C@@H]1CCC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336400895 176135901 /nfs/dbraw/zinc/13/59/01/176135901.db2.gz WFBOCDXVJQAXMO-NEPJUHHUSA-N 1 2 247.342 2.052 10 0 BEAELO C[C@H](Nc1ccc(N(C)C)[nH+]c1)c1cc[nH]n1 ZINC000037907511 176933103 /nfs/dbraw/zinc/93/31/03/176933103.db2.gz QYOIVVIKOSXCCE-VIFPVBQESA-N 1 2 231.303 2.044 10 0 BEAELO C[C@H]([C@H]1CCCO1)n1c(N)[nH+]c2c1cccc2F ZINC000037421508 177032281 /nfs/dbraw/zinc/03/22/81/177032281.db2.gz VMOQBASQKFOOPV-LDYMZIIASA-N 1 2 249.289 2.498 10 0 BEAELO C[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000101417680 177165649 /nfs/dbraw/zinc/16/56/49/177165649.db2.gz BTDSRZRPAVDUQC-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000101417680 177165650 /nfs/dbraw/zinc/16/56/50/177165650.db2.gz BTDSRZRPAVDUQC-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)CC1=O ZINC000068592966 177360118 /nfs/dbraw/zinc/36/01/18/177360118.db2.gz LLKQSLKJBCYCMG-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)CC1=O ZINC000068592966 177360120 /nfs/dbraw/zinc/36/01/20/177360120.db2.gz LLKQSLKJBCYCMG-RYUDHWBXSA-N 1 2 217.312 2.486 10 0 BEAELO CC(C)(C)c1[nH+]c2n(c1CO)CCCC2 ZINC000258988355 323947736 /nfs/dbraw/zinc/94/77/36/323947736.db2.gz FRAPFSGFMCRPEB-UHFFFAOYSA-N 1 2 208.305 2.009 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)[C@H](C)C1CCOCC1 ZINC000132364043 325213189 /nfs/dbraw/zinc/21/31/89/325213189.db2.gz DQNKQHSKBAACBP-LLVKDONJSA-N 1 2 248.326 2.391 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)[C@@H](C)C1CCOCC1 ZINC000132363825 325213299 /nfs/dbraw/zinc/21/32/99/325213299.db2.gz DQNKQHSKBAACBP-NSHDSACASA-N 1 2 248.326 2.391 10 0 BEAELO Cc1c[nH+]cc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667912383 488154524 /nfs/dbraw/zinc/15/45/24/488154524.db2.gz HDTOJHBGWLIBOU-CHWSQXEVSA-N 1 2 218.300 2.369 10 0 BEAELO Cc1[nH+]cccc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667913044 488155678 /nfs/dbraw/zinc/15/56/78/488155678.db2.gz WEBRVNWJVYTVAH-YPMHNXCESA-N 1 2 218.300 2.369 10 0 BEAELO COC[C@@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757126820 582501573 /nfs/dbraw/zinc/50/15/73/582501573.db2.gz HDYFEEMAIBZOKI-SNVBAGLBSA-N 1 2 220.316 2.126 10 0 BEAELO C[C@@H]1C[C@@H]1[NH2+]c1ccc2c(c1)CCN2C ZINC000757133877 582510412 /nfs/dbraw/zinc/51/04/12/582510412.db2.gz VKNCKGVCIVOJOD-SKDRFNHKSA-N 1 2 202.301 2.499 10 0 BEAELO C[NH+](C)[C@@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000095532623 522009347 /nfs/dbraw/zinc/00/93/47/522009347.db2.gz VFIQNDAIHASCGQ-SECBINFHSA-N 1 2 247.125 2.081 10 0 BEAELO CCc1ccc([C@H](C(=O)OC)[NH+](C)C)cc1 ZINC000095532756 524041984 /nfs/dbraw/zinc/04/19/84/524041984.db2.gz NWOLVSRCATXHNQ-GFCCVEGCSA-N 1 2 221.300 2.025 10 0 BEAELO CC(C)Nc1nc[nH+]c(N2CCC(C)CC2)c1N ZINC000040708053 535291956 /nfs/dbraw/zinc/29/19/56/535291956.db2.gz MMNKOVXIEZICDZ-UHFFFAOYSA-N 1 2 249.362 2.115 10 0 BEAELO Cn1nccc1-c1cc(N)c2sccc2[nH+]1 ZINC000725257051 538060300 /nfs/dbraw/zinc/06/03/00/538060300.db2.gz HBJSHBDRLMEBOJ-UHFFFAOYSA-N 1 2 230.296 2.279 10 0 BEAELO CC(=O)[C@@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000111690416 582860985 /nfs/dbraw/zinc/86/09/85/582860985.db2.gz OKUIHXMVHJLKFZ-GFCCVEGCSA-N 1 2 236.315 2.092 10 0 BEAELO CC(=O)[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000111690416 582860986 /nfs/dbraw/zinc/86/09/86/582860986.db2.gz OKUIHXMVHJLKFZ-GFCCVEGCSA-N 1 2 236.315 2.092 10 0 BEAELO Cc1ccc([C@H](C)Nc2nc(C)[nH+]c(N)n2)s1 ZINC000201433185 582861330 /nfs/dbraw/zinc/86/13/30/582861330.db2.gz OSKVYDVEGYNBAW-ZETCQYMHSA-N 1 2 249.343 2.305 10 0 BEAELO Cc1ccc([C@H](C)Nc2nc(N)nc(C)[nH+]2)s1 ZINC000201433185 582861332 /nfs/dbraw/zinc/86/13/32/582861332.db2.gz OSKVYDVEGYNBAW-ZETCQYMHSA-N 1 2 249.343 2.305 10 0 BEAELO CCn1nc(C)c([C@H](C)[NH2+]Cc2cocn2)c1C ZINC000397921652 583113396 /nfs/dbraw/zinc/11/33/96/583113396.db2.gz 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1 2 232.287 2.056 10 0 BEAELO CNc1cc(N(C)Cc2ccc(C)o2)[nH+]cn1 ZINC000129301308 639373910 /nfs/dbraw/zinc/37/39/10/639373910.db2.gz RTBGLYOSBVFUDC-UHFFFAOYSA-N 1 2 232.287 2.056 10 0 BEAELO CC[N@@H+]1CCC[C@@H](N[C@@H]2CCc3cccnc32)C1 ZINC000226816071 640793717 /nfs/dbraw/zinc/79/37/17/640793717.db2.gz DJWZYRWAMKQSIS-ZIAGYGMSSA-N 1 2 245.370 2.143 10 0 BEAELO CC[N@H+]1CCC[C@@H](N[C@@H]2CCc3cccnc32)C1 ZINC000226816071 640793723 /nfs/dbraw/zinc/79/37/23/640793723.db2.gz DJWZYRWAMKQSIS-ZIAGYGMSSA-N 1 2 245.370 2.143 10 0 BEAELO C[C@H]([NH2+]Cc1ccoc1)c1nnc2ccccn21 ZINC000062103487 641022099 /nfs/dbraw/zinc/02/20/99/641022099.db2.gz GUECWDOOONSPFN-JTQLQIEISA-N 1 2 242.282 2.173 10 0 BEAELO CCCNc1cc(N[C@@H]2C[C@H]2C)nc[nH+]1 ZINC000087827524 641060265 /nfs/dbraw/zinc/06/02/65/641060265.db2.gz GCXUXSUJNJOVHU-RKDXNWHRSA-N 1 2 206.293 2.119 10 0 BEAELO CCCNc1cc(N[C@@H]2C[C@H]2C)[nH+]cn1 ZINC000087827524 641060268 /nfs/dbraw/zinc/06/02/68/641060268.db2.gz GCXUXSUJNJOVHU-RKDXNWHRSA-N 1 2 206.293 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204.204 2.039 10 0 BEAELO Cc1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000247506541 344296401 /nfs/dbraw/zinc/29/64/01/344296401.db2.gz MDNAHDUAFCQXLK-NEPJUHHUSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1cnc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)o1 ZINC000247506541 344296405 /nfs/dbraw/zinc/29/64/05/344296405.db2.gz MDNAHDUAFCQXLK-NEPJUHHUSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nc(N[C@H]2CCc3cc(N)ccc32)cc[nH+]1 ZINC000094093063 344326047 /nfs/dbraw/zinc/32/60/47/344326047.db2.gz OIJNJXSLHNHCCK-ZDUSSCGKSA-N 1 2 240.310 2.467 10 0 BEAELO Cc1[nH]c(CN2CCO[C@@H]3CCCC[C@H]32)[nH+]c1C ZINC000628146039 344825056 /nfs/dbraw/zinc/82/50/56/344825056.db2.gz CIQJIEHKWDRHMB-CHWSQXEVSA-N 1 2 249.358 2.170 10 0 BEAELO CC(C)(C)c1nc(N)c2c([nH+]1)CCCC2 ZINC000050846782 187295390 /nfs/dbraw/zinc/29/53/90/187295390.db2.gz WHPIKIMJHPZOKV-UHFFFAOYSA-N 1 2 205.305 2.235 10 0 BEAELO COc1cc(C)[nH+]cc1OC(F)(F)F ZINC000238384996 345037533 /nfs/dbraw/zinc/03/75/33/345037533.db2.gz CVECCDYUVKUWIW-UHFFFAOYSA-N 1 2 207.151 2.297 10 0 BEAELO Nc1c(Cl)c[nH+]cc1OC(F)(F)F ZINC000238680231 345108432 /nfs/dbraw/zinc/10/84/32/345108432.db2.gz FVCILZMDFZIDEG-UHFFFAOYSA-N 1 2 212.558 2.216 10 0 BEAELO CCNc1cc(SC2COC2)cc[nH+]1 ZINC000227674847 345264235 /nfs/dbraw/zinc/26/42/35/345264235.db2.gz GAYHZXCHBDLNDK-UHFFFAOYSA-N 1 2 210.302 2.004 10 0 BEAELO Nc1ccc2nc(Cn3cc[nH+]c3)ccc2c1 ZINC000136267663 345810457 /nfs/dbraw/zinc/81/04/57/345810457.db2.gz UZWQGJHWUGPRNJ-UHFFFAOYSA-N 1 2 224.267 2.062 10 0 BEAELO CC(C)(C)c1cn2c([nH+]1)[C@@H](CO)CCC2 ZINC000258223625 345781070 /nfs/dbraw/zinc/78/10/70/345781070.db2.gz GRBZLQNJNJLCRL-SECBINFHSA-N 1 2 208.305 2.050 10 0 BEAELO CCOC(=O)[C@H](CC(C)C)n1cc[nH+]c1 ZINC000034563306 345832208 /nfs/dbraw/zinc/83/22/08/345832208.db2.gz DJVZFXICSBDTCR-JTQLQIEISA-N 1 2 210.277 2.033 10 0 BEAELO CC1(C)C(c2ccccc2)=[N+](O)C(C)(C)N1O ZINC000575125159 346035531 /nfs/dbraw/zinc/03/55/31/346035531.db2.gz GJGWFENFVBFFEZ-UHFFFAOYSA-N 1 2 235.307 2.097 10 0 BEAELO OCc1ccc(-n2cc[nH+]c2)cc1Cl ZINC000236518365 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CC(=O)Nc1ccc(C)c(NCc2[nH]cc[nH+]2)c1 ZINC000049715352 188299108 /nfs/dbraw/zinc/29/91/08/188299108.db2.gz PMZUOIGTVWZRKW-UHFFFAOYSA-N 1 2 244.298 2.289 10 0 BEAELO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309754876 188346794 /nfs/dbraw/zinc/34/67/94/188346794.db2.gz HJFAZQBRCUFAIE-ONGXEEELSA-N 1 2 237.372 2.271 10 0 BEAELO NC(=[NH2+])c1nccnc1Sc1ccc(F)cc1 ZINC000054381058 181197494 /nfs/dbraw/zinc/19/74/94/181197494.db2.gz VKQYPHKMEUOIRL-UHFFFAOYSA-N 1 2 248.286 2.051 10 0 BEAELO O[C@H]1CCC[C@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000613537820 363479313 /nfs/dbraw/zinc/47/93/13/363479313.db2.gz JIWFSKGSEFHCIU-STQMWFEESA-N 1 2 242.322 2.372 10 0 BEAELO C[C@@H](O)CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026474102 363535711 /nfs/dbraw/zinc/53/57/11/363535711.db2.gz FKHULXLAMAWWST-ZCFIWIBFSA-N 1 2 225.679 2.009 10 0 BEAELO C[C@@H](O)CNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000026474102 363535716 /nfs/dbraw/zinc/53/57/16/363535716.db2.gz FKHULXLAMAWWST-ZCFIWIBFSA-N 1 2 225.679 2.009 10 0 BEAELO Cc1cn2cc(NC(=O)c3ccco3)ccc2[nH+]1 ZINC000041305075 358508410 /nfs/dbraw/zinc/50/84/10/358508410.db2.gz LPGMSNVDDLSTDK-UHFFFAOYSA-N 1 2 241.250 2.488 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccncc2)o1 ZINC000230641971 357543659 /nfs/dbraw/zinc/54/36/59/357543659.db2.gz VRAILVOEZCXPPY-JTQLQIEISA-N 1 2 217.272 2.229 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2cncc(F)c2)o1 ZINC000230955271 357585962 /nfs/dbraw/zinc/58/59/62/357585962.db2.gz RNYYNAIAUACNRG-SECBINFHSA-N 1 2 235.262 2.368 10 0 BEAELO CC(C)[C@H]1CC(=O)C[N@@H+]1Cc1ccccc1 ZINC000685939326 538886334 /nfs/dbraw/zinc/88/63/34/538886334.db2.gz WYLPOMVDDGPWIQ-CQSZACIVSA-N 1 2 217.312 2.486 10 0 BEAELO CC(C)[C@H]1CC(=O)C[N@H+]1Cc1ccccc1 ZINC000685939326 538886337 /nfs/dbraw/zinc/88/63/37/538886337.db2.gz WYLPOMVDDGPWIQ-CQSZACIVSA-N 1 2 217.312 2.486 10 0 BEAELO FC(F)C(F)(F)CNc1cccc[nH+]1 ZINC000230711792 358410237 /nfs/dbraw/zinc/41/02/37/358410237.db2.gz XEPXZFJJKGDJPC-UHFFFAOYSA-N 1 2 208.158 2.394 10 0 BEAELO C[C@H]([NH2+][C@@H](C)c1nccn1C)c1ccoc1 ZINC000132319267 491132251 /nfs/dbraw/zinc/13/22/51/491132251.db2.gz AUHCHJKZVZDBIN-UWVGGRQHSA-N 1 2 219.288 2.425 10 0 BEAELO CC(C)CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131451073 358676410 /nfs/dbraw/zinc/67/64/10/358676410.db2.gz IMIZXIZNROZUHX-UHFFFAOYSA-N 1 2 237.347 2.201 10 0 BEAELO COc1ncc([C@H]2[NH2+]C[C@@H](C)CS2)s1 ZINC000306158101 358953177 /nfs/dbraw/zinc/95/31/77/358953177.db2.gz DECCUPOPWKMGFQ-SVRRBLITSA-N 1 2 230.358 2.123 10 0 BEAELO O=C1CCC[C@@H]1CC[N@H+]1CCC(F)(F)C1 ZINC000306189245 359005597 /nfs/dbraw/zinc/00/55/97/359005597.db2.gz IQQPWUKCFICEGF-SECBINFHSA-N 1 2 217.259 2.087 10 0 BEAELO O=C1CCC[C@@H]1CC[N@@H+]1CCC(F)(F)C1 ZINC000306189245 359005601 /nfs/dbraw/zinc/00/56/01/359005601.db2.gz IQQPWUKCFICEGF-SECBINFHSA-N 1 2 217.259 2.087 10 0 BEAELO [NH3+][C@H](c1cnns1)c1ccsc1Cl ZINC000306216117 359322561 /nfs/dbraw/zinc/32/25/61/359322561.db2.gz BMLHHPZILIZJFE-LURJTMIESA-N 1 2 231.733 2.301 10 0 BEAELO Clc1nc2c(s1)C[N@@H+](C1CC1)CC2 ZINC000306438451 359949350 /nfs/dbraw/zinc/94/93/50/359949350.db2.gz GKLVBFVWKLZENX-UHFFFAOYSA-N 1 2 214.721 2.317 10 0 BEAELO Clc1nc2c(s1)C[N@H+](C1CC1)CC2 ZINC000306438451 359949353 /nfs/dbraw/zinc/94/93/53/359949353.db2.gz GKLVBFVWKLZENX-UHFFFAOYSA-N 1 2 214.721 2.317 10 0 BEAELO c1csc([C@@H]2C[N@H+](Cc3cc[nH]c3)CCO2)n1 ZINC000092831702 360202307 /nfs/dbraw/zinc/20/23/07/360202307.db2.gz GUNVNSMBXFLMRA-NSHDSACASA-N 1 2 249.339 2.045 10 0 BEAELO c1csc([C@@H]2C[N@@H+](Cc3cc[nH]c3)CCO2)n1 ZINC000092831702 360202314 /nfs/dbraw/zinc/20/23/14/360202314.db2.gz GUNVNSMBXFLMRA-NSHDSACASA-N 1 2 249.339 2.045 10 0 BEAELO c1coc([C@@H]2CCC[N@H+]2Cc2cc[nH]n2)c1 ZINC000093335436 360232420 /nfs/dbraw/zinc/23/24/20/360232420.db2.gz RLIHVHWKGWCHQF-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cc[nH]n2)c1 ZINC000093335436 360232421 /nfs/dbraw/zinc/23/24/21/360232421.db2.gz RLIHVHWKGWCHQF-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO [NH3+][C@H](c1ccns1)c1ccc(Cl)cn1 ZINC000306582813 360483803 /nfs/dbraw/zinc/48/38/03/360483803.db2.gz PJELPKJWIGFWKS-VIFPVBQESA-N 1 2 225.704 2.240 10 0 BEAELO CC(C)n1nccc1[C@H]1[NH2+]CCCS1 ZINC000306596284 360517546 /nfs/dbraw/zinc/51/75/46/360517546.db2.gz MHFNAVUHOBXHDA-JTQLQIEISA-N 1 2 211.334 2.189 10 0 BEAELO CCn1cc[nH+]c1CSC[C@@H](C)OC ZINC000181111384 366785493 /nfs/dbraw/zinc/78/54/93/366785493.db2.gz XGHZOJQVFRNEBD-SECBINFHSA-N 1 2 214.334 2.171 10 0 BEAELO Cc1cn(-c2ccc3[nH]c(=O)ccc3c2)c[nH+]1 ZINC000117468241 368343283 /nfs/dbraw/zinc/34/32/83/368343283.db2.gz YVTSPMRYKMZZCA-UHFFFAOYSA-N 1 2 225.251 2.022 10 0 BEAELO Cc1nc([C@@H]([NH3+])c2nccs2)sc1C ZINC000161500102 369120832 /nfs/dbraw/zinc/12/08/32/369120832.db2.gz ZAPNJDZMQNARIJ-ZETCQYMHSA-N 1 2 225.342 2.265 10 0 BEAELO CCN1c2ccccc2NC[C@@H]1c1c[nH+]c[nH]1 ZINC000616691379 369113194 /nfs/dbraw/zinc/11/31/94/369113194.db2.gz IWLRXRLZEWEFIU-CYBMUJFWSA-N 1 2 228.299 2.403 10 0 BEAELO CCN1c2ccccc2NC[C@@H]1c1c[nH]c[nH+]1 ZINC000616691379 369113199 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/nfs/dbraw/zinc/37/25/54/169372554.db2.gz UKAGKCBMWJZPCX-MRVPVSSYSA-N 1 2 223.345 2.316 10 0 BEAELO Nc1cc(Cc2ccsc2)[nH+]c(C2CC2)n1 ZINC000575622628 383878000 /nfs/dbraw/zinc/87/80/00/383878000.db2.gz YWQDLVQYLFCVNK-UHFFFAOYSA-N 1 2 231.324 2.419 10 0 BEAELO Cc1csc(C[NH+]2[C@@H](C)COC[C@@H]2C)n1 ZINC000088601508 383914450 /nfs/dbraw/zinc/91/44/50/383914450.db2.gz WVZCOCDEICJDJH-UWVGGRQHSA-N 1 2 226.345 2.061 10 0 BEAELO Cc1nc(C[NH+]2[C@@H](C)COC[C@@H]2C)sc1C ZINC000088601512 383915326 /nfs/dbraw/zinc/91/53/26/383915326.db2.gz ZVSYHOBKWBCOOM-IUCAKERBSA-N 1 2 240.372 2.369 10 0 BEAELO Cc1[nH+]c(-c2ccccc2)c2c(N)nccn12 ZINC000089195592 383941874 /nfs/dbraw/zinc/94/18/74/383941874.db2.gz ACWHIHHOVGBJNA-UHFFFAOYSA-N 1 2 224.267 2.287 10 0 BEAELO COC(=O)[C@H]([NH2+][C@@H](C)c1cccs1)C1CC1 ZINC000227767524 134393218 /nfs/dbraw/zinc/39/32/18/134393218.db2.gz JDXROVMABFNWOC-GZMMTYOYSA-N 1 2 239.340 2.350 10 0 BEAELO COC(=O)[C@H]1CC[C@@H](c2ccc(C)cc2)C[NH2+]1 ZINC000079026365 384478928 /nfs/dbraw/zinc/47/89/28/384478928.db2.gz YRQYNUYPGNPAHW-CHWSQXEVSA-N 1 2 233.311 2.004 10 0 BEAELO COc1cc(C)c(NCc2[nH]cc[nH+]2)cc1OC ZINC000049715154 384561170 /nfs/dbraw/zinc/56/11/70/384561170.db2.gz IGXLRMJFBDNUQB-UHFFFAOYSA-N 1 2 247.298 2.347 10 0 BEAELO O=Cc1ccc(OCCNc2cccc[nH+]2)cc1 ZINC000022066182 384725994 /nfs/dbraw/zinc/72/59/94/384725994.db2.gz JVWGQRVBARRDQQ-UHFFFAOYSA-N 1 2 242.278 2.385 10 0 in-vitro BEAELO CCOCC[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125311180 384709702 /nfs/dbraw/zinc/70/97/02/384709702.db2.gz RJKXKWNAFZUUMJ-LBPRGKRZSA-N 1 2 241.356 2.158 10 0 BEAELO CCOCC[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125311180 384709710 /nfs/dbraw/zinc/70/97/10/384709710.db2.gz RJKXKWNAFZUUMJ-LBPRGKRZSA-N 1 2 241.356 2.158 10 0 BEAELO Nc1cc2cc([C@H](O)c3ccccc3)[nH]c2c[nH+]1 ZINC000142943127 384714145 /nfs/dbraw/zinc/71/41/45/384714145.db2.gz CLVLWBCTRRHLSX-CQSZACIVSA-N 1 2 239.278 2.227 10 0 BEAELO O=C(C1CCCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177765154 384759283 /nfs/dbraw/zinc/75/92/83/384759283.db2.gz LZYNYEFZEPSOGO-CYBMUJFWSA-N 1 2 247.342 2.064 10 0 BEAELO CO[C@@H]1CCC[C@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301761981 384933262 /nfs/dbraw/zinc/93/32/62/384933262.db2.gz GITLNZSHRLYLEF-WDEREUQCSA-N 1 2 221.304 2.155 10 0 BEAELO CCC(CC)[S@@](=O)Cc1[nH+]ccn1CC ZINC000177295332 384944896 /nfs/dbraw/zinc/94/48/96/384944896.db2.gz QSNSJALPRYVSOJ-HNNXBMFYSA-N 1 2 228.361 2.340 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)[C@@H](C)C(C)C ZINC000177296121 384946395 /nfs/dbraw/zinc/94/63/95/384946395.db2.gz NDRAOQJHIPGCDA-ZUZCIYMTSA-N 1 2 228.361 2.196 10 0 BEAELO Nc1[nH+]cccc1OCCc1ccccc1 ZINC000020483747 384995900 /nfs/dbraw/zinc/99/59/00/384995900.db2.gz YPLUWJKJQPNWSX-UHFFFAOYSA-N 1 2 214.268 2.285 10 0 BEAELO C[C@H]1OCC[C@@H]1Nc1[nH+]c2ccccc2n1C ZINC000150079464 384962372 /nfs/dbraw/zinc/96/23/72/384962372.db2.gz BPXWHPFLSYSHSJ-ZJUUUORDSA-N 1 2 231.299 2.163 10 0 BEAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccco1 ZINC000164749039 385039144 /nfs/dbraw/zinc/03/91/44/385039144.db2.gz LMVDKZQEYXSSIS-UWVGGRQHSA-N 1 2 232.287 2.057 10 0 BEAELO CCC1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CC1 ZINC000178204007 385343313 /nfs/dbraw/zinc/34/33/13/385343313.db2.gz KXYAONCAOUODIY-NSHDSACASA-N 1 2 247.342 2.067 10 0 BEAELO Cc1cc[nH+]cc1NCC[C@@H]1CCOC1 ZINC000309139351 385432375 /nfs/dbraw/zinc/43/23/75/385432375.db2.gz GTYKFDRLSZQWSX-LLVKDONJSA-N 1 2 206.289 2.229 10 0 BEAELO c1c[nH]c(C[NH2+]Cc2ccc3ccccc3n2)n1 ZINC000112345799 385838712 /nfs/dbraw/zinc/83/87/12/385838712.db2.gz LWOZZMKIPSFCKA-UHFFFAOYSA-N 1 2 238.294 2.248 10 0 BEAELO Brc1c[nH+]ccc1N1CCCCO1 ZINC000159967725 385865449 /nfs/dbraw/zinc/86/54/49/385865449.db2.gz IZTCDWCXVHYKMO-UHFFFAOYSA-N 1 2 243.104 2.376 10 0 BEAELO COC(=O)Cc1c[nH+]c(C)cc1OC(F)(F)F ZINC000575375112 386800912 /nfs/dbraw/zinc/80/09/12/386800912.db2.gz OBOXPZKONXUWEK-UHFFFAOYSA-N 1 2 249.188 2.004 10 0 BEAELO CCCCC[C@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368486173 386979128 /nfs/dbraw/zinc/97/91/28/386979128.db2.gz MCIGLPQTWLTCQC-UWVGGRQHSA-N 1 2 248.317 2.069 10 0 BEAELO Cc1nnc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000392423364 387079621 /nfs/dbraw/zinc/07/96/21/387079621.db2.gz SMTYFGXPQGALAR-RKDXNWHRSA-N 1 2 234.303 2.426 10 0 BEAELO Cc1[nH+]c2ccccc2n1C[C@H](O)COC(C)C ZINC000005728730 387507372 /nfs/dbraw/zinc/50/73/72/387507372.db2.gz XTLLZXYZFUQTIU-LBPRGKRZSA-N 1 2 248.326 2.131 10 0 BEAELO C[C@@H]1CS[C@H](c2ccncc2Cl)[NH2+]1 ZINC000575557449 387699050 /nfs/dbraw/zinc/69/90/50/387699050.db2.gz UOQOFEGMZFVVKM-HZGVNTEJSA-N 1 2 214.721 2.459 10 0 BEAELO CCn1cc[nH+]c1CSc1ncc(C)cn1 ZINC000195517485 387922478 /nfs/dbraw/zinc/92/24/78/387922478.db2.gz YJZIOTWYPQSGPY-UHFFFAOYSA-N 1 2 234.328 2.294 10 0 BEAELO Cc1ccc2c(OCCO)cc[nH+]c2c1C ZINC000053994784 387977028 /nfs/dbraw/zinc/97/70/28/387977028.db2.gz KBTWLRRNOYYBJD-UHFFFAOYSA-N 1 2 217.268 2.223 10 0 BEAELO CCC[C@H]1C[C@H]1Nc1nc[nH+]c(N)c1Cl ZINC000233440909 388347616 /nfs/dbraw/zinc/34/76/16/388347616.db2.gz YEIQNCNOAISTEW-NKWVEPMBSA-N 1 2 226.711 2.313 10 0 BEAELO CCC[C@H]1C[C@H]1Nc1[nH+]cnc(N)c1Cl ZINC000233440909 388347618 /nfs/dbraw/zinc/34/76/18/388347618.db2.gz YEIQNCNOAISTEW-NKWVEPMBSA-N 1 2 226.711 2.313 10 0 BEAELO Cc1ccc(NC2CCC(O)CC2)c[nH+]1 ZINC000235884932 388376255 /nfs/dbraw/zinc/37/62/55/388376255.db2.gz BAUUCXOGFQJTFD-UHFFFAOYSA-N 1 2 206.289 2.105 10 0 BEAELO COC(=O)[C@H]([NH3+])c1csc2ccccc21 ZINC000039633733 388410753 /nfs/dbraw/zinc/41/07/53/388410753.db2.gz DXHBPKCPVHUXSF-SNVBAGLBSA-N 1 2 221.281 2.074 10 0 BEAELO CCSCC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081568647 388584047 /nfs/dbraw/zinc/58/40/47/388584047.db2.gz OOKHIRSJTAITJJ-JTQLQIEISA-N 1 2 247.404 2.402 10 0 BEAELO CCSCC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000081568647 388584050 /nfs/dbraw/zinc/58/40/50/388584050.db2.gz OOKHIRSJTAITJJ-JTQLQIEISA-N 1 2 247.404 2.402 10 0 BEAELO CC(C)n1cc[nH+]c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000195513690 388711587 /nfs/dbraw/zinc/71/15/87/388711587.db2.gz XRTRHUUQBWXGFJ-VXGBXAGGSA-N 1 2 237.347 2.073 10 0 BEAELO CCc1ccc2[nH+]c(N3CC(O)C3)cc(C)c2c1 ZINC000055414943 388837996 /nfs/dbraw/zinc/83/79/96/388837996.db2.gz ATOJGHHPUKLILQ-UHFFFAOYSA-N 1 2 242.322 2.287 10 0 BEAELO Clc1cnccc1[C@H]1[NH2+]CCCS1 ZINC000575472107 388850740 /nfs/dbraw/zinc/85/07/40/388850740.db2.gz RUEZKZNLOWINCC-VIFPVBQESA-N 1 2 214.721 2.460 10 0 BEAELO CC(C)(C)Nc1nc[nH+]c(N2CCCCC2)c1N ZINC000040680442 132348097 /nfs/dbraw/zinc/34/80/97/132348097.db2.gz IWSFJRHGUCENQR-UHFFFAOYSA-N 1 2 249.362 2.260 10 0 BEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000181257044 134334766 /nfs/dbraw/zinc/33/47/66/134334766.db2.gz NWJNSSWQGWGYKT-CABZTGNLSA-N 1 2 246.314 2.365 10 0 BEAELO Nc1ccc(NC(=O)c2ccc(F)cc2F)c[nH+]1 ZINC000061680497 134800561 /nfs/dbraw/zinc/80/05/61/134800561.db2.gz ZYLVHJAKNGBINE-UHFFFAOYSA-N 1 2 249.220 2.194 10 0 BEAELO CCn1cc[nH+]c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000249865099 135046594 /nfs/dbraw/zinc/04/65/94/135046594.db2.gz HSDVINUQXSHNDF-CHWSQXEVSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1ccnc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249865099 135046595 /nfs/dbraw/zinc/04/65/95/135046595.db2.gz HSDVINUQXSHNDF-CHWSQXEVSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1ccnc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000249865099 135046598 /nfs/dbraw/zinc/04/65/98/135046598.db2.gz HSDVINUQXSHNDF-CHWSQXEVSA-N 1 2 249.358 2.046 10 0 BEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1nc2ccccc2o1 ZINC000077367522 135062733 /nfs/dbraw/zinc/06/27/33/135062733.db2.gz XPLICTSRQHZLPV-QWRGUYRKSA-N 1 2 246.310 2.437 10 0 BEAELO CCC(C)(C)NC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000080511226 135379290 /nfs/dbraw/zinc/37/92/90/135379290.db2.gz NXVURRDUPXFROY-SNVBAGLBSA-N 1 2 235.331 2.065 10 0 BEAELO CO[C@H]1CCC[C@H](Nc2cccc[nH+]2)C1 ZINC000301777323 397791930 /nfs/dbraw/zinc/79/19/30/397791930.db2.gz LUKYABURMBEMIP-QWRGUYRKSA-N 1 2 206.289 2.451 10 0 BEAELO Cc1cnc(C[N@@H+]2CCS[C@@H](C)C2)s1 ZINC000180473405 397857690 /nfs/dbraw/zinc/85/76/90/397857690.db2.gz KGNQTCARKUBZRE-VIFPVBQESA-N 1 2 228.386 2.389 10 0 BEAELO Cc1cnc(C[N@H+]2CCS[C@@H](C)C2)s1 ZINC000180473405 397857692 /nfs/dbraw/zinc/85/76/92/397857692.db2.gz KGNQTCARKUBZRE-VIFPVBQESA-N 1 2 228.386 2.389 10 0 BEAELO [NH3+][C@H](c1occc1Br)C1=CCCO1 ZINC000575509703 397970598 /nfs/dbraw/zinc/97/05/98/397970598.db2.gz ZMGTZSQPBCTPIS-QMMMGPOBSA-N 1 2 244.088 2.346 10 0 BEAELO Brc1cc(C[NH+]2CCCC2)on1 ZINC000292302174 166095589 /nfs/dbraw/zinc/09/55/89/166095589.db2.gz ZVNJXTRNOTXNHK-UHFFFAOYSA-N 1 2 231.093 2.033 10 0 BEAELO Cc1ccc(CN(C)c2cc(CO)cc[nH+]2)o1 ZINC000040877780 410896465 /nfs/dbraw/zinc/89/64/65/410896465.db2.gz JJUSNDGBLWJTFN-UHFFFAOYSA-N 1 2 232.283 2.112 10 0 BEAELO CC(C)[NH2+][C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869412 167136330 /nfs/dbraw/zinc/13/63/30/167136330.db2.gz VSYZJLXMDLWBSH-JTQLQIEISA-N 1 2 244.697 2.004 10 0 BEAELO CC(C)[C@@H](C)Nc1cc(C(N)=S)cc[nH+]1 ZINC000020523602 167386121 /nfs/dbraw/zinc/38/61/21/167386121.db2.gz PYYYAIJBDRBYRT-MRVPVSSYSA-N 1 2 223.345 2.172 10 0 BEAELO C[C@@H]1CC[C@H](C)[N@H+](Cc2csnn2)C1 ZINC000127781756 411252578 /nfs/dbraw/zinc/25/25/78/411252578.db2.gz XKZIGYIRYRCFRP-BDAKNGLRSA-N 1 2 211.334 2.159 10 0 BEAELO C[C@@H]1CC[C@H](C)[N@@H+](Cc2csnn2)C1 ZINC000127781756 411252581 /nfs/dbraw/zinc/25/25/81/411252581.db2.gz XKZIGYIRYRCFRP-BDAKNGLRSA-N 1 2 211.334 2.159 10 0 BEAELO CC1CCC(OC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000048633047 168167336 /nfs/dbraw/zinc/16/73/36/168167336.db2.gz OXSBVLDFGQFMBS-HTAVTVPLSA-N 1 2 225.332 2.250 10 0 BEAELO CCC(C)(C)Nc1cc(C(N)=S)cc[nH+]1 ZINC000019519371 168302613 /nfs/dbraw/zinc/30/26/13/168302613.db2.gz VVWCAILZVCUHQF-UHFFFAOYSA-N 1 2 223.345 2.316 10 0 BEAELO Cc1c[nH]c(CN[C@H](C)c2csc(C)n2)[nH+]1 ZINC000657353118 411474090 /nfs/dbraw/zinc/47/40/90/411474090.db2.gz GAHNCHANZBMKHO-MRVPVSSYSA-N 1 2 236.344 2.334 10 0 BEAELO CC[N@@H+]1C[C@H]([NH2+]C[C@@H]2CC=CCC2)[C@@H](C)C1 ZINC000336776215 170034932 /nfs/dbraw/zinc/03/49/32/170034932.db2.gz FCWDIAMBPLHFQM-MJBXVCDLSA-N 1 2 222.376 2.273 10 0 BEAELO CC[NH2+][C@@](CC)(C(=O)OC)c1ccc(C)cc1 ZINC000037446698 170154689 /nfs/dbraw/zinc/15/46/89/170154689.db2.gz JODIGRCYGHWOEC-CQSZACIVSA-N 1 2 235.327 2.383 10 0 BEAELO CC[NH2+][C@](C)(C(=O)OCC)c1ccc(C)cc1 ZINC000037447188 170170618 /nfs/dbraw/zinc/17/06/18/170170618.db2.gz CCZMLCXILMPGRR-AWEZNQCLSA-N 1 2 235.327 2.383 10 0 BEAELO CC[NH2+][C@]1(C(=O)OCC)CCc2ccccc2C1 ZINC000037515814 170170747 /nfs/dbraw/zinc/17/07/47/170170747.db2.gz UBFHNYRZPXBIKP-OAHLLOKOSA-N 1 2 247.338 2.087 10 0 BEAELO CC[NH2+][C@](CC)(C(=O)OC)c1ccc(C)cc1 ZINC000037446699 170170793 /nfs/dbraw/zinc/17/07/93/170170793.db2.gz JODIGRCYGHWOEC-AWEZNQCLSA-N 1 2 235.327 2.383 10 0 BEAELO CCNc1nc(C2CCOCC2)[nH+]c2c1CCC2 ZINC000052177367 170175946 /nfs/dbraw/zinc/17/59/46/170175946.db2.gz OKLHGHVEZIGSBY-UHFFFAOYSA-N 1 2 247.342 2.291 10 0 BEAELO CCNc1nc([C@H]2CCOC2)[nH+]c2c1CCCC2 ZINC000051691648 170176788 /nfs/dbraw/zinc/17/67/88/170176788.db2.gz OHNPUANMFDEFKF-JTQLQIEISA-N 1 2 247.342 2.291 10 0 BEAELO CCNc1snnc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000050792460 170179098 /nfs/dbraw/zinc/17/90/98/170179098.db2.gz OFPVDRCSNBXJNA-SECBINFHSA-N 1 2 240.376 2.202 10 0 BEAELO CCNc1snnc1C[N@H+]1CCC[C@@H](C)C1 ZINC000050792460 170179099 /nfs/dbraw/zinc/17/90/99/170179099.db2.gz OFPVDRCSNBXJNA-SECBINFHSA-N 1 2 240.376 2.202 10 0 BEAELO CCOC(=[NH2+])[C@@H](O)c1cc(C)ccc1C ZINC000039135026 170180041 /nfs/dbraw/zinc/18/00/41/170180041.db2.gz DKIDUDOQODXIEF-NSHDSACASA-N 1 2 207.273 2.351 10 0 BEAELO CCOC(=[NH2+])c1ccc(OC)c(OC)c1OC ZINC000037928141 170180297 /nfs/dbraw/zinc/18/02/97/170180297.db2.gz OGNWNIGUSMGULG-UHFFFAOYSA-N 1 2 239.271 2.074 10 0 BEAELO CCOC(=O)Cc1cc(C)c(C)c(C)[nH+]1 ZINC000095768213 170235264 /nfs/dbraw/zinc/23/52/64/170235264.db2.gz MTSBOIPKCNWUHC-UHFFFAOYSA-N 1 2 207.273 2.112 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000033734783 170253979 /nfs/dbraw/zinc/25/39/79/170253979.db2.gz UODQUDLEPFWQSA-VIFPVBQESA-N 1 2 231.654 2.042 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000033769441 170254526 /nfs/dbraw/zinc/25/45/26/170254526.db2.gz JYGLQSDPYOSSFT-VIFPVBQESA-N 1 2 247.216 2.268 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000034856993 170254721 /nfs/dbraw/zinc/25/47/21/170254721.db2.gz UTEANATWINVRDV-ZDUSSCGKSA-N 1 2 229.279 2.403 10 0 BEAELO COc1cc(C[NH2+][C@H](C)c2ccc(C)o2)on1 ZINC000660257506 411560595 /nfs/dbraw/zinc/56/05/95/411560595.db2.gz SFEXFQVYUVLFIX-SECBINFHSA-N 1 2 236.271 2.435 10 0 BEAELO CCOC(=O)[C@H](CC)[NH2+]Cc1ccccc1 ZINC000037952734 170271687 /nfs/dbraw/zinc/27/16/87/170271687.db2.gz IZWBJQAUJRUHLC-LBPRGKRZSA-N 1 2 221.300 2.118 10 0 BEAELO CCOC(=O)[C@](C)([NH3+])c1cc(C)ccc1C ZINC000037459865 170284061 /nfs/dbraw/zinc/28/40/61/170284061.db2.gz YTUAQSQGRZPKTN-CYBMUJFWSA-N 1 2 221.300 2.040 10 0 BEAELO CCOC(=O)c1c[nH+]c2c(C)c(F)ccc2c1N ZINC000050843360 170302278 /nfs/dbraw/zinc/30/22/78/170302278.db2.gz GIJMBQUGFQZHDZ-UHFFFAOYSA-N 1 2 248.257 2.441 10 0 BEAELO OCC1CC(Nc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000664648474 412006821 /nfs/dbraw/zinc/00/68/21/412006821.db2.gz HATPIIQAUFZAHO-UHFFFAOYSA-N 1 2 246.232 2.283 10 0 BEAELO CC[C@H](C)[NH2+][C@]1(C(=O)OC)CCc2ccccc21 ZINC000038067037 171349931 /nfs/dbraw/zinc/34/99/31/171349931.db2.gz VNRWUAFCHIMCOR-XHDPSFHLSA-N 1 2 247.338 2.389 10 0 BEAELO CCc1ccc([C@@H]([NH3+])c2noc(CC)n2)s1 ZINC000051720806 172007983 /nfs/dbraw/zinc/00/79/83/172007983.db2.gz ODAWYQUPHBEYBT-SNVBAGLBSA-N 1 2 237.328 2.304 10 0 BEAELO CCc1nnc(C[NH2+][C@H](C)c2ccc(C)o2)n1C ZINC000182573433 172053320 /nfs/dbraw/zinc/05/33/20/172053320.db2.gz DCYKBESOCLNWKF-SNVBAGLBSA-N 1 2 248.330 2.130 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@@H]1CCCC[C@@H]1C ZINC000061171915 173319110 /nfs/dbraw/zinc/31/91/10/173319110.db2.gz BQKAJEVCHCXMHG-VHSXEESVSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@H]1CCC[C@H](C)C1 ZINC000061172123 173319746 /nfs/dbraw/zinc/31/97/46/173319746.db2.gz WMWFMPFAMFQQKO-UWVGGRQHSA-N 1 2 213.321 2.106 10 0 BEAELO COC(=O)[C@@H](CC(C)C)[NH2+][C@H]1CCCSC1 ZINC000061575806 173698055 /nfs/dbraw/zinc/69/80/55/173698055.db2.gz WCLHNDNUJQBDNH-WDEREUQCSA-N 1 2 245.388 2.059 10 0 BEAELO COCCCSc1cccc2[nH+]ccn21 ZINC000089201260 174259620 /nfs/dbraw/zinc/25/96/20/174259620.db2.gz MWQMCEDPFHHHPC-UHFFFAOYSA-N 1 2 222.313 2.463 10 0 BEAELO COCCSCc1[nH+]ccn1C(C)C ZINC000173739786 174376014 /nfs/dbraw/zinc/37/60/14/174376014.db2.gz USYXZYNMSNKWRD-UHFFFAOYSA-N 1 2 214.334 2.344 10 0 BEAELO COCc1cc(N)c2c(F)ccc(C)c2[nH+]1 ZINC000051698511 174619650 /nfs/dbraw/zinc/61/96/50/174619650.db2.gz IBOQUSFJWSTSEN-UHFFFAOYSA-N 1 2 220.247 2.411 10 0 BEAELO COc1cc2c(cc1OC)C(C)=[NH+][C@H](C)C2 ZINC000002570075 175024613 /nfs/dbraw/zinc/02/46/13/175024613.db2.gz ZOTQMAVJUAGCKD-MRVPVSSYSA-N 1 2 219.284 2.457 10 0 BEAELO COc1ccc(-c2[nH]c(C)c(C)[nH+]2)cc1N ZINC000042414858 175038792 /nfs/dbraw/zinc/03/87/92/175038792.db2.gz IHDVMOBNQAVWGZ-UHFFFAOYSA-N 1 2 217.272 2.284 10 0 BEAELO COc1ccc(-c2nc(N)cc(C)[nH+]2)cc1 ZINC000050845113 175038929 /nfs/dbraw/zinc/03/89/29/175038929.db2.gz NCRUDHHKQYUWOY-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO COc1ccc([C@@H](C)[NH+]2CCC(=O)CC2)cc1 ZINC000019728828 175176429 /nfs/dbraw/zinc/17/64/29/175176429.db2.gz OSVMGBWJDTYHNU-LLVKDONJSA-N 1 2 233.311 2.421 10 0 BEAELO COc1ccc2c(c1)[C@@H](O)[C@H](n1cc[nH+]c1)CC2 ZINC000027327116 175214216 /nfs/dbraw/zinc/21/42/16/175214216.db2.gz VVFFIGADLXLSFZ-ZIAGYGMSSA-N 1 2 244.294 2.113 10 0 BEAELO COc1cccc(C(=O)C[NH+]2CCCCC2)c1 ZINC000034981340 175242214 /nfs/dbraw/zinc/24/22/14/175242214.db2.gz GWRFLDORCDNKEZ-UHFFFAOYSA-N 1 2 233.311 2.364 10 0 BEAELO COc1ccccc1NCc1[nH+]ccn1C ZINC000036804439 175339273 /nfs/dbraw/zinc/33/92/73/175339273.db2.gz NKJKCDBVJMVDCS-UHFFFAOYSA-N 1 2 217.272 2.041 10 0 BEAELO COc1ccccc1[C@@H](C)[NH2+]Cc1nc(C)no1 ZINC000037980621 175346596 /nfs/dbraw/zinc/34/65/96/175346596.db2.gz FENOLQAJSIVUAE-SECBINFHSA-N 1 2 247.298 2.237 10 0 BEAELO COc1cccn2c(N)c(-c3ccoc3)[nH+]c12 ZINC000104361808 175356125 /nfs/dbraw/zinc/35/61/25/175356125.db2.gz AKROZWSEHKPURM-UHFFFAOYSA-N 1 2 229.239 2.185 10 0 BEAELO C[C@@H]([C@@H]1CCCO1)n1c(N)[nH+]c2c1cccc2F ZINC000037421503 176012450 /nfs/dbraw/zinc/01/24/50/176012450.db2.gz VMOQBASQKFOOPV-KWQFWETISA-N 1 2 249.289 2.498 10 0 BEAELO C[C@@H](c1cccs1)[NH+]1CCC(=O)CC1 ZINC000019728807 176033872 /nfs/dbraw/zinc/03/38/72/176033872.db2.gz AIUMAFSYHOIYID-VIFPVBQESA-N 1 2 209.314 2.474 10 0 BEAELO C[C@@H]1CCN(C(=O)[C@@H]2CCCn3cc[nH+]c32)[C@@H]1C ZINC000178153473 176160834 /nfs/dbraw/zinc/16/08/34/176160834.db2.gz OVPULGGFTWQNDX-IJLUTSLNSA-N 1 2 247.342 2.017 10 0 BEAELO C[C@@H]1C[N@H+](Cc2cc(Br)no2)[C@@H]1C ZINC000293001719 176301374 /nfs/dbraw/zinc/30/13/74/176301374.db2.gz NCKPVTNFUZGPHD-RNFRBKRXSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@@H]1C[N@@H+](Cc2cc(Br)no2)[C@@H]1C ZINC000293001719 176301375 /nfs/dbraw/zinc/30/13/75/176301375.db2.gz NCKPVTNFUZGPHD-RNFRBKRXSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@@H]1C[N@H+](Cc2cc(N)ccc2Cl)CCO1 ZINC000037403000 176301749 /nfs/dbraw/zinc/30/17/49/176301749.db2.gz WGUIAISUPKENAA-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1C[N@@H+](Cc2cc(N)ccc2Cl)CCO1 ZINC000037403000 176301751 /nfs/dbraw/zinc/30/17/51/176301751.db2.gz WGUIAISUPKENAA-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H](O)c1ccccc1NCc1[nH+]ccn1C ZINC000051924172 177017726 /nfs/dbraw/zinc/01/77/26/177017726.db2.gz AGIKLSJYZQPEIM-JTQLQIEISA-N 1 2 231.299 2.086 10 0 BEAELO C[C@H]1CCC[C@@](CO)(Nc2cccc[nH+]2)C1 ZINC000053110358 177127761 /nfs/dbraw/zinc/12/77/61/177127761.db2.gz QAGDZCOQYLGDTG-WCQYABFASA-N 1 2 220.316 2.435 10 0 BEAELO C[C@H]1CCC[C@](CO)(Nc2cccc[nH+]2)C1 ZINC000053110364 177143409 /nfs/dbraw/zinc/14/34/09/177143409.db2.gz QAGDZCOQYLGDTG-AAEUAGOBSA-N 1 2 220.316 2.435 10 0 BEAELO C[C@@H]1C(=O)[C@@H](C)CC[N@@H+]1Cc1ccccc1 ZINC000068592841 177165349 /nfs/dbraw/zinc/16/53/49/177165349.db2.gz BTDSRZRPAVDUQC-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C(=O)[C@@H](C)CC[N@H+]1Cc1ccccc1 ZINC000068592841 177165351 /nfs/dbraw/zinc/16/53/51/177165351.db2.gz BTDSRZRPAVDUQC-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1CC[NH2+][C@H](C(=O)OCc2ccccc2)C1 ZINC000002527182 177176526 /nfs/dbraw/zinc/17/65/26/177176526.db2.gz MEVXXXMYNKWKDQ-AAEUAGOBSA-N 1 2 233.311 2.118 10 0 BEAELO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442824 177262575 /nfs/dbraw/zinc/26/25/75/177262575.db2.gz MHVLPKSPZHAXMD-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442824 177262576 /nfs/dbraw/zinc/26/25/76/177262576.db2.gz MHVLPKSPZHAXMD-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO Cc1nnc(C[N@@H+]2CCC[C@H]2c2ccco2)o1 ZINC000116294306 488032929 /nfs/dbraw/zinc/03/29/29/488032929.db2.gz HJIJSINVXSWXOG-JTQLQIEISA-N 1 2 233.271 2.308 10 0 BEAELO Cc1nnc(C[N@H+]2CCC[C@H]2c2ccco2)o1 ZINC000116294306 488032937 /nfs/dbraw/zinc/03/29/37/488032937.db2.gz HJIJSINVXSWXOG-JTQLQIEISA-N 1 2 233.271 2.308 10 0 BEAELO Cc1cc[nH+]cc1N[C@H]1CO[C@H](C2CC2)C1 ZINC000667912290 488151293 /nfs/dbraw/zinc/15/12/93/488151293.db2.gz CXVZTHFSKMFAAX-YPMHNXCESA-N 1 2 218.300 2.369 10 0 BEAELO CCOC(=O)[C@@H]1CC[C@H](c2ccccc2C)[NH2+]1 ZINC000034521772 488198417 /nfs/dbraw/zinc/19/84/17/488198417.db2.gz PZAYTALJRQEWMT-OLZOCXBDSA-N 1 2 233.311 2.351 10 0 BEAELO C(c1nc(C2CCCC2)no1)[NH+]1CCCC1 ZINC000131247476 490625557 /nfs/dbraw/zinc/62/55/57/490625557.db2.gz WXKQVQHSKRRWRX-UHFFFAOYSA-N 1 2 221.304 2.323 10 0 BEAELO COC(=O)[C@H](C)SCc1[nH+]ccn1C(C)C ZINC000177241161 536639930 /nfs/dbraw/zinc/63/99/30/536639930.db2.gz HCMKXHIBRZWESQ-VIFPVBQESA-N 1 2 242.344 2.259 10 0 BEAELO Nc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC000074178335 537915793 /nfs/dbraw/zinc/91/57/93/537915793.db2.gz FDCXVZOEKARGKT-UHFFFAOYSA-N 1 2 207.664 2.167 10 0 BEAELO O=Cc1cc(Cl)ccc1-n1cc[nH+]c1 ZINC000113918047 588860006 /nfs/dbraw/zinc/86/00/06/588860006.db2.gz ZYIZBCASHMJBLX-UHFFFAOYSA-N 1 2 206.632 2.338 10 0 BEAELO CC(C)(C)OC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000231501560 585030055 /nfs/dbraw/zinc/03/00/55/585030055.db2.gz MOTKQUFMKZGIBV-GRYCIOLGSA-N 1 2 239.359 2.496 10 0 BEAELO CNc1[nH+]c(CC(C)C)nc2[nH]ccc21 ZINC000757570553 586462516 /nfs/dbraw/zinc/46/25/16/586462516.db2.gz XLSBYUNIKIVUTB-UHFFFAOYSA-N 1 2 204.277 2.150 10 0 BEAELO C[C@H](O)c1ccc(N(C)CC2CCC2)[nH+]c1 ZINC000124936438 590102496 /nfs/dbraw/zinc/10/24/96/590102496.db2.gz SGIZPAFHYRITTC-JTQLQIEISA-N 1 2 220.316 2.371 10 0 BEAELO CC1(OC(=O)Cc2cn3ccccc3[nH+]2)CCC1 ZINC000126699203 590418432 /nfs/dbraw/zinc/41/84/32/590418432.db2.gz ZSCHRJNXAMKFJB-UHFFFAOYSA-N 1 2 244.294 2.363 10 0 BEAELO Cc1cc(-c2cn(C)nc2C(C)C)c[nH+]c1N ZINC000129758157 591393608 /nfs/dbraw/zinc/39/36/08/591393608.db2.gz ONJJYUURQFIGOZ-UHFFFAOYSA-N 1 2 230.315 2.496 10 0 BEAELO C[C@@H](O)c1ccc(N(C)Cc2cccnc2)[nH+]c1 ZINC000213221978 591455387 /nfs/dbraw/zinc/45/53/87/591455387.db2.gz LMFLVDXRBRXCOR-LLVKDONJSA-N 1 2 243.310 2.166 10 0 BEAELO CCCNc1cc(N[C@@H](C)COCC)nc[nH+]1 ZINC000132028652 591684668 /nfs/dbraw/zinc/68/46/68/591684668.db2.gz GLTHALVESAHSNS-JTQLQIEISA-N 1 2 238.335 2.135 10 0 BEAELO CCCNc1cc(N[C@@H](C)COCC)[nH+]cn1 ZINC000132028652 591684675 /nfs/dbraw/zinc/68/46/75/591684675.db2.gz GLTHALVESAHSNS-JTQLQIEISA-N 1 2 238.335 2.135 10 0 BEAELO Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccn1 ZINC000219075194 592208247 /nfs/dbraw/zinc/20/82/47/592208247.db2.gz FZVDDJSIEGWNCH-LLVKDONJSA-N 1 2 228.299 2.031 10 0 BEAELO O=Cc1cccc(Cl)c1-n1cc[nH+]c1 ZINC000236030606 631543433 /nfs/dbraw/zinc/54/34/33/631543433.db2.gz IMCOWXOHMWLQOK-UHFFFAOYSA-N 1 2 206.632 2.338 10 0 BEAELO Cc1cc(C[NH2+][C@@H]2COc3ccccc32)on1 ZINC000310513435 632752623 /nfs/dbraw/zinc/75/26/23/632752623.db2.gz KMYTZGCYNLNFKT-GFCCVEGCSA-N 1 2 230.267 2.206 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1C/C(Cl)=C/Cl ZINC000307327747 635986216 /nfs/dbraw/zinc/98/62/16/635986216.db2.gz JQCVFKDFEPSIIH-BVQMJAIZSA-N 1 2 224.131 2.151 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1C/C(Cl)=C/Cl ZINC000307327747 635986221 /nfs/dbraw/zinc/98/62/21/635986221.db2.gz JQCVFKDFEPSIIH-BVQMJAIZSA-N 1 2 224.131 2.151 10 0 BEAELO CCC(=O)c1ccccc1-n1cc[nH+]c1 ZINC000167670403 636264165 /nfs/dbraw/zinc/26/41/65/636264165.db2.gz JLWWZKPDHVNDMG-UHFFFAOYSA-N 1 2 200.241 2.465 10 0 BEAELO CC[NH2+]Cc1noc([C@H]2CCC[C@H]2C)n1 ZINC000225427603 640691830 /nfs/dbraw/zinc/69/18/30/640691830.db2.gz ZPLOWDJDHGGJDM-BDAKNGLRSA-N 1 2 209.293 2.083 10 0 BEAELO CCOC(C[NH2+][C@@H](C)c1ncc(C)o1)OCC ZINC000231785877 641203537 /nfs/dbraw/zinc/20/35/37/641203537.db2.gz SVMZOKSXWGVMFS-JTQLQIEISA-N 1 2 242.319 2.033 10 0 BEAELO CC(=O)c1cccnc1-n1c[nH+]c(C)c1C ZINC000232581595 641305965 /nfs/dbraw/zinc/30/59/65/641305965.db2.gz XKZLGPZIKJVTQK-UHFFFAOYSA-N 1 2 215.256 2.087 10 0 BEAELO CCC(=O)CC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000190264021 641854651 /nfs/dbraw/zinc/85/46/51/641854651.db2.gz URQIKCUCTZKEPD-SNVBAGLBSA-N 1 2 243.347 2.018 10 0 BEAELO CCC(=O)CC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000190264021 641854655 /nfs/dbraw/zinc/85/46/55/641854655.db2.gz URQIKCUCTZKEPD-SNVBAGLBSA-N 1 2 243.347 2.018 10 0 BEAELO C[C@@H]([NH2+][C@H]1COc2ccccc21)c1cnccn1 ZINC000070528365 643034117 /nfs/dbraw/zinc/03/41/17/643034117.db2.gz KAMWKGLMKYESQT-MFKMUULPSA-N 1 2 241.294 2.261 10 0 BEAELO C[C@H]([NH2+][C@H]1COc2ccccc21)c1cnccn1 ZINC000070528364 643035211 /nfs/dbraw/zinc/03/52/11/643035211.db2.gz KAMWKGLMKYESQT-GWCFXTLKSA-N 1 2 241.294 2.261 10 0 BEAELO Cc1cnc(C[NH2+][C@H](C)c2cn(C)cn2)c(C)c1 ZINC000724070589 711558900 /nfs/dbraw/zinc/55/89/00/711558900.db2.gz MLJLANRYLIESIZ-GFCCVEGCSA-N 1 2 244.342 2.283 10 0 BEAELO CCC[C@@H]([NH2+]C1CC(SC)C1)C(=O)OCC ZINC000707021951 712164324 /nfs/dbraw/zinc/16/43/24/712164324.db2.gz MCAAWFINODPVTF-VQXHTEKXSA-N 1 2 245.388 2.202 10 0 BEAELO CCc1ccc(Cn2c[nH+]c(N)c2)s1 ZINC000685964175 538911021 /nfs/dbraw/zinc/91/10/21/538911021.db2.gz FVABCWOHYLKYFJ-UHFFFAOYSA-N 1 2 207.302 2.138 10 0 BEAELO CCc1ccc(Cn2c[nH+]c(N)c2)cc1 ZINC000685964184 538911094 /nfs/dbraw/zinc/91/10/94/538911094.db2.gz IQPZFOZBOQCGDL-UHFFFAOYSA-N 1 2 201.273 2.076 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C[C@@H]1CCCOC1 ZINC000044981812 178106823 /nfs/dbraw/zinc/10/68/23/178106823.db2.gz FFJLHFZTQDMOOA-NSHDSACASA-N 1 2 220.316 2.416 10 0 BEAELO Cc1cc([NH3+])ccc1N[C@H]1CCCC[C@H]1O ZINC000051998568 178107436 /nfs/dbraw/zinc/10/74/36/178107436.db2.gz HRHCTZKWWPUHPD-QWHCGFSZSA-N 1 2 220.316 2.293 10 0 BEAELO Cc1cc(N2C[C@@H]3CC=CC[C@H]3C2)nc[nH+]1 ZINC000301458030 178121066 /nfs/dbraw/zinc/12/10/66/178121066.db2.gz ZHBCDCWFJNWEDW-RYUDHWBXSA-N 1 2 215.300 2.187 10 0 BEAELO Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000119448531 178136994 /nfs/dbraw/zinc/13/69/94/178136994.db2.gz MYEIBKHAICZBGZ-GHMZBOCLSA-N 1 2 249.314 2.031 10 0 BEAELO [NH3+]Cc1n[nH]c2cc(C(F)(F)F)ccc21 ZINC000075139296 398217084 /nfs/dbraw/zinc/21/70/84/398217084.db2.gz IJEVPBVWGABJNM-UHFFFAOYSA-N 1 2 215.178 2.040 10 0 BEAELO c1nnc([C@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)[nH]1 ZINC000248591495 187330718 /nfs/dbraw/zinc/33/07/18/187330718.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 1 2 232.331 2.440 10 0 BEAELO c1nnc([C@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)[nH]1 ZINC000248591495 187330719 /nfs/dbraw/zinc/33/07/19/187330719.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@H]2CCCC[N@@H+]2[C@@H]2C=CCCC2)n[nH]1 ZINC000248591495 187330721 /nfs/dbraw/zinc/33/07/21/187330721.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@H]2CCCC[N@H+]2[C@@H]2C=CCCC2)n[nH]1 ZINC000248591495 187330723 /nfs/dbraw/zinc/33/07/23/187330723.db2.gz RTPJCMUFWGKKPA-VXGBXAGGSA-N 1 2 232.331 2.440 10 0 BEAELO Cc1cc([NH2+][C@H]2CCCC[C@@H]2O)ccc1N ZINC000051999053 178189455 /nfs/dbraw/zinc/18/94/55/178189455.db2.gz IJKKSQDGKCIPNQ-STQMWFEESA-N 1 2 220.316 2.293 10 0 BEAELO CCC(CC)CNc1[nH+]cccc1CO ZINC000083345507 168365868 /nfs/dbraw/zinc/36/58/68/168365868.db2.gz IFUPZYOQWYDHGZ-UHFFFAOYSA-N 1 2 208.305 2.422 10 0 BEAELO Cc1ccc(-n2cc[nH+]c2)cc1[C@@H](C)O ZINC000039105156 178347285 /nfs/dbraw/zinc/34/72/85/178347285.db2.gz SDQXVTPJJDXALN-SNVBAGLBSA-N 1 2 202.257 2.234 10 0 BEAELO CCOC(=O)[C@H]1c2ccccc2CC[N@H+]1CC ZINC000149376651 346841805 /nfs/dbraw/zinc/84/18/05/346841805.db2.gz DNUPXBIBMSKWMB-CYBMUJFWSA-N 1 2 233.311 2.169 10 0 BEAELO CCOC(=O)[C@H]1c2ccccc2CC[N@@H+]1CC ZINC000149376651 346841808 /nfs/dbraw/zinc/84/18/08/346841808.db2.gz DNUPXBIBMSKWMB-CYBMUJFWSA-N 1 2 233.311 2.169 10 0 BEAELO Clc1ncccc1NCc1c[nH+]c[nH]1 ZINC000054764457 398283077 /nfs/dbraw/zinc/28/30/77/398283077.db2.gz XCZBUNMTRNYCGM-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO Clc1ncccc1NCc1c[nH]c[nH+]1 ZINC000054764457 398283082 /nfs/dbraw/zinc/28/30/82/398283082.db2.gz XCZBUNMTRNYCGM-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO CC(C)(C)OC(=O)[C@H]([NH3+])c1ccc(F)cc1 ZINC000390257634 539020430 /nfs/dbraw/zinc/02/04/30/539020430.db2.gz MRFBMIHHIQLHLO-SNVBAGLBSA-N 1 2 225.263 2.167 10 0 BEAELO Clc1csc(NCc2c[nH+]c[nH]2)n1 ZINC000165059915 342872171 /nfs/dbraw/zinc/87/21/71/342872171.db2.gz PFKGCLUDUBNVID-UHFFFAOYSA-N 1 2 214.681 2.132 10 0 BEAELO Clc1csc(NCc2c[nH]c[nH+]2)n1 ZINC000165059915 342872172 /nfs/dbraw/zinc/87/21/72/342872172.db2.gz PFKGCLUDUBNVID-UHFFFAOYSA-N 1 2 214.681 2.132 10 0 BEAELO C[C@@H]1C[C@@H](C)SC(NCC(F)(F)F)=[NH+]1 ZINC000164952684 342859540 /nfs/dbraw/zinc/85/95/40/342859540.db2.gz XKBMVZJDCZPSNQ-PHDIDXHHSA-N 1 2 226.267 2.408 10 0 BEAELO CSCCCC(=O)Nc1cc[nH+]cc1C ZINC000134874857 342913987 /nfs/dbraw/zinc/91/39/87/342913987.db2.gz GSSYYYXCJHGTGB-UHFFFAOYSA-N 1 2 224.329 2.472 10 0 BEAELO C[NH+](C)[C@@H](CO)c1c(F)cccc1Cl ZINC000041230757 342984551 /nfs/dbraw/zinc/98/45/51/342984551.db2.gz BQOFBSQQVVSQID-VIFPVBQESA-N 1 2 217.671 2.074 10 0 BEAELO Nc1ccc(-c2cccc(F)c2C=O)c[nH+]1 ZINC000584880568 343081195 /nfs/dbraw/zinc/08/11/95/343081195.db2.gz GWHALTFTCZROTB-UHFFFAOYSA-N 1 2 216.215 2.113 10 0 BEAELO Nc1ccc(-c2ccc(C=O)c(F)c2)c[nH+]1 ZINC000584880991 343082032 /nfs/dbraw/zinc/08/20/32/343082032.db2.gz UDDMXWPPHUBJPJ-UHFFFAOYSA-N 1 2 216.215 2.113 10 0 BEAELO CCNc1c(N)c[nH+]c2c(OC)cc(F)cc12 ZINC000584882498 343084606 /nfs/dbraw/zinc/08/46/06/343084606.db2.gz IHCWUBBNIYRYKZ-UHFFFAOYSA-N 1 2 235.262 2.397 10 0 BEAELO C[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)(C)C ZINC000122447812 343159589 /nfs/dbraw/zinc/15/95/89/343159589.db2.gz LPNGTBZPFJAZLH-MRVPVSSYSA-N 1 2 233.319 2.210 10 0 BEAELO C[C@@H](N[C@@H](C)c1[nH]cc[nH+]1)c1cscn1 ZINC000124733302 343164761 /nfs/dbraw/zinc/16/47/61/343164761.db2.gz DUUYFLAMZSNCBA-SFYZADRCSA-N 1 2 222.317 2.278 10 0 BEAELO COC(=O)[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000034743180 343277929 /nfs/dbraw/zinc/27/79/29/343277929.db2.gz AUTFVNPUUPHELI-NSHDSACASA-N 1 2 221.300 2.157 10 0 BEAELO Nc1cccc2[nH+]c(-c3ccncc3)[nH]c21 ZINC000036281964 187258728 /nfs/dbraw/zinc/25/87/28/187258728.db2.gz PBORABPBYIKTAX-UHFFFAOYSA-N 1 2 210.240 2.207 10 0 BEAELO CC[C@H]([NH2+]CCn1cncn1)c1cccs1 ZINC000167008292 136368026 /nfs/dbraw/zinc/36/80/26/136368026.db2.gz SEORCXXZXHPJEO-JTQLQIEISA-N 1 2 236.344 2.081 10 0 BEAELO C[C@H]1C[C@H](C)[N@H+](Cc2nnc(Cl)s2)C1 ZINC000157780972 343555528 /nfs/dbraw/zinc/55/55/28/343555528.db2.gz KIYXFUSGHSYDIF-BQBZGAKWSA-N 1 2 231.752 2.422 10 0 BEAELO C[C@H]1C[C@H](C)[N@@H+](Cc2nnc(Cl)s2)C1 ZINC000157780972 343555530 /nfs/dbraw/zinc/55/55/30/343555530.db2.gz KIYXFUSGHSYDIF-BQBZGAKWSA-N 1 2 231.752 2.422 10 0 BEAELO Cc1ccc(CC[NH2+]CC(=O)OC(C)(C)C)cc1 ZINC000205222421 343619930 /nfs/dbraw/zinc/61/99/30/343619930.db2.gz TWZVLWQNCFYEOT-UHFFFAOYSA-N 1 2 249.354 2.469 10 0 BEAELO CCc1c(N)[nH+]cnc1NCc1ccccc1 ZINC000128356832 346950213 /nfs/dbraw/zinc/95/02/13/346950213.db2.gz PTLDJJSBIBQMTE-UHFFFAOYSA-N 1 2 228.299 2.233 10 0 BEAELO CCc1c(N)nc[nH+]c1NCc1ccccc1 ZINC000128356832 346950216 /nfs/dbraw/zinc/95/02/16/346950216.db2.gz PTLDJJSBIBQMTE-UHFFFAOYSA-N 1 2 228.299 2.233 10 0 BEAELO Fc1cccc(F)c1[C@H]1[NH2+]CCS1 ZINC000050522675 343782096 /nfs/dbraw/zinc/78/20/96/343782096.db2.gz YYTVPWITSVTLDA-VIFPVBQESA-N 1 2 201.241 2.300 10 0 BEAELO O=C1CC(c2ccsc2)=NN1C[C@H]1CCC[NH2+]1 ZINC000409436868 343841229 /nfs/dbraw/zinc/84/12/29/343841229.db2.gz BRZTUSAZDJKXGG-SNVBAGLBSA-N 1 2 249.339 2.069 10 0 BEAELO O=c1cc(-c2ccsc2)[nH]n1C[C@H]1CCC[NH2+]1 ZINC000409436868 343841231 /nfs/dbraw/zinc/84/12/31/343841231.db2.gz BRZTUSAZDJKXGG-SNVBAGLBSA-N 1 2 249.339 2.069 10 0 BEAELO COC(=[NH2+])Cn1ccc(-c2cccs2)n1 ZINC000409439141 343846428 /nfs/dbraw/zinc/84/64/28/343846428.db2.gz HIDKZDARNOVYTC-UHFFFAOYSA-N 1 2 221.285 2.235 10 0 BEAELO [NH3+]CCc1c(-c2ccccc2)[nH]nc1C1CC1 ZINC000409438339 343850397 /nfs/dbraw/zinc/85/03/97/343850397.db2.gz CVPGKQKETHPGMW-UHFFFAOYSA-N 1 2 227.311 2.455 10 0 BEAELO CCn1cc([C@H]2[NH2+]CC[C@@H](C)S2)cn1 ZINC000234257598 343921266 /nfs/dbraw/zinc/92/12/66/343921266.db2.gz YVPFWGIUFOELHT-SCZZXKLOSA-N 1 2 211.334 2.017 10 0 BEAELO C[C@H]1C(c2ccccc2)=[N+](O)C2(CCCC2)N1O ZINC000145386449 344164743 /nfs/dbraw/zinc/16/47/43/344164743.db2.gz HHDCVBXJOHGTGL-NSHDSACASA-N 1 2 247.318 2.241 10 0 BEAELO C[C@@H]1C(c2ccccc2)=[N+](O)C2(CCCC2)N1O ZINC000145386260 344164773 /nfs/dbraw/zinc/16/47/73/344164773.db2.gz HHDCVBXJOHGTGL-LLVKDONJSA-N 1 2 247.318 2.241 10 0 BEAELO Fc1ccc(Br)cc1C1(F)C[NH2+]C1 ZINC000158125600 344549096 /nfs/dbraw/zinc/54/90/96/344549096.db2.gz YLXDMUXVJXLQCE-UHFFFAOYSA-N 1 2 248.070 2.356 10 0 BEAELO C[C@@H](c1cccnc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693729 344682400 /nfs/dbraw/zinc/68/24/00/344682400.db2.gz RYARLZWOMNSDHU-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H](c1cccnc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693729 344682402 /nfs/dbraw/zinc/68/24/02/344682402.db2.gz RYARLZWOMNSDHU-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO CCc1[nH+]ccn1-c1cnc2ccccc2n1 ZINC000104289600 187292125 /nfs/dbraw/zinc/29/21/25/187292125.db2.gz MALJDSLRNCDWRV-UHFFFAOYSA-N 1 2 224.267 2.378 10 0 BEAELO O=C1CC[N@@H+]([C@H]2CCCc3sccc32)C1 ZINC000061363658 344921895 /nfs/dbraw/zinc/92/18/95/344921895.db2.gz AEKCAMGWFMQTDZ-NSHDSACASA-N 1 2 221.325 2.400 10 0 BEAELO O=C1CC[N@H+]([C@H]2CCCc3sccc32)C1 ZINC000061363658 344921897 /nfs/dbraw/zinc/92/18/97/344921897.db2.gz AEKCAMGWFMQTDZ-NSHDSACASA-N 1 2 221.325 2.400 10 0 BEAELO C[C@H]1CC(CNc2cc[nH+]cc2F)C[C@H](C)O1 ZINC000641551444 362496698 /nfs/dbraw/zinc/49/66/98/362496698.db2.gz HBHNFGFZICSZHF-UWVGGRQHSA-N 1 2 238.306 2.258 10 0 BEAELO [NH3+][C@@H](CCO)c1cc(Cl)c(O)c(Cl)c1 ZINC000044234525 344987549 /nfs/dbraw/zinc/98/75/49/344987549.db2.gz LBMGRANYJCFECH-QMMMGPOBSA-N 1 2 236.098 2.081 10 0 BEAELO CC1(C)[C@H](Nc2cccc[nH+]2)[C@H]2CCO[C@@H]21 ZINC000301382564 187302691 /nfs/dbraw/zinc/30/26/91/187302691.db2.gz ZISIKFNTFAFALA-JLLWLGSASA-N 1 2 218.300 2.307 10 0 BEAELO CCOC(=O)CC[C@H](C)Nc1cccc[nH+]1 ZINC000089656774 345558119 /nfs/dbraw/zinc/55/81/19/345558119.db2.gz SGZVTFWVKJPUGK-JTQLQIEISA-N 1 2 222.288 2.225 10 0 BEAELO CC(=O)[C@H](Cc1ccccc1)n1cc[nH+]c1 ZINC000034116701 345817195 /nfs/dbraw/zinc/81/71/95/345817195.db2.gz NZEZRHVNSMOLDU-ZDUSSCGKSA-N 1 2 214.268 2.256 10 0 BEAELO CCN(C)c1[nH+]cc(N)c(C)c1Br ZINC000167006608 346179002 /nfs/dbraw/zinc/17/90/02/346179002.db2.gz PEMLMDACAIZZBQ-UHFFFAOYSA-N 1 2 244.136 2.191 10 0 BEAELO Cc1cccc(CNc2cc[nH+]c(C)n2)n1 ZINC000054936491 179102883 /nfs/dbraw/zinc/10/28/83/179102883.db2.gz QWLHMZHKZINSFE-UHFFFAOYSA-N 1 2 214.272 2.101 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)C1CCCC1 ZINC000177291451 346595869 /nfs/dbraw/zinc/59/58/69/346595869.db2.gz FOCOOPAZHKKDDO-OAHLLOKOSA-N 1 2 226.345 2.094 10 0 BEAELO Cn1cc[nH+]c1CNc1cc(F)cc(F)c1 ZINC000036896231 346670220 /nfs/dbraw/zinc/67/02/20/346670220.db2.gz PWTZSHZCVLCRAW-UHFFFAOYSA-N 1 2 223.226 2.310 10 0 BEAELO Cc1cccc2sc([C@H]3COCC[NH2+]3)nc21 ZINC000083113504 179234844 /nfs/dbraw/zinc/23/48/44/179234844.db2.gz RYRDYRVOKVNEPW-SECBINFHSA-N 1 2 234.324 2.266 10 0 BEAELO Cc1ccccc1C(=O)CC[N@@H+]1CCO[C@H](C)C1 ZINC000054013336 179245396 /nfs/dbraw/zinc/24/53/96/179245396.db2.gz WVZAAANHQJPUEH-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccccc1C(=O)CC[N@H+]1CCO[C@H](C)C1 ZINC000054013336 179245401 /nfs/dbraw/zinc/24/54/01/179245401.db2.gz WVZAAANHQJPUEH-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccc(C(=O)Cn2cc[nH+]c2)s1 ZINC000037340503 348330796 /nfs/dbraw/zinc/33/07/96/348330796.db2.gz MHTDKQMRBAEAFN-UHFFFAOYSA-N 1 2 206.270 2.136 10 0 BEAELO Cc1cc[nH+]cc1Nc1ncccc1C(N)=S ZINC000071414362 179495945 /nfs/dbraw/zinc/49/59/45/179495945.db2.gz QFLPASCYTITIPY-UHFFFAOYSA-N 1 2 244.323 2.163 10 0 BEAELO COC(=O)[C@H]([NH3+])c1c(Cl)cccc1Cl ZINC000037459752 348614466 /nfs/dbraw/zinc/61/44/66/348614466.db2.gz MCAFQQRDOMKZEG-MRVPVSSYSA-N 1 2 234.082 2.166 10 0 BEAELO Nc1cn(Cc2ccc(F)c(Cl)c2)c[nH+]1 ZINC000725247424 538011172 /nfs/dbraw/zinc/01/11/72/538011172.db2.gz VSUZZFIJHINOBV-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO Cc1nc2cc(NCc3[nH]cc[nH+]3)ccc2o1 ZINC000049714714 180084282 /nfs/dbraw/zinc/08/42/82/180084282.db2.gz TYTYPGIOGVZUDE-UHFFFAOYSA-N 1 2 228.255 2.471 10 0 BEAELO Cc1nc(N[C@@H]2CCO[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000292170616 180069960 /nfs/dbraw/zinc/06/99/60/180069960.db2.gz DRJWIIRCOZVIIK-BXKDBHETSA-N 1 2 247.342 2.253 10 0 BEAELO Cc1nc(N[C@H]2CCO[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302069627 180070325 /nfs/dbraw/zinc/07/03/25/180070325.db2.gz DRJWIIRCOZVIIK-SKDRFNHKSA-N 1 2 247.342 2.253 10 0 BEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccco1 ZINC000090227002 180111369 /nfs/dbraw/zinc/11/13/69/180111369.db2.gz IZARBMYDVIVBSV-KOLCDFICSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1cccc(F)c1 ZINC000054793790 180121828 /nfs/dbraw/zinc/12/18/28/180121828.db2.gz DEQOVCJPDCTMLL-UHFFFAOYSA-N 1 2 205.236 2.469 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1cccnc1Cl ZINC000054795147 180121939 /nfs/dbraw/zinc/12/19/39/180121939.db2.gz JVYAOQSMPBJROZ-UHFFFAOYSA-N 1 2 222.679 2.379 10 0 BEAELO Cc1nc(NCC2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000282031812 180197962 /nfs/dbraw/zinc/19/79/62/180197962.db2.gz ZIBDVGFEQWWRKC-NXEZZACHSA-N 1 2 235.331 2.401 10 0 BEAELO Cc1[nH+]ccn1-c1ncc(Br)s1 ZINC000044116996 180229968 /nfs/dbraw/zinc/22/99/68/180229968.db2.gz UPIPHFAPBVERBF-UHFFFAOYSA-N 1 2 244.117 2.400 10 0 BEAELO Cc1[nH+]cn(-c2cc(F)ccc2N)c1C ZINC000052122213 180284784 /nfs/dbraw/zinc/28/47/84/180284784.db2.gz XHPUUTKZEDSWFZ-UHFFFAOYSA-N 1 2 205.236 2.210 10 0 BEAELO CC[C@@H]1SCCS[C@@H]1C(=[NH2+])OC ZINC000228173810 350531965 /nfs/dbraw/zinc/53/19/65/350531965.db2.gz WBEYZNYVBNRVRC-BQBZGAKWSA-N 1 2 205.348 2.237 10 0 BEAELO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000616613862 350816827 /nfs/dbraw/zinc/81/68/27/350816827.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 1 2 208.309 2.130 10 0 BEAELO CC(C)(C)[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000616613862 350816829 /nfs/dbraw/zinc/81/68/29/350816829.db2.gz CHSRHAGGISJANB-SECBINFHSA-N 1 2 208.309 2.130 10 0 BEAELO C[C@@]1(C[NH2+]N2CCCCC2)CCCS1 ZINC000306698441 350847569 /nfs/dbraw/zinc/84/75/69/350847569.db2.gz CPOWFKPREBTVSP-NSHDSACASA-N 1 2 214.378 2.263 10 0 BEAELO Cc1cc(C(=O)[C@H]([NH3+])c2cccs2)sn1 ZINC000306712441 350873545 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ZYZVSZMFPNNDCL-NSHDSACASA-N 1 2 245.326 2.080 10 0 BEAELO Cc1ccc2[nH+]c(N3CCC[C@H](CO)C3)[nH]c2c1 ZINC000096638721 538614379 /nfs/dbraw/zinc/61/43/79/538614379.db2.gz ZYZVSZMFPNNDCL-NSHDSACASA-N 1 2 245.326 2.080 10 0 BEAELO C[C@@H]([NH2+]Cc1cscn1)c1ccncc1 ZINC000040420964 356938914 /nfs/dbraw/zinc/93/89/14/356938914.db2.gz FQTASYTUZJXIMF-SECBINFHSA-N 1 2 219.313 2.389 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccc(CO)cc2)o1 ZINC000230647213 357544476 /nfs/dbraw/zinc/54/44/76/357544476.db2.gz ZGASUHFFLDZYNB-LLVKDONJSA-N 1 2 246.310 2.326 10 0 BEAELO CCn1nccc1C[NH2+][C@H](C)c1ncc(C)o1 ZINC000231530851 357609213 /nfs/dbraw/zinc/60/92/13/357609213.db2.gz HYXXQLSSQOOQNW-SNVBAGLBSA-N 1 2 234.303 2.050 10 0 BEAELO Cc1cccc([C@H]([NH3+])C(=O)OC(C)(C)C)c1 ZINC000685939415 538886528 /nfs/dbraw/zinc/88/65/28/538886528.db2.gz XFZIGNDYHHYZAQ-NSHDSACASA-N 1 2 221.300 2.337 10 0 BEAELO [NH3+][C@@H](C(=O)O[C@H]1C[C@H]2CC[C@@H]1C2)c1ccccc1 ZINC000584595558 358253318 /nfs/dbraw/zinc/25/33/18/358253318.db2.gz JSRYIFOJSDNBTM-AHLTXXRQSA-N 1 2 245.322 2.418 10 0 BEAELO COc1cc2c(c(OC)c1)C=[NH+][C@@H](C)C2 ZINC000584606175 358265197 /nfs/dbraw/zinc/26/51/97/358265197.db2.gz JPBXIDSIUBAUNJ-QMMMGPOBSA-N 1 2 205.257 2.067 10 0 BEAELO c1cnn(-c2ccccc2-n2cc[nH+]c2)c1 ZINC000584615767 358280472 /nfs/dbraw/zinc/28/04/72/358280472.db2.gz SEHJLAORAHNLSY-UHFFFAOYSA-N 1 2 210.240 2.058 10 0 BEAELO CC(C)(C)[NH2+]N1CSCCCSC1 ZINC000584645061 358330300 /nfs/dbraw/zinc/33/03/00/358330300.db2.gz JADNBLVEGPMRFO-UHFFFAOYSA-N 1 2 220.407 2.377 10 0 BEAELO COc1ccc(O)c(-c2[nH]c(C)c(C)[nH+]2)c1 ZINC000584636141 358320634 /nfs/dbraw/zinc/32/06/34/358320634.db2.gz BVCNOCQPBDAQSS-UHFFFAOYSA-N 1 2 218.256 2.408 10 0 BEAELO CC(C)CC[N@@H+]1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000584638466 358324160 /nfs/dbraw/zinc/32/41/60/358324160.db2.gz ACUIXYNWTNRCGI-CABCVRRESA-N 1 2 249.354 2.424 10 0 BEAELO CC(C)CC[N@H+]1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000584638466 358324166 /nfs/dbraw/zinc/32/41/66/358324166.db2.gz ACUIXYNWTNRCGI-CABCVRRESA-N 1 2 249.354 2.424 10 0 BEAELO Cc1nccnc1[C@H](C)[NH2+]Cc1cscn1 ZINC000219123650 134274702 /nfs/dbraw/zinc/27/47/02/134274702.db2.gz QUPUXTLBOIZLCM-VIFPVBQESA-N 1 2 234.328 2.092 10 0 BEAELO CC[C@@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC000042591236 358527276 /nfs/dbraw/zinc/52/72/76/358527276.db2.gz ZFSNTXVPWCWIDL-SNVBAGLBSA-N 1 2 233.319 2.210 10 0 BEAELO C[C@@H]([NH2+][C@@H](C)c1ccoc1)c1nccn1C ZINC000132319665 491135133 /nfs/dbraw/zinc/13/51/33/491135133.db2.gz AUHCHJKZVZDBIN-VHSXEESVSA-N 1 2 219.288 2.425 10 0 BEAELO Cc1ccsc1C(=O)Cc1[nH+]ccn1C ZINC000160844909 358963300 /nfs/dbraw/zinc/96/33/00/358963300.db2.gz YAXQNFQRFRYGDV-UHFFFAOYSA-N 1 2 220.297 2.215 10 0 BEAELO CCOC(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247553443 359234214 /nfs/dbraw/zinc/23/42/14/359234214.db2.gz SUMGQCUWGSQVDU-QWRGUYRKSA-N 1 2 237.299 2.368 10 0 BEAELO CCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247553443 359234217 /nfs/dbraw/zinc/23/42/17/359234217.db2.gz SUMGQCUWGSQVDU-QWRGUYRKSA-N 1 2 237.299 2.368 10 0 BEAELO O=C(CC[N@H+]1CC[C@@H](F)C1)c1ccc(F)cc1 ZINC000451190000 202371686 /nfs/dbraw/zinc/37/16/86/202371686.db2.gz FWISIMLWCQXODV-GFCCVEGCSA-N 1 2 239.265 2.442 10 0 BEAELO O=C(CC[N@@H+]1CC[C@@H](F)C1)c1ccc(F)cc1 ZINC000451190000 202371688 /nfs/dbraw/zinc/37/16/88/202371688.db2.gz FWISIMLWCQXODV-GFCCVEGCSA-N 1 2 239.265 2.442 10 0 BEAELO O=C(CC[N@H+]1CC[C@H](F)C1)c1ccc(F)cc1 ZINC000451190007 202372001 /nfs/dbraw/zinc/37/20/01/202372001.db2.gz FWISIMLWCQXODV-LBPRGKRZSA-N 1 2 239.265 2.442 10 0 BEAELO O=C(CC[N@@H+]1CC[C@H](F)C1)c1ccc(F)cc1 ZINC000451190007 202372003 /nfs/dbraw/zinc/37/20/03/202372003.db2.gz FWISIMLWCQXODV-LBPRGKRZSA-N 1 2 239.265 2.442 10 0 BEAELO C[NH2+][C@]1(C(F)F)CCCc2occc21 ZINC000169278436 360046331 /nfs/dbraw/zinc/04/63/31/360046331.db2.gz RPMIKXOUKYDZAX-SNVBAGLBSA-N 1 2 201.216 2.296 10 0 BEAELO BrC1=CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000306489460 360178502 /nfs/dbraw/zinc/17/85/02/360178502.db2.gz LOCOSUUTPRCOSD-UHFFFAOYSA-N 1 2 241.132 2.499 10 0 BEAELO BrC1=CCC[N@@H+](Cc2cc[nH]c2)C1 ZINC000306489460 360178505 /nfs/dbraw/zinc/17/85/05/360178505.db2.gz LOCOSUUTPRCOSD-UHFFFAOYSA-N 1 2 241.132 2.499 10 0 BEAELO COC(=O)c1ccc(CNc2c[nH+]ccc2C)[nH]1 ZINC000093085645 360215903 /nfs/dbraw/zinc/21/59/03/360215903.db2.gz UWBXSMMSGCWVEI-UHFFFAOYSA-N 1 2 245.282 2.117 10 0 BEAELO Cc1cnc([C@H]2[NH2+]C[C@@H](C)S2)s1 ZINC000306547337 360416473 /nfs/dbraw/zinc/41/64/73/360416473.db2.gz CCYFFBHPRNDAAZ-SVRRBLITSA-N 1 2 200.332 2.175 10 0 BEAELO NC(=S)c1cc(NCC2CCCC2)cc[nH+]1 ZINC000061812501 181320143 /nfs/dbraw/zinc/32/01/43/181320143.db2.gz NPHQUKPLSVAKAA-UHFFFAOYSA-N 1 2 235.356 2.318 10 0 BEAELO Nc1ccc(Sc2cccnc2)c[nH+]1 ZINC000238588884 361158801 /nfs/dbraw/zinc/15/88/01/361158801.db2.gz DVLVOOMWACWLCQ-UHFFFAOYSA-N 1 2 203.270 2.210 10 0 BEAELO CC(C)n1cc[nH+]c1CN1[C@@H](C)COC[C@@H]1C ZINC000172668908 365368241 /nfs/dbraw/zinc/36/82/41/365368241.db2.gz OZWOMXBDGOFGLZ-RYUDHWBXSA-N 1 2 237.347 2.073 10 0 BEAELO O/N=C(/Cn1cc[nH+]c1)c1ccc(Cl)cc1 ZINC000102234258 368339452 /nfs/dbraw/zinc/33/94/52/368339452.db2.gz NIUIGNPIBHOCIB-KAMYIIQDSA-N 1 2 235.674 2.415 10 0 BEAELO C(c1noc2c1CCCC2)[NH+]1CCSCC1 ZINC000108854369 369412994 /nfs/dbraw/zinc/41/29/94/369412994.db2.gz CIVVUOGIZUPGAZ-UHFFFAOYSA-N 1 2 238.356 2.102 10 0 BEAELO CCC1(CC)N(O)[C@H](C)C(c2ccccc2)=[N+]1O ZINC000225403332 370548699 /nfs/dbraw/zinc/54/86/99/370548699.db2.gz DJIXJQBTGCHBED-LLVKDONJSA-N 1 2 249.334 2.487 10 0 BEAELO Nc1ccc(S[C@H]2CCCC[C@H]2O)c[nH+]1 ZINC000037691881 181725521 /nfs/dbraw/zinc/72/55/21/181725521.db2.gz YGIOPVBKQPIKDE-ZJUUUORDSA-N 1 2 224.329 2.059 10 0 BEAELO Clc1ccc2[nH+]c3c(n2c1)COCC3 ZINC000228012286 371976273 /nfs/dbraw/zinc/97/62/73/371976273.db2.gz KIHKEQHYDXYRSU-UHFFFAOYSA-N 1 2 208.648 2.060 10 0 BEAELO COC(=O)[C@@H]([NH3+])c1csc2ccccc21 ZINC000039633735 373013568 /nfs/dbraw/zinc/01/35/68/373013568.db2.gz DXHBPKCPVHUXSF-JTQLQIEISA-N 1 2 221.281 2.074 10 0 BEAELO OCc1cccc(N(CC(F)(F)F)C2CC2)[nH+]1 ZINC000051042321 183167441 /nfs/dbraw/zinc/16/74/41/183167441.db2.gz YFLVZMCZUUOVEZ-UHFFFAOYSA-N 1 2 246.232 2.105 10 0 BEAELO O[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000021994623 183249760 /nfs/dbraw/zinc/24/97/60/183249760.db2.gz NXZFGPQSDCEZFS-OLZOCXBDSA-N 1 2 214.268 2.104 10 0 BEAELO Oc1ccc(OCCCc2c[nH]c[nH+]2)cc1 ZINC000013814520 183277342 /nfs/dbraw/zinc/27/73/42/183277342.db2.gz DPXSHZRULHXRAR-UHFFFAOYSA-N 1 2 218.256 2.127 10 0 BEAELO Oc1ccc(OCCCc2c[nH+]c[nH]2)cc1 ZINC000013814520 183277345 /nfs/dbraw/zinc/27/73/45/183277345.db2.gz DPXSHZRULHXRAR-UHFFFAOYSA-N 1 2 218.256 2.127 10 0 BEAELO Oc1ccc2c(c1)[C@@H](Cc1c[nH]c[nH+]1)CC2 ZINC000003822129 183281756 /nfs/dbraw/zinc/28/17/56/183281756.db2.gz VTZPAJGVRWKMAG-SNVBAGLBSA-N 1 2 214.268 2.388 10 0 investigational BEAELO Oc1ccc2c(c1)[C@@H](Cc1c[nH+]c[nH]1)CC2 ZINC000003822129 183281758 /nfs/dbraw/zinc/28/17/58/183281758.db2.gz VTZPAJGVRWKMAG-SNVBAGLBSA-N 1 2 214.268 2.388 10 0 investigational BEAELO c1c[nH+]c(CNc2ccc(-c3cc[nH]n3)cc2)[nH]1 ZINC000049715297 183325458 /nfs/dbraw/zinc/32/54/58/183325458.db2.gz NCTKKHFRUQNIHR-UHFFFAOYSA-N 1 2 239.282 2.412 10 0 BEAELO CCOc1ccc(-c2cc(N)nc(C)[nH+]2)cc1 ZINC000071534061 383874791 /nfs/dbraw/zinc/87/47/91/383874791.db2.gz ABHJMJBLNAYNAZ-UHFFFAOYSA-N 1 2 229.283 2.433 10 0 BEAELO Cc1nc(N)cc(-c2ccc(F)c(F)c2)[nH+]1 ZINC000071522793 383876307 /nfs/dbraw/zinc/87/63/07/383876307.db2.gz CKEQZEVLGXVZPB-UHFFFAOYSA-N 1 2 221.210 2.312 10 0 BEAELO Cc1nc(C[NH+]2[C@H](C)COC[C@H]2C)sc1C ZINC000088601514 383915380 /nfs/dbraw/zinc/91/53/80/383915380.db2.gz ZVSYHOBKWBCOOM-RKDXNWHRSA-N 1 2 240.372 2.369 10 0 BEAELO CCCn1ncnc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000088589956 383916258 /nfs/dbraw/zinc/91/62/58/383916258.db2.gz OWPRILQBSLWNDK-NSHDSACASA-N 1 2 248.330 2.440 10 0 BEAELO Cc1nc(C[N@H+]2[C@H](C)COC[C@@H]2C)sc1C ZINC000088601511 383916436 /nfs/dbraw/zinc/91/64/36/383916436.db2.gz ZVSYHOBKWBCOOM-DTORHVGOSA-N 1 2 240.372 2.369 10 0 BEAELO Cc1nc(C[N@@H+]2[C@H](C)COC[C@@H]2C)sc1C ZINC000088601511 383916445 /nfs/dbraw/zinc/91/64/45/383916445.db2.gz ZVSYHOBKWBCOOM-DTORHVGOSA-N 1 2 240.372 2.369 10 0 BEAELO C[C@@H](NC(=S)Nc1cc[nH+]cc1)C(C)(C)C ZINC000013724784 384371807 /nfs/dbraw/zinc/37/18/07/384371807.db2.gz TYNORQRGVYNOSO-SECBINFHSA-N 1 2 237.372 2.225 10 0 BEAELO Cc1nc(C[N@@H+]2CCS[C@@H](C)C2)cs1 ZINC000076727392 384383091 /nfs/dbraw/zinc/38/30/91/384383091.db2.gz OQHDRLMQTQVJGR-QMMMGPOBSA-N 1 2 228.386 2.389 10 0 BEAELO Cc1nc(C[N@H+]2CCS[C@@H](C)C2)cs1 ZINC000076727392 384383097 /nfs/dbraw/zinc/38/30/97/384383097.db2.gz OQHDRLMQTQVJGR-QMMMGPOBSA-N 1 2 228.386 2.389 10 0 BEAELO Nc1cc2cc([C@@H](O)c3ccccc3)[nH]c2c[nH+]1 ZINC000142942891 384712923 /nfs/dbraw/zinc/71/29/23/384712923.db2.gz CLVLWBCTRRHLSX-AWEZNQCLSA-N 1 2 239.278 2.227 10 0 BEAELO CCn1cc[nH+]c1CS[C@H](C)C(C)=O ZINC000176974766 384835234 /nfs/dbraw/zinc/83/52/34/384835234.db2.gz HNWHEZJZQAXKDA-SECBINFHSA-N 1 2 212.318 2.114 10 0 BEAELO COC(=O)[C@H]([NH2+]CC=C(C)C)C(C)(C)C ZINC000119125579 384799993 /nfs/dbraw/zinc/79/99/93/384799993.db2.gz RCADCCMUUFMLPE-JTQLQIEISA-N 1 2 213.321 2.130 10 0 BEAELO c1cn(C[C@@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808182 384873778 /nfs/dbraw/zinc/87/37/78/384873778.db2.gz JFGSPJCAHNGXLH-NSHDSACASA-N 1 2 213.284 2.398 10 0 BEAELO O=C(CC1CCC1)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177780704 384858090 /nfs/dbraw/zinc/85/80/90/384858090.db2.gz CVOZQHJDDZZRJH-CYBMUJFWSA-N 1 2 247.342 2.064 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301898840 384940240 /nfs/dbraw/zinc/94/02/40/384940240.db2.gz XGNWGIORJIWEPS-XCBNKYQSSA-N 1 2 214.272 2.032 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCn3ncnc32)o1 ZINC000164797610 385040776 /nfs/dbraw/zinc/04/07/76/385040776.db2.gz VGTYKOPVUQWTGB-GHMZBOCLSA-N 1 2 246.314 2.365 10 0 BEAELO CCC(O)(CC)CNc1cc[nH+]c(C2CC2)n1 ZINC000110380115 385122644 /nfs/dbraw/zinc/12/26/44/385122644.db2.gz ZTQJYCUQXYQKHY-UHFFFAOYSA-N 1 2 235.331 2.317 10 0 BEAELO O[C@@]12CCCC[C@@H]1CN(c1cccc[nH+]1)CC2 ZINC000128349677 385256045 /nfs/dbraw/zinc/25/60/45/385256045.db2.gz GEZYFZZSJHDVBT-TZMCWYRMSA-N 1 2 232.327 2.213 10 0 BEAELO CNc1nc(C)[nH+]cc1OCc1ccccc1 ZINC000307604629 385319403 /nfs/dbraw/zinc/31/94/03/385319403.db2.gz WTDSJERSWPZHJG-UHFFFAOYSA-N 1 2 229.283 2.406 10 0 BEAELO F[C@H]1C[NH2+][C@H](c2nc(C3CCCCC3)no2)C1 ZINC000409424402 385331939 /nfs/dbraw/zinc/33/19/39/385331939.db2.gz UXZPWHXQNJJHSY-ZJUUUORDSA-N 1 2 239.294 2.490 10 0 BEAELO Cc1cc[nH+]cc1N[C@H]1COC(C)(C)C1 ZINC000335359543 385349465 /nfs/dbraw/zinc/34/94/65/385349465.db2.gz RRYKNCFCYJTADK-SNVBAGLBSA-N 1 2 206.289 2.369 10 0 BEAELO Cc1nc(C[NH2+][C@H](C)c2cccs2)no1 ZINC000182542748 385458346 /nfs/dbraw/zinc/45/83/46/385458346.db2.gz JLCPSJJGVNXORE-SSDOTTSWSA-N 1 2 223.301 2.290 10 0 BEAELO Cn1cc[nH+]c1-c1ccc(Cl)c(O)c1 ZINC000156748868 385467066 /nfs/dbraw/zinc/46/70/66/385467066.db2.gz OEMQNZWGDKZVME-UHFFFAOYSA-N 1 2 208.648 2.446 10 0 BEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000158001938 385542760 /nfs/dbraw/zinc/54/27/60/385542760.db2.gz HGERGNINTFXAIN-CYBMUJFWSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000158001938 385542762 /nfs/dbraw/zinc/54/27/62/385542762.db2.gz HGERGNINTFXAIN-CYBMUJFWSA-N 1 2 246.314 2.017 10 0 BEAELO CC(C)CC[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408197891 385608592 /nfs/dbraw/zinc/60/85/92/385608592.db2.gz KGHPLOGGUZRMIJ-SNVBAGLBSA-N 1 2 238.335 2.083 10 0 BEAELO CC(C)CC[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408197891 385608595 /nfs/dbraw/zinc/60/85/95/385608595.db2.gz KGHPLOGGUZRMIJ-SNVBAGLBSA-N 1 2 238.335 2.083 10 0 BEAELO CC(C)C(=O)N1CCc2c([nH+]c(C(C)C)n2C)C1 ZINC000112670892 385841782 /nfs/dbraw/zinc/84/17/82/385841782.db2.gz MJTHOQPRXHTSDL-UHFFFAOYSA-N 1 2 249.358 2.084 10 0 BEAELO CC(=O)N1CC[C@H](c2c[nH+]c[nH]2)c2ccccc21 ZINC000616589564 385795410 /nfs/dbraw/zinc/79/54/10/385795410.db2.gz RDTUHBRUNQKRAP-NSHDSACASA-N 1 2 241.294 2.298 10 0 BEAELO CC(=O)N1CC[C@H](c2c[nH]c[nH+]2)c2ccccc21 ZINC000616589564 385795413 /nfs/dbraw/zinc/79/54/13/385795413.db2.gz RDTUHBRUNQKRAP-NSHDSACASA-N 1 2 241.294 2.298 10 0 BEAELO CC(C)(C)[N@@H+]1CCCOC[C@H]1OC(F)(F)F ZINC000616598339 385871445 /nfs/dbraw/zinc/87/14/45/385871445.db2.gz WVXLXWGSXAGQGQ-MRVPVSSYSA-N 1 2 241.253 2.370 10 0 BEAELO CC(C)(C)[N@H+]1CCCOC[C@H]1OC(F)(F)F ZINC000616598339 385871448 /nfs/dbraw/zinc/87/14/48/385871448.db2.gz WVXLXWGSXAGQGQ-MRVPVSSYSA-N 1 2 241.253 2.370 10 0 BEAELO CC[N@@H+]1CCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616644287 386151308 /nfs/dbraw/zinc/15/13/08/386151308.db2.gz ATWSZKLVEDXOHQ-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO CC[N@H+]1CCO[C@@H](c2cc3ccccc3nn2)C1 ZINC000616644287 386151313 /nfs/dbraw/zinc/15/13/13/386151313.db2.gz ATWSZKLVEDXOHQ-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO C[C@@H](CF)Nc1cc(N)cc(Cl)[nH+]1 ZINC000575581910 386241002 /nfs/dbraw/zinc/24/10/02/386241002.db2.gz ADIVDRPLOICZJC-YFKPBYRVSA-N 1 2 203.648 2.087 10 0 BEAELO FC(F)n1ccnc1C[N@@H+]1C[C@H]2CCC[C@H]21 ZINC000334789596 386853354 /nfs/dbraw/zinc/85/33/54/386853354.db2.gz ZIGSTZUYNMIMDE-RKDXNWHRSA-N 1 2 227.258 2.263 10 0 BEAELO FC(F)n1ccnc1C[N@H+]1C[C@H]2CCC[C@H]21 ZINC000334789596 386853355 /nfs/dbraw/zinc/85/33/55/386853355.db2.gz ZIGSTZUYNMIMDE-RKDXNWHRSA-N 1 2 227.258 2.263 10 0 BEAELO c1ccc(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)[nH+]c1 ZINC000301832153 386881835 /nfs/dbraw/zinc/88/18/35/386881835.db2.gz TWLHVYGZBHSPBZ-CYZMBNFOSA-N 1 2 230.311 2.451 10 0 BEAELO c1coc([C@@H]2CCC[N@H+]2Cc2ncc[nH]2)c1 ZINC000116293372 386932922 /nfs/dbraw/zinc/93/29/22/386932922.db2.gz KPQUZEOANFTKRJ-JTQLQIEISA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@@H]2CCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000116293372 386932926 /nfs/dbraw/zinc/93/29/26/386932926.db2.gz KPQUZEOANFTKRJ-JTQLQIEISA-N 1 2 217.272 2.340 10 0 BEAELO C[C@@H](CC(=O)NCc1[nH]cc[nH+]1)C(C)(C)C ZINC000070651569 387071977 /nfs/dbraw/zinc/07/19/77/387071977.db2.gz JNSSFFHTKNKAEW-VIFPVBQESA-N 1 2 223.320 2.098 10 0 BEAELO Cn1c(C[N@@H+]2CCCC3(CC3)C2)nnc1C1CC1 ZINC000186962620 387155445 /nfs/dbraw/zinc/15/54/45/387155445.db2.gz SGFMMPNMDROZNJ-UHFFFAOYSA-N 1 2 246.358 2.069 10 0 BEAELO Cn1c(C[N@H+]2CCCC3(CC3)C2)nnc1C1CC1 ZINC000186962620 387155450 /nfs/dbraw/zinc/15/54/50/387155450.db2.gz SGFMMPNMDROZNJ-UHFFFAOYSA-N 1 2 246.358 2.069 10 0 BEAELO CCOc1ccc(-c2cc[nH+]c(N)c2C=O)cc1 ZINC000575602698 387373082 /nfs/dbraw/zinc/37/30/82/387373082.db2.gz SXNFMGXAMSTQMY-UHFFFAOYSA-N 1 2 242.278 2.372 10 0 BEAELO CC(C)CC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121685991 387392331 /nfs/dbraw/zinc/39/23/31/387392331.db2.gz JFUZMOZVZCNZIQ-LLVKDONJSA-N 1 2 222.336 2.378 10 0 BEAELO CC(C)CC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121685991 387392333 /nfs/dbraw/zinc/39/23/33/387392333.db2.gz JFUZMOZVZCNZIQ-LLVKDONJSA-N 1 2 222.336 2.378 10 0 BEAELO CCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121742631 387403928 /nfs/dbraw/zinc/40/39/28/387403928.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121742631 387403932 /nfs/dbraw/zinc/40/39/32/387403932.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121742631 387403936 /nfs/dbraw/zinc/40/39/36/387403936.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121742631 387403940 /nfs/dbraw/zinc/40/39/40/387403940.db2.gz XZMSPCJZMGZYDC-SNVBAGLBSA-N 1 2 208.309 2.132 10 0 BEAELO C[C@@H]1CS[C@@H](c2ccncc2Cl)[NH2+]1 ZINC000575557453 387698092 /nfs/dbraw/zinc/69/80/92/387698092.db2.gz UOQOFEGMZFVVKM-MUWHJKNJSA-N 1 2 214.721 2.459 10 0 BEAELO c1ccc(NCCC2=CCOCC2)[nH+]c1 ZINC000158081961 387891782 /nfs/dbraw/zinc/89/17/82/387891782.db2.gz YHCKFDQTMIWTNE-UHFFFAOYSA-N 1 2 204.273 2.230 10 0 BEAELO Nc1[nH+]cnc(N[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC000378671754 388482813 /nfs/dbraw/zinc/48/28/13/388482813.db2.gz KQVLKQOJDRTBTP-XLPZGREQSA-N 1 2 238.722 2.313 10 0 BEAELO Nc1nc[nH+]c(N[C@@H]2CCC[C@H]3C[C@H]32)c1Cl ZINC000378671754 388482816 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Cc1nnc(C[NH2+]Cc2cccs2)s1 ZINC000134665549 591946700 /nfs/dbraw/zinc/94/67/00/591946700.db2.gz IXSBBYDWDZXDFC-UHFFFAOYSA-N 1 2 225.342 2.198 10 0 BEAELO CCC[C@H]1C[C@@H]1Nc1cc(NC)nc[nH+]1 ZINC000233438015 642672420 /nfs/dbraw/zinc/67/24/20/642672420.db2.gz NUXQBZQNDXVBMX-IUCAKERBSA-N 1 2 206.293 2.119 10 0 BEAELO COCCC[NH2+]c1ccc2c(c1)CCN2C ZINC000082711179 644396033 /nfs/dbraw/zinc/39/60/33/644396033.db2.gz KNKDJCBNVDENPX-UHFFFAOYSA-N 1 2 220.316 2.127 10 0 BEAELO CCC1CCC(NC(=O)C[C@H]([NH3+])C(F)F)CC1 ZINC000724758032 710746129 /nfs/dbraw/zinc/74/61/29/710746129.db2.gz JBSSMPNEWQSJHO-RTBKNWGFSA-N 1 2 248.317 2.054 10 0 BEAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1scnc1Cl ZINC000721955062 711947923 /nfs/dbraw/zinc/94/79/23/711947923.db2.gz LEZOINYMHLZFOJ-YUMQZZPRSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1scnc1Cl ZINC000721955062 711947926 /nfs/dbraw/zinc/94/79/26/711947926.db2.gz LEZOINYMHLZFOJ-YUMQZZPRSA-N 1 2 246.763 2.142 10 0 BEAELO Cc1ncc(C[NH2+][C@H]2COc3ccccc32)o1 ZINC000700828541 712007135 /nfs/dbraw/zinc/00/71/35/712007135.db2.gz ACYPBKITTYUKHD-LBPRGKRZSA-N 1 2 230.267 2.206 10 0 BEAELO Clc1cnc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cn1 ZINC000706916943 712158365 /nfs/dbraw/zinc/15/83/65/712158365.db2.gz UEAYNMCTEUIHHB-WCBMZHEXSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1cnc(C[N@H+]2C[C@@H]3CCC[C@H]32)cn1 ZINC000706916943 712158366 /nfs/dbraw/zinc/15/83/66/712158366.db2.gz UEAYNMCTEUIHHB-WCBMZHEXSA-N 1 2 223.707 2.114 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]C/C=C\Cl)o1 ZINC000379300900 712372613 /nfs/dbraw/zinc/37/26/13/712372613.db2.gz SLXIUSQXRBAUQW-TUUFMJSCSA-N 1 2 200.669 2.386 10 0 BEAELO Cc1ccc(F)c(C[NH2+][C@@H](C)c2cn(C)nn2)c1 ZINC000720594767 712856763 /nfs/dbraw/zinc/85/67/63/712856763.db2.gz HNCKJJXFQQOLOY-JTQLQIEISA-N 1 2 248.305 2.113 10 0 BEAELO Cc1ccc(C)c(Cn2c[nH+]c(N)c2)c1 ZINC000685964159 538911005 /nfs/dbraw/zinc/91/10/05/538911005.db2.gz CRYWHXWQXSYXCT-UHFFFAOYSA-N 1 2 201.273 2.130 10 0 BEAELO Nc1cn(Cc2ccc(Cl)c(F)c2)c[nH+]1 ZINC000685964304 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/nfs/dbraw/zinc/18/56/15/178185615.db2.gz ODLFTXLTBYILCT-LLVKDONJSA-N 1 2 223.320 2.258 10 0 BEAELO Cc1cc(N[C@H]2COc3ccccc32)nc[nH+]1 ZINC000070079342 178190691 /nfs/dbraw/zinc/19/06/91/178190691.db2.gz QDMXPEUVJJDMEM-NSHDSACASA-N 1 2 227.267 2.331 10 0 BEAELO CSc1[nH+]c(NN)c(Cl)cc1Cl ZINC000226660638 398239929 /nfs/dbraw/zinc/23/99/29/398239929.db2.gz GSMVRHKZYTWDTD-UHFFFAOYSA-N 1 2 224.116 2.396 10 0 BEAELO CCOC(=O)[C@@H]1c2ccccc2CC[N@H+]1CC ZINC000149376820 346842226 /nfs/dbraw/zinc/84/22/26/346842226.db2.gz DNUPXBIBMSKWMB-ZDUSSCGKSA-N 1 2 233.311 2.169 10 0 BEAELO CCOC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CC ZINC000149376820 346842230 /nfs/dbraw/zinc/84/22/30/346842230.db2.gz DNUPXBIBMSKWMB-ZDUSSCGKSA-N 1 2 233.311 2.169 10 0 BEAELO CCCn1cc([C@H]2[NH2+]CCCS2)cn1 ZINC000233430123 342861316 /nfs/dbraw/zinc/86/13/16/342861316.db2.gz MHNNQLOFAMUYLG-JTQLQIEISA-N 1 2 211.334 2.018 10 0 BEAELO Cn1cc[nH+]c1CNc1ccccc1F ZINC000034937782 342882477 /nfs/dbraw/zinc/88/24/77/342882477.db2.gz RNHQIGYLWOKMEI-UHFFFAOYSA-N 1 2 205.236 2.171 10 0 BEAELO Cc1[nH+]c(Br)c2ccccn12 ZINC000020263923 342978918 /nfs/dbraw/zinc/97/89/18/342978918.db2.gz WPVHAIYEFKCIHX-UHFFFAOYSA-N 1 2 211.062 2.405 10 0 BEAELO CCOC(=O)c1ccccc1-c1c[nH]c[nH+]1 ZINC000117490862 343000157 /nfs/dbraw/zinc/00/01/57/343000157.db2.gz BHVDZPDEUQLWDQ-UHFFFAOYSA-N 1 2 216.240 2.253 10 0 BEAELO CC[N@@H+]1CCC(NC(=O)c2ccccc2)=C(F)C1 ZINC000118528023 343047558 /nfs/dbraw/zinc/04/75/58/343047558.db2.gz YOPNFMKJRNFMKZ-UHFFFAOYSA-N 1 2 248.301 2.323 10 0 BEAELO CC[N@H+]1CCC(NC(=O)c2ccccc2)=C(F)C1 ZINC000118528023 343047559 /nfs/dbraw/zinc/04/75/59/343047559.db2.gz YOPNFMKJRNFMKZ-UHFFFAOYSA-N 1 2 248.301 2.323 10 0 BEAELO Nc1ccc(-c2cc(C=O)ccc2F)c[nH+]1 ZINC000584880600 343081095 /nfs/dbraw/zinc/08/10/95/343081095.db2.gz IWMYTTBGFFVCEB-UHFFFAOYSA-N 1 2 216.215 2.113 10 0 BEAELO Nc1ccc(-c2cccc(C=O)c2F)c[nH+]1 ZINC000584880493 343081347 /nfs/dbraw/zinc/08/13/47/343081347.db2.gz ANAHKJNZDQWKGA-UHFFFAOYSA-N 1 2 216.215 2.113 10 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CNc1[nH+]cnc(Nc2cc(C)cc(C)c2)c1N ZINC000040681762 187264397 /nfs/dbraw/zinc/26/43/97/187264397.db2.gz VBQTXJKVCKVXOZ-UHFFFAOYSA-N 1 2 243.314 2.461 10 0 BEAELO CNc1nc[nH+]c(Nc2cc(C)cc(C)c2)c1N ZINC000040681762 187264395 /nfs/dbraw/zinc/26/43/95/187264395.db2.gz VBQTXJKVCKVXOZ-UHFFFAOYSA-N 1 2 243.314 2.461 10 0 BEAELO CCc1csc([C@H]2CSCC[N@@H+]2C)n1 ZINC000234198705 343647720 /nfs/dbraw/zinc/64/77/20/343647720.db2.gz WEXBRRBDGAEHAD-SECBINFHSA-N 1 2 228.386 2.425 10 0 BEAELO CCc1csc([C@H]2CSCC[N@H+]2C)n1 ZINC000234198705 343647721 /nfs/dbraw/zinc/64/77/21/343647721.db2.gz WEXBRRBDGAEHAD-SECBINFHSA-N 1 2 228.386 2.425 10 0 BEAELO FC(F)(F)c1c[nH+]c(NCC2(F)CC2)[nH]1 ZINC000379971491 343662360 /nfs/dbraw/zinc/66/23/60/343662360.db2.gz BLQLBHBPFOHMIN-UHFFFAOYSA-N 1 2 223.173 2.343 10 0 BEAELO CNc1[nH+]cccc1CSc1nnc(C)o1 ZINC000052756640 187271492 /nfs/dbraw/zinc/27/14/92/187271492.db2.gz DGHVZJHTIQYEOT-UHFFFAOYSA-N 1 2 236.300 2.107 10 0 BEAELO Fc1ccc([C@@H]2[NH2+]CCS2)c(F)c1 ZINC000050522750 343781994 /nfs/dbraw/zinc/78/19/94/343781994.db2.gz LSYOEFWWDYJDAZ-SECBINFHSA-N 1 2 201.241 2.300 10 0 BEAELO Cc1ccc(OCCn2cc[nH+]c2)c(C=O)c1 ZINC000071408782 187275374 /nfs/dbraw/zinc/27/53/74/187275374.db2.gz YGEBINQCIDEHAE-UHFFFAOYSA-N 1 2 230.267 2.083 10 0 BEAELO Nc1cc(CCC2CCCCC2)[nH+]cn1 ZINC000575622388 343869991 /nfs/dbraw/zinc/86/99/91/343869991.db2.gz UYIBBZOUPSRLIR-UHFFFAOYSA-N 1 2 205.305 2.402 10 0 BEAELO Nc1ccc(C2=CCCn3cc[nH+]c32)cc1 ZINC000028762467 344413489 /nfs/dbraw/zinc/41/34/89/344413489.db2.gz RJDSXKLFYHZPHB-UHFFFAOYSA-N 1 2 211.268 2.301 10 0 BEAELO CCOC(=O)N1CCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616615777 344544020 /nfs/dbraw/zinc/54/40/20/344544020.db2.gz SFBBYJUNWCUZRJ-JTQLQIEISA-N 1 2 223.276 2.093 10 0 BEAELO CCOC(=O)N1CCCC[C@H]1c1c[nH]c[nH+]1 ZINC000616615777 344544022 /nfs/dbraw/zinc/54/40/22/344544022.db2.gz SFBBYJUNWCUZRJ-JTQLQIEISA-N 1 2 223.276 2.093 10 0 BEAELO Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C)O2)c(C)[nH+]1 ZINC000177694301 344580582 /nfs/dbraw/zinc/58/05/82/344580582.db2.gz WNJGZXPFPNUXMZ-SKDRFNHKSA-N 1 2 234.299 2.204 10 0 BEAELO Cc1cnc([C@@H](C)Nc2cc[nH+]cc2F)o1 ZINC000641508254 362469282 /nfs/dbraw/zinc/46/92/82/362469282.db2.gz OSKLJHGFWQOBCK-MRVPVSSYSA-N 1 2 221.235 2.112 10 0 BEAELO CC[C@@H]1CC[N@H+](Cc2nnc(Cl)s2)C1 ZINC000166113523 344741575 /nfs/dbraw/zinc/74/15/75/344741575.db2.gz GVDIPQSNBNQWEQ-SSDOTTSWSA-N 1 2 231.752 2.423 10 0 BEAELO CC[C@@H]1CC[N@@H+](Cc2nnc(Cl)s2)C1 ZINC000166113523 344741578 /nfs/dbraw/zinc/74/15/78/344741578.db2.gz GVDIPQSNBNQWEQ-SSDOTTSWSA-N 1 2 231.752 2.423 10 0 BEAELO Cc1ccc(NCc2[nH]cc[nH+]2)c(C)c1O ZINC000049715369 178768087 /nfs/dbraw/zinc/76/80/87/178768087.db2.gz RIQUORIHUZMJLP-UHFFFAOYSA-N 1 2 217.272 2.344 10 0 BEAELO CCc1nnc(C[N@@H+]2CCC[C@@H]2c2ccco2)[nH]1 ZINC000158588794 345352952 /nfs/dbraw/zinc/35/29/52/345352952.db2.gz HABMVUJNLOTNSY-SNVBAGLBSA-N 1 2 246.314 2.297 10 0 BEAELO CCc1nnc(C[N@H+]2CCC[C@@H]2c2ccco2)[nH]1 ZINC000158588794 345352956 /nfs/dbraw/zinc/35/29/56/345352956.db2.gz HABMVUJNLOTNSY-SNVBAGLBSA-N 1 2 246.314 2.297 10 0 BEAELO CC[C@@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974228 345427622 /nfs/dbraw/zinc/42/76/22/345427622.db2.gz BDRVDOLXPHAMQB-UONOGXRCSA-N 1 2 247.338 2.085 10 0 BEAELO COC(=O)[C@H](C)[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000113562994 345754395 /nfs/dbraw/zinc/75/43/95/345754395.db2.gz VSJNWVCUBPAENV-QWRGUYRKSA-N 1 2 246.310 2.113 10 0 BEAELO COC(=O)[C@H](C)[N@@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000113562994 345754400 /nfs/dbraw/zinc/75/44/00/345754400.db2.gz VSJNWVCUBPAENV-QWRGUYRKSA-N 1 2 246.310 2.113 10 0 BEAELO CC(C)(C)OC(=O)c1ccc2[nH+]c(N)[nH]c2c1 ZINC000141821853 345851232 /nfs/dbraw/zinc/85/12/32/345851232.db2.gz SXEIINBWQHDSBT-UHFFFAOYSA-N 1 2 233.271 2.100 10 0 BEAELO COc1cc(-c2c[nH+]cc(N)c2C)ccn1 ZINC000722747571 537929822 /nfs/dbraw/zinc/92/98/22/537929822.db2.gz AUJJHGMMENPFSM-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO CC(C)[N@@H+]1CC(C)(C)N[C@H]1c1ccco1 ZINC000019319895 187313531 /nfs/dbraw/zinc/31/35/31/187313531.db2.gz LFZRIMVPGHCLNP-LLVKDONJSA-N 1 2 208.305 2.370 10 0 BEAELO CC(C)[N@H+]1CC(C)(C)N[C@H]1c1ccco1 ZINC000019319895 187313533 /nfs/dbraw/zinc/31/35/33/187313533.db2.gz LFZRIMVPGHCLNP-LLVKDONJSA-N 1 2 208.305 2.370 10 0 BEAELO CC(C)N1CC(C)(C)[NH2+][C@H]1c1ccco1 ZINC000019319895 187313529 /nfs/dbraw/zinc/31/35/29/187313529.db2.gz LFZRIMVPGHCLNP-LLVKDONJSA-N 1 2 208.305 2.370 10 0 BEAELO Cc1cccc(N2[NH2+]C[C@@H]3C(=O)CCC[C@H]32)c1C ZINC000261507361 179123416 /nfs/dbraw/zinc/12/34/16/179123416.db2.gz HTPYWUSNYJOEHF-GXTWGEPZSA-N 1 2 244.338 2.366 10 0 BEAELO Cc1ccccc1[C@H](C)[NH2+]Cc1nccc(N)n1 ZINC000181552871 179338916 /nfs/dbraw/zinc/33/89/16/179338916.db2.gz FAYDAKLOVNNIOY-NSHDSACASA-N 1 2 242.326 2.218 10 0 BEAELO Cc1cccn2c([C@H](N)C(F)(F)F)c[nH+]c12 ZINC000031919730 179355490 /nfs/dbraw/zinc/35/54/90/179355490.db2.gz GECBSZCRLZYQJZ-QMMMGPOBSA-N 1 2 229.205 2.205 10 0 BEAELO c1ccc(N2CC3(CCC3)[C@H]3COC[C@@H]32)[nH+]c1 ZINC000334727562 133741726 /nfs/dbraw/zinc/74/17/26/133741726.db2.gz LINITZYMFMQAPF-RYUDHWBXSA-N 1 2 230.311 2.087 10 0 BEAELO Nc1cn(Cc2cccc(F)c2Cl)c[nH+]1 ZINC000725247237 538011035 /nfs/dbraw/zinc/01/10/35/538011035.db2.gz KZBLPRANFNNSNY-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO Cc1nc([C@@H]([NH3+])c2ccco2)sc1C ZINC000011822564 180038903 /nfs/dbraw/zinc/03/89/03/180038903.db2.gz MWJBWGKQPDDSFE-VIFPVBQESA-N 1 2 208.286 2.401 10 0 BEAELO Cc1cc([C@H]([NH3+])c2noc(C)n2)c(C)s1 ZINC000049687978 180039468 /nfs/dbraw/zinc/03/94/68/180039468.db2.gz XZKLMHCLOAJTBW-VIFPVBQESA-N 1 2 223.301 2.104 10 0 BEAELO CC[C@@H](NCc1cscn1)c1[nH+]ccn1C ZINC000132140151 191025429 /nfs/dbraw/zinc/02/54/29/191025429.db2.gz GLQQSFJZPYKRSN-SNVBAGLBSA-N 1 2 236.344 2.118 10 0 BEAELO Cc1[nH+]c2cc(Cl)ccc2n1CCCO ZINC000040402288 180079508 /nfs/dbraw/zinc/07/95/08/180079508.db2.gz XKPCFLQOHAXRQI-UHFFFAOYSA-N 1 2 224.691 2.381 10 0 BEAELO Cc1[nH]c2cc3c(cc2[nH+]1)NC(=O)C3(C)C ZINC000029307548 180087814 /nfs/dbraw/zinc/08/78/14/180087814.db2.gz GVTSHWPIZMVHHT-UHFFFAOYSA-N 1 2 215.256 2.101 10 0 BEAELO Cc1[nH]c2cc3c(cc2[nH+]1)C(C)(C)C(=O)N3 ZINC000029307548 180087816 /nfs/dbraw/zinc/08/78/16/180087816.db2.gz GVTSHWPIZMVHHT-UHFFFAOYSA-N 1 2 215.256 2.101 10 0 BEAELO Cc1nc2ccc(-n3cc[nH+]c3)cc2nc1C ZINC000039124251 180088097 /nfs/dbraw/zinc/08/80/97/180088097.db2.gz AOSOWDMAZMVJMK-UHFFFAOYSA-N 1 2 224.267 2.432 10 0 BEAELO Cc1[nH+]c2ccc(Cl)cc2n1C[C@H](C)O ZINC000005116462 180090505 /nfs/dbraw/zinc/09/05/05/180090505.db2.gz BRCANRFFTFNXPU-ZETCQYMHSA-N 1 2 224.691 2.379 10 0 BEAELO Cc1[nH+]c2ccc(Cl)cc2n1CCCO ZINC000040402290 180090533 /nfs/dbraw/zinc/09/05/33/180090533.db2.gz VNASDNYFOVFSDD-UHFFFAOYSA-N 1 2 224.691 2.381 10 0 BEAELO Cc1nc(N[C@@H]2C[C@@H]2C)c2c([nH+]1)CCCC2 ZINC000302041192 180069763 /nfs/dbraw/zinc/06/97/63/180069763.db2.gz IBEHOXVJPUNQPF-QPUJVOFHSA-N 1 2 217.316 2.484 10 0 BEAELO Cc1nc(N[C@@H]2CCO[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302069626 180070879 /nfs/dbraw/zinc/07/08/79/180070879.db2.gz DRJWIIRCOZVIIK-JOYOIKCWSA-N 1 2 247.342 2.253 10 0 BEAELO c1cn(-c2ccccc2-n2cc[nH+]c2)cn1 ZINC000220216798 350166955 /nfs/dbraw/zinc/16/69/55/350166955.db2.gz HUOKFCXSSKKFOG-UHFFFAOYSA-N 1 2 210.240 2.058 10 0 BEAELO Cc1[nH+]c2ccccc2n1CCCC(N)=S ZINC000019471198 180104637 /nfs/dbraw/zinc/10/46/37/180104637.db2.gz CMXQSWSEMHWDAZ-UHFFFAOYSA-N 1 2 233.340 2.411 10 0 BEAELO Cc1[nH+]c[nH]c1CNC(=O)C[C@H](C)C(C)(C)C ZINC000331083107 180118577 /nfs/dbraw/zinc/11/85/77/180118577.db2.gz MUXHQIJFPUJXPM-VIFPVBQESA-N 1 2 237.347 2.407 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1ccc2c(c1)OCO2 ZINC000054793947 180122271 /nfs/dbraw/zinc/12/22/71/180122271.db2.gz ZAQICNNYCQPMRG-UHFFFAOYSA-N 1 2 231.255 2.059 10 0 BEAELO COc1cc(C=O)cc2c(N(C)C)cc(C)[nH+]c12 ZINC000034320064 350169060 /nfs/dbraw/zinc/16/90/60/350169060.db2.gz VZTSVYQGSWRLHZ-UHFFFAOYSA-N 1 2 244.294 2.430 10 0 BEAELO Cc1nc(NC2(CO)CCC(C)CC2)cc[nH+]1 ZINC000054936583 180198676 /nfs/dbraw/zinc/19/86/76/180198676.db2.gz LBEQCWXEAGTVEU-UHFFFAOYSA-N 1 2 235.331 2.138 10 0 BEAELO Cc1nc([C@@H](C)Nc2cc[nH+]c(C)n2)cs1 ZINC000336776260 180182093 /nfs/dbraw/zinc/18/20/93/180182093.db2.gz FHQTWSHZRHBRPD-SSDOTTSWSA-N 1 2 234.328 2.145 10 0 BEAELO CC(C)(C)[N@@H+]1CCCOC[C@@H]1OC(F)(F)F ZINC000616600008 350778643 /nfs/dbraw/zinc/77/86/43/350778643.db2.gz WVXLXWGSXAGQGQ-QMMMGPOBSA-N 1 2 241.253 2.370 10 0 BEAELO CC(C)(C)[N@H+]1CCCOC[C@@H]1OC(F)(F)F ZINC000616600008 350778646 /nfs/dbraw/zinc/77/86/46/350778646.db2.gz WVXLXWGSXAGQGQ-QMMMGPOBSA-N 1 2 241.253 2.370 10 0 BEAELO Nc1ccc(SCc2cncs2)c[nH+]1 ZINC000159625350 350955081 /nfs/dbraw/zinc/95/50/81/350955081.db2.gz FJUHCEQUKMZWEN-UHFFFAOYSA-N 1 2 223.326 2.413 10 0 BEAELO Cc1csc([C@@H]2[NH2+]C[C@@H](C)CS2)n1 ZINC000159622154 350955291 /nfs/dbraw/zinc/95/52/91/350955291.db2.gz VMIMEBGSCXAOSD-HTRCEHHLSA-N 1 2 214.359 2.423 10 0 BEAELO C[C@@H](Nc1c[nH+]cc(N)c1)C(C)(F)F ZINC000306784453 351035546 /nfs/dbraw/zinc/03/55/46/351035546.db2.gz MDCMUEDWMLWVAW-ZCFIWIBFSA-N 1 2 201.220 2.119 10 0 BEAELO COC(=O)N1CCC[C@@H](Nc2cccc[nH+]2)CC1 ZINC000616629659 351100808 /nfs/dbraw/zinc/10/08/08/351100808.db2.gz IRZDNJJJMUWPLU-LLVKDONJSA-N 1 2 249.314 2.114 10 0 BEAELO COC(=O)N1CCCCC[C@H]1c1c[nH+]c[nH]1 ZINC000616624193 351091317 /nfs/dbraw/zinc/09/13/17/351091317.db2.gz XUVUYOJKJGNALM-JTQLQIEISA-N 1 2 223.276 2.093 10 0 BEAELO COC(=O)N1CCCCC[C@H]1c1c[nH]c[nH+]1 ZINC000616624193 351091319 /nfs/dbraw/zinc/09/13/19/351091319.db2.gz XUVUYOJKJGNALM-JTQLQIEISA-N 1 2 223.276 2.093 10 0 BEAELO CCOC(=O)N1CCC[C@@H](n2cc[nH+]c2)CC1 ZINC000616627362 351094905 /nfs/dbraw/zinc/09/49/05/351094905.db2.gz KGFKUZUZIYDNDX-LLVKDONJSA-N 1 2 237.303 2.067 10 0 BEAELO C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nn2)CC(C)(C)C1 ZINC000398405295 351137583 /nfs/dbraw/zinc/13/75/83/351137583.db2.gz OSTIKRSZPIKDPV-NXEZZACHSA-N 1 2 222.336 2.109 10 0 BEAELO C[C@@H]1C[C@@H]([NH2+]Cc2cn[nH]n2)CC(C)(C)C1 ZINC000398405295 351137584 /nfs/dbraw/zinc/13/75/84/351137584.db2.gz OSTIKRSZPIKDPV-NXEZZACHSA-N 1 2 222.336 2.109 10 0 BEAELO CN1c2ccccc2NC[C@H]1c1cc[nH+]c(N)c1 ZINC000616684540 351255177 /nfs/dbraw/zinc/25/51/77/351255177.db2.gz URNMNTISORWOGI-ZDUSSCGKSA-N 1 2 240.310 2.097 10 0 BEAELO C[C@H]1CC[NH2+][C@@H](c2ccns2)S1 ZINC000404432657 351448879 /nfs/dbraw/zinc/44/88/79/351448879.db2.gz CCAPSRDGCTYCPD-POYBYMJQSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@@H]1C[NH2+][C@H](c2ccns2)SC1 ZINC000404443424 351458994 /nfs/dbraw/zinc/45/89/94/351458994.db2.gz LXZRRYZTSKPJMK-SVRRBLITSA-N 1 2 200.332 2.114 10 0 BEAELO CCc1nc([C@H]2[NH2+]C[C@@H](C)S2)cs1 ZINC000307154795 351504498 /nfs/dbraw/zinc/50/44/98/351504498.db2.gz LGWJFJWNBMBCMX-MUWHJKNJSA-N 1 2 214.359 2.429 10 0 BEAELO CCc1nc([C@H]2[NH2+]C[C@H](C)S2)cs1 ZINC000307154796 351505074 /nfs/dbraw/zinc/50/50/74/351505074.db2.gz LGWJFJWNBMBCMX-RCOVLWMOSA-N 1 2 214.359 2.429 10 0 BEAELO Cc1c(N)c[nH+]cc1-c1cccc(O)c1F ZINC000725270972 538103007 /nfs/dbraw/zinc/10/30/07/538103007.db2.gz WLAHSRSVPXSLII-UHFFFAOYSA-N 1 2 218.231 2.484 10 0 BEAELO CCc1nc([C@H]2[NH2+][C@@H](C)CS2)cs1 ZINC000307533487 352639384 /nfs/dbraw/zinc/63/93/84/352639384.db2.gz ORJXQTDFGNRWCE-RCOVLWMOSA-N 1 2 214.359 2.429 10 0 BEAELO Clc1cnc(NCc2[nH]cc[nH+]2)s1 ZINC000306289197 353001913 /nfs/dbraw/zinc/00/19/13/353001913.db2.gz NYPMPEFIERBTBG-UHFFFAOYSA-N 1 2 214.681 2.132 10 0 BEAELO C[C@H]1CCC[N@@H+]1Cc1cc(Br)no1 ZINC000306299078 353002926 /nfs/dbraw/zinc/00/29/26/353002926.db2.gz DTEIARPFSAKHRH-ZETCQYMHSA-N 1 2 245.120 2.421 10 0 BEAELO C[C@H]1CCC[N@H+]1Cc1cc(Br)no1 ZINC000306299078 353002928 /nfs/dbraw/zinc/00/29/28/353002928.db2.gz DTEIARPFSAKHRH-ZETCQYMHSA-N 1 2 245.120 2.421 10 0 BEAELO [NH3+][C@H](c1cnns1)c1ccccc1Cl ZINC000160031747 353110525 /nfs/dbraw/zinc/11/05/25/353110525.db2.gz ADTLQJKRZVKYCR-VIFPVBQESA-N 1 2 225.704 2.240 10 0 BEAELO CC[C@H]1CS[C@@H](c2cscn2)[NH2+]1 ZINC000126798600 353255164 /nfs/dbraw/zinc/25/51/64/353255164.db2.gz DUWRVNWUVSRZNS-XPUUQOCRSA-N 1 2 200.332 2.257 10 0 BEAELO CC(C)Cn1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000026474281 188254693 /nfs/dbraw/zinc/25/46/93/188254693.db2.gz GAILBOFLQAWDJY-NSHDSACASA-N 1 2 247.342 2.485 10 0 BEAELO Cc1cc([NH2+][C@@H]2CCCC[C@H]2O)ccc1N ZINC000051999056 188299587 /nfs/dbraw/zinc/29/95/87/188299587.db2.gz IJKKSQDGKCIPNQ-CHWSQXEVSA-N 1 2 220.316 2.293 10 0 BEAELO CC(C)(C)[N@@H+]1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000057599266 188301536 /nfs/dbraw/zinc/30/15/36/188301536.db2.gz JERBWURCWWHQBK-QWHCGFSZSA-N 1 2 235.327 2.177 10 0 BEAELO CC(C)(C)[N@H+]1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000057599266 188301538 /nfs/dbraw/zinc/30/15/38/188301538.db2.gz JERBWURCWWHQBK-QWHCGFSZSA-N 1 2 235.327 2.177 10 0 BEAELO Nc1ccc(Sc2ccncc2)c[nH+]1 ZINC000087110138 353488982 /nfs/dbraw/zinc/48/89/82/353488982.db2.gz DNWPRPRXPGMRQF-UHFFFAOYSA-N 1 2 203.270 2.210 10 0 BEAELO Fc1cccc(Cl)c1[C@H]1[NH2+]CCCO1 ZINC000049815903 181000182 /nfs/dbraw/zinc/00/01/82/181000182.db2.gz UZGFDDABBSUNRE-JTQLQIEISA-N 1 2 215.655 2.488 10 0 BEAELO Fc1cccc(Cl)c1[C@@H]1COCC[NH2+]1 ZINC000058432028 181000685 /nfs/dbraw/zinc/00/06/85/181000685.db2.gz RJWGYTVFBRHDJD-VIFPVBQESA-N 1 2 215.655 2.140 10 0 BEAELO Fc1cccc(NCCn2cc[nH+]c2)c1 ZINC000053520472 181001776 /nfs/dbraw/zinc/00/17/76/181001776.db2.gz YNRXOJSTUBUQDL-UHFFFAOYSA-N 1 2 205.236 2.134 10 0 BEAELO Cc1cc(C[NH+]2CCC(c3ccn[nH]3)CC2)no1 ZINC000195505994 353765691 /nfs/dbraw/zinc/76/56/91/353765691.db2.gz XRLUTVNAWULNBQ-UHFFFAOYSA-N 1 2 246.314 2.086 10 0 BEAELO Cc1ccc(C=O)c(-c2[nH+]ccn2C)c1 ZINC000129710578 355921438 /nfs/dbraw/zinc/92/14/38/355921438.db2.gz WNDHTNTWJLDGEW-UHFFFAOYSA-N 1 2 200.241 2.208 10 0 BEAELO O[C@@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000613537814 363479152 /nfs/dbraw/zinc/47/91/52/363479152.db2.gz JIWFSKGSEFHCIU-CHWSQXEVSA-N 1 2 242.322 2.372 10 0 BEAELO Cc1ccc2[nH]c(N3CCC[C@@H](CO)C3)[nH+]c2c1 ZINC000096638722 538614583 /nfs/dbraw/zinc/61/45/83/538614583.db2.gz ZYZVSZMFPNNDCL-LLVKDONJSA-N 1 2 245.326 2.080 10 0 BEAELO Cc1ccc2[nH+]c(N3CCC[C@@H](CO)C3)[nH]c2c1 ZINC000096638722 538614590 /nfs/dbraw/zinc/61/45/90/538614590.db2.gz ZYZVSZMFPNNDCL-LLVKDONJSA-N 1 2 245.326 2.080 10 0 BEAELO CCOc1ccc2[nH]c(CC[C@@H](C)O)[nH+]c2c1 ZINC000026462135 357136051 /nfs/dbraw/zinc/13/60/51/357136051.db2.gz JRSGGVWMLVQNHE-SECBINFHSA-N 1 2 234.299 2.275 10 0 BEAELO CC(C)Cn1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000026474274 357144841 /nfs/dbraw/zinc/14/48/41/357144841.db2.gz GAILBOFLQAWDJY-LLVKDONJSA-N 1 2 247.342 2.485 10 0 BEAELO Cc1cccc(C[C@H](O)c2ccco2)[nH+]1 ZINC000584613779 358278055 /nfs/dbraw/zinc/27/80/55/358278055.db2.gz HSQWJWFOKGZJPV-NSHDSACASA-N 1 2 203.241 2.259 10 0 BEAELO C[Si](C)(C)c1cccc(-n2cc[nH+]c2)c1 ZINC000584608764 358269152 /nfs/dbraw/zinc/26/91/52/358269152.db2.gz BWRCOJGGTICQQR-UHFFFAOYSA-N 1 2 216.360 2.418 10 0 BEAELO Cc1[nH+]c(N)[nH]c1-c1cccc(C)c1F ZINC000584644319 358329255 /nfs/dbraw/zinc/32/92/55/358329255.db2.gz FDQLGFDGVNMAIF-UHFFFAOYSA-N 1 2 205.236 2.245 10 0 BEAELO CC(C)CC[N@@H+]1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000584638469 358324074 /nfs/dbraw/zinc/32/40/74/358324074.db2.gz ACUIXYNWTNRCGI-LSDHHAIUSA-N 1 2 249.354 2.424 10 0 BEAELO CC(C)CC[N@H+]1C[C@@H](CO)O[C@@H]1c1ccccc1 ZINC000584638469 358324078 /nfs/dbraw/zinc/32/40/78/358324078.db2.gz ACUIXYNWTNRCGI-LSDHHAIUSA-N 1 2 249.354 2.424 10 0 BEAELO Cc1noc(C)c1C[NH2+][C@H](C)c1nccnc1C ZINC000219111444 134274740 /nfs/dbraw/zinc/27/47/40/134274740.db2.gz RHOKUFMTWJHNEO-SNVBAGLBSA-N 1 2 246.314 2.241 10 0 BEAELO Cc1ccc2c3[nH][nH]c(=O)c3c[nH+]c2c1C ZINC000045928629 358567575 /nfs/dbraw/zinc/56/75/75/358567575.db2.gz CIPCHYZHGZAANP-UHFFFAOYSA-N 1 2 213.240 2.434 10 0 BEAELO CCCn1cc(C[N@@H+]2CCOC3(CCC3)C2)cn1 ZINC000130514110 358629890 /nfs/dbraw/zinc/62/98/90/358629890.db2.gz XADVGNRZVAJNOO-UHFFFAOYSA-N 1 2 249.358 2.048 10 0 BEAELO CCCn1cc(C[N@H+]2CCOC3(CCC3)C2)cn1 ZINC000130514110 358629895 /nfs/dbraw/zinc/62/98/95/358629895.db2.gz XADVGNRZVAJNOO-UHFFFAOYSA-N 1 2 249.358 2.048 10 0 BEAELO CC[C@@H](C)C[S@@](=O)Cc1[nH+]ccn1CC ZINC000133723054 358766823 /nfs/dbraw/zinc/76/68/23/358766823.db2.gz SFNLSPLKACNRMV-BMIGLBTASA-N 1 2 228.361 2.198 10 0 BEAELO CC[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000134973278 358813674 /nfs/dbraw/zinc/81/36/74/358813674.db2.gz OTOJEOINIMJWSJ-FRRDWIJNSA-N 1 2 233.311 2.084 10 0 BEAELO COC(=O)[C@@H](C)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000054146008 358855491 /nfs/dbraw/zinc/85/54/91/358855491.db2.gz RLGYTMALLMQITJ-GFCCVEGCSA-N 1 2 245.322 2.337 10 0 BEAELO COC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000054146008 358855496 /nfs/dbraw/zinc/85/54/96/358855496.db2.gz RLGYTMALLMQITJ-GFCCVEGCSA-N 1 2 245.322 2.337 10 0 BEAELO COC(=O)[C@H](C)[N@H+]1CC=C(c2ccccc2)CC1 ZINC000054146007 358855553 /nfs/dbraw/zinc/85/55/53/358855553.db2.gz RLGYTMALLMQITJ-LBPRGKRZSA-N 1 2 245.322 2.337 10 0 BEAELO COC(=O)[C@H](C)[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000054146007 358855556 /nfs/dbraw/zinc/85/55/56/358855556.db2.gz RLGYTMALLMQITJ-LBPRGKRZSA-N 1 2 245.322 2.337 10 0 BEAELO CCc1ccc([C@@H]([NH3+])c2ccsn2)o1 ZINC000306201524 359291219 /nfs/dbraw/zinc/29/12/19/359291219.db2.gz LABALGZDERZVTJ-JTQLQIEISA-N 1 2 208.286 2.347 10 0 BEAELO CC1(C)CC[N@@H+]1Cc1cc(Br)no1 ZINC000306426326 359880555 /nfs/dbraw/zinc/88/05/55/359880555.db2.gz VCJUAYKUCXXOOV-UHFFFAOYSA-N 1 2 245.120 2.421 10 0 BEAELO CC1(C)CC[N@H+]1Cc1cc(Br)no1 ZINC000306426326 359880558 /nfs/dbraw/zinc/88/05/58/359880558.db2.gz VCJUAYKUCXXOOV-UHFFFAOYSA-N 1 2 245.120 2.421 10 0 BEAELO BrC1=CCC2=C1[NH+]=C1NCCC=C21 ZINC000237960541 360088038 /nfs/dbraw/zinc/08/80/38/360088038.db2.gz BVZVRHGNBNYHJE-UHFFFAOYSA-N 1 2 237.100 2.255 10 0 BEAELO c1coc([C@@H]2CCC[N@H+]2Cc2c[nH]cn2)c1 ZINC000093335181 360232412 /nfs/dbraw/zinc/23/24/12/360232412.db2.gz QPZLJQLHOXFEJL-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@@H]2CCC[N@@H+]2Cc2c[nH]cn2)c1 ZINC000093335181 360232413 /nfs/dbraw/zinc/23/24/13/360232413.db2.gz QPZLJQLHOXFEJL-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@@H]2CCC[N@H+]2Cc2cnc[nH]2)c1 ZINC000093335181 360232414 /nfs/dbraw/zinc/23/24/14/360232414.db2.gz QPZLJQLHOXFEJL-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@@H]2CCC[N@@H+]2Cc2cnc[nH]2)c1 ZINC000093335181 360232415 /nfs/dbraw/zinc/23/24/15/360232415.db2.gz QPZLJQLHOXFEJL-NSHDSACASA-N 1 2 217.272 2.340 10 0 BEAELO Cc1cc([NH2+]CCCF)c(F)cc1N ZINC000306556423 360430185 /nfs/dbraw/zinc/43/01/85/360430185.db2.gz IHNBUOBVZFHMNA-UHFFFAOYSA-N 1 2 200.232 2.488 10 0 BEAELO Cc1c[nH+]c(N)c(C(=O)C2CCCC2)c1 ZINC000069942914 361174146 /nfs/dbraw/zinc/17/41/46/361174146.db2.gz DEFJUMVYWANZOK-UHFFFAOYSA-N 1 2 204.273 2.345 10 0 BEAELO Cc1cc[nH+]c(N)c1C(=O)c1ccsc1 ZINC000069942017 361174394 /nfs/dbraw/zinc/17/43/94/361174394.db2.gz MNKCNJJMSSGEKS-UHFFFAOYSA-N 1 2 218.281 2.265 10 0 BEAELO Cc1c(C[NH2+][C@@H]2CCCC2(F)F)cnn1C ZINC000309910392 491158056 /nfs/dbraw/zinc/15/80/56/491158056.db2.gz MJZSDWGBQKRYAW-SNVBAGLBSA-N 1 2 229.274 2.006 10 0 BEAELO C[C@@H]1CCC[C@H](CC[N@@H+]2CCC(=O)C2)C1 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SMTYFGXPQGALAR-IUCAKERBSA-N 1 2 234.303 2.426 10 0 BEAELO CSCCC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121679506 387391899 /nfs/dbraw/zinc/39/18/99/387391899.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000121679506 387391904 /nfs/dbraw/zinc/39/19/04/387391904.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121679506 387391907 /nfs/dbraw/zinc/39/19/07/387391907.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@H+]1CCCC[C@@H]1c1nc[nH]n1 ZINC000121679506 387391912 /nfs/dbraw/zinc/39/19/12/387391912.db2.gz NVAWYXSFYVVNTB-SNVBAGLBSA-N 1 2 240.376 2.085 10 0 BEAELO CN(C)c1cc[nH+]c(C(=O)OC(C)(C)C)c1 ZINC000390822128 387840370 /nfs/dbraw/zinc/84/03/70/387840370.db2.gz HMZPQQZUNPZVQT-UHFFFAOYSA-N 1 2 222.288 2.103 10 0 BEAELO C[C@@H](c1ccccc1F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621529 387860581 /nfs/dbraw/zinc/86/05/81/387860581.db2.gz 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2.335 10 0 BEAELO C[C@@H]1COCCN1c1ccc2cc(N)ccc2[nH+]1 ZINC000035774250 132339168 /nfs/dbraw/zinc/33/91/68/132339168.db2.gz LYJQNAAYYAEWTN-SNVBAGLBSA-N 1 2 243.310 2.042 10 0 BEAELO c1ccc(N2CC3(CCC3)[C@@H]3COC[C@H]32)[nH+]c1 ZINC000334727571 133741622 /nfs/dbraw/zinc/74/16/22/133741622.db2.gz LINITZYMFMQAPF-VXGBXAGGSA-N 1 2 230.311 2.087 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2nc(C)ccc2O)o1 ZINC000227555978 134383231 /nfs/dbraw/zinc/38/32/31/134383231.db2.gz JPBUELNEBGDMOO-SNVBAGLBSA-N 1 2 247.298 2.243 10 0 BEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@@H+]1C/C=C/Cl ZINC000248856322 135024091 /nfs/dbraw/zinc/02/40/91/135024091.db2.gz REYZKIKEAIZFSI-SHJRHDGBSA-N 1 2 243.734 2.012 10 0 BEAELO COC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1C/C=C/Cl ZINC000248856322 135024093 /nfs/dbraw/zinc/02/40/93/135024093.db2.gz REYZKIKEAIZFSI-SHJRHDGBSA-N 1 2 243.734 2.012 10 0 BEAELO C[NH2+]Cc1noc(C(C2CCC2)C2CCC2)n1 ZINC000261543328 135109133 /nfs/dbraw/zinc/10/91/33/135109133.db2.gz CWFQFLJCMVVHSE-UHFFFAOYSA-N 1 2 235.331 2.473 10 0 BEAELO CCn1cc[nH+]c1CS[C@@H](C)CC(=O)OC ZINC000078811822 135396068 /nfs/dbraw/zinc/39/60/68/135396068.db2.gz CLPRSWPXXKGJMH-VIFPVBQESA-N 1 2 242.344 2.088 10 0 BEAELO CCn1cc[nH+]c1-c1ccsc1C=O ZINC000616571371 397983001 /nfs/dbraw/zinc/98/30/01/397983001.db2.gz CVUKZIMVVNLMOK-UHFFFAOYSA-N 1 2 206.270 2.444 10 0 BEAELO CC(C)OCCN1CCc2cc([NH3+])ccc21 ZINC000049259824 167234524 /nfs/dbraw/zinc/23/45/24/167234524.db2.gz AKBSGMRYPKUWGD-UHFFFAOYSA-N 1 2 220.316 2.056 10 0 BEAELO Brc1cncc(Cn2cc[nH+]c2)c1 ZINC000132741571 166104749 /nfs/dbraw/zinc/10/47/49/166104749.db2.gz GVNHZVZUOBDVAJ-UHFFFAOYSA-N 1 2 238.088 2.089 10 0 BEAELO Brc1ccccc1[C@@H]1[NH2+]CCCO1 ZINC000071551260 166102980 /nfs/dbraw/zinc/10/29/80/166102980.db2.gz ZDSXZAHXFVSDEM-SNVBAGLBSA-N 1 2 242.116 2.458 10 0 BEAELO CC(C)NC(=O)[C@@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000035164420 167081434 /nfs/dbraw/zinc/08/14/34/167081434.db2.gz HBNHGXQHXXOHGP-LLVKDONJSA-N 1 2 249.358 2.078 10 0 BEAELO CC(C)[NH2+][C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037869413 167131009 /nfs/dbraw/zinc/13/10/09/167131009.db2.gz VSYZJLXMDLWBSH-SNVBAGLBSA-N 1 2 244.697 2.004 10 0 BEAELO CC(C)Nc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040708123 167151439 /nfs/dbraw/zinc/15/14/39/167151439.db2.gz DLVQOMDWGBOPII-UHFFFAOYSA-N 1 2 244.302 2.018 10 0 BEAELO CC(C)Oc1cc(-n2cc[nH+]c2)c(N)cc1F ZINC000104127769 167284957 /nfs/dbraw/zinc/28/49/57/167284957.db2.gz NSOIABUCDZYDPO-UHFFFAOYSA-N 1 2 235.262 2.381 10 0 BEAELO CC1(C)[C@H](Nc2cccc[nH+]2)[C@@H]2CCO[C@@H]21 ZINC000301382567 168014544 /nfs/dbraw/zinc/01/45/44/168014544.db2.gz ZISIKFNTFAFALA-WCQGTBRESA-N 1 2 218.300 2.307 10 0 BEAELO CC1(CCn2cc[nH+]c2)SCCS1 ZINC000039109577 168022892 /nfs/dbraw/zinc/02/28/92/168022892.db2.gz QBMIGWRHWBBBQF-UHFFFAOYSA-N 1 2 214.359 2.469 10 0 BEAELO Cc1cc(N[C@H]2CNc3ccccc3C2)nc[nH+]1 ZINC000404434088 411396419 /nfs/dbraw/zinc/39/64/19/411396419.db2.gz DCFTXQZVIPFXLY-GFCCVEGCSA-N 1 2 240.310 2.234 10 0 BEAELO Cc1nc(N[C@H]2CNc3ccccc3C2)cc[nH+]1 ZINC000404440267 411396558 /nfs/dbraw/zinc/39/65/58/411396558.db2.gz JOJZSDHWVWAKIA-GFCCVEGCSA-N 1 2 240.310 2.234 10 0 BEAELO c1nc([C@H]2C[N@H+](Cc3ccccc3)CCO2)co1 ZINC000616644233 411410626 /nfs/dbraw/zinc/41/06/26/411410626.db2.gz LXCPBEWQRSWTPJ-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO c1nc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)co1 ZINC000616644233 411410630 /nfs/dbraw/zinc/41/06/30/411410630.db2.gz LXCPBEWQRSWTPJ-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO Cc1c[nH]c(C[NH2+][C@H]2CCOc3ccccc32)n1 ZINC000657290428 411451486 /nfs/dbraw/zinc/45/14/86/411451486.db2.gz PTIFOBUWTBJAKH-LBPRGKRZSA-N 1 2 243.310 2.332 10 0 BEAELO CC[NH2+]Cc1noc(C[C@@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051860529 170131517 /nfs/dbraw/zinc/13/15/17/170131517.db2.gz PPNVGLPQNTXSCO-AXFHLTTASA-N 1 2 235.331 2.158 10 0 BEAELO CC[NH2+][C@H](c1nccn1C)c1occc1C ZINC000041048663 170149079 /nfs/dbraw/zinc/14/90/79/170149079.db2.gz OCKXLZKDROHUBJ-JTQLQIEISA-N 1 2 219.288 2.020 10 0 BEAELO CC[NH2+][C@@H](c1nnc(C)o1)c1ccccc1 ZINC000050618089 170165166 /nfs/dbraw/zinc/16/51/66/170165166.db2.gz LUTUGJVPRMOPRA-LLVKDONJSA-N 1 2 217.272 2.077 10 0 BEAELO CCNc1snnc1C[NH+]1CCCCCC1 ZINC000050792502 170179396 /nfs/dbraw/zinc/17/93/96/170179396.db2.gz NCYYYEJKBFPRNY-UHFFFAOYSA-N 1 2 240.376 2.346 10 0 BEAELO CCOC(=O)C(C)(C)[NH2+]CCc1ccc(C)cc1 ZINC000121498448 170187216 /nfs/dbraw/zinc/18/72/16/170187216.db2.gz QJHUZWXFZSZKLW-UHFFFAOYSA-N 1 2 249.354 2.469 10 0 BEAELO CCOC(=O)C[NH2+][C@H]1C[C@@H]1C1CCCCC1 ZINC000365798100 170227380 /nfs/dbraw/zinc/22/73/80/170227380.db2.gz ULCFVZCPSIDJBY-NEPJUHHUSA-N 1 2 225.332 2.108 10 0 BEAELO CCOC(=O)COc1cc[nH+]c2c(C)cccc12 ZINC000045928522 170229427 /nfs/dbraw/zinc/22/94/27/170229427.db2.gz HQYCQAAGASJYGT-UHFFFAOYSA-N 1 2 245.278 2.485 10 0 BEAELO COc1cc(C[NH2+][C@@H](C)c2ccc(C)o2)on1 ZINC000660257507 411560952 /nfs/dbraw/zinc/56/09/52/411560952.db2.gz SFEXFQVYUVLFIX-VIFPVBQESA-N 1 2 236.271 2.435 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1cc(Cl)ccc1F ZINC000076134341 170276760 /nfs/dbraw/zinc/27/67/60/170276760.db2.gz MMRDLDXTICOJDZ-SECBINFHSA-N 1 2 231.654 2.042 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1csc2ccccc21 ZINC000033786742 170276889 /nfs/dbraw/zinc/27/68/89/170276889.db2.gz LGMNCFQURFBTDH-LLVKDONJSA-N 1 2 235.308 2.464 10 0 BEAELO CCOC(=O)[C@]1([NH2+]C)CCCc2ccccc21 ZINC000037458781 170286209 /nfs/dbraw/zinc/28/62/09/170286209.db2.gz IOUFFBUHWRYZST-AWEZNQCLSA-N 1 2 233.311 2.001 10 0 BEAELO CCOC(=O)c1c[nH+]c2c(C)cccc2c1N ZINC000045928484 170302392 /nfs/dbraw/zinc/30/23/92/170302392.db2.gz RBTSPXHGEBEYEC-UHFFFAOYSA-N 1 2 230.267 2.302 10 0 BEAELO CC[C@@]([NH3+])(C(=O)OC)c1cccc(Cl)c1 ZINC000037459680 171192967 /nfs/dbraw/zinc/19/29/67/171192967.db2.gz INWDNQHMNAVYKQ-NSHDSACASA-N 1 2 227.691 2.077 10 0 BEAELO CCc1nc(C[NH2+]Cc2ccccn2)cs1 ZINC000054917999 171986362 /nfs/dbraw/zinc/98/63/62/171986362.db2.gz GHOACCUDDFANKF-UHFFFAOYSA-N 1 2 233.340 2.390 10 0 BEAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)o2)n1C ZINC000182573416 172052994 /nfs/dbraw/zinc/05/29/94/172052994.db2.gz DCYKBESOCLNWKF-JTQLQIEISA-N 1 2 248.330 2.130 10 0 BEAELO CCn1ccnc1[C@H]([NH2+]C)c1occc1C ZINC000041048691 172230894 /nfs/dbraw/zinc/23/08/94/172230894.db2.gz JOTSZONPGUBUNB-SNVBAGLBSA-N 1 2 219.288 2.113 10 0 BEAELO C[N@@H+]1CCc2csc(Br)c2C1 ZINC000082345075 173173488 /nfs/dbraw/zinc/17/34/88/173173488.db2.gz YDMRYERGEXQLJS-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[N@H+]1CCc2csc(Br)c2C1 ZINC000082345075 173173490 /nfs/dbraw/zinc/17/34/90/173173490.db2.gz YDMRYERGEXQLJS-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[NH2+][C@H](c1ccc(F)c(C)c1)c1ncccn1 ZINC000055224797 173456693 /nfs/dbraw/zinc/45/66/93/173456693.db2.gz OIFVZAPNDZHFSN-GFCCVEGCSA-N 1 2 231.274 2.233 10 0 BEAELO COCCCn1cc[nH+]c1-c1ccc(N)cc1 ZINC000037974143 174266437 /nfs/dbraw/zinc/26/64/37/174266437.db2.gz LETWOUIEWUKOJE-UHFFFAOYSA-N 1 2 231.299 2.169 10 0 BEAELO COCCOCCNc1ccc2ccccc2[nH+]1 ZINC000044417374 174359504 /nfs/dbraw/zinc/35/95/04/174359504.db2.gz KQLVSZKWPRHALN-UHFFFAOYSA-N 1 2 246.310 2.310 10 0 BEAELO COc1c[nH+]cc2cc(OC)c(OC)cc21 ZINC000039119755 175027339 /nfs/dbraw/zinc/02/73/39/175027339.db2.gz GZYGFGXEJLWASG-UHFFFAOYSA-N 1 2 219.240 2.261 10 0 BEAELO COc1ccc(-c2nc(N)cc[nH+]2)cc1C ZINC000050867351 175040917 /nfs/dbraw/zinc/04/09/17/175040917.db2.gz KMXROHCQWTXDGQ-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO COc1ccc([NH2+]CCCCCO)cc1 ZINC000049814572 175150384 /nfs/dbraw/zinc/15/03/84/175150384.db2.gz CWIPMNLADQORRR-UHFFFAOYSA-N 1 2 209.289 2.270 10 0 BEAELO COc1ccc2[nH+]cc(Cl)c(N)c2c1 ZINC000041702203 175230303 /nfs/dbraw/zinc/23/03/03/175230303.db2.gz NOFPZXGKTSMGJF-UHFFFAOYSA-N 1 2 208.648 2.479 10 0 BEAELO C[C@@H](O)c1c[nH+]c2ccc(Br)cn21 ZINC000031935514 176000324 /nfs/dbraw/zinc/00/03/24/176000324.db2.gz KFHUQEUDHCMOLJ-ZCFIWIBFSA-N 1 2 241.088 2.150 10 0 BEAELO C[C@@H]1CCC[C@](CO)(Nc2cccc[nH+]2)C1 ZINC000053110363 176152228 /nfs/dbraw/zinc/15/22/28/176152228.db2.gz QAGDZCOQYLGDTG-YPMHNXCESA-N 1 2 220.316 2.435 10 0 BEAELO C[C@@H]1C[N@H+](CCOC2CCCCC2)CCC1=O ZINC000104433907 176293296 /nfs/dbraw/zinc/29/32/96/176293296.db2.gz XXVFXTDHDPMBLG-GFCCVEGCSA-N 1 2 239.359 2.247 10 0 BEAELO C[C@@H]1C[N@@H+](CCOC2CCCCC2)CCC1=O ZINC000104433907 176293297 /nfs/dbraw/zinc/29/32/97/176293297.db2.gz XXVFXTDHDPMBLG-GFCCVEGCSA-N 1 2 239.359 2.247 10 0 BEAELO C[C@@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccco1 ZINC000251663850 176322396 /nfs/dbraw/zinc/32/23/96/176322396.db2.gz HAINTICPDIWHCU-OLZOCXBDSA-N 1 2 234.343 2.338 10 0 BEAELO C[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccco1 ZINC000251663850 176322398 /nfs/dbraw/zinc/32/23/98/176322398.db2.gz HAINTICPDIWHCU-OLZOCXBDSA-N 1 2 234.343 2.338 10 0 BEAELO C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000035773472 176337679 /nfs/dbraw/zinc/33/76/79/176337679.db2.gz MNXXIRKDCVILTH-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)c(N)c1 ZINC000035773472 176337681 /nfs/dbraw/zinc/33/76/81/176337681.db2.gz MNXXIRKDCVILTH-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1COC[C@@H](C)[NH+]1CCC(=O)c1ccccc1 ZINC000182341400 176346204 /nfs/dbraw/zinc/34/62/04/176346204.db2.gz BXJSYKGJNPNVJM-CHWSQXEVSA-N 1 2 247.338 2.369 10 0 BEAELO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221269 176361701 /nfs/dbraw/zinc/36/17/01/176361701.db2.gz VVOOBECOVUXKAR-UTUOFQBUSA-N 1 2 222.332 2.257 10 0 BEAELO C[C@H](O)c1ccccc1OCCn1cc[nH+]c1 ZINC000035626937 177018139 /nfs/dbraw/zinc/01/81/39/177018139.db2.gz PYVBCUOOWBICLZ-NSHDSACASA-N 1 2 232.283 2.015 10 0 BEAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274124 177314107 /nfs/dbraw/zinc/31/41/07/177314107.db2.gz ZUZBGWZLYDNQII-SCRDCRAPSA-N 1 2 233.359 2.059 10 0 BEAELO CC(C)c1nc(N(C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000110491428 322942618 /nfs/dbraw/zinc/94/26/18/322942618.db2.gz HWDBLCIDRHZVQP-NSHDSACASA-N 1 2 235.331 2.215 10 0 BEAELO CCC(CC)C(=O)NCc1ccc[nH+]c1N(C)C ZINC000048777778 323154953 /nfs/dbraw/zinc/15/49/53/323154953.db2.gz YPGRFRKDOFTEMJ-UHFFFAOYSA-N 1 2 249.358 2.200 10 0 BEAELO Cc1[nH+]c(N)ccc1-c1cnc(C2CC2)o1 ZINC000530250154 324559630 /nfs/dbraw/zinc/55/96/30/324559630.db2.gz HEFPNSHCKKWSKS-UHFFFAOYSA-N 1 2 215.256 2.335 10 0 BEAELO Cc1cc(N)nc(N2CCCc3ccccc32)[nH+]1 ZINC000074934129 490309653 /nfs/dbraw/zinc/30/96/53/490309653.db2.gz LLAOFBODRDSYED-UHFFFAOYSA-N 1 2 240.310 2.452 10 0 BEAELO CC[N@H+](C[C@H](C)CO)c1ccccc1C ZINC000121322043 491102578 /nfs/dbraw/zinc/10/25/78/491102578.db2.gz JPDUIERGRXAWJR-NSHDSACASA-N 1 2 207.317 2.450 10 0 BEAELO CC[N@@H+](C[C@H](C)CO)c1ccccc1C ZINC000121322043 491102580 /nfs/dbraw/zinc/10/25/80/491102580.db2.gz JPDUIERGRXAWJR-NSHDSACASA-N 1 2 207.317 2.450 10 0 BEAELO C[C@@H]1CCC[C@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150311 582534520 /nfs/dbraw/zinc/53/45/20/582534520.db2.gz PKYKJBHZHGJQHR-SCZZXKLOSA-N 1 2 205.248 2.148 10 0 BEAELO CC1(C)CC[C@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757154377 582538966 /nfs/dbraw/zinc/53/89/66/582538966.db2.gz ZZYADTKELUFIGH-JTQLQIEISA-N 1 2 205.248 2.148 10 0 BEAELO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000248550165 535514242 /nfs/dbraw/zinc/51/42/42/535514242.db2.gz KGMBXMIFARLQQX-MNOVXSKESA-N 1 2 222.336 2.378 10 0 BEAELO CC[C@@H](C)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000248550165 535514245 /nfs/dbraw/zinc/51/42/45/535514245.db2.gz KGMBXMIFARLQQX-MNOVXSKESA-N 1 2 222.336 2.378 10 0 BEAELO CCO[C@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110280440 535621405 /nfs/dbraw/zinc/62/14/05/535621405.db2.gz IYDKFEIDSLZSKL-LBPRGKRZSA-N 1 2 247.342 2.359 10 0 BEAELO O=C1Nc2ccc[nH+]c2N[C@@H]2CCCC[C@H]12 ZINC000082369069 518202579 /nfs/dbraw/zinc/20/25/79/518202579.db2.gz ZZJJKUSNQNHGMH-DTWKUNHWSA-N 1 2 217.272 2.004 10 0 BEAELO C[NH2+][C@@](C)(Cc1cccc(Cl)c1)C(=O)OC ZINC000095533077 522422715 /nfs/dbraw/zinc/42/27/15/522422715.db2.gz MOTFWDKLPBJXAC-LBPRGKRZSA-N 1 2 241.718 2.034 10 0 BEAELO C[NH2+][C@](C)(Cc1cccc(Cl)c1)C(=O)OC ZINC000095533076 522525228 /nfs/dbraw/zinc/52/52/28/522525228.db2.gz MOTFWDKLPBJXAC-GFCCVEGCSA-N 1 2 241.718 2.034 10 0 BEAELO C[C@@H](CCCO)[NH2+]c1ccc2c(c1)CCN2C ZINC000757124073 582499505 /nfs/dbraw/zinc/49/95/05/582499505.db2.gz BNWFDLVSJMAOEQ-NSHDSACASA-N 1 2 234.343 2.252 10 0 BEAELO C[N@@H+]1CCc2cc(NCC(F)F)ccc21 ZINC000757128332 582503077 /nfs/dbraw/zinc/50/30/77/582503077.db2.gz KPDNZCWWVROBIF-UHFFFAOYSA-N 1 2 212.243 2.356 10 0 BEAELO C[N@H+]1CCc2cc(NCC(F)F)ccc21 ZINC000757128332 582503078 /nfs/dbraw/zinc/50/30/78/582503078.db2.gz KPDNZCWWVROBIF-UHFFFAOYSA-N 1 2 212.243 2.356 10 0 BEAELO C[N@@H+]1CCc2cc(NCc3cc[nH]n3)ccc21 ZINC000757127946 582503346 /nfs/dbraw/zinc/50/33/46/582503346.db2.gz IGKOUVHLWSOGBM-UHFFFAOYSA-N 1 2 228.299 2.014 10 0 BEAELO C[N@H+]1CCc2cc(NCc3cc[nH]n3)ccc21 ZINC000757127946 582503347 /nfs/dbraw/zinc/50/33/47/582503347.db2.gz IGKOUVHLWSOGBM-UHFFFAOYSA-N 1 2 228.299 2.014 10 0 BEAELO C[C@@H]1C[C@H]1[NH2+]c1ccc2c(c1)CCN2C ZINC000757133865 582510382 /nfs/dbraw/zinc/51/03/82/582510382.db2.gz VKNCKGVCIVOJOD-BXKDBHETSA-N 1 2 202.301 2.499 10 0 BEAELO Fc1cccc2c1CC[C@H]2[NH2+]Cc1c[nH]cn1 ZINC000112344068 582819900 /nfs/dbraw/zinc/81/99/00/582819900.db2.gz KLMCPNBXXPXODL-CYBMUJFWSA-N 1 2 231.274 2.326 10 0 BEAELO C[C@@H](O)[C@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000223728882 582874028 /nfs/dbraw/zinc/87/40/28/582874028.db2.gz KBMKBUVDDDUWIF-VHSXEESVSA-N 1 2 216.284 2.416 10 0 BEAELO CC(C)CCc1nc2[nH]ccc2c(N)[nH+]1 ZINC000757564831 586461182 /nfs/dbraw/zinc/46/11/82/586461182.db2.gz GDJCGFCQGCISIS-UHFFFAOYSA-N 1 2 204.277 2.080 10 0 BEAELO CC(C)Cc1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757564703 586461360 /nfs/dbraw/zinc/46/13/60/586461360.db2.gz FKQPUUGJMAUWBS-UHFFFAOYSA-N 1 2 218.304 2.222 10 0 BEAELO c1cc(C[NH2+]Cc2cn3ccsc3n2)co1 ZINC000122223839 589566536 /nfs/dbraw/zinc/56/65/36/589566536.db2.gz OCVAJFUJRZGLSX-UHFFFAOYSA-N 1 2 233.296 2.279 10 0 BEAELO C[C@H](O)c1ccc(N(C)C2CCC2)[nH+]c1 ZINC000127605710 590723396 /nfs/dbraw/zinc/72/33/96/590723396.db2.gz WEXJVQVMZHXIIB-VIFPVBQESA-N 1 2 206.289 2.124 10 0 BEAELO Cc1nnc(C[NH2+]Cc2ccsc2)s1 ZINC000134665074 591946266 /nfs/dbraw/zinc/94/62/66/591946266.db2.gz KUYWEQKHCMSHQW-UHFFFAOYSA-N 1 2 225.342 2.198 10 0 BEAELO Cc1nnc(C[NH2+]Cc2ccccc2F)s1 ZINC000134663681 591946273 /nfs/dbraw/zinc/94/62/73/591946273.db2.gz HSFYUENMUFGIQW-UHFFFAOYSA-N 1 2 237.303 2.275 10 0 BEAELO c1csc(NCc2cn3c([nH+]2)CCCC3)n1 ZINC000309717095 633230638 /nfs/dbraw/zinc/23/06/38/633230638.db2.gz ZEBRJIJIFRWJNC-UHFFFAOYSA-N 1 2 234.328 2.288 10 0 BEAELO CCn1ccnc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070528342 643034992 /nfs/dbraw/zinc/03/49/92/643034992.db2.gz BXLIOJDWEATTCV-GFCCVEGCSA-N 1 2 243.310 2.126 10 0 BEAELO Cc1[nH+]cn(-c2nc(Cl)c(C=O)s2)c1C ZINC000087768019 644500431 /nfs/dbraw/zinc/50/04/31/644500431.db2.gz LKCLQCBOERMAQT-UHFFFAOYSA-N 1 2 241.703 2.412 10 0 BEAELO Cc1[nH+]ccn1-c1nc(Cl)c(C=O)s1 ZINC000087768001 644501120 /nfs/dbraw/zinc/50/11/20/644501120.db2.gz ZOFYCJLWTVWNAK-UHFFFAOYSA-N 1 2 227.676 2.103 10 0 BEAELO c1cc(N2CCOCC2)ccc1[NH2+]CC1CC1 ZINC000036882462 712510332 /nfs/dbraw/zinc/51/03/32/712510332.db2.gz JWAAHHFZYNCDII-UHFFFAOYSA-N 1 2 232.327 2.345 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cn(C)nn2)o1 ZINC000715863594 712537151 /nfs/dbraw/zinc/53/71/51/712537151.db2.gz YFVLGIFKRFPGBN-NXEZZACHSA-N 1 2 234.303 2.128 10 0 BEAELO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885421 712539598 /nfs/dbraw/zinc/53/95/98/712539598.db2.gz SDWKILIAIBIXAN-NXEZZACHSA-N 1 2 248.330 2.437 10 0 BEAELO Cc1ccc(C[NH2+][C@@H](C)c2cn(C)nn2)c(F)c1 ZINC000720594941 712856659 /nfs/dbraw/zinc/85/66/59/712856659.db2.gz JBQUFOAJDJKXGK-JTQLQIEISA-N 1 2 248.305 2.113 10 0 BEAELO Nc1cn(CCSc2ccccc2)c[nH+]1 ZINC000685964267 538911239 /nfs/dbraw/zinc/91/12/39/538911239.db2.gz AIMQKZYWWJIOEW-UHFFFAOYSA-N 1 2 219.313 2.258 10 0 BEAELO CN1c2ccccc2NC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616587998 349465629 /nfs/dbraw/zinc/46/56/29/349465629.db2.gz VWSVHXRYRBPFFY-CYBMUJFWSA-N 1 2 240.310 2.097 10 0 BEAELO CCC[C@@H]1C[C@@H]1Nc1nc[nH+]c(N)c1Cl ZINC000277958957 398179772 /nfs/dbraw/zinc/17/97/72/398179772.db2.gz YEIQNCNOAISTEW-RQJHMYQMSA-N 1 2 226.711 2.313 10 0 BEAELO CCC[C@@H]1C[C@@H]1Nc1[nH+]cnc(N)c1Cl ZINC000277958957 398179774 /nfs/dbraw/zinc/17/97/74/398179774.db2.gz YEIQNCNOAISTEW-RQJHMYQMSA-N 1 2 226.711 2.313 10 0 BEAELO Cc1cc([NH+](C)C)ccc1NCc1cncnc1 ZINC000054767335 178095525 /nfs/dbraw/zinc/09/55/25/178095525.db2.gz HYWZKKSVJCKNPD-UHFFFAOYSA-N 1 2 242.326 2.463 10 0 BEAELO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)nc[nH+]1 ZINC000301334560 178099999 /nfs/dbraw/zinc/09/99/99/178099999.db2.gz FVTKYTKFAJRFLG-CYZMBNFOSA-N 1 2 247.342 2.035 10 0 BEAELO Cc1cc([NH3+])ccc1N(C)C[C@H]1CCCO1 ZINC000058681466 178106135 /nfs/dbraw/zinc/10/61/35/178106135.db2.gz PKPNCRYEJKLLMR-GFCCVEGCSA-N 1 2 220.316 2.192 10 0 BEAELO Cc1cc(NCC2(CO)CC2)nc(C(C)C)[nH+]1 ZINC000118907758 178156615 /nfs/dbraw/zinc/15/66/15/178156615.db2.gz LXWPPBJLTXTKSD-UHFFFAOYSA-N 1 2 235.331 2.093 10 0 BEAELO CCn1cc[nH+]c1/C=C/Br ZINC000606276039 538930301 /nfs/dbraw/zinc/93/03/01/538930301.db2.gz SKMFYPSLXZMRIJ-ONEGZZNKSA-N 1 2 201.067 2.269 10 0 BEAELO Cc1cc(N[C@H](C)Cn2cc[nH+]c2)ccc1N ZINC000049234763 178185935 /nfs/dbraw/zinc/18/59/35/178185935.db2.gz FGHQUZZPCNJGCE-LLVKDONJSA-N 1 2 230.315 2.274 10 0 BEAELO Cc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCO2 ZINC000144887693 342754102 /nfs/dbraw/zinc/75/41/02/342754102.db2.gz XWSBQZPEDIVINQ-UHFFFAOYSA-N 1 2 229.283 2.117 10 0 BEAELO Cc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCO2 ZINC000144887693 342754104 /nfs/dbraw/zinc/75/41/04/342754104.db2.gz XWSBQZPEDIVINQ-UHFFFAOYSA-N 1 2 229.283 2.117 10 0 BEAELO Cc1cc[nH+]cc1N[C@H](C)[C@H]1CCCO1 ZINC000389730151 539017705 /nfs/dbraw/zinc/01/77/05/539017705.db2.gz SDLBURFQTXHFDD-ZYHUDNBSSA-N 1 2 206.289 2.369 10 0 BEAELO C[C@@H](O)CNc1ccc2ccccc2[nH+]1 ZINC000035100495 342882389 /nfs/dbraw/zinc/88/23/89/342882389.db2.gz LKNACODNIRCAMY-SECBINFHSA-N 1 2 202.257 2.028 10 0 BEAELO Nc1[nH]c(NCc2ccccc2)cc(=S)[nH+]1 ZINC000017313852 342923561 /nfs/dbraw/zinc/92/35/61/342923561.db2.gz NHKVGQJKAIDMRO-UHFFFAOYSA-N 1 2 232.312 2.333 10 0 BEAELO Nc1c[nH+]c2c(Cl)c(F)ccc2c1N ZINC000584882409 343084717 /nfs/dbraw/zinc/08/47/17/343084717.db2.gz GIVDBIUWOVSURA-UHFFFAOYSA-N 1 2 211.627 2.192 10 0 BEAELO C[C@H](O)c1ccc(N2CCC[C@@H](C)C2)[nH+]c1 ZINC000124895611 343075517 /nfs/dbraw/zinc/07/55/17/343075517.db2.gz NZFOSSZYXMEGLL-MNOVXSKESA-N 1 2 220.316 2.371 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC[C@@H](C)C2)[nH+]c1 ZINC000124895062 343075606 /nfs/dbraw/zinc/07/56/06/343075606.db2.gz NZFOSSZYXMEGLL-GHMZBOCLSA-N 1 2 220.316 2.371 10 0 BEAELO Nc1ccc(-n2cc[nH+]c2)c(Br)c1 ZINC000043597497 343242341 /nfs/dbraw/zinc/24/23/41/343242341.db2.gz VIEPRZOOYCERIT-UHFFFAOYSA-N 1 2 238.088 2.217 10 0 BEAELO Cn1ccnc1CNc1ccc([NH+](C)C)cc1 ZINC000035164896 343287649 /nfs/dbraw/zinc/28/76/49/343287649.db2.gz HWWDGHOZSODOGE-UHFFFAOYSA-N 1 2 230.315 2.098 10 0 BEAELO CCOc1ccc([C@H](C)c2c[nH]c[nH+]2)nc1 ZINC000034050020 343263896 /nfs/dbraw/zinc/26/38/96/343263896.db2.gz QEKPWAOPMKAEJC-VIFPVBQESA-N 1 2 217.272 2.355 10 0 BEAELO CCc1ccc2[nH]c(CCCO)[nH+]c2c1 ZINC000026462048 187255360 /nfs/dbraw/zinc/25/53/60/187255360.db2.gz SPDULORFCFLGDT-UHFFFAOYSA-N 1 2 204.273 2.050 10 0 BEAELO CCc1ccc2[nH+]c(CCCO)[nH]c2c1 ZINC000026462048 187255361 /nfs/dbraw/zinc/25/53/61/187255361.db2.gz SPDULORFCFLGDT-UHFFFAOYSA-N 1 2 204.273 2.050 10 0 BEAELO O=C(CCn1cc[nH+]c1)c1ccccc1 ZINC000039650075 343391784 /nfs/dbraw/zinc/39/17/84/343391784.db2.gz JHFZXQDRGYYUGG-UHFFFAOYSA-N 1 2 200.241 2.156 10 0 BEAELO c1coc(C[NH2+]Cc2nc3ccccc3[nH]2)c1 ZINC000043258456 343466824 /nfs/dbraw/zinc/46/68/24/343466824.db2.gz WPESWRAVHURKRI-UHFFFAOYSA-N 1 2 227.267 2.446 10 0 BEAELO Cc1ccc(C[N@@H+](C)CC(=O)c2cccn2C)o1 ZINC000048934541 187269260 /nfs/dbraw/zinc/26/92/60/187269260.db2.gz RVBSXGMSKZZSFY-UHFFFAOYSA-N 1 2 246.310 2.241 10 0 BEAELO Cc1ccc(C[N@H+](C)CC(=O)c2cccn2C)o1 ZINC000048934541 187269261 /nfs/dbraw/zinc/26/92/61/187269261.db2.gz RVBSXGMSKZZSFY-UHFFFAOYSA-N 1 2 246.310 2.241 10 0 BEAELO CNc1[nH+]cccc1Cn1c(C)c(C)sc1=O ZINC000071351864 187275359 /nfs/dbraw/zinc/27/53/59/187275359.db2.gz RKFPZOBIEFQDAN-UHFFFAOYSA-N 1 2 249.339 2.012 10 0 BEAELO COC(=[NH2+])CCc1c(C)[nH]nc1CC(C)C ZINC000409441092 343855176 /nfs/dbraw/zinc/85/51/76/343855176.db2.gz QGKMGMLKACCUCM-UHFFFAOYSA-N 1 2 223.320 2.473 10 0 BEAELO COC(=[NH2+])CCc1c(C)n[nH]c1CC(C)C ZINC000409441092 343855177 /nfs/dbraw/zinc/85/51/77/343855177.db2.gz QGKMGMLKACCUCM-UHFFFAOYSA-N 1 2 223.320 2.473 10 0 BEAELO CNc1cc(N2[C@H](C)CCC[C@H]2C)nc[nH+]1 ZINC000409438402 343843766 /nfs/dbraw/zinc/84/37/66/343843766.db2.gz MPMDXUDCKUMFEH-NXEZZACHSA-N 1 2 220.320 2.286 10 0 BEAELO CNc1cc(N2[C@H](C)CCC[C@H]2C)[nH+]cn1 ZINC000409438402 343843770 /nfs/dbraw/zinc/84/37/70/343843770.db2.gz MPMDXUDCKUMFEH-NXEZZACHSA-N 1 2 220.320 2.286 10 0 BEAELO COC(=[NH2+])CCc1c[nH]nc1-c1cccnc1 ZINC000409439494 343847456 /nfs/dbraw/zinc/84/74/56/343847456.db2.gz IOWRWFUEVZQWHL-UHFFFAOYSA-N 1 2 230.271 2.028 10 0 BEAELO CCn1cc([C@H]2[NH2+]CC[C@H](C)S2)cn1 ZINC000234257634 343921164 /nfs/dbraw/zinc/92/11/64/343921164.db2.gz YVPFWGIUFOELHT-WPRPVWTQSA-N 1 2 211.334 2.017 10 0 BEAELO CC(C)c1nsc(N[C@@H](C)CCCC[NH3+])n1 ZINC000381297585 344493400 /nfs/dbraw/zinc/49/34/00/344493400.db2.gz AAVITAQBCMZNKM-VIFPVBQESA-N 1 2 242.392 2.013 10 0 BEAELO Cc1ccc(NC(=O)[C@H]2CC[C@H](C)O2)c(C)[nH+]1 ZINC000177694287 344580830 /nfs/dbraw/zinc/58/08/30/344580830.db2.gz WNJGZXPFPNUXMZ-JOYOIKCWSA-N 1 2 234.299 2.204 10 0 BEAELO Cc1cnc([C@H](C)Nc2cc[nH+]cc2F)o1 ZINC000641508260 362469097 /nfs/dbraw/zinc/46/90/97/362469097.db2.gz OSKLJHGFWQOBCK-QMMMGPOBSA-N 1 2 221.235 2.112 10 0 BEAELO Nc1[nH]c2c([nH+]1)Cc1cc(Cl)ccc1-2 ZINC000128051657 344725502 /nfs/dbraw/zinc/72/55/02/344725502.db2.gz KUGGOTVAFBWZDH-UHFFFAOYSA-N 1 2 205.648 2.217 10 0 BEAELO Cc1[nH]n(C)c(=O)c1-c1ccc([C@H](C)[NH3+])c(F)c1 ZINC000675052795 537860444 /nfs/dbraw/zinc/86/04/44/537860444.db2.gz ASKKOJZYJKXBBT-ZETCQYMHSA-N 1 2 249.289 2.260 10 0 BEAELO O=C1CC[NH2+]Cc2c(Br)cccc21 ZINC000166600091 344936669 /nfs/dbraw/zinc/93/66/69/344936669.db2.gz RPWJHYVXKRMJKK-UHFFFAOYSA-N 1 2 240.100 2.125 10 0 BEAELO Cc1[nH+]cn(-c2ccc(N)cc2C)c1C ZINC000051925495 187299321 /nfs/dbraw/zinc/29/93/21/187299321.db2.gz SFZZNJFTZUOVOW-UHFFFAOYSA-N 1 2 201.273 2.380 10 0 BEAELO Nc1[nH]c2c(ccc(F)c2Br)[nH+]1 ZINC000238610090 345092178 /nfs/dbraw/zinc/09/21/78/345092178.db2.gz NMOQBCYKVMUALO-UHFFFAOYSA-N 1 2 230.040 2.047 10 0 BEAELO Cc1nc2[nH]ccc2c(N[C@H]2C[C@@H]2C)[nH+]1 ZINC000080979038 345457658 /nfs/dbraw/zinc/45/76/58/345457658.db2.gz PCRXIIOXNSIBPN-RCOVLWMOSA-N 1 2 202.261 2.087 10 0 BEAELO c1[nH]cc(C[C@@H]2CCc3ncccc3C2)[nH+]1 ZINC000034278985 345820989 /nfs/dbraw/zinc/82/09/89/345820989.db2.gz ISYIUYRWUINXCB-SNVBAGLBSA-N 1 2 213.284 2.152 10 0 BEAELO CCCc1[nH]c2c(cc(CO)cc2C)[nH+]1 ZINC000141219759 345860077 /nfs/dbraw/zinc/86/00/77/345860077.db2.gz ARYZAINERCLZNL-UHFFFAOYSA-N 1 2 204.273 2.316 10 0 BEAELO CCCc1[nH]c2cc(CO)cc(C)c2[nH+]1 ZINC000141219759 345860079 /nfs/dbraw/zinc/86/00/79/345860079.db2.gz ARYZAINERCLZNL-UHFFFAOYSA-N 1 2 204.273 2.316 10 0 BEAELO Nc1ccc2[nH]c(CC(F)(F)F)[nH+]c2c1 ZINC000019440672 187313977 /nfs/dbraw/zinc/31/39/77/187313977.db2.gz YRGLXGZVAOGLQY-UHFFFAOYSA-N 1 2 215.178 2.250 10 0 BEAELO Fc1c(Br)cccc1C1(F)C[NH2+]C1 ZINC000236123947 346193889 /nfs/dbraw/zinc/19/38/89/346193889.db2.gz PWHYUDYXWHJNEY-UHFFFAOYSA-N 1 2 248.070 2.356 10 0 BEAELO Cc1cccc(C(=O)Cn2cc[nH+]c2)c1 ZINC000034224016 346230850 /nfs/dbraw/zinc/23/08/50/346230850.db2.gz ADHATLWNWBLMQG-UHFFFAOYSA-N 1 2 200.241 2.074 10 0 BEAELO CCn1cc[nH+]c1C[S@](=O)C1CCCC1 ZINC000177291467 346595827 /nfs/dbraw/zinc/59/58/27/346595827.db2.gz FOCOOPAZHKKDDO-HNNXBMFYSA-N 1 2 226.345 2.094 10 0 BEAELO Cc1cccc(Nc2[nH+]cnc(N(C)C)c2N)c1 ZINC000040723501 179159927 /nfs/dbraw/zinc/15/99/27/179159927.db2.gz AQLYJXYBAXGWMG-UHFFFAOYSA-N 1 2 243.314 2.177 10 0 BEAELO COC(=O)[C@@H]1CC[C@H](c2ccccc2Cl)[NH2+]1 ZINC000117841130 347203637 /nfs/dbraw/zinc/20/36/37/347203637.db2.gz FJGSPUSDFJFLDO-MNOVXSKESA-N 1 2 239.702 2.306 10 0 BEAELO c1cc(C[NH2+][C@@H]2CCOc3ccccc32)no1 ZINC000148734206 537992900 /nfs/dbraw/zinc/99/29/00/537992900.db2.gz KGOXLTJJYQKGRU-GFCCVEGCSA-N 1 2 230.267 2.288 10 0 BEAELO C[NH+](C)CC(=O)c1sccc1Br ZINC000037333606 348340133 /nfs/dbraw/zinc/34/01/33/348340133.db2.gz FYTGOEZJMYNHKJ-UHFFFAOYSA-N 1 2 248.145 2.255 10 0 BEAELO CCc1cc(CC)c(C(=O)OC)c(C)[nH+]1 ZINC000669383171 538007627 /nfs/dbraw/zinc/00/76/27/538007627.db2.gz GMYGGTIHWJKDTL-UHFFFAOYSA-N 1 2 207.273 2.301 10 0 BEAELO Cc1cnc(C[NH2+]Cc2ccc(Cl)o2)cn1 ZINC000061320444 179606307 /nfs/dbraw/zinc/60/63/07/179606307.db2.gz ALGDEKIXIBSSBU-UHFFFAOYSA-N 1 2 237.690 2.321 10 0 BEAELO COC(=O)[C@@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000037459694 348614714 /nfs/dbraw/zinc/61/47/14/348614714.db2.gz BXNRCAYIJKGYHS-JTQLQIEISA-N 1 2 248.109 2.340 10 0 BEAELO Cc1nc([C@@H]([NH3+])c2cccc(Cl)c2)no1 ZINC000036762203 180039516 /nfs/dbraw/zinc/03/95/16/180039516.db2.gz UZQFOERGQUQMPV-VIFPVBQESA-N 1 2 223.663 2.080 10 0 BEAELO Cc1nc([C@@]2([NH3+])CCN(C(C)C)C2)sc1C ZINC000045659868 180047198 /nfs/dbraw/zinc/04/71/98/180047198.db2.gz NNCALWCDHILDLN-GFCCVEGCSA-N 1 2 239.388 2.028 10 0 BEAELO Cc1nc([C@H]([NH3+])c2ccccc2Cl)no1 ZINC000036762505 180054336 /nfs/dbraw/zinc/05/43/36/180054336.db2.gz IASYEQKQJYJFCR-SECBINFHSA-N 1 2 223.663 2.080 10 0 BEAELO Cc1[nH+]c([C@H]2CCOC2)c2c(Cl)nccn12 ZINC000033359182 180058013 /nfs/dbraw/zinc/05/80/13/180058013.db2.gz JQTDOTZXEILMJS-QMMMGPOBSA-N 1 2 237.690 2.195 10 0 BEAELO Cc1nc2cc(NCc3[nH+]ccn3C)ccc2o1 ZINC000049900111 180083909 /nfs/dbraw/zinc/08/39/09/180083909.db2.gz HAXLGOPEQMWEEL-UHFFFAOYSA-N 1 2 242.282 2.482 10 0 BEAELO Cc1[nH+]c2cccc(Cl)n2c1[C@@H](C)O ZINC000074375198 180099615 /nfs/dbraw/zinc/09/96/15/180099615.db2.gz LBHVXOGZKZRPRI-SSDOTTSWSA-N 1 2 210.664 2.349 10 0 BEAELO O=C1CC[NH2+][C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000725256760 538059023 /nfs/dbraw/zinc/05/90/23/538059023.db2.gz PBZBZEDJXQJNOV-SNVBAGLBSA-N 1 2 229.201 2.309 10 0 BEAELO Cc1[nH+]c2ccccc2n1C[C@@H](C)C(N)=S ZINC000036678320 180104435 /nfs/dbraw/zinc/10/44/35/180104435.db2.gz BBMGEWUZMMNIDL-MRVPVSSYSA-N 1 2 233.340 2.267 10 0 BEAELO Cc1[nH+]c2ccccc2n1[C@@H](C)C(=O)NC1CC1 ZINC000095082494 180104543 /nfs/dbraw/zinc/10/45/43/180104543.db2.gz FILYTLWECGJBMY-VIFPVBQESA-N 1 2 243.310 2.184 10 0 BEAELO Cc1[nH+]c[nH]c1CNC(=O)C[C@@H](C)C(C)(C)C ZINC000331083106 180118847 /nfs/dbraw/zinc/11/88/47/180118847.db2.gz MUXHQIJFPUJXPM-SECBINFHSA-N 1 2 237.347 2.407 10 0 BEAELO Cc1nc(N)c(-c2cccc(F)c2)c[nH+]1 ZINC000026465826 180121901 /nfs/dbraw/zinc/12/19/01/180121901.db2.gz AGJOEXNMJYEJOE-UHFFFAOYSA-N 1 2 203.220 2.173 10 0 BEAELO Cc1nccc(C[NH2+][C@H](C)c2ccco2)n1 ZINC000038037407 180191748 /nfs/dbraw/zinc/19/17/48/180191748.db2.gz BTIKSRAAVJXPJZ-SECBINFHSA-N 1 2 217.272 2.229 10 0 BEAELO Cc1nc(NCC2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000282031818 180197483 /nfs/dbraw/zinc/19/74/83/180197483.db2.gz ZIBDVGFEQWWRKC-UWVGGRQHSA-N 1 2 235.331 2.401 10 0 BEAELO NNc1nc(NCc2ccccc2)cc(Cl)[nH+]1 ZINC000222930783 350256504 /nfs/dbraw/zinc/25/65/04/350256504.db2.gz DNNYPDZRFBEZIF-UHFFFAOYSA-N 1 2 249.705 2.028 10 0 BEAELO CC(C)(C)OC(=O)N1CCCc2[nH+]c[nH]c2C1 ZINC000725262050 538087839 /nfs/dbraw/zinc/08/78/39/538087839.db2.gz TVBDVMHNAVBIOB-UHFFFAOYSA-N 1 2 237.303 2.093 10 0 BEAELO CC(C)(C)OC(=O)N1CCCc2[nH]c[nH+]c2C1 ZINC000725262050 538087837 /nfs/dbraw/zinc/08/78/37/538087837.db2.gz TVBDVMHNAVBIOB-UHFFFAOYSA-N 1 2 237.303 2.093 10 0 BEAELO CCc1cc(NCC[C@H]2CCCO2)nc[nH+]1 ZINC000040765223 350395616 /nfs/dbraw/zinc/39/56/16/350395616.db2.gz HECILJQVLPUGLQ-LLVKDONJSA-N 1 2 221.304 2.020 10 0 BEAELO COC(=[NH2+])CCc1c(C)[nH]nc1C(C)C ZINC000409441978 350482562 /nfs/dbraw/zinc/48/25/62/350482562.db2.gz VXYJMRXZQZLMCF-UHFFFAOYSA-N 1 2 209.293 2.398 10 0 BEAELO COC(=[NH2+])CCc1c(C)n[nH]c1C(C)C ZINC000409441978 350482564 /nfs/dbraw/zinc/48/25/64/350482564.db2.gz VXYJMRXZQZLMCF-UHFFFAOYSA-N 1 2 209.293 2.398 10 0 BEAELO Cc1noc(C[NH2+][C@H](C)c2cccc(F)c2)n1 ZINC000037980747 180489899 /nfs/dbraw/zinc/48/98/99/180489899.db2.gz JCNJTHVYRFDJEE-MRVPVSSYSA-N 1 2 235.262 2.368 10 0 BEAELO CC[N@@H+]1CCOC[C@H]1c1ccccc1NC(C)=O ZINC000616602912 350788298 /nfs/dbraw/zinc/78/82/98/350788298.db2.gz WHOBZOKLKLUZRL-AWEZNQCLSA-N 1 2 248.326 2.038 10 0 BEAELO CC[N@H+]1CCOC[C@H]1c1ccccc1NC(C)=O ZINC000616602912 350788300 /nfs/dbraw/zinc/78/83/00/350788300.db2.gz WHOBZOKLKLUZRL-AWEZNQCLSA-N 1 2 248.326 2.038 10 0 BEAELO CC(C)(C)OC(=O)N1CC[C@H](n2cc[nH+]c2)C1 ZINC000616609680 350803335 /nfs/dbraw/zinc/80/33/35/350803335.db2.gz DSCRZPPVAXNEDR-JTQLQIEISA-N 1 2 237.303 2.065 10 0 BEAELO CNc1ccc([C@H]2CCCC[N@@H+]2CC[NH3+])cc1 ZINC000616614756 350837924 /nfs/dbraw/zinc/83/79/24/350837924.db2.gz KVUPUQQFSRREMD-CQSZACIVSA-N 1 2 233.359 2.214 10 0 BEAELO CNc1ccc([C@H]2CCCC[N@H+]2CC[NH3+])cc1 ZINC000616614756 350837926 /nfs/dbraw/zinc/83/79/26/350837926.db2.gz KVUPUQQFSRREMD-CQSZACIVSA-N 1 2 233.359 2.214 10 0 BEAELO C[C@]1(C[NH2+]N2CCCCC2)CCCS1 ZINC000306698440 350847710 /nfs/dbraw/zinc/84/77/10/350847710.db2.gz CPOWFKPREBTVSP-LLVKDONJSA-N 1 2 214.378 2.263 10 0 BEAELO Clc1ccc(OCc2[nH]cc[nH+]2)cn1 ZINC000306730059 350899584 /nfs/dbraw/zinc/89/95/84/350899584.db2.gz PBUPUTOAFIVIHE-UHFFFAOYSA-N 1 2 209.636 2.037 10 0 BEAELO Cc1csc([C@H]2[NH2+]C[C@H](C)S2)n1 ZINC000159620187 350953084 /nfs/dbraw/zinc/95/30/84/350953084.db2.gz GULUYKCQKQRDBU-BQBZGAKWSA-N 1 2 200.332 2.175 10 0 BEAELO C[NH2+][C@H](c1cscn1)c1cocc1C ZINC000306811295 351080465 /nfs/dbraw/zinc/08/04/65/351080465.db2.gz WOHRVNKEIVIGGJ-JTQLQIEISA-N 1 2 208.286 2.353 10 0 BEAELO CCOC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)CC1 ZINC000616627631 351096004 /nfs/dbraw/zinc/09/60/04/351096004.db2.gz JDFGLZRCMKETPA-JTQLQIEISA-N 1 2 237.303 2.136 10 0 BEAELO CC[N@@H+]1CCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616645277 351167441 /nfs/dbraw/zinc/16/74/41/351167441.db2.gz ATWSZKLVEDXOHQ-AWEZNQCLSA-N 1 2 243.310 2.023 10 0 BEAELO CC[N@H+]1CCO[C@H](c2cc3ccccc3nn2)C1 ZINC000616645277 351167442 /nfs/dbraw/zinc/16/74/42/351167442.db2.gz ATWSZKLVEDXOHQ-AWEZNQCLSA-N 1 2 243.310 2.023 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1c[nH]nn1 ZINC000616679666 351246269 /nfs/dbraw/zinc/24/62/69/351246269.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1c[nH]nn1 ZINC000616679666 351246271 /nfs/dbraw/zinc/24/62/71/351246271.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cn[nH]n1 ZINC000616679666 351246273 /nfs/dbraw/zinc/24/62/73/351246273.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1cn[nH]n1 ZINC000616679666 351246276 /nfs/dbraw/zinc/24/62/76/351246276.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cnn[nH]1 ZINC000616679666 351246278 /nfs/dbraw/zinc/24/62/78/351246278.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO CC(C)[N@H+]1CCc2ccccc2[C@@H]1c1cnn[nH]1 ZINC000616679666 351246280 /nfs/dbraw/zinc/24/62/80/351246280.db2.gz WYOHSZRXDGUCRY-CQSZACIVSA-N 1 2 242.326 2.161 10 0 BEAELO C[C@H]1CCS[C@@H](c2ccns2)[NH2+]1 ZINC000404456311 351461067 /nfs/dbraw/zinc/46/10/67/351461067.db2.gz WBOWXIFGFZPRSY-XPUUQOCRSA-N 1 2 200.332 2.257 10 0 BEAELO [NH3+][C@H](c1ccsn1)c1ccc(Cl)o1 ZINC000307121839 351489859 /nfs/dbraw/zinc/48/98/59/351489859.db2.gz KFKJWTUSFZKJCY-MRVPVSSYSA-N 1 2 214.677 2.438 10 0 BEAELO C[C@H](NC1=[NH+][C@@H](C)CS1)C(F)(F)F ZINC000307286658 351852137 /nfs/dbraw/zinc/85/21/37/351852137.db2.gz RSVDZFPNEVTOMQ-WHFBIAKZSA-N 1 2 212.240 2.018 10 0 BEAELO C[NH2+][C@H](c1csc(C)n1)C1=CCCO1 ZINC000168380589 352480219 /nfs/dbraw/zinc/48/02/19/352480219.db2.gz WWUHJCGSDKNCNJ-SNVBAGLBSA-N 1 2 210.302 2.016 10 0 BEAELO CCc1nc([C@H]2[NH2+][C@H](C)CS2)cs1 ZINC000307533486 352639237 /nfs/dbraw/zinc/63/92/37/352639237.db2.gz ORJXQTDFGNRWCE-MUWHJKNJSA-N 1 2 214.359 2.429 10 0 BEAELO Cc1cnc([C@@H]2[NH2+][C@H](C)CS2)s1 ZINC000307595161 352665300 /nfs/dbraw/zinc/66/53/00/352665300.db2.gz JXGSQSNTMUNONR-SVGQVSJJSA-N 1 2 200.332 2.175 10 0 BEAELO CCc1[nH+]ccn1-c1cc(C)nc(Cl)n1 ZINC000052815135 352983240 /nfs/dbraw/zinc/98/32/40/352983240.db2.gz FKEBZMZZDIDBSM-UHFFFAOYSA-N 1 2 222.679 2.187 10 0 BEAELO Ic1cc2c[nH+]ccc2[nH]1 ZINC000307225968 353061854 /nfs/dbraw/zinc/06/18/54/353061854.db2.gz FFGQJWSUNLXRCE-UHFFFAOYSA-N 1 2 244.035 2.119 10 0 BEAELO C[C@H](Nc1cncc(Cl)n1)c1[nH]cc[nH+]1 ZINC000229339913 353126313 /nfs/dbraw/zinc/12/63/13/353126313.db2.gz YRTVMHPGSZRIEF-LURJTMIESA-N 1 2 223.667 2.026 10 0 BEAELO Brc1cc(C[N@@H+]2CC[C@H]3C[C@H]32)on1 ZINC000307760753 353130592 /nfs/dbraw/zinc/13/05/92/353130592.db2.gz WVIRYJJJPLCVPA-POYBYMJQSA-N 1 2 243.104 2.031 10 0 BEAELO Brc1cc(C[N@H+]2CC[C@H]3C[C@H]32)on1 ZINC000307760753 353130595 /nfs/dbraw/zinc/13/05/95/353130595.db2.gz WVIRYJJJPLCVPA-POYBYMJQSA-N 1 2 243.104 2.031 10 0 BEAELO Nc1ccc(S[C@@H]2CCSC2)c[nH+]1 ZINC000405368782 353272639 /nfs/dbraw/zinc/27/26/39/353272639.db2.gz XXTWTZSOWAMUGX-MRVPVSSYSA-N 1 2 212.343 2.092 10 0 BEAELO Nc1ccc(SC[C@@H]2CCCCO2)c[nH+]1 ZINC000037192446 188280158 /nfs/dbraw/zinc/28/01/58/188280158.db2.gz ZTCUGKPEUARJOJ-VIFPVBQESA-N 1 2 224.329 2.325 10 0 BEAELO CNc1nc[nH+]c(Nc2cccc(C)c2C)c1N ZINC000040706889 188293095 /nfs/dbraw/zinc/29/30/95/188293095.db2.gz COQSCNPKWSSOLX-UHFFFAOYSA-N 1 2 243.314 2.461 10 0 BEAELO CNc1[nH+]cnc(Nc2cccc(C)c2C)c1N ZINC000040706889 188293097 /nfs/dbraw/zinc/29/30/97/188293097.db2.gz COQSCNPKWSSOLX-UHFFFAOYSA-N 1 2 243.314 2.461 10 0 BEAELO O=C1CCC[N@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300968182 363231692 /nfs/dbraw/zinc/23/16/92/363231692.db2.gz QHYOEDHFQDZMNZ-SECBINFHSA-N 1 2 217.259 2.087 10 0 BEAELO O=C1CCC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000300968182 363231686 /nfs/dbraw/zinc/23/16/86/363231686.db2.gz QHYOEDHFQDZMNZ-SECBINFHSA-N 1 2 217.259 2.087 10 0 BEAELO Fc1cccc(-c2nc(C[NH2+]C3CC3)no2)c1 ZINC000051861486 180993890 /nfs/dbraw/zinc/99/38/90/180993890.db2.gz FJEVPFXMCSPLCN-UHFFFAOYSA-N 1 2 233.246 2.128 10 0 BEAELO COc1cncc(C[NH2+][C@H](C)c2ncc(C)o2)c1 ZINC000343776173 353986081 /nfs/dbraw/zinc/98/60/81/353986081.db2.gz CUELHRFMTJRGQH-SNVBAGLBSA-N 1 2 247.298 2.237 10 0 BEAELO Nc1ccc(Sc2ccccn2)c[nH+]1 ZINC000019869376 355362561 /nfs/dbraw/zinc/36/25/61/355362561.db2.gz WUPOJRSNQVQXDX-UHFFFAOYSA-N 1 2 203.270 2.210 10 0 BEAELO C/C=C\CCNc1nc[nH+]c(N)c1Cl ZINC000308399751 355421386 /nfs/dbraw/zinc/42/13/86/355421386.db2.gz FVNICDFVMTXSOG-IHWYPQMZSA-N 1 2 212.684 2.090 10 0 BEAELO C/C=C\CCNc1[nH+]cnc(N)c1Cl ZINC000308399751 355421388 /nfs/dbraw/zinc/42/13/88/355421388.db2.gz FVNICDFVMTXSOG-IHWYPQMZSA-N 1 2 212.684 2.090 10 0 BEAELO O=C(C[N@@H+]1C[C@@H]2CCC[C@H]21)c1ccccc1F ZINC000639538469 356390720 /nfs/dbraw/zinc/39/07/20/356390720.db2.gz PDYXKHTYVFDEAE-GXFFZTMASA-N 1 2 233.286 2.493 10 0 BEAELO O=C(C[N@H+]1C[C@@H]2CCC[C@H]21)c1ccccc1F ZINC000639538469 356390723 /nfs/dbraw/zinc/39/07/23/356390723.db2.gz PDYXKHTYVFDEAE-GXFFZTMASA-N 1 2 233.286 2.493 10 0 BEAELO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc[nH]n1 ZINC000188953610 357605811 /nfs/dbraw/zinc/60/58/11/357605811.db2.gz LUZWBVPCSYCTMV-ZDUSSCGKSA-N 1 2 243.310 2.332 10 0 BEAELO C[NH+]1CCC(=C(F)Br)CC1 ZINC000685947347 538889338 /nfs/dbraw/zinc/88/93/38/538889338.db2.gz JSAOMHMCRKXCDN-UHFFFAOYSA-N 1 2 208.074 2.288 10 0 BEAELO c1ccc2c(c1)ccnc2OCCC[NH+]1CC1 ZINC000584606193 358265175 /nfs/dbraw/zinc/26/51/75/358265175.db2.gz LWZGARAQYIHPBZ-UHFFFAOYSA-N 1 2 228.295 2.319 10 0 BEAELO OCc1cc(OC2Cc3ccccc3C2)cc[nH+]1 ZINC000584629484 358298375 /nfs/dbraw/zinc/29/83/75/358298375.db2.gz TYCKXXBENWQDMW-UHFFFAOYSA-N 1 2 241.290 2.120 10 0 BEAELO CCOc1cc2c(cc1O)C=[NH+][C@@H](C)C2 ZINC000584640208 358326510 /nfs/dbraw/zinc/32/65/10/358326510.db2.gz GVXRGEYVIDBOQF-QMMMGPOBSA-N 1 2 205.257 2.154 10 0 BEAELO O=c1ccc2cc(Cn3cc[nH+]c3)c[nH]c-2c1 ZINC000584640510 358326654 /nfs/dbraw/zinc/32/66/54/358326654.db2.gz TXKCBJRPPZBXGL-UHFFFAOYSA-N 1 2 225.251 2.185 10 0 BEAELO Cc1nc([C@H](C)[NH2+]Cc2ccno2)cs1 ZINC000230639739 491130440 /nfs/dbraw/zinc/13/04/40/491130440.db2.gz MKWYMHNMRAFWKI-ZETCQYMHSA-N 1 2 223.301 2.290 10 0 BEAELO C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccoc1 ZINC000132319476 491135139 /nfs/dbraw/zinc/13/51/39/491135139.db2.gz AUHCHJKZVZDBIN-ZJUUUORDSA-N 1 2 219.288 2.425 10 0 BEAELO CCCCC[S@@](=O)Cc1[nH+]ccn1CC ZINC000180530618 366497114 /nfs/dbraw/zinc/49/71/14/366497114.db2.gz KDOHQPKNODIAAA-OAHLLOKOSA-N 1 2 228.361 2.342 10 0 BEAELO CCn1cc[nH+]c1C[S@](=O)CCC(C)C ZINC000177296105 134299266 /nfs/dbraw/zinc/29/92/66/134299266.db2.gz MKWMZYUMPKTIJN-OAHLLOKOSA-N 1 2 228.361 2.198 10 0 BEAELO O=C(Nc1ccccc1)[C@H]1CCCn2cc[nH+]c21 ZINC000177783659 134299880 /nfs/dbraw/zinc/29/98/80/134299880.db2.gz OKVPQZNUZOCRKO-LBPRGKRZSA-N 1 2 241.294 2.399 10 0 BEAELO CCc1cc(N[C@H]2CCCC[C@@H]2CO)nc[nH+]1 ZINC000231143378 358994912 /nfs/dbraw/zinc/99/49/12/358994912.db2.gz DNMHXLKJZCPWGI-PWSUYJOCSA-N 1 2 235.331 2.002 10 0 BEAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1ccco1 ZINC000247553437 359232759 /nfs/dbraw/zinc/23/27/59/359232759.db2.gz SUMGQCUWGSQVDU-MNOVXSKESA-N 1 2 237.299 2.368 10 0 BEAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1c1ccco1 ZINC000247553437 359232761 /nfs/dbraw/zinc/23/27/61/359232761.db2.gz SUMGQCUWGSQVDU-MNOVXSKESA-N 1 2 237.299 2.368 10 0 BEAELO C[C@H](Nc1cc[nH+]cc1F)[C@@H]1CCCO1 ZINC000309158767 491145726 /nfs/dbraw/zinc/14/57/26/491145726.db2.gz YEQDFVHQGQWOQH-KWQFWETISA-N 1 2 210.252 2.200 10 0 BEAELO CCc1cnc([C@H]2[NH2+][C@@H](C)CS2)s1 ZINC000306596545 360518217 /nfs/dbraw/zinc/51/82/17/360518217.db2.gz MPKYVTJGEJXCGH-RCOVLWMOSA-N 1 2 214.359 2.429 10 0 BEAELO CC(C)c1nc(N[C@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000153224749 360764738 /nfs/dbraw/zinc/76/47/38/360764738.db2.gz OQKQDSBBAOTJGI-ZJUUUORDSA-N 1 2 221.304 2.189 10 0 BEAELO CC(C)c1nc(N[C@@H]2CCO[C@@H]2C)cc[nH+]1 ZINC000153224510 360764937 /nfs/dbraw/zinc/76/49/37/360764937.db2.gz OQKQDSBBAOTJGI-NXEZZACHSA-N 1 2 221.304 2.189 10 0 BEAELO NC(=S)c1ccc[nH+]c1NCc1ccccc1 ZINC000019518276 181322049 /nfs/dbraw/zinc/32/20/49/181322049.db2.gz OHVDGGNDGASRKO-UHFFFAOYSA-N 1 2 243.335 2.328 10 0 BEAELO CCn1c(C)nnc1C[N@H+](C)Cc1ccccc1 ZINC000195007195 367332343 /nfs/dbraw/zinc/33/23/43/367332343.db2.gz AVRKQHLZLOTPQP-UHFFFAOYSA-N 1 2 244.342 2.238 10 0 BEAELO CCn1c(C)nnc1C[N@@H+](C)Cc1ccccc1 ZINC000195007195 367332349 /nfs/dbraw/zinc/33/23/49/367332349.db2.gz AVRKQHLZLOTPQP-UHFFFAOYSA-N 1 2 244.342 2.238 10 0 BEAELO CNc1cc(-c2cc(F)ccc2C)[nH+]c(N)n1 ZINC000223277012 368364381 /nfs/dbraw/zinc/36/43/81/368364381.db2.gz SWDFZPLDDRVAQM-UHFFFAOYSA-N 1 2 232.262 2.215 10 0 BEAELO Cc1ccc(C2=[N+](O)C(C)(C)N(O)[C@@H]2C)cc1 ZINC000225402952 370548708 /nfs/dbraw/zinc/54/87/08/370548708.db2.gz BLTOQHLIDRTTBP-SNVBAGLBSA-N 1 2 235.307 2.015 10 0 BEAELO C[C@H]1C[NH2+][C@H](c2nccs2)SC1 ZINC000161612012 370603616 /nfs/dbraw/zinc/60/36/16/370603616.db2.gz GUOUUISSVXVLRR-XPUUQOCRSA-N 1 2 200.332 2.114 10 0 BEAELO C[C@@H]1C[NH2+][C@@H](c2cncs2)SC1 ZINC000161612612 370604656 /nfs/dbraw/zinc/60/46/56/370604656.db2.gz HIXVKZOIPQVNKJ-HTRCEHHLSA-N 1 2 200.332 2.114 10 0 BEAELO C[C@@H]1CC[NH2+][C@@H](c2cncs2)S1 ZINC000161613673 370604720 /nfs/dbraw/zinc/60/47/20/370604720.db2.gz OEFJLVYJDDFLFL-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO CCn1cc[nH+]c1-c1ccccc1C=O ZINC000069030738 373109210 /nfs/dbraw/zinc/10/92/10/373109210.db2.gz XLOSWMFHWQYBAM-UHFFFAOYSA-N 1 2 200.241 2.383 10 0 BEAELO CC(=O)N[C@@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173927291 374115760 /nfs/dbraw/zinc/11/57/60/374115760.db2.gz JNJYLHMPPVNJHD-JTQLQIEISA-N 1 2 229.283 2.069 10 0 BEAELO CC(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000173927305 374116827 /nfs/dbraw/zinc/11/68/27/374116827.db2.gz JNJYLHMPPVNJHD-SNVBAGLBSA-N 1 2 229.283 2.069 10 0 BEAELO OC1CCC(Nc2cn[nH+]c3ccccc23)CC1 ZINC000097678370 183028697 /nfs/dbraw/zinc/02/86/97/183028697.db2.gz FHNWIILXOZDBAV-UHFFFAOYSA-N 1 2 243.310 2.345 10 0 BEAELO OCC1(Nc2cccc[nH+]2)CCCCC1 ZINC000053096412 183039673 /nfs/dbraw/zinc/03/96/73/183039673.db2.gz UUWPULUTCPOLPP-UHFFFAOYSA-N 1 2 206.289 2.189 10 0 BEAELO OCCCNc1ccc2ccccc2[nH+]1 ZINC000020552833 183059923 /nfs/dbraw/zinc/05/99/23/183059923.db2.gz WTPSVPGTKRIMQM-UHFFFAOYSA-N 1 2 202.257 2.029 10 0 BEAELO CCCCc1[nH+]c2ccccc2n1CCO ZINC000007466882 169028034 /nfs/dbraw/zinc/02/80/34/169028034.db2.gz XGZOAQVXNUBENX-UHFFFAOYSA-N 1 2 218.300 2.371 10 0 BEAELO OCc1ccc(N(CC(F)(F)F)C2CC2)[nH+]c1 ZINC000042779261 183164275 /nfs/dbraw/zinc/16/42/75/183164275.db2.gz SNYJCSKIVXOGIM-UHFFFAOYSA-N 1 2 246.232 2.105 10 0 BEAELO c1cn(CCOc2cccc3c2NCCC3)c[nH+]1 ZINC000038056328 183364795 /nfs/dbraw/zinc/36/47/95/183364795.db2.gz RRDCOIQQNVPVPE-UHFFFAOYSA-N 1 2 243.310 2.320 10 0 BEAELO c1cn(-c2nnc(-c3ccccc3)s2)c[nH+]1 ZINC000090067622 183383838 /nfs/dbraw/zinc/38/38/38/183383838.db2.gz ABUNCDATOAPMHU-UHFFFAOYSA-N 1 2 228.280 2.391 10 0 BEAELO CCC[NH2+][C@]1(C(=O)OC)CCCc2ccccc21 ZINC000037513342 169293381 /nfs/dbraw/zinc/29/33/81/169293381.db2.gz FBEULDYCCPRSOZ-OAHLLOKOSA-N 1 2 247.338 2.391 10 0 BEAELO CCCNc1[nH+]cnc2c1cnn2C(C)C ZINC000062367299 169296465 /nfs/dbraw/zinc/29/64/65/169296465.db2.gz OSUPXOOFZHABTO-UHFFFAOYSA-N 1 2 219.292 2.229 10 0 BEAELO CCCNc1[nH+]cccc1Cn1ccccc1=O ZINC000052732206 169296584 /nfs/dbraw/zinc/29/65/84/169296584.db2.gz LZEPBIKANYRTKX-UHFFFAOYSA-N 1 2 243.310 2.114 10 0 BEAELO CCCNc1[nH+]cccc1Cn1cc(C)cn1 ZINC000052733516 169296589 /nfs/dbraw/zinc/29/65/89/169296589.db2.gz XNWCXQUCVWRGLZ-UHFFFAOYSA-N 1 2 230.315 2.457 10 0 BEAELO CCCNc1[nH+]cccc1CN1CCCC1=O ZINC000052732125 169297246 /nfs/dbraw/zinc/29/72/46/169297246.db2.gz XXIXGIPJHZGANJ-UHFFFAOYSA-N 1 2 233.315 2.026 10 0 BEAELO CCCOc1ccc([NH2+]C[C@@H](C)C(N)=O)cc1 ZINC000051785895 169319958 /nfs/dbraw/zinc/31/99/58/169319958.db2.gz VLWDPEHBYHPTSC-SNVBAGLBSA-N 1 2 236.315 2.009 10 0 BEAELO CCCc1[nH+]c2ccccc2n1CC(=O)NCC ZINC000040295775 169595006 /nfs/dbraw/zinc/59/50/06/169595006.db2.gz VMHUUWPLJOHKDG-UHFFFAOYSA-N 1 2 245.326 2.125 10 0 BEAELO CCN(C[C@H]1CCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000112076312 383895280 /nfs/dbraw/zinc/89/52/80/383895280.db2.gz CEFVGORKFMQRCD-GFCCVEGCSA-N 1 2 247.342 2.359 10 0 BEAELO Cc1cc[nH+]cc1NC[C@@H]1CCC=CO1 ZINC000070958480 383971783 /nfs/dbraw/zinc/97/17/83/383971783.db2.gz DCYHSGWNZXNYFS-NSHDSACASA-N 1 2 204.273 2.495 10 0 BEAELO Cc1nnc([C@H](C)[N@@H+]2CCS[C@@H](C)C2)s1 ZINC000335852594 384012587 /nfs/dbraw/zinc/01/25/87/384012587.db2.gz UHHQLHSAIFBNHZ-YUMQZZPRSA-N 1 2 243.401 2.345 10 0 BEAELO Cc1nnc([C@H](C)[N@H+]2CCS[C@@H](C)C2)s1 ZINC000335852594 384012590 /nfs/dbraw/zinc/01/25/90/384012590.db2.gz UHHQLHSAIFBNHZ-YUMQZZPRSA-N 1 2 243.401 2.345 10 0 BEAELO CCOc1ccccc1[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC000296307610 384035919 /nfs/dbraw/zinc/03/59/19/384035919.db2.gz NEKGHYPUVCDBMP-JTQLQIEISA-N 1 2 246.314 2.054 10 0 BEAELO Cc1cc[nH+]cc1NCC1CCOCC1 ZINC000070958578 384143001 /nfs/dbraw/zinc/14/30/01/384143001.db2.gz HLWFOCNAKQZREH-UHFFFAOYSA-N 1 2 206.289 2.229 10 0 BEAELO Cc1cc[nH+]cc1N[C@H](C)CCn1cccn1 ZINC000159331389 384322215 /nfs/dbraw/zinc/32/22/15/384322215.db2.gz RCHKLGXKFMLVCV-GFCCVEGCSA-N 1 2 230.315 2.477 10 0 BEAELO Nc1cc(-n2ccc3ccccc32)nc[nH+]1 ZINC000095908438 384406081 /nfs/dbraw/zinc/40/60/81/384406081.db2.gz GVUHHXUNRKDNKP-UHFFFAOYSA-N 1 2 210.240 2.003 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@H]1CCCO1 ZINC000121332775 384413050 /nfs/dbraw/zinc/41/30/50/384413050.db2.gz FYWXCVUGEQKDGS-ZYHUDNBSSA-N 1 2 249.314 2.079 10 0 BEAELO C[C@H](O)CCN(C)c1ccc2ccccc2[nH+]1 ZINC000135258324 384427663 /nfs/dbraw/zinc/42/76/63/384427663.db2.gz SLXFHPKNCCNDOW-NSHDSACASA-N 1 2 230.311 2.442 10 0 BEAELO Cc1nc([C@H]2[NH2+]C[C@@H](C)CS2)cs1 ZINC000126792058 384471659 /nfs/dbraw/zinc/47/16/59/384471659.db2.gz PDZOQTLVURCQBM-MUWHJKNJSA-N 1 2 214.359 2.423 10 0 BEAELO COC(=O)[C@H]1CC[C@H](c2ccccc2C)C[NH2+]1 ZINC000079026403 384478492 /nfs/dbraw/zinc/47/84/92/384478492.db2.gz DHMSYKCKJJPEIN-WCQYABFASA-N 1 2 233.311 2.004 10 0 BEAELO COC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)C[NH2+]1 ZINC000079026392 384480419 /nfs/dbraw/zinc/48/04/19/384480419.db2.gz BSHFSTHSBFHPAK-OLZOCXBDSA-N 1 2 233.311 2.004 10 0 BEAELO CCC[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177754744 384670688 /nfs/dbraw/zinc/67/06/88/384670688.db2.gz WIFIMQCSJKSWRL-QWHCGFSZSA-N 1 2 249.358 2.310 10 0 BEAELO CCS[C@H]1CC[C@@]1(O)CNc1cccc[nH+]1 ZINC000301495518 384879982 /nfs/dbraw/zinc/87/99/82/384879982.db2.gz SRFCDNNRAYOGCQ-CMPLNLGQSA-N 1 2 238.356 2.140 10 0 BEAELO Clc1ccccc1[C@@H]1C[N@@H+](C2CC2)CCN1 ZINC000056894780 384921763 /nfs/dbraw/zinc/92/17/63/384921763.db2.gz RHXAIMYXICXMJR-ZDUSSCGKSA-N 1 2 236.746 2.449 10 0 BEAELO Clc1ccccc1[C@@H]1C[N@H+](C2CC2)CCN1 ZINC000056894780 384921767 /nfs/dbraw/zinc/92/17/67/384921767.db2.gz RHXAIMYXICXMJR-ZDUSSCGKSA-N 1 2 236.746 2.449 10 0 BEAELO C[C@@H]1C[C@H]1Nc1cc(N[C@H]2C[C@H]2C)nc[nH+]1 ZINC000302307274 384981342 /nfs/dbraw/zinc/98/13/42/384981342.db2.gz RQDYSMOMMVETHU-KYXWUPHJSA-N 1 2 218.304 2.117 10 0 BEAELO C[C@@H]1C[C@H]1Nc1cc(N[C@H]2C[C@H]2C)[nH+]cn1 ZINC000302307274 384981351 /nfs/dbraw/zinc/98/13/51/384981351.db2.gz RQDYSMOMMVETHU-KYXWUPHJSA-N 1 2 218.304 2.117 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1cc(N[C@H]2C[C@H]2C)[nH+]cn1 ZINC000302307272 384982326 /nfs/dbraw/zinc/98/23/26/384982326.db2.gz RQDYSMOMMVETHU-IMSYWVGJSA-N 1 2 218.304 2.117 10 0 BEAELO Cn1cc([C@H]2CCCN2c2cccc[nH+]2)cn1 ZINC000108946218 385119420 /nfs/dbraw/zinc/11/94/20/385119420.db2.gz IWIGJSVPNSSYHF-GFCCVEGCSA-N 1 2 228.299 2.157 10 0 BEAELO c1ccc(CNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000110111098 385210451 /nfs/dbraw/zinc/21/04/51/385210451.db2.gz RWRYCNWLLDZDIY-UHFFFAOYSA-N 1 2 226.283 2.361 10 0 BEAELO c1cncc(CNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110111103 385212117 /nfs/dbraw/zinc/21/21/17/385212117.db2.gz ZPLGJUXQOIAGQK-UHFFFAOYSA-N 1 2 226.283 2.361 10 0 BEAELO CN(C[C@H]1CCCOC1)c1cc[nH+]c(C2CC2)n1 ZINC000110587151 385249713 /nfs/dbraw/zinc/24/97/13/385249713.db2.gz DMQFEZMFASYLFN-LLVKDONJSA-N 1 2 247.342 2.217 10 0 BEAELO Cc1cnn([C@@H]2CCC[N@H+](Cc3cocn3)C2)c1 ZINC000191941872 385335380 /nfs/dbraw/zinc/33/53/80/385335380.db2.gz LNUSFVXMMGDRRB-CYBMUJFWSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1cnn([C@@H]2CCC[N@@H+](Cc3cocn3)C2)c1 ZINC000191941872 385335383 /nfs/dbraw/zinc/33/53/83/385335383.db2.gz LNUSFVXMMGDRRB-CYBMUJFWSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1ccc(NC(=O)C[C@@H](O)C(C)C)c(C)[nH+]1 ZINC000178971899 385353017 /nfs/dbraw/zinc/35/30/17/385353017.db2.gz QGEDEUMVFSBLOP-GFCCVEGCSA-N 1 2 236.315 2.044 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cnc[nH]2)o1 ZINC000054764366 385657059 /nfs/dbraw/zinc/65/70/59/385657059.db2.gz BGZHEKDNHRRAEO-SECBINFHSA-N 1 2 205.261 2.162 10 0 BEAELO CC(C)=CC[N@@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182677169 385695360 /nfs/dbraw/zinc/69/53/60/385695360.db2.gz SXBFQBRPDLSKMK-LLVKDONJSA-N 1 2 220.320 2.298 10 0 BEAELO CC(C)=CC[N@H+]1CCCC[C@@H]1c1nnc[nH]1 ZINC000182677169 385695366 /nfs/dbraw/zinc/69/53/66/385695366.db2.gz SXBFQBRPDLSKMK-LLVKDONJSA-N 1 2 220.320 2.298 10 0 BEAELO Nc1ccc(-c2c[nH]c[nH+]2)cc1Br ZINC000207003549 385670868 /nfs/dbraw/zinc/67/08/68/385670868.db2.gz AEGVOQFUXQTYPT-UHFFFAOYSA-N 1 2 238.088 2.421 10 0 BEAELO C[N@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000122800042 385777460 /nfs/dbraw/zinc/77/74/60/385777460.db2.gz FLWJBOAJUSZKKN-SNVBAGLBSA-N 1 2 221.291 2.125 10 0 BEAELO C[N@@H+](CC(F)F)C[C@@H](O)C1CCCCC1 ZINC000122800042 385777463 /nfs/dbraw/zinc/77/74/63/385777463.db2.gz FLWJBOAJUSZKKN-SNVBAGLBSA-N 1 2 221.291 2.125 10 0 BEAELO Cc1cc(C)c2[nH+]cc3c([nH]n(C)c3=O)c2c1 ZINC000040174237 385778341 /nfs/dbraw/zinc/77/83/41/385778341.db2.gz JAYDXLOMIUKTIN-UHFFFAOYSA-N 1 2 227.267 2.032 10 0 BEAELO C[C@@H](CO)[N@H+](C)Cc1nc(Cl)ccc1Cl ZINC000124054604 385979456 /nfs/dbraw/zinc/97/94/56/385979456.db2.gz FBFIXLURZNWFGM-ZETCQYMHSA-N 1 2 249.141 2.201 10 0 BEAELO C[C@@H](CO)[N@@H+](C)Cc1nc(Cl)ccc1Cl ZINC000124054604 385979461 /nfs/dbraw/zinc/97/94/61/385979461.db2.gz FBFIXLURZNWFGM-ZETCQYMHSA-N 1 2 249.141 2.201 10 0 BEAELO Cn1cc[nH+]c1CN1CCCNc2ccccc21 ZINC000131326530 386216383 /nfs/dbraw/zinc/21/63/83/386216383.db2.gz ZLIOTNZEGSPJBL-UHFFFAOYSA-N 1 2 242.326 2.242 10 0 BEAELO Nc1cc(OC2CCC2)c(Br)c[nH+]1 ZINC000307596557 386748766 /nfs/dbraw/zinc/74/87/66/386748766.db2.gz MGQHKVIMKJOVER-UHFFFAOYSA-N 1 2 243.104 2.358 10 0 BEAELO COc1ccccc1/C=C\C[NH+]1CCOCC1 ZINC000033294308 386823547 /nfs/dbraw/zinc/82/35/47/386823547.db2.gz QHDQCPYBAQHRHA-XQRVVYSFSA-N 1 2 233.311 2.041 10 0 BEAELO COC(=O)Cc1c(C)[nH+]ccc1OC(F)(F)F ZINC000575375042 386800586 /nfs/dbraw/zinc/80/05/86/386800586.db2.gz JLMYJJOXYCWHML-UHFFFAOYSA-N 1 2 249.188 2.004 10 0 BEAELO FC(F)n1ccnc1C[N@@H+]1C[C@H]2CCC[C@@H]21 ZINC000334789592 386854252 /nfs/dbraw/zinc/85/42/52/386854252.db2.gz ZIGSTZUYNMIMDE-BDAKNGLRSA-N 1 2 227.258 2.263 10 0 BEAELO FC(F)n1ccnc1C[N@H+]1C[C@H]2CCC[C@@H]21 ZINC000334789592 386854257 /nfs/dbraw/zinc/85/42/57/386854257.db2.gz ZIGSTZUYNMIMDE-BDAKNGLRSA-N 1 2 227.258 2.263 10 0 BEAELO c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)[nH+]c1 ZINC000301832156 386881800 /nfs/dbraw/zinc/88/18/00/386881800.db2.gz TWLHVYGZBHSPBZ-UHTWSYAYSA-N 1 2 230.311 2.451 10 0 BEAELO CC[C@H](C)c1[nH+]c2n(c1CO)CCCC2 ZINC000536953735 387166735 /nfs/dbraw/zinc/16/67/35/387166735.db2.gz JALWRTBACULKJX-VIFPVBQESA-N 1 2 208.305 2.225 10 0 BEAELO Cc1nc([C@@](C)([NH3+])C(F)F)sc1C ZINC000575590257 387197812 /nfs/dbraw/zinc/19/78/12/387197812.db2.gz OPNOCCWIYNASMS-QMMMGPOBSA-N 1 2 206.261 2.199 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H](C)[C@H]1CCOC1 ZINC000162946206 388254961 /nfs/dbraw/zinc/25/49/61/388254961.db2.gz VMXLNZHIMYDRKN-QWRGUYRKSA-N 1 2 206.289 2.227 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2c[nH]nn2)cc1C ZINC000296279410 388420609 /nfs/dbraw/zinc/42/06/09/388420609.db2.gz KVOKGNGEFWCLDR-LLVKDONJSA-N 1 2 230.315 2.272 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)cc1C ZINC000296279410 388420612 /nfs/dbraw/zinc/42/06/12/388420612.db2.gz KVOKGNGEFWCLDR-LLVKDONJSA-N 1 2 230.315 2.272 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)c(C)c1 ZINC000296348355 388422942 /nfs/dbraw/zinc/42/29/42/388422942.db2.gz QWLWTCONFAMPCB-NSHDSACASA-N 1 2 230.315 2.272 10 0 BEAELO COC(=O)[C@](C)([NH3+])c1ccc(Cl)cc1Cl ZINC000037459601 388843284 /nfs/dbraw/zinc/84/32/84/388843284.db2.gz GMEFQZBCOUTHEW-SNVBAGLBSA-N 1 2 248.109 2.340 10 0 BEAELO CCc1nc(N2CCC(=O)CC2)c(CC)c(C)[nH+]1 ZINC000045951251 132299514 /nfs/dbraw/zinc/29/95/14/132299514.db2.gz WPHUXKNBRMYXHM-UHFFFAOYSA-N 1 2 247.342 2.079 10 0 BEAELO Nc1nc(N2CCCCC2)c2ccccc2[nH+]1 ZINC000028759565 132334445 /nfs/dbraw/zinc/33/44/45/132334445.db2.gz GYLFMDIALRDNES-UHFFFAOYSA-N 1 2 228.299 2.202 10 0 BEAELO CC[C@H]1CCCC[N@@H+]1c1ccc(N)cc1C(N)=O ZINC000058479317 132368464 /nfs/dbraw/zinc/36/84/64/132368464.db2.gz PQCNJRZUVYSNLO-NSHDSACASA-N 1 2 247.342 2.137 10 0 BEAELO CC[C@H]1CCCC[N@H+]1c1ccc(N)cc1C(N)=O ZINC000058479317 132368465 /nfs/dbraw/zinc/36/84/65/132368465.db2.gz PQCNJRZUVYSNLO-NSHDSACASA-N 1 2 247.342 2.137 10 0 BEAELO C[C@H]([NH2+][C@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358239 134309009 /nfs/dbraw/zinc/30/90/09/134309009.db2.gz PJRCCJMNJZDAKC-ONGXEEELSA-N 1 2 232.287 2.057 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccn(C)c2)o1 ZINC000220950554 134314936 /nfs/dbraw/zinc/31/49/36/134314936.db2.gz CTWGKDCTCHNVOR-JTQLQIEISA-N 1 2 219.288 2.172 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2cccnc2)o1 ZINC000220879464 134316567 /nfs/dbraw/zinc/31/65/67/134316567.db2.gz MDEMSMSZKJNSMX-SNVBAGLBSA-N 1 2 217.272 2.229 10 0 BEAELO CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000248550166 135003638 /nfs/dbraw/zinc/00/36/38/135003638.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 1 2 222.336 2.378 10 0 BEAELO CC[C@H](C)C[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000248550166 135003639 /nfs/dbraw/zinc/00/36/39/135003639.db2.gz KGMBXMIFARLQQX-QWRGUYRKSA-N 1 2 222.336 2.378 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1nc2ccccc2o1 ZINC000077367521 135062851 /nfs/dbraw/zinc/06/28/51/135062851.db2.gz XPLICTSRQHZLPV-PHIMTYICSA-N 1 2 246.310 2.437 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1nc2ccccc2o1 ZINC000077367521 135062855 /nfs/dbraw/zinc/06/28/55/135062855.db2.gz XPLICTSRQHZLPV-PHIMTYICSA-N 1 2 246.310 2.437 10 0 BEAELO Cc1c(CNc2c[nH+]ccc2C)cnn1C ZINC000086552093 135089701 /nfs/dbraw/zinc/08/97/01/135089701.db2.gz KEEQIPXQSXXEAU-UHFFFAOYSA-N 1 2 216.288 2.044 10 0 BEAELO Brc1ccccc1[C@@H]1[NH2+]CCO1 ZINC000071533578 166103601 /nfs/dbraw/zinc/10/36/01/166103601.db2.gz HIOYDESBNOJHQT-SECBINFHSA-N 1 2 228.089 2.068 10 0 BEAELO CC(=O)C[N@@H+]1CCC2=Cc3ccccc3[C@@H]2C1 ZINC000142028053 410519943 /nfs/dbraw/zinc/51/99/43/410519943.db2.gz RXGJGHYDSPLJQC-OAHLLOKOSA-N 1 2 227.307 2.462 10 0 BEAELO CC(=O)C[N@H+]1CCC2=Cc3ccccc3[C@@H]2C1 ZINC000142028053 410519946 /nfs/dbraw/zinc/51/99/46/410519946.db2.gz RXGJGHYDSPLJQC-OAHLLOKOSA-N 1 2 227.307 2.462 10 0 BEAELO Cc1c[nH]c(CN[C@@H](C)c2csc(C)n2)[nH+]1 ZINC000657353120 411474377 /nfs/dbraw/zinc/47/43/77/411474377.db2.gz GAHNCHANZBMKHO-QMMMGPOBSA-N 1 2 236.344 2.334 10 0 BEAELO CC[NH2+][C@@H](c1ccc(C)o1)c1nccn1C ZINC000041048673 170147588 /nfs/dbraw/zinc/14/75/88/170147588.db2.gz NGWBHQOTJAKTTA-NSHDSACASA-N 1 2 219.288 2.020 10 0 BEAELO CC[NH2+][C@H](c1cscn1)c1ccco1 ZINC000062356794 170165079 /nfs/dbraw/zinc/16/50/79/170165079.db2.gz WRJRIJKBEDOUIL-SNVBAGLBSA-N 1 2 208.286 2.435 10 0 BEAELO CCNc1ccc(Cl)c(C[NH+](C)C)n1 ZINC000061630797 170173766 /nfs/dbraw/zinc/17/37/66/170173766.db2.gz JSCJXZMHSDXCDR-UHFFFAOYSA-N 1 2 213.712 2.228 10 0 BEAELO CCNc1nc([C@@H]2CCOC2)[nH+]c2c1CCCC2 ZINC000051691646 170177022 /nfs/dbraw/zinc/17/70/22/170177022.db2.gz OHNPUANMFDEFKF-SNVBAGLBSA-N 1 2 247.342 2.291 10 0 BEAELO CCNc1[nH+]cccc1Cn1cc(Cl)cn1 ZINC000052733696 170178393 /nfs/dbraw/zinc/17/83/93/170178393.db2.gz JKULSJHFRHTKSS-UHFFFAOYSA-N 1 2 236.706 2.412 10 0 BEAELO CCOC(=O)C[NH2+][C@@H]1C[C@@H]1C1CCCCC1 ZINC000365798103 170226179 /nfs/dbraw/zinc/22/61/79/170226179.db2.gz ULCFVZCPSIDJBY-VXGBXAGGSA-N 1 2 225.332 2.108 10 0 BEAELO CCOC(=O)[C@H](C)Nc1ccc([NH+](C)C)cc1 ZINC000043637775 170269353 /nfs/dbraw/zinc/26/93/53/170269353.db2.gz TVPSSUOAKCEILO-JTQLQIEISA-N 1 2 236.315 2.116 10 0 BEAELO CCOC(=O)c1ccc(NCc2[nH]cc[nH+]2)cc1 ZINC000049714810 170296946 /nfs/dbraw/zinc/29/69/46/170296946.db2.gz AOQATIPUCTWCEL-UHFFFAOYSA-N 1 2 245.282 2.199 10 0 BEAELO CCCc1nccnc1NCCCn1cc[nH+]c1 ZINC000663317383 411622948 /nfs/dbraw/zinc/62/29/48/411622948.db2.gz MZOYYEJWNLTVIM-UHFFFAOYSA-N 1 2 245.330 2.128 10 0 BEAELO CC(=O)N1CCCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616623396 411854948 /nfs/dbraw/zinc/85/49/48/411854948.db2.gz FIGHWIWHLUEEKJ-GFCCVEGCSA-N 1 2 233.315 2.127 10 0 BEAELO CC[C@@H]1c2ccccc2OC[N@H+]1CCCO ZINC000039102306 171162799 /nfs/dbraw/zinc/16/27/99/171162799.db2.gz BZIDYASVLKQFQP-GFCCVEGCSA-N 1 2 221.300 2.172 10 0 BEAELO CC[C@@H]1c2ccccc2OC[N@@H+]1CCCO ZINC000039102306 171162801 /nfs/dbraw/zinc/16/28/01/171162801.db2.gz BZIDYASVLKQFQP-GFCCVEGCSA-N 1 2 221.300 2.172 10 0 BEAELO CCc1ccc([C@H]([NH3+])c2noc(CC)n2)s1 ZINC000051720804 172004021 /nfs/dbraw/zinc/00/40/21/172004021.db2.gz ODAWYQUPHBEYBT-JTQLQIEISA-N 1 2 237.328 2.304 10 0 BEAELO CCn1ccnc1C[NH2+][C@@H](C)c1ccco1 ZINC000051921487 172224525 /nfs/dbraw/zinc/22/45/25/172224525.db2.gz MXMMZVRDJJHXKR-JTQLQIEISA-N 1 2 219.288 2.347 10 0 BEAELO CN(C)C(=O)CCNc1ccc2ccccc2[nH+]1 ZINC000037752214 172361518 /nfs/dbraw/zinc/36/15/18/172361518.db2.gz GSYLDNDDSRFMHN-UHFFFAOYSA-N 1 2 243.310 2.125 10 0 BEAELO C[N@@H+]1CCCC[C@@H]1c1cc(C=O)cnc1F ZINC000039110451 173008510 /nfs/dbraw/zinc/00/85/10/173008510.db2.gz GSLCNECQKZZUSS-LLVKDONJSA-N 1 2 222.263 2.190 10 0 BEAELO C[N@H+]1CCCC[C@@H]1c1cc(C=O)cnc1F ZINC000039110451 173008512 /nfs/dbraw/zinc/00/85/12/173008512.db2.gz GSLCNECQKZZUSS-LLVKDONJSA-N 1 2 222.263 2.190 10 0 BEAELO C[N@@H+]1CCc2cc(Br)oc2C1 ZINC000082370070 173170409 /nfs/dbraw/zinc/17/04/09/173170409.db2.gz MSCXGRKKWADYGO-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO C[N@H+]1CCc2cc(Br)oc2C1 ZINC000082370070 173170413 /nfs/dbraw/zinc/17/04/13/173170413.db2.gz MSCXGRKKWADYGO-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO C[N@@H+]1CCc2c(Br)scc2C1 ZINC000082345074 173170658 /nfs/dbraw/zinc/17/06/58/173170658.db2.gz XDLYEXQBLQFAMY-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO C[N@H+]1CCc2c(Br)scc2C1 ZINC000082345074 173170659 /nfs/dbraw/zinc/17/06/59/173170659.db2.gz XDLYEXQBLQFAMY-UHFFFAOYSA-N 1 2 232.146 2.499 10 0 BEAELO COCCCNc1ccc2cc(N)ccc2[nH+]1 ZINC000035343652 174252388 /nfs/dbraw/zinc/25/23/88/174252388.db2.gz UGUJHTCSDXXMQQ-UHFFFAOYSA-N 1 2 231.299 2.265 10 0 BEAELO COCCCn1cc[nH+]c1-c1cccc(N)c1 ZINC000037753818 174266540 /nfs/dbraw/zinc/26/65/40/174266540.db2.gz DSCUPXZUAGILPE-UHFFFAOYSA-N 1 2 231.299 2.169 10 0 BEAELO COCC[N@H+](CC(=O)c1ccc(C)cc1)C1CC1 ZINC000042518992 174286088 /nfs/dbraw/zinc/28/60/88/174286088.db2.gz BIYXIHFBRIMINK-UHFFFAOYSA-N 1 2 247.338 2.289 10 0 BEAELO COCC[N@@H+](CC(=O)c1ccc(C)cc1)C1CC1 ZINC000042518992 174286089 /nfs/dbraw/zinc/28/60/89/174286089.db2.gz BIYXIHFBRIMINK-UHFFFAOYSA-N 1 2 247.338 2.289 10 0 BEAELO COCc1cc(N)c2ccc(F)c(C)c2[nH+]1 ZINC000051698694 174620136 /nfs/dbraw/zinc/62/01/36/174620136.db2.gz OGAXLTULTZWCLL-UHFFFAOYSA-N 1 2 220.247 2.411 10 0 BEAELO COCc1cc(N)c2cc(F)ccc2[nH+]1 ZINC000051698553 174620153 /nfs/dbraw/zinc/62/01/53/174620153.db2.gz MCMXWAWFTDNZQH-UHFFFAOYSA-N 1 2 206.220 2.103 10 0 BEAELO COc1cc2c(cc1OC)C[C@@H](C)[NH+]=C2 ZINC000004262285 175024494 /nfs/dbraw/zinc/02/44/94/175024494.db2.gz JPRGVFYGQHOMSM-MRVPVSSYSA-N 1 2 205.257 2.067 10 0 BEAELO COc1ccc(C[NH2+][C@@H](C)c2ccc(C)o2)nn1 ZINC000283306849 175109486 /nfs/dbraw/zinc/10/94/86/175109486.db2.gz YURILCKSGPOHSY-JTQLQIEISA-N 1 2 247.298 2.237 10 0 BEAELO COc1ccc(C[NH2+][C@H](C)c2ccc(C)o2)nn1 ZINC000283306850 175111015 /nfs/dbraw/zinc/11/10/15/175111015.db2.gz YURILCKSGPOHSY-SNVBAGLBSA-N 1 2 247.298 2.237 10 0 BEAELO COc1ccc(COc2cc(N)cc[nH+]2)cc1 ZINC000043569525 175114402 /nfs/dbraw/zinc/11/44/02/175114402.db2.gz RPSRJFSFOHEIHW-UHFFFAOYSA-N 1 2 230.267 2.251 10 0 BEAELO COc1ccc(Cl)cc1[C@H]([NH3+])c1ncccn1 ZINC000055222774 175123320 /nfs/dbraw/zinc/12/33/20/175123320.db2.gz CUTKNIVCOGMDMI-NSHDSACASA-N 1 2 249.701 2.187 10 0 BEAELO COc1ccc(NCc2[nH+]ccn2C)c(OC)c1 ZINC000034937805 175153165 /nfs/dbraw/zinc/15/31/65/175153165.db2.gz HXTFUGDEVLUYPZ-UHFFFAOYSA-N 1 2 247.298 2.049 10 0 BEAELO COc1ccc2c(c1)[C@H](O)[C@H](n1cc[nH+]c1)CC2 ZINC000027327108 175217308 /nfs/dbraw/zinc/21/73/08/175217308.db2.gz VVFFIGADLXLSFZ-KGLIPLIRSA-N 1 2 244.294 2.113 10 0 BEAELO COc1cccc(Oc2cc[nH+]cc2N)c1 ZINC000020370587 175284710 /nfs/dbraw/zinc/28/47/10/175284710.db2.gz NSHRJAQJJNXZSZ-UHFFFAOYSA-N 1 2 216.240 2.465 10 0 BEAELO COc1ccccc1Cc1nc(N)c(C)c(C)[nH+]1 ZINC000050847377 175335321 /nfs/dbraw/zinc/33/53/21/175335321.db2.gz QMOFERWJAXPZLW-UHFFFAOYSA-N 1 2 243.310 2.275 10 0 BEAELO COc1ccccc1[C@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054763454 175352390 /nfs/dbraw/zinc/35/23/90/175352390.db2.gz IMVPHKJZMPCELN-JTQLQIEISA-N 1 2 231.299 2.269 10 0 BEAELO C[C@@H](O)c1ccccc1OCCn1cc[nH+]c1 ZINC000035626938 176000053 /nfs/dbraw/zinc/00/00/53/176000053.db2.gz PYVBCUOOWBICLZ-LLVKDONJSA-N 1 2 232.283 2.015 10 0 BEAELO C[C@@H]([C@H]1CCCO1)n1c(N)[nH+]c2c1cccc2F ZINC000037421506 176011792 /nfs/dbraw/zinc/01/17/92/176011792.db2.gz VMOQBASQKFOOPV-GZMMTYOYSA-N 1 2 249.289 2.498 10 0 BEAELO C[C@@H]1CCC[C@@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336400898 176112426 /nfs/dbraw/zinc/11/24/26/176112426.db2.gz WFBOCDXVJQAXMO-VXGBXAGGSA-N 1 2 247.342 2.052 10 0 BEAELO C[C@@H]1CCC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000329598279 176151375 /nfs/dbraw/zinc/15/13/75/176151375.db2.gz JHUZQHVNMXAFMH-MWLCHTKSSA-N 1 2 246.314 2.298 10 0 BEAELO C[C@@H]1C(=O)C[C@H](C)C[N@@H+]1Cc1ccccc1 ZINC000068592983 177063087 /nfs/dbraw/zinc/06/30/87/177063087.db2.gz FABAJOBMSRCVJN-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C(=O)C[C@H](C)C[N@H+]1Cc1ccccc1 ZINC000068592983 177063088 /nfs/dbraw/zinc/06/30/88/177063088.db2.gz FABAJOBMSRCVJN-NWDGAFQWSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1C[N@H+](Cc2nccs2)CCS1 ZINC000135043737 177271608 /nfs/dbraw/zinc/27/16/08/177271608.db2.gz JAMHBDKRNORSQI-QMMMGPOBSA-N 1 2 214.359 2.080 10 0 BEAELO C[C@H]1C[N@@H+](Cc2nccs2)CCS1 ZINC000135043737 177271609 /nfs/dbraw/zinc/27/16/09/177271609.db2.gz JAMHBDKRNORSQI-QMMMGPOBSA-N 1 2 214.359 2.080 10 0 BEAELO C[C@H](c1ccccn1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000219738172 177276813 /nfs/dbraw/zinc/27/68/13/177276813.db2.gz QHULROLQMGRQAQ-WDEREUQCSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@H](c1ccccn1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000219738172 177276815 /nfs/dbraw/zinc/27/68/15/177276815.db2.gz QHULROLQMGRQAQ-WDEREUQCSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@H]1CN2CCCC[C@H]2C[N@@H+]1Cc1ccco1 ZINC000251663851 177279901 /nfs/dbraw/zinc/27/99/01/177279901.db2.gz HAINTICPDIWHCU-STQMWFEESA-N 1 2 234.343 2.338 10 0 BEAELO C[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccco1 ZINC000251663851 177279902 /nfs/dbraw/zinc/27/99/02/177279902.db2.gz HAINTICPDIWHCU-STQMWFEESA-N 1 2 234.343 2.338 10 0 BEAELO C[C@H]1C[C@@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301898842 177350813 /nfs/dbraw/zinc/35/08/13/177350813.db2.gz XGNWGIORJIWEPS-XVKPBYJWSA-N 1 2 214.272 2.032 10 0 BEAELO C[C@H]1C[C@H]([NH2+]Cc2ncn[nH]2)CC(C)(C)C1 ZINC000037919057 177371760 /nfs/dbraw/zinc/37/17/60/177371760.db2.gz AVWSJJOLLRCAOM-UWVGGRQHSA-N 1 2 222.336 2.109 10 0 BEAELO Cc1ccc(O)c(CNc2ccc(C)[nH+]c2)n1 ZINC000128084793 324805336 /nfs/dbraw/zinc/80/53/36/324805336.db2.gz VUHWADYSDKKYMF-UHFFFAOYSA-N 1 2 229.283 2.411 10 0 BEAELO COC[C@@H](C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000131760767 325181971 /nfs/dbraw/zinc/18/19/71/325181971.db2.gz WXWQKJAWTNPBAK-LBPRGKRZSA-N 1 2 249.358 2.376 10 0 BEAELO COc1cccc(F)c1[C@H](C)NCc1[nH]cc[nH+]1 ZINC000134773403 325376231 /nfs/dbraw/zinc/37/62/31/325376231.db2.gz XWSNYMSFGAGLCV-VIFPVBQESA-N 1 2 249.289 2.408 10 0 BEAELO CCCCN(CC)C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000220515187 487988581 /nfs/dbraw/zinc/98/85/81/487988581.db2.gz POHHDEICDYCSDL-LLVKDONJSA-N 1 2 249.358 2.163 10 0 BEAELO CCCCN(CC)C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000220515187 487988585 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/nfs/dbraw/zinc/83/06/63/535830663.db2.gz RRBMQCHRYHMDRU-IUCAKERBSA-N 1 2 221.304 2.023 10 0 BEAELO CN1CCc2cc([NH2+]C[C@@H]3CCCO3)ccc21 ZINC000757123276 582498152 /nfs/dbraw/zinc/49/81/52/582498152.db2.gz ACCJSGKMWNTPHD-ZDUSSCGKSA-N 1 2 232.327 2.270 10 0 BEAELO Nc1nc(N2CCCCC2)nc(C2CCCC2)[nH+]1 ZINC000104382470 582793019 /nfs/dbraw/zinc/79/30/19/582793019.db2.gz SOBAPMJGVLSGDB-UHFFFAOYSA-N 1 2 247.346 2.102 10 0 BEAELO Nc1nc(C2CCCC2)[nH+]c(N2CCCCC2)n1 ZINC000104382470 582793024 /nfs/dbraw/zinc/79/30/24/582793024.db2.gz SOBAPMJGVLSGDB-UHFFFAOYSA-N 1 2 247.346 2.102 10 0 BEAELO Fc1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH]cn1 ZINC000112344065 582819706 /nfs/dbraw/zinc/81/97/06/582819706.db2.gz KLMCPNBXXPXODL-ZDUSSCGKSA-N 1 2 231.274 2.326 10 0 BEAELO C[C@H](O)c1ccc(N(C)Cc2cscn2)[nH+]c1 ZINC000213264769 583164859 /nfs/dbraw/zinc/16/48/59/583164859.db2.gz FOPDOUYEVHIADJ-VIFPVBQESA-N 1 2 249.339 2.228 10 0 BEAELO C[C@H](O)c1ccc(N2CCS[C@@H](C)C2)[nH+]c1 ZINC000123571304 589755355 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BYEPNFPTOQWBLY-UHFFFAOYSA-N 1 2 226.077 2.367 10 0 BEAELO CC(=O)c1ccnc(-n2c[nH+]c(C)c2C)c1 ZINC000087400544 640884136 /nfs/dbraw/zinc/88/41/36/640884136.db2.gz YSYPAMFIMXMLRV-UHFFFAOYSA-N 1 2 215.256 2.087 10 0 BEAELO CC[N@H+](Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000060979601 640906296 /nfs/dbraw/zinc/90/62/96/640906296.db2.gz OGUYUBPXRZJPJA-UHFFFAOYSA-N 1 2 242.326 2.252 10 0 BEAELO CC[N@@H+](Cc1cnn(-c2ccccc2)n1)C1CC1 ZINC000060979601 640906298 /nfs/dbraw/zinc/90/62/98/640906298.db2.gz OGUYUBPXRZJPJA-UHFFFAOYSA-N 1 2 242.326 2.252 10 0 BEAELO C[C@H]1C[N@H+](Cn2cccnc2=S)CCS1 ZINC000171605757 640995091 /nfs/dbraw/zinc/99/50/91/640995091.db2.gz GNDLBDNOXVSJIS-VIFPVBQESA-N 1 2 241.385 2.007 10 0 BEAELO C[C@H]1C[N@@H+](Cn2cccnc2=S)CCS1 ZINC000171605757 640995097 /nfs/dbraw/zinc/99/50/97/640995097.db2.gz GNDLBDNOXVSJIS-VIFPVBQESA-N 1 2 241.385 2.007 10 0 BEAELO CCC(=O)CC[N@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000190264002 641854891 /nfs/dbraw/zinc/85/48/91/641854891.db2.gz URQIKCUCTZKEPD-JTQLQIEISA-N 1 2 243.347 2.018 10 0 BEAELO CCC(=O)CC[N@@H+](C)[C@@H](C)C(=O)OC(C)(C)C ZINC000190264002 641854893 /nfs/dbraw/zinc/85/48/93/641854893.db2.gz URQIKCUCTZKEPD-JTQLQIEISA-N 1 2 243.347 2.018 10 0 BEAELO C[C@@H]([NH2+][C@@H]1COc2ccccc21)c1cnccn1 ZINC000070528363 643035083 /nfs/dbraw/zinc/03/50/83/643035083.db2.gz KAMWKGLMKYESQT-ZWNOBZJWSA-N 1 2 241.294 2.261 10 0 BEAELO COCC[NH+](C/C=C/Cl)C/C=C/Cl ZINC000119333880 643057522 /nfs/dbraw/zinc/05/75/22/643057522.db2.gz WBAMPXLGOZCMHI-ZUVMSYQZSA-N 1 2 224.131 2.440 10 0 BEAELO Cc1cnc(C[NH2+][C@@H](C)c2cn(C)cn2)c(C)c1 ZINC000724070590 711558640 /nfs/dbraw/zinc/55/86/40/711558640.db2.gz MLJLANRYLIESIZ-LBPRGKRZSA-N 1 2 244.342 2.283 10 0 BEAELO CSC1CC(Nc2cc[nH+]c(C)n2)C1 ZINC000708259932 712184984 /nfs/dbraw/zinc/18/49/84/712184984.db2.gz GZDZGHSJQKNWTH-UHFFFAOYSA-N 1 2 209.318 2.091 10 0 BEAELO Cc1conc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000708315314 712186559 /nfs/dbraw/zinc/18/65/59/712186559.db2.gz NWKSXCPBIWEYSR-GFCCVEGCSA-N 1 2 244.294 2.466 10 0 BEAELO CC[C@H](C)[C@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000685963578 538910460 /nfs/dbraw/zinc/91/04/60/538910460.db2.gz SVWGGLSDQZBBHO-ZEGGKSINSA-N 1 2 220.316 2.012 10 0 BEAELO Cc1cc(C[NH2+][C@@H]2COc3ccccc32)no1 ZINC000336464307 178036020 /nfs/dbraw/zinc/03/60/20/178036020.db2.gz CEALHAMMFNZOBM-GFCCVEGCSA-N 1 2 230.267 2.206 10 0 BEAELO Cc1cc(N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000301334562 178101085 /nfs/dbraw/zinc/10/10/85/178101085.db2.gz FVTKYTKFAJRFLG-RTXFEEFZSA-N 1 2 247.342 2.035 10 0 BEAELO COC(=O)[C@@H]1CCc2[nH+]cc(C(C)C)n2CC1 ZINC000536960925 398199955 /nfs/dbraw/zinc/19/99/55/398199955.db2.gz SSDRXKKYXQNHFG-SNVBAGLBSA-N 1 2 236.315 2.132 10 0 BEAELO Cc1cc([NH3+])ccc1N(CCO)C1CCCC1 ZINC000042502230 178105636 /nfs/dbraw/zinc/10/56/36/178105636.db2.gz JXYHWHHNOVHREY-UHFFFAOYSA-N 1 2 234.343 2.319 10 0 BEAELO Cc1cc(N)ccc1[NH2+][C@H](C)Cn1cccn1 ZINC000042539101 178106707 /nfs/dbraw/zinc/10/67/07/178106707.db2.gz LXVVUVUMGQTFSU-LLVKDONJSA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc([NH3+])ccc1N[C@H](C)Cn1cccn1 ZINC000042539101 178106709 /nfs/dbraw/zinc/10/67/09/178106709.db2.gz LXVVUVUMGQTFSU-LLVKDONJSA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc(N)ccc1[NH2+][C@@H](C)Cn1cccn1 ZINC000042539098 178107416 /nfs/dbraw/zinc/10/74/16/178107416.db2.gz LXVVUVUMGQTFSU-NSHDSACASA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc([NH3+])ccc1N[C@@H](C)Cn1cccn1 ZINC000042539098 178107418 /nfs/dbraw/zinc/10/74/18/178107418.db2.gz LXVVUVUMGQTFSU-NSHDSACASA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C[C@H]1CCCOC1 ZINC000044981814 178107549 /nfs/dbraw/zinc/10/75/49/178107549.db2.gz FFJLHFZTQDMOOA-LLVKDONJSA-N 1 2 220.316 2.416 10 0 BEAELO Cc1cc(N)nc(Cc2ccccc2C)[nH+]1 ZINC000050845264 178110167 /nfs/dbraw/zinc/11/01/67/178110167.db2.gz CBDXUJOXASQLFT-UHFFFAOYSA-N 1 2 213.284 2.266 10 0 BEAELO COC(=O)N1CCCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616622172 398207302 /nfs/dbraw/zinc/20/73/02/398207302.db2.gz VMGHIUKFPYKHLC-NSHDSACASA-N 1 2 249.314 2.178 10 0 BEAELO Cc1cc(NC(=O)N(C)C[C@@H]2CCCO2)cc[nH+]1 ZINC000119648801 178136658 /nfs/dbraw/zinc/13/66/58/178136658.db2.gz HOZDAZINFYFHRC-LBPRGKRZSA-N 1 2 249.314 2.033 10 0 BEAELO Cc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000119448667 178137992 /nfs/dbraw/zinc/13/79/92/178137992.db2.gz MYEIBKHAICZBGZ-QWRGUYRKSA-N 1 2 249.314 2.031 10 0 BEAELO Cc1cc(N[C@@H]2CCC[C@@]2(C)CO)nc(C)[nH+]1 ZINC000301432750 178181718 /nfs/dbraw/zinc/18/17/18/178181718.db2.gz GLKXUKLDRBNYOL-YPMHNXCESA-N 1 2 235.331 2.056 10 0 BEAELO Cc1cc([NH2+][C@H](C)Cn2cccn2)ccc1N ZINC000042539148 178185896 /nfs/dbraw/zinc/18/58/96/178185896.db2.gz JWNNRLLREIJBSA-LLVKDONJSA-N 1 2 230.315 2.274 10 0 BEAELO Cc1ccc(-c2[nH+]c(C3CC3)n(N)c2N)cc1 ZINC000052839026 178332662 /nfs/dbraw/zinc/33/26/62/178332662.db2.gz RYEHFTXZHBSVGZ-UHFFFAOYSA-N 1 2 228.299 2.032 10 0 BEAELO Cc1ccc(-c2nc(C[NH2+]C3CC3)no2)cc1 ZINC000051861475 178336189 /nfs/dbraw/zinc/33/61/89/178336189.db2.gz CYAMUXOXMSRCEC-UHFFFAOYSA-N 1 2 229.283 2.297 10 0 BEAELO Cc1ccc(C(=O)Cn2cc[nH+]c2)cc1 ZINC000034224015 178374837 /nfs/dbraw/zinc/37/48/37/178374837.db2.gz YXZGXAFUODARQY-UHFFFAOYSA-N 1 2 200.241 2.074 10 0 BEAELO CC(C)C1([NH2+]Cc2nnsc2Cl)CC1 ZINC000378871588 346849851 /nfs/dbraw/zinc/84/98/51/346849851.db2.gz OYWLBCBUGNNAEI-UHFFFAOYSA-N 1 2 231.752 2.470 10 0 BEAELO c1nc(C[NH2+][C@H]2CCOc3ccccc32)co1 ZINC000182064171 538961739 /nfs/dbraw/zinc/96/17/39/538961739.db2.gz RGRMDLKHIBLOFK-LBPRGKRZSA-N 1 2 230.267 2.288 10 0 BEAELO Cc1[nH]ncc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000380059450 538984214 /nfs/dbraw/zinc/98/42/14/538984214.db2.gz ZFSJWSOZMNZXLR-LURJTMIESA-N 1 2 215.247 2.166 10 0 BEAELO Cc1cc[nH+]cc1N[C@H](C)[C@@H]1CCCO1 ZINC000389730149 539017052 /nfs/dbraw/zinc/01/70/52/539017052.db2.gz SDLBURFQTXHFDD-PWSUYJOCSA-N 1 2 206.289 2.369 10 0 BEAELO Clc1csc(NCCc2c[nH]c[nH+]2)n1 ZINC000165057502 342872505 /nfs/dbraw/zinc/87/25/05/342872505.db2.gz YKBFIBKBHNOVRQ-UHFFFAOYSA-N 1 2 228.708 2.174 10 0 BEAELO Clc1csc(NCCc2c[nH+]c[nH]2)n1 ZINC000165057502 342872506 /nfs/dbraw/zinc/87/25/06/342872506.db2.gz YKBFIBKBHNOVRQ-UHFFFAOYSA-N 1 2 228.708 2.174 10 0 BEAELO C[C@@H]1CC([NH2+]OC(C)(C)C)C[C@@H](C)O1 ZINC000134493037 342858967 /nfs/dbraw/zinc/85/89/67/342858967.db2.gz FLHUDVTVFCWBBI-RKDXNWHRSA-N 1 2 201.310 2.262 10 0 BEAELO CNc1[nH+]cnc(NCc2ccccc2)c1OC ZINC000134813414 342893275 /nfs/dbraw/zinc/89/32/75/342893275.db2.gz AWRHDBXFQFWZED-UHFFFAOYSA-N 1 2 244.298 2.139 10 0 BEAELO CNc1nc[nH+]c(NCc2ccccc2)c1OC ZINC000134813414 342893277 /nfs/dbraw/zinc/89/32/77/342893277.db2.gz AWRHDBXFQFWZED-UHFFFAOYSA-N 1 2 244.298 2.139 10 0 BEAELO CNc1c(N)c[nH+]c2c(OC(F)F)cccc12 ZINC000584882745 343085376 /nfs/dbraw/zinc/08/53/76/343085376.db2.gz OUXOFZQLGHGOLT-UHFFFAOYSA-N 1 2 239.225 2.460 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000144297848 343132009 /nfs/dbraw/zinc/13/20/09/343132009.db2.gz AXIBLWOMXBAITH-LLVKDONJSA-N 1 2 211.692 2.343 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1ccc(Cl)cc1 ZINC000144297848 343132012 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CC(C)[C@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177786713 187306785 /nfs/dbraw/zinc/30/67/85/187306785.db2.gz GLNPDINBCZWNJC-QWHCGFSZSA-N 1 2 249.358 2.166 10 0 BEAELO CNc1[nH+]cc(C(F)(F)C(F)(F)F)cc1N ZINC000221510222 345864030 /nfs/dbraw/zinc/86/40/30/345864030.db2.gz MXQKKQVIUWADLJ-UHFFFAOYSA-N 1 2 241.163 2.360 10 0 BEAELO C[C@@H](c1ccncc1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000049693730 488314312 /nfs/dbraw/zinc/31/43/12/488314312.db2.gz SOUQNDSSMUNRBD-MNOVXSKESA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H](c1ccncc1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000049693730 488314315 /nfs/dbraw/zinc/31/43/15/488314315.db2.gz SOUQNDSSMUNRBD-MNOVXSKESA-N 1 2 218.300 2.054 10 0 BEAELO Cc1cccc(C[N@@H+]2Cc3cccc(N)c3C2)n1 ZINC000051577558 179085077 /nfs/dbraw/zinc/08/50/77/179085077.db2.gz URUCVTZULBAZTH-UHFFFAOYSA-N 1 2 239.322 2.488 10 0 BEAELO Cc1cccc(C[N@H+]2Cc3cccc(N)c3C2)n1 ZINC000051577558 179085078 /nfs/dbraw/zinc/08/50/78/179085078.db2.gz URUCVTZULBAZTH-UHFFFAOYSA-N 1 2 239.322 2.488 10 0 BEAELO COc1cc2c(cc1OC)C(C)(C)C[NH+]=C2 ZINC000164619057 346612878 /nfs/dbraw/zinc/61/28/78/346612878.db2.gz DBZYYELJDAQDLJ-UHFFFAOYSA-N 1 2 219.284 2.414 10 0 BEAELO [NH3+][C@H](c1csnn1)c1ccc(Cl)s1 ZINC000164703662 346618038 /nfs/dbraw/zinc/61/80/38/346618038.db2.gz PHPQCKPGZOSKOO-SSDOTTSWSA-N 1 2 231.733 2.301 10 0 BEAELO Cc1c(OCc2ccccc2)cc[nH+]c1CO ZINC000039150495 347181052 /nfs/dbraw/zinc/18/10/52/347181052.db2.gz IWAJCFFIPYZWCX-UHFFFAOYSA-N 1 2 229.279 2.461 10 0 BEAELO CCOC(=O)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000138276995 347368219 /nfs/dbraw/zinc/36/82/19/347368219.db2.gz BFQQCYSPWIXGQG-CHWSQXEVSA-N 1 2 233.311 2.085 10 0 BEAELO C[NH+](C)CC(=O)c1coc2ccccc12 ZINC000037333590 348339908 /nfs/dbraw/zinc/33/99/08/348339908.db2.gz LXJXXCSKFNMWEK-UHFFFAOYSA-N 1 2 203.241 2.177 10 0 BEAELO C[C@@H]1C[C@@H]([NH2+]OC(C)(C)C)C[C@H](C)O1 ZINC000251779300 362914378 /nfs/dbraw/zinc/91/43/78/362914378.db2.gz FLHUDVTVFCWBBI-ILWJIGKKSA-N 1 2 201.310 2.262 10 0 BEAELO CC(C)(C)[C@@H]([NH3+])c1n[nH]c(C2CCC2)n1 ZINC000616574621 349080365 /nfs/dbraw/zinc/08/03/65/349080365.db2.gz UFMGKAUKENZUBS-QMMMGPOBSA-N 1 2 208.309 2.118 10 0 BEAELO Cc1nc2sc3c(c2c(NN)[nH+]1)CC[C@@H](C)C3 ZINC000031863454 180020177 /nfs/dbraw/zinc/02/01/77/180020177.db2.gz OSBGCTKXBLXTBV-ZCFIWIBFSA-N 1 2 248.355 2.410 10 0 BEAELO Cc1nc([C@H](C)[NH2+]Cc2cn[nH]c2)c(C)s1 ZINC000038006008 180052053 /nfs/dbraw/zinc/05/20/53/180052053.db2.gz OLHMQQOSGHEOFH-ZETCQYMHSA-N 1 2 236.344 2.334 10 0 BEAELO Cc1nc([C@H]([NH3+])c2cccc(Cl)c2)no1 ZINC000036762202 180053880 /nfs/dbraw/zinc/05/38/80/180053880.db2.gz UZQFOERGQUQMPV-SECBINFHSA-N 1 2 223.663 2.080 10 0 BEAELO Cc1nc([C@]2([NH3+])CCN(C(C)C)C2)sc1C ZINC000045659866 180059905 /nfs/dbraw/zinc/05/99/05/180059905.db2.gz NNCALWCDHILDLN-LBPRGKRZSA-N 1 2 239.388 2.028 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1ccc2n[nH]cc2c1 ZINC000054795162 180122360 /nfs/dbraw/zinc/12/23/60/180122360.db2.gz SRXAJJJWCXIARM-UHFFFAOYSA-N 1 2 227.271 2.207 10 0 BEAELO 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/nfs/dbraw/zinc/50/73/58/351507358.db2.gz QFQUCOMPOBDBIY-WHXYTISESA-N 1 2 201.697 2.040 10 0 BEAELO C[C@@H]1CCS[C@H](c2ccns2)[NH2+]1 ZINC000404456306 363060929 /nfs/dbraw/zinc/06/09/29/363060929.db2.gz WBOWXIFGFZPRSY-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO CC(C)(C)Nc1nc[nH+]c(N)c1Br ZINC000232494495 352756534 /nfs/dbraw/zinc/75/65/34/352756534.db2.gz OJFGGYSMESKEGH-UHFFFAOYSA-N 1 2 245.124 2.032 10 0 BEAELO CC(C)(C)Nc1[nH+]cnc(N)c1Br ZINC000232494495 352756535 /nfs/dbraw/zinc/75/65/35/352756535.db2.gz OJFGGYSMESKEGH-UHFFFAOYSA-N 1 2 245.124 2.032 10 0 BEAELO O=C(C1CCCCCC1)N1CCn2cc[nH+]c2C1 ZINC000334282220 352922762 /nfs/dbraw/zinc/92/27/62/352922762.db2.gz TYWNTBSWMXITLW-UHFFFAOYSA-N 1 2 247.342 2.196 10 0 BEAELO CC(C)COCCNc1cc[nH+]c(C2CC2)n1 ZINC000301236053 188043270 /nfs/dbraw/zinc/04/32/70/188043270.db2.gz KHVYQXHIMMXSCC-UHFFFAOYSA-N 1 2 235.331 2.439 10 0 BEAELO Cc1nc([C@H]2[NH2+]C[C@H](C)S2)cs1 ZINC000126781998 353255245 /nfs/dbraw/zinc/25/52/45/353255245.db2.gz 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220.247 2.491 10 0 BEAELO C[C@H](O)CNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000026474110 353797213 /nfs/dbraw/zinc/79/72/13/353797213.db2.gz FKHULXLAMAWWST-LURJTMIESA-N 1 2 225.679 2.009 10 0 BEAELO C[C@H](O)CNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000026474110 353797216 /nfs/dbraw/zinc/79/72/16/353797216.db2.gz FKHULXLAMAWWST-LURJTMIESA-N 1 2 225.679 2.009 10 0 BEAELO NC(=[NH2+])c1nc(-c2ccccc2)cs1 ZINC000075847700 181197978 /nfs/dbraw/zinc/19/79/78/181197978.db2.gz XJJWFMZGMOSXIL-UHFFFAOYSA-N 1 2 203.270 2.094 10 0 BEAELO CCCNc1nc[nH+]c(NC)c1Br ZINC000233199462 355645327 /nfs/dbraw/zinc/64/53/27/355645327.db2.gz DFGKTRNFMVVFBR-UHFFFAOYSA-N 1 2 245.124 2.103 10 0 BEAELO CCCNc1[nH+]cnc(NC)c1Br ZINC000233199462 355645332 /nfs/dbraw/zinc/64/53/32/355645332.db2.gz DFGKTRNFMVVFBR-UHFFFAOYSA-N 1 2 245.124 2.103 10 0 BEAELO O=C(C[N@@H+]1C[C@H]2CCC[C@@H]21)c1ccccc1F ZINC000639538470 356391023 /nfs/dbraw/zinc/39/10/23/356391023.db2.gz PDYXKHTYVFDEAE-MFKMUULPSA-N 1 2 233.286 2.493 10 0 BEAELO O=C(C[N@H+]1C[C@H]2CCC[C@@H]21)c1ccccc1F ZINC000639538470 356391026 /nfs/dbraw/zinc/39/10/26/356391026.db2.gz PDYXKHTYVFDEAE-MFKMUULPSA-N 1 2 233.286 2.493 10 0 BEAELO O[C@H]1CCC[C@@H](Nc2ccc3ccccc3[nH+]2)C1 ZINC000613537818 363479083 /nfs/dbraw/zinc/47/90/83/363479083.db2.gz JIWFSKGSEFHCIU-OLZOCXBDSA-N 1 2 242.322 2.372 10 0 BEAELO CC[C@H](C)[C@@H]([NH3+])c1n[nH]c(C(C)(C)C)n1 ZINC000675061023 538486572 /nfs/dbraw/zinc/48/65/72/538486572.db2.gz WFHVNYOCBMJLJC-JGVFFNPUSA-N 1 2 210.325 2.148 10 0 BEAELO CCOc1ccc2[nH]c(CC[C@H](C)O)[nH+]c2c1 ZINC000026462141 357135726 /nfs/dbraw/zinc/13/57/26/357135726.db2.gz JRSGGVWMLVQNHE-VIFPVBQESA-N 1 2 234.299 2.275 10 0 BEAELO CCO[C@@H](Nc1cccc[nH+]1)C(F)(F)F ZINC000584607830 358268448 /nfs/dbraw/zinc/26/84/48/358268448.db2.gz JATUZVGSFWCPGS-MRVPVSSYSA-N 1 2 220.194 2.418 10 0 BEAELO CCO[C@H](Nc1cccc[nH+]1)C(F)(F)F ZINC000584607831 358268554 /nfs/dbraw/zinc/26/85/54/358268554.db2.gz JATUZVGSFWCPGS-QMMMGPOBSA-N 1 2 220.194 2.418 10 0 BEAELO Cc1cn(-c2ccc3c(c2)NC(=O)C3(C)C)c[nH+]1 ZINC000584625488 358294213 /nfs/dbraw/zinc/29/42/13/358294213.db2.gz GLQGMSYHQFNKBE-UHFFFAOYSA-N 1 2 241.294 2.410 10 0 BEAELO O=C(N[n+]1ccccc1)C1CCCCCC1 ZINC000584651502 358306329 /nfs/dbraw/zinc/30/63/29/358306329.db2.gz ZNFLSSIEGSOTFP-UHFFFAOYSA-O 1 2 219.308 2.015 10 0 BEAELO Cn1cc[nH+]c1-c1ccc2nsnc2c1 ZINC000584636990 358322274 /nfs/dbraw/zinc/32/22/74/358322274.db2.gz BNXAGHYQJHXOPE-UHFFFAOYSA-N 1 2 216.269 2.092 10 0 BEAELO CN(C)c1[nH+]cccc1CNC(=O)CC(C)(C)C ZINC000043050750 358533496 /nfs/dbraw/zinc/53/34/96/358533496.db2.gz ANNUBQLDCXBLOA-UHFFFAOYSA-N 1 2 249.358 2.200 10 0 BEAELO CC(C)Cn1cc[nH+]c1CNC(=O)C1CC=CC1 ZINC000131091109 358660127 /nfs/dbraw/zinc/66/01/27/358660127.db2.gz IXSITGMTVVNPIJ-UHFFFAOYSA-N 1 2 247.342 2.122 10 0 BEAELO CCC(C)(CC)NC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000132434660 358723017 /nfs/dbraw/zinc/72/30/17/358723017.db2.gz NXHUMKOXFNJULY-NSHDSACASA-N 1 2 249.358 2.140 10 0 BEAELO COc1ncc([C@H]2[NH2+]C[C@H](C)CS2)s1 ZINC000306158102 358953279 /nfs/dbraw/zinc/95/32/79/358953279.db2.gz DECCUPOPWKMGFQ-XPUUQOCRSA-N 1 2 230.358 2.123 10 0 BEAELO [NH3+][C@@H](c1cnns1)c1ccsc1Cl ZINC000306216118 359322314 /nfs/dbraw/zinc/32/23/14/359322314.db2.gz BMLHHPZILIZJFE-ZCFIWIBFSA-N 1 2 231.733 2.301 10 0 BEAELO COc1cc[nH+]cc1-c1ccc(N)cc1OC ZINC000169166873 359621351 /nfs/dbraw/zinc/62/13/51/359621351.db2.gz WTUAQHVROKINJG-UHFFFAOYSA-N 1 2 230.267 2.348 10 0 BEAELO C[C@@H](CO)Nc1[nH+]ccc2ccsc21 ZINC000306387405 359741706 /nfs/dbraw/zinc/74/17/06/359741706.db2.gz NSQIVRWXCSGAPK-ZETCQYMHSA-N 1 2 208.286 2.089 10 0 BEAELO C[C@H]1C[NH2+][C@H](c2c(Cl)cnn2C)SC1 ZINC000306599867 360520815 /nfs/dbraw/zinc/52/08/15/360520815.db2.gz SAJHVSFIIJOAIZ-RCOVLWMOSA-N 1 2 231.752 2.045 10 0 BEAELO NC(=S)c1cc(NC2CCCCC2)cc[nH+]1 ZINC000061811776 181320558 /nfs/dbraw/zinc/32/05/58/181320558.db2.gz SECYBFOOVBVQSM-UHFFFAOYSA-N 1 2 235.356 2.460 10 0 BEAELO NC(=S)c1ccc[nH+]c1NCC1CCCC1 ZINC000037258963 181321586 /nfs/dbraw/zinc/32/15/86/181321586.db2.gz JPMOXSSBGAIVSR-UHFFFAOYSA-N 1 2 235.356 2.318 10 0 BEAELO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C=O)o1 ZINC000161286629 363916674 /nfs/dbraw/zinc/91/66/74/363916674.db2.gz NJEHWFAGZFTVOY-SECBINFHSA-N 1 2 225.313 2.029 10 0 BEAELO C[C@@H]1CSCC[N@H+]1Cc1ccc(C=O)o1 ZINC000161286629 363916678 /nfs/dbraw/zinc/91/66/78/363916678.db2.gz NJEHWFAGZFTVOY-SECBINFHSA-N 1 2 225.313 2.029 10 0 BEAELO CCC[N@@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000134053384 364385752 /nfs/dbraw/zinc/38/57/52/364385752.db2.gz MMVJFHGXGRIPGL-SNVBAGLBSA-N 1 2 226.345 2.235 10 0 BEAELO CCC[N@H+]1CCO[C@@H](c2nc(C)cs2)C1 ZINC000134053384 364385755 /nfs/dbraw/zinc/38/57/55/364385755.db2.gz MMVJFHGXGRIPGL-SNVBAGLBSA-N 1 2 226.345 2.235 10 0 BEAELO CC(C)(C)c1nc([C@@H]([NH3+])C(C)(C)C)n[nH]1 ZINC000675060542 541464023 /nfs/dbraw/zinc/46/40/23/541464023.db2.gz IFRBIZZBMGXKDK-SSDOTTSWSA-N 1 2 210.325 2.148 10 0 BEAELO CCOC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000038764063 368327860 /nfs/dbraw/zinc/32/78/60/368327860.db2.gz XNOSGDSVSOKKGO-UHFFFAOYSA-N 1 2 230.267 2.108 10 0 BEAELO CNc1cc(-c2cc(C)ccc2F)[nH+]c(N)n1 ZINC000223292717 368364855 /nfs/dbraw/zinc/36/48/55/368364855.db2.gz PLHITTKDLSMQBA-UHFFFAOYSA-N 1 2 232.262 2.215 10 0 BEAELO Cc1nc([C@H]([NH3+])c2cncs2)sc1C ZINC000161499762 369121404 /nfs/dbraw/zinc/12/14/04/369121404.db2.gz LXLPAJUOTQBLMY-MRVPVSSYSA-N 1 2 225.342 2.265 10 0 BEAELO CC[C@@H]1CS[C@H](c2nccs2)[NH2+]1 ZINC000161613943 370604385 /nfs/dbraw/zinc/60/43/85/370604385.db2.gz PQLBZDSSTTXUDA-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO [NH3+][C@H](c1ncon1)c1cc(Cl)cc(Cl)c1 ZINC000037425117 181561514 /nfs/dbraw/zinc/56/15/14/181561514.db2.gz CBXVRJVBFPDTOI-QMMMGPOBSA-N 1 2 244.081 2.425 10 0 BEAELO [NH3+][C@@H](c1ncon1)c1cccc(Cl)c1Cl ZINC000036761919 181568369 /nfs/dbraw/zinc/56/83/69/181568369.db2.gz SQYXDCLBJAGRMU-MRVPVSSYSA-N 1 2 244.081 2.425 10 0 BEAELO Nc1ccc(OCc2cccs2)c[nH+]1 ZINC000049584498 181722669 /nfs/dbraw/zinc/72/26/69/181722669.db2.gz GMRQVOUOLKACQQ-UHFFFAOYSA-N 1 2 206.270 2.304 10 0 BEAELO O=C(Cn1cc[nH+]c1)C1CCCCCC1 ZINC000306625944 372046783 /nfs/dbraw/zinc/04/67/83/372046783.db2.gz HKZSJFQRQYAFIW-UHFFFAOYSA-N 1 2 206.289 2.423 10 0 BEAELO O=C(C[N@@H+]1CCc2sccc2C1)C1CC1 ZINC000068895605 373087341 /nfs/dbraw/zinc/08/73/41/373087341.db2.gz JGJBFLWTFHMNEZ-UHFFFAOYSA-N 1 2 221.325 2.085 10 0 BEAELO O=C(C[N@H+]1CCc2sccc2C1)C1CC1 ZINC000068895605 373087347 /nfs/dbraw/zinc/08/73/47/373087347.db2.gz JGJBFLWTFHMNEZ-UHFFFAOYSA-N 1 2 221.325 2.085 10 0 BEAELO OCCC1(CNc2cc[nH+]c(C3CC3)n2)CCC1 ZINC000132632587 183042718 /nfs/dbraw/zinc/04/27/18/183042718.db2.gz KELHTADNYMFCBJ-UHFFFAOYSA-N 1 2 247.342 2.319 10 0 BEAELO OCCCCCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000026462231 183049141 /nfs/dbraw/zinc/04/91/41/183049141.db2.gz UUHFKXHYCRVPEH-UHFFFAOYSA-N 1 2 222.263 2.407 10 0 BEAELO O[C@@H](Nc1cccc[nH+]1)c1ccccc1 ZINC000238697477 183184661 /nfs/dbraw/zinc/18/46/61/183184661.db2.gz SSFJOXFHWQTMIK-GFCCVEGCSA-N 1 2 200.241 2.185 10 0 BEAELO O[C@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000112554872 183232341 /nfs/dbraw/zinc/23/23/41/183232341.db2.gz VHZWUVRBEDKISB-QWRGUYRKSA-N 1 2 233.315 2.069 10 0 BEAELO OC1CCCCC1[NH2+]Cc1cc(F)ccc1F ZINC000051996185 183234349 /nfs/dbraw/zinc/23/43/49/183234349.db2.gz WJIGUVDAMRCUKG-OLZOCXBDSA-N 1 2 241.281 2.358 10 0 BEAELO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1cscn1 ZINC000104435131 183281641 /nfs/dbraw/zinc/28/16/41/183281641.db2.gz UODKHPAIKVPXDH-LLVKDONJSA-N 1 2 248.307 2.072 10 0 BEAELO c1cc(C[NH2+]Cc2cccc3cnccc32)[nH]n1 ZINC000061125462 183352663 /nfs/dbraw/zinc/35/26/63/183352663.db2.gz RKRMMZVWVORFKX-UHFFFAOYSA-N 1 2 238.294 2.248 10 0 BEAELO CCC[NH2+][C@@]1(C(=O)OC)CCCc2ccccc21 ZINC000037513343 169284272 /nfs/dbraw/zinc/28/42/72/169284272.db2.gz FBEULDYCCPRSOZ-HNNXBMFYSA-N 1 2 247.338 2.391 10 0 BEAELO c1ccc(CCNc2cc[nH+]c(C3CC3)n2)nc1 ZINC000110111506 183395361 /nfs/dbraw/zinc/39/53/61/183395361.db2.gz VQWDYHDGULVAGU-UHFFFAOYSA-N 1 2 240.310 2.404 10 0 BEAELO CCCNc1ncccc1C[N@@H+]1CCO[C@@H](C)C1 ZINC000052709897 169297134 /nfs/dbraw/zinc/29/71/34/169297134.db2.gz YAAIUPUSGUPOGF-LBPRGKRZSA-N 1 2 249.358 2.124 10 0 BEAELO CCCNc1ncccc1C[N@H+]1CCO[C@@H](C)C1 ZINC000052709897 169297136 /nfs/dbraw/zinc/29/71/36/169297136.db2.gz YAAIUPUSGUPOGF-LBPRGKRZSA-N 1 2 249.358 2.124 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2cccnc2)o1 ZINC000220879532 134316443 /nfs/dbraw/zinc/31/64/43/134316443.db2.gz MDEMSMSZKJNSMX-JTQLQIEISA-N 1 2 217.272 2.229 10 0 BEAELO CCC[C@@H]([NH3+])c1nc(-c2ccccc2)n[nH]1 ZINC000042013567 169393859 /nfs/dbraw/zinc/39/38/59/169393859.db2.gz FMBPUUFUEDXSOI-SNVBAGLBSA-N 1 2 216.288 2.272 10 0 BEAELO c1nc([C@H]2CCCC[N@H+]2C2CCCC2)n[nH]1 ZINC000182699006 134346939 /nfs/dbraw/zinc/34/69/39/134346939.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 1 2 220.320 2.274 10 0 BEAELO c1nc([C@H]2CCCC[N@@H+]2C2CCCC2)n[nH]1 ZINC000182699006 134346940 /nfs/dbraw/zinc/34/69/40/134346940.db2.gz BXBIMPWQTIXRKE-LLVKDONJSA-N 1 2 220.320 2.274 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H]1CCO[C@H](C)C1 ZINC000069891313 383852699 /nfs/dbraw/zinc/85/26/99/383852699.db2.gz HPJVWBYQYATATQ-GHMZBOCLSA-N 1 2 206.289 2.369 10 0 BEAELO O[C@]12CCCC[C@H]1CN(c1cccc[nH+]1)CC2 ZINC000220368049 383933363 /nfs/dbraw/zinc/93/33/63/383933363.db2.gz GEZYFZZSJHDVBT-JSGCOSHPSA-N 1 2 232.327 2.213 10 0 BEAELO CC/C(=C\c1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000089201074 383944164 /nfs/dbraw/zinc/94/41/64/383944164.db2.gz RRGQUDMHXJAMDM-VQHVLOKHSA-N 1 2 217.228 2.362 10 0 BEAELO O=C(Nc1cc2[nH]ccc2c[nH+]1)c1ccccc1 ZINC000089220858 383950265 /nfs/dbraw/zinc/95/02/65/383950265.db2.gz CTUYNWBMAJIJHS-UHFFFAOYSA-N 1 2 237.262 2.237 10 0 BEAELO Nc1cn[nH+]c(-c2ccc(Cl)cc2)c1 ZINC000091366486 384122859 /nfs/dbraw/zinc/12/28/59/384122859.db2.gz XRFPXYCBFFSBOQ-UHFFFAOYSA-N 1 2 205.648 2.379 10 0 BEAELO CC(C)n1cc[nH+]c1C[S@](=O)CC1CC1 ZINC000133727226 384309580 /nfs/dbraw/zinc/30/95/80/384309580.db2.gz NQNYGCBTPFGOQB-HNNXBMFYSA-N 1 2 226.345 2.123 10 0 BEAELO c1ccc(NC[C@@H]2CC23CCOCC3)[nH+]c1 ZINC000336475885 384476908 /nfs/dbraw/zinc/47/69/08/384476908.db2.gz KZLWRFURURUNDW-NSHDSACASA-N 1 2 218.300 2.310 10 0 BEAELO COC(=O)[C@H]1CC[C@H](c2ccc(C)cc2)C[NH2+]1 ZINC000079026372 384480383 /nfs/dbraw/zinc/48/03/83/384480383.db2.gz YRQYNUYPGNPAHW-QWHCGFSZSA-N 1 2 233.311 2.004 10 0 BEAELO CC(=O)NC1CCC(Nc2c[nH+]ccc2C)CC1 ZINC000161693430 384517652 /nfs/dbraw/zinc/51/76/52/384517652.db2.gz WUGBTIVLMHLOAS-UHFFFAOYSA-N 1 2 247.342 2.249 10 0 BEAELO Cc1cnc([C@@H](C)NCc2[nH+]ccn2C)s1 ZINC000125187009 384702714 /nfs/dbraw/zinc/70/27/14/384702714.db2.gz NFNVFYLQNYEHFR-SECBINFHSA-N 1 2 236.344 2.036 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2nccn2C)s1 ZINC000125187009 384702720 /nfs/dbraw/zinc/70/27/20/384702720.db2.gz NFNVFYLQNYEHFR-SECBINFHSA-N 1 2 236.344 2.036 10 0 BEAELO c1cc(N2CCOC3(CCC3)C2)nc(C2CC2)[nH+]1 ZINC000125463329 384717755 /nfs/dbraw/zinc/71/77/55/384717755.db2.gz MVHWOINMROKPFY-UHFFFAOYSA-N 1 2 245.326 2.113 10 0 BEAELO c1cn(C[C@H]2CCCc3ncccc32)c[nH+]1 ZINC000013808184 384874405 /nfs/dbraw/zinc/87/44/05/384874405.db2.gz JFGSPJCAHNGXLH-LLVKDONJSA-N 1 2 213.284 2.398 10 0 BEAELO Cc1ncc(C[NH+]2[C@H](C)COC[C@H]2C)s1 ZINC000077370522 384880523 /nfs/dbraw/zinc/88/05/23/384880523.db2.gz GWYMAQHENXDJBQ-RKDXNWHRSA-N 1 2 226.345 2.061 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)[C@H](C)C(C)C ZINC000177296151 384946905 /nfs/dbraw/zinc/94/69/05/384946905.db2.gz NDRAOQJHIPGCDA-MEBBXXQBSA-N 1 2 228.361 2.196 10 0 BEAELO CCC(CC)[S@](=O)Cc1[nH+]ccn1CC ZINC000177295347 384947196 /nfs/dbraw/zinc/94/71/96/384947196.db2.gz QSNSJALPRYVSOJ-OAHLLOKOSA-N 1 2 228.361 2.340 10 0 BEAELO Cc1ccc(NC(=O)N[C@@H]2C[C@@H]2C)c(C)[nH+]1 ZINC000176761096 385146245 /nfs/dbraw/zinc/14/62/45/385146245.db2.gz JHOZNUVJNARALK-WRWORJQWSA-N 1 2 219.288 2.228 10 0 BEAELO c1cc(N2CCCCC2)nc(C2CC2)[nH+]1 ZINC000110110636 385212935 /nfs/dbraw/zinc/21/29/35/385212935.db2.gz DQINEMYRJRXPNJ-UHFFFAOYSA-N 1 2 203.289 2.344 10 0 BEAELO C[C@H]1CN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000110540990 385246592 /nfs/dbraw/zinc/24/65/92/385246592.db2.gz FQARUFKOQXOGKO-VIFPVBQESA-N 1 2 235.356 2.296 10 0 BEAELO CCCC[N@@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171139103 385470373 /nfs/dbraw/zinc/47/03/73/385470373.db2.gz WUYZSBFUECGHEM-SNVBAGLBSA-N 1 2 226.345 2.317 10 0 BEAELO CCCC[N@H+]1CCO[C@@H](c2nccs2)C1 ZINC000171139103 385470374 /nfs/dbraw/zinc/47/03/74/385470374.db2.gz WUYZSBFUECGHEM-SNVBAGLBSA-N 1 2 226.345 2.317 10 0 BEAELO Cc1nc(C[N@@H+]2CCS[C@@H](C)C2)oc1C ZINC000171687699 385507195 /nfs/dbraw/zinc/50/71/95/385507195.db2.gz MWNQXVJTKLHWPO-QMMMGPOBSA-N 1 2 226.345 2.229 10 0 BEAELO Cc1nc(C[N@H+]2CCS[C@@H](C)C2)oc1C ZINC000171687699 385507198 /nfs/dbraw/zinc/50/71/98/385507198.db2.gz MWNQXVJTKLHWPO-QMMMGPOBSA-N 1 2 226.345 2.229 10 0 BEAELO CC(C)CC[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197873 385608023 /nfs/dbraw/zinc/60/80/23/385608023.db2.gz KGHPLOGGUZRMIJ-JTQLQIEISA-N 1 2 238.335 2.083 10 0 BEAELO CC(C)CC[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197873 385608026 /nfs/dbraw/zinc/60/80/26/385608026.db2.gz KGHPLOGGUZRMIJ-JTQLQIEISA-N 1 2 238.335 2.083 10 0 BEAELO c1nnc([C@@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)[nH]1 ZINC000182694622 385694084 /nfs/dbraw/zinc/69/40/84/385694084.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 1 2 232.331 2.440 10 0 BEAELO c1nnc([C@@H]2CCCC[N@H+]2[C@H]2C=CCCC2)[nH]1 ZINC000182694622 385694091 /nfs/dbraw/zinc/69/40/91/385694091.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)n[nH]1 ZINC000182694622 385694098 /nfs/dbraw/zinc/69/40/98/385694098.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@@H]2CCCC[N@H+]2[C@H]2C=CCCC2)n[nH]1 ZINC000182694622 385694102 /nfs/dbraw/zinc/69/41/02/385694102.db2.gz RTPJCMUFWGKKPA-RYUDHWBXSA-N 1 2 232.331 2.440 10 0 BEAELO Nc1cc(Cl)[nH+]c(NCCCF)c1 ZINC000307349571 386109806 /nfs/dbraw/zinc/10/98/06/386109806.db2.gz SEXPIKMQVPQNHT-UHFFFAOYSA-N 1 2 203.648 2.089 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H]1COC(C)(C)C1 ZINC000335359541 386203058 /nfs/dbraw/zinc/20/30/58/386203058.db2.gz RRYKNCFCYJTADK-JTQLQIEISA-N 1 2 206.289 2.369 10 0 BEAELO CC(C)n1cc[nH+]c1CS[C@@H](C)[C@@H](C)O ZINC000266243415 386417780 /nfs/dbraw/zinc/41/77/80/386417780.db2.gz MUEKPJMPOXFYTK-ZJUUUORDSA-N 1 2 228.361 2.467 10 0 BEAELO CC(C)n1cc[nH+]c1CSC[C@@H](C)CO ZINC000266857739 386475173 /nfs/dbraw/zinc/47/51/73/386475173.db2.gz VHDPKGKDOCUDBW-JTQLQIEISA-N 1 2 228.361 2.326 10 0 BEAELO C1CC1[N@@H+]1CCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000329572846 386710848 /nfs/dbraw/zinc/71/08/48/386710848.db2.gz JGUFPMHJUJPZSZ-QWRGUYRKSA-N 1 2 249.314 2.220 10 0 BEAELO C1CC1[N@H+]1CCC[C@H]1c1nc([C@@H]2CCCO2)no1 ZINC000329572846 386710854 /nfs/dbraw/zinc/71/08/54/386710854.db2.gz JGUFPMHJUJPZSZ-QWRGUYRKSA-N 1 2 249.314 2.220 10 0 BEAELO CCCn1cc(C[NH2+]Cc2nccs2)cn1 ZINC000116914344 386997807 /nfs/dbraw/zinc/99/78/07/386997807.db2.gz ZIEFBYGOEMZKCC-UHFFFAOYSA-N 1 2 236.344 2.039 10 0 BEAELO O=C1OCC[C@H]1[N@H+]1CC=C(c2cccs2)CC1 ZINC000117894462 387031302 /nfs/dbraw/zinc/03/13/02/387031302.db2.gz KSRYMTZONDYDPI-LLVKDONJSA-N 1 2 249.335 2.153 10 0 BEAELO O=C1OCC[C@H]1[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117894462 387031307 /nfs/dbraw/zinc/03/13/07/387031307.db2.gz KSRYMTZONDYDPI-LLVKDONJSA-N 1 2 249.335 2.153 10 0 BEAELO CN(C[C@H]1CCCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000110260358 387060769 /nfs/dbraw/zinc/06/07/69/387060769.db2.gz APMCVIJBOJCRIN-GFCCVEGCSA-N 1 2 247.342 2.359 10 0 BEAELO Cc1ccc(C[N@@H+]2Cc3ccoc3C[C@@H]2CO)o1 ZINC000575407912 387009191 /nfs/dbraw/zinc/00/91/91/387009191.db2.gz PHFPJLMJMWWSKI-GFCCVEGCSA-N 1 2 247.294 2.100 10 0 BEAELO Cc1ccc(C[N@H+]2Cc3ccoc3C[C@@H]2CO)o1 ZINC000575407912 387009197 /nfs/dbraw/zinc/00/91/97/387009197.db2.gz PHFPJLMJMWWSKI-GFCCVEGCSA-N 1 2 247.294 2.100 10 0 BEAELO Brc1scnc1C[NH2+]C1CC1 ZINC000575482204 387184068 /nfs/dbraw/zinc/18/40/68/387184068.db2.gz FDWUVJYZDWNZTF-UHFFFAOYSA-N 1 2 233.134 2.158 10 0 BEAELO CCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121742789 387402872 /nfs/dbraw/zinc/40/28/72/387402872.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121742789 387402877 /nfs/dbraw/zinc/40/28/77/387402877.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121742789 387402880 /nfs/dbraw/zinc/40/28/80/387402880.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 1 2 208.309 2.132 10 0 BEAELO CCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121742789 387402884 /nfs/dbraw/zinc/40/28/84/387402884.db2.gz XZMSPCJZMGZYDC-JTQLQIEISA-N 1 2 208.309 2.132 10 0 BEAELO Cc1c[nH+]cc(NCc2nc(C)ccc2O)c1 ZINC000119635827 387554784 /nfs/dbraw/zinc/55/47/84/387554784.db2.gz XRPVRSRHNLROJN-UHFFFAOYSA-N 1 2 229.283 2.411 10 0 BEAELO C[C@H]1CS[C@@H](c2ccncc2Cl)[NH2+]1 ZINC000575557456 387698489 /nfs/dbraw/zinc/69/84/89/387698489.db2.gz UOQOFEGMZFVVKM-RCOVLWMOSA-N 1 2 214.721 2.459 10 0 BEAELO CC(C)=CC[N@@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521532 387921301 /nfs/dbraw/zinc/92/13/01/387921301.db2.gz ZHZZCAMGQICVGY-NSHDSACASA-N 1 2 238.356 2.483 10 0 BEAELO CC(C)=CC[N@H+]1CCO[C@H](c2nccs2)C1 ZINC000195521532 387921304 /nfs/dbraw/zinc/92/13/04/387921304.db2.gz ZHZZCAMGQICVGY-NSHDSACASA-N 1 2 238.356 2.483 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCOC1 ZINC000162945971 388254955 /nfs/dbraw/zinc/25/49/55/388254955.db2.gz VMXLNZHIMYDRKN-WDEREUQCSA-N 1 2 206.289 2.227 10 0 BEAELO Fc1c[nH+]ccc1NCC=C(Cl)Cl ZINC000575521192 388356901 /nfs/dbraw/zinc/35/69/01/388356901.db2.gz YDJQQFNLBPJTAU-UHFFFAOYSA-N 1 2 221.062 2.374 10 0 BEAELO CCn1cc[nH+]c1CS[C@H]1CCO[C@H]1C ZINC000163362331 388360539 /nfs/dbraw/zinc/36/05/39/388360539.db2.gz LCLGFOMACGDBHN-UWVGGRQHSA-N 1 2 226.345 2.314 10 0 BEAELO CCn1cc[nH+]c1CS[C@H]1CCO[C@@H]1C ZINC000163362108 388360546 /nfs/dbraw/zinc/36/05/46/388360546.db2.gz LCLGFOMACGDBHN-ZJUUUORDSA-N 1 2 226.345 2.314 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1C ZINC000296279420 388420925 /nfs/dbraw/zinc/42/09/25/388420925.db2.gz KVOKGNGEFWCLDR-NSHDSACASA-N 1 2 230.315 2.272 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2cn[nH]n2)cc1C ZINC000296279420 388420927 /nfs/dbraw/zinc/42/09/27/388420927.db2.gz KVOKGNGEFWCLDR-NSHDSACASA-N 1 2 230.315 2.272 10 0 BEAELO CC(C)C1([NH2+][C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000339519869 388485359 /nfs/dbraw/zinc/48/53/59/388485359.db2.gz VBLJHSSCSSUOEY-SNVBAGLBSA-N 1 2 227.348 2.495 10 0 BEAELO CC[C@@H](NC(=O)C1CC(C)C1)c1[nH]cc[nH+]1 ZINC000548077855 388508353 /nfs/dbraw/zinc/50/83/53/388508353.db2.gz GZUKXKRHRKKXPC-UDNWOFFPSA-N 1 2 221.304 2.023 10 0 BEAELO CN(C(=O)OC(C)(C)C)c1cc[nH+]c(N)c1 ZINC000230505856 388637619 /nfs/dbraw/zinc/63/76/19/388637619.db2.gz MHPRTYRPHIWORU-UHFFFAOYSA-N 1 2 223.276 2.035 10 0 BEAELO Fc1ncnc2c1C[N@H+](Cc1ccccc1)CC2 ZINC000575461838 388820953 /nfs/dbraw/zinc/82/09/53/388820953.db2.gz XGKCOPJXWGIVLH-UHFFFAOYSA-N 1 2 243.285 2.174 10 0 BEAELO Fc1ncnc2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000575461838 388820954 /nfs/dbraw/zinc/82/09/54/388820954.db2.gz XGKCOPJXWGIVLH-UHFFFAOYSA-N 1 2 243.285 2.174 10 0 BEAELO Cc1cc([NH3+])ccc1N1C[C@H](C)OC[C@@H]1C ZINC000035783747 132339671 /nfs/dbraw/zinc/33/96/71/132339671.db2.gz YAZNNCQRIDUXCC-QWRGUYRKSA-N 1 2 220.316 2.191 10 0 BEAELO C[C@@H]1CN(c2ccc([NH+](C)C)cc2)CCC1=O ZINC000049693760 132356566 /nfs/dbraw/zinc/35/65/66/132356566.db2.gz DPLYQLOVYBJMPL-LLVKDONJSA-N 1 2 232.327 2.168 10 0 BEAELO Cc1cc(C[NH2+][C@H](C)c2cncc(F)c2)no1 ZINC000222683112 134333571 /nfs/dbraw/zinc/33/35/71/134333571.db2.gz GGJGCSKUFSYVOJ-SECBINFHSA-N 1 2 235.262 2.368 10 0 BEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1ccoc1 ZINC000181257074 134334434 /nfs/dbraw/zinc/33/44/34/134334434.db2.gz NWJNSSWQGWGYKT-SKDRFNHKSA-N 1 2 246.314 2.365 10 0 BEAELO Nc1cccc2c1CCC[N@@H+]2CC[C@H]1CCOC1 ZINC000261897169 135261285 /nfs/dbraw/zinc/26/12/85/135261285.db2.gz VEIVJZUGWLRFSR-LBPRGKRZSA-N 1 2 246.354 2.448 10 0 BEAELO Nc1cccc2c1CCC[N@H+]2CC[C@H]1CCOC1 ZINC000261897169 135261286 /nfs/dbraw/zinc/26/12/86/135261286.db2.gz VEIVJZUGWLRFSR-LBPRGKRZSA-N 1 2 246.354 2.448 10 0 BEAELO CC[C@H]1CC[C@H](c2nc(C[NH2+]C)no2)CC1 ZINC000262116504 135280009 /nfs/dbraw/zinc/28/00/09/135280009.db2.gz BNXKKISAYVBIBY-MGCOHNPYSA-N 1 2 223.320 2.473 10 0 BEAELO CC(C)[C@H](C)CNC(=O)[C@@H]1CCCn2cc[nH+]c21 ZINC000081803052 135389277 /nfs/dbraw/zinc/38/92/77/135389277.db2.gz GCJOJEPGQFATGN-VXGBXAGGSA-N 1 2 249.358 2.169 10 0 BEAELO CC(C)[C@H](C)CNC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000081803056 135389800 /nfs/dbraw/zinc/38/98/00/135389800.db2.gz GCJOJEPGQFATGN-NEPJUHHUSA-N 1 2 249.358 2.169 10 0 BEAELO CO[C@@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301777321 397791906 /nfs/dbraw/zinc/79/19/06/397791906.db2.gz LUKYABURMBEMIP-GHMZBOCLSA-N 1 2 206.289 2.451 10 0 BEAELO CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000179273969 397852394 /nfs/dbraw/zinc/85/23/94/397852394.db2.gz LJPDAQDTFMAPKT-PRHODGIISA-N 1 2 236.315 2.044 10 0 BEAELO Brc1ccoc1CNc1c[nH]c[nH+]1 ZINC000306662499 398016760 /nfs/dbraw/zinc/01/67/60/398016760.db2.gz PSISSSRCTKSRNK-UHFFFAOYSA-N 1 2 242.076 2.377 10 0 BEAELO O=Cc1cc(-n2cc[nH+]c2)nc2ccccc12 ZINC000197448626 397989109 /nfs/dbraw/zinc/98/91/09/397989109.db2.gz DJZMDHATIHIYHL-UHFFFAOYSA-N 1 2 223.235 2.233 10 0 BEAELO CC(C)[NH2+][C@H](c1ccco1)c1nccn1C ZINC000037186246 167140723 /nfs/dbraw/zinc/14/07/23/167140723.db2.gz DQJFARSAYPGNAN-LLVKDONJSA-N 1 2 219.288 2.101 10 0 BEAELO CC(C)Nc1[nH+]cnc(Nc2ccccn2)c1N ZINC000040708149 167151695 /nfs/dbraw/zinc/15/16/95/167151695.db2.gz ILAWFIOPDSUPFG-UHFFFAOYSA-N 1 2 244.302 2.018 10 0 BEAELO CC(C)OC(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000049826129 167159316 /nfs/dbraw/zinc/15/93/16/167159316.db2.gz QRAMKBNUBSGVAN-UHFFFAOYSA-N 1 2 239.290 2.209 10 0 BEAELO CC(C)OC(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000049826129 167159320 /nfs/dbraw/zinc/15/93/20/167159320.db2.gz QRAMKBNUBSGVAN-UHFFFAOYSA-N 1 2 239.290 2.209 10 0 BEAELO CC(C)Oc1ccc([NH2+]C[C@@H](C)C(N)=O)cc1 ZINC000037227433 167296943 /nfs/dbraw/zinc/29/69/43/167296943.db2.gz GSCRWVGVUZIEQY-SNVBAGLBSA-N 1 2 236.315 2.007 10 0 BEAELO CC(C)[C@@H](C)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061812428 167388296 /nfs/dbraw/zinc/38/82/96/167388296.db2.gz AAZLLZXDVPYBDV-MRVPVSSYSA-N 1 2 223.345 2.172 10 0 BEAELO CCC(=O)N[C@@H](Cc1[nH]cc[nH+]1)c1ccccc1 ZINC000012550100 168236566 /nfs/dbraw/zinc/23/65/66/168236566.db2.gz ZHEQJZSZZIHXBX-LBPRGKRZSA-N 1 2 243.310 2.220 10 0 BEAELO CC[NH2+][C@H](c1nnc(C)o1)c1ccccc1 ZINC000050618088 170148675 /nfs/dbraw/zinc/14/86/75/170148675.db2.gz LUTUGJVPRMOPRA-NSHDSACASA-N 1 2 217.272 2.077 10 0 BEAELO CC[NH2+][C@@H](c1cccc(F)c1)c1ncccn1 ZINC000037536330 170148692 /nfs/dbraw/zinc/14/86/92/170148692.db2.gz WWJRKVHDYVRHQH-LBPRGKRZSA-N 1 2 231.274 2.315 10 0 BEAELO CC[NH2+][C@@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000037446689 170155275 /nfs/dbraw/zinc/15/52/75/170155275.db2.gz RGIYHBOPNMSLFC-CQSZACIVSA-N 1 2 235.327 2.301 10 0 BEAELO CC[NH2+][C@](C)(C(=O)OC)c1cc(C)ccc1C ZINC000037446688 170170291 /nfs/dbraw/zinc/17/02/91/170170291.db2.gz RGIYHBOPNMSLFC-AWEZNQCLSA-N 1 2 235.327 2.301 10 0 BEAELO CC[NH2+][C@](C)(C(=O)OC)c1ccc(C)cc1C ZINC000037446682 170170802 /nfs/dbraw/zinc/17/08/02/170170802.db2.gz BKPNIPJKVUDJRB-AWEZNQCLSA-N 1 2 235.327 2.301 10 0 BEAELO CCNc1nc([C@@H]2CCOC2)[nH+]c(C)c1CC ZINC000051691593 170176781 /nfs/dbraw/zinc/17/67/81/170176781.db2.gz LSXWRTDWAGXGPJ-SNVBAGLBSA-N 1 2 235.331 2.283 10 0 BEAELO CCNc1nc[nH+]c(Nc2ccc(F)cc2)c1N ZINC000040707385 170178458 /nfs/dbraw/zinc/17/84/58/170178458.db2.gz RWMDVLOADKTARV-UHFFFAOYSA-N 1 2 247.277 2.373 10 0 BEAELO CCOC(=O)C[NH2+][C@H](CC)c1cccs1 ZINC000037472528 170226783 /nfs/dbraw/zinc/22/67/83/170226783.db2.gz STSCRUHPXADQSJ-SECBINFHSA-N 1 2 227.329 2.352 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000049808681 170254748 /nfs/dbraw/zinc/25/47/48/170254748.db2.gz SAEQJTISUUDSCS-VIFPVBQESA-N 1 2 231.654 2.042 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1c(F)cccc1Cl ZINC000033734782 170274883 /nfs/dbraw/zinc/27/48/83/170274883.db2.gz UODQUDLEPFWQSA-SECBINFHSA-N 1 2 231.654 2.042 10 0 BEAELO CCOC(=O)c1ccc(-n2cc[nH+]c2CC)nc1 ZINC000104289605 170294817 /nfs/dbraw/zinc/29/48/17/170294817.db2.gz ACHIJNFOWBQXFH-UHFFFAOYSA-N 1 2 245.282 2.006 10 0 BEAELO COC(=O)[C@H](C)c1cc(N)[nH+]c2ccccc21 ZINC000606303164 411849831 /nfs/dbraw/zinc/84/98/31/411849831.db2.gz PFYIHEDILXCMMA-MRVPVSSYSA-N 1 2 230.267 2.094 10 0 BEAELO CC(=O)N1CCCCC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616623106 411854552 /nfs/dbraw/zinc/85/45/52/411854552.db2.gz BUZHKNHBOHRDEA-GFCCVEGCSA-N 1 2 233.315 2.127 10 0 BEAELO CC[C@@H]1CC[N@@H+]1Cc1cc(Br)no1 ZINC000292388383 171024716 /nfs/dbraw/zinc/02/47/16/171024716.db2.gz KESXWAIJOJOVGK-SSDOTTSWSA-N 1 2 245.120 2.421 10 0 BEAELO CC[C@@H]1CC[N@H+]1Cc1cc(Br)no1 ZINC000292388383 171024717 /nfs/dbraw/zinc/02/47/17/171024717.db2.gz KESXWAIJOJOVGK-SSDOTTSWSA-N 1 2 245.120 2.421 10 0 BEAELO CC[C@@H]1c2cccn2CC[N@H+]1Cc1cnn(C)c1 ZINC000072367978 171162440 /nfs/dbraw/zinc/16/24/40/171162440.db2.gz RRKIUCJYMCALNS-CYBMUJFWSA-N 1 2 244.342 2.189 10 0 BEAELO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1cnn(C)c1 ZINC000072367978 171162443 /nfs/dbraw/zinc/16/24/43/171162443.db2.gz RRKIUCJYMCALNS-CYBMUJFWSA-N 1 2 244.342 2.189 10 0 BEAELO CC[C@@H]1c2cccn2CCN1Cc1[nH]cc[nH+]1 ZINC000065403294 171162492 /nfs/dbraw/zinc/16/24/92/171162492.db2.gz HJSDORWIRXVNJD-LLVKDONJSA-N 1 2 230.315 2.178 10 0 BEAELO CC[C@H](C(N)=O)n1c[nH+]c2cc(C)c(C)cc21 ZINC000061679536 171246492 /nfs/dbraw/zinc/24/64/92/171246492.db2.gz XYDOPUVOKVBLOS-LLVKDONJSA-N 1 2 231.299 2.090 10 0 BEAELO CC[C@H](C)[NH2+]c1ccc(-n2cncn2)cc1 ZINC000037769081 171349949 /nfs/dbraw/zinc/34/99/49/171349949.db2.gz VPWLQVMGHVXGAJ-JTQLQIEISA-N 1 2 216.288 2.478 10 0 BEAELO CCc1nc([C@@H]([NH3+])c2sccc2C)no1 ZINC000041674661 172003736 /nfs/dbraw/zinc/00/37/36/172003736.db2.gz VBOFFZOJXGRWBJ-QMMMGPOBSA-N 1 2 223.301 2.050 10 0 BEAELO CCc1nc([C@H]([NH3+])c2ccccc2Cl)no1 ZINC000036763096 172007288 /nfs/dbraw/zinc/00/72/88/172007288.db2.gz HPDDQFASKVEEDL-SNVBAGLBSA-N 1 2 237.690 2.334 10 0 BEAELO CCn1cc(CSc2ccc(N)[nH+]c2)cn1 ZINC000050540104 172176732 /nfs/dbraw/zinc/17/67/32/172176732.db2.gz IVWHCSUPTQWURM-UHFFFAOYSA-N 1 2 234.328 2.173 10 0 BEAELO CCn1nccc1C[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000120327841 172265646 /nfs/dbraw/zinc/26/56/46/172265646.db2.gz NIGLPWNAPSCJRQ-KBPBESRZSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1nccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000120327841 172265649 /nfs/dbraw/zinc/26/56/49/172265649.db2.gz NIGLPWNAPSCJRQ-KBPBESRZSA-N 1 2 249.358 2.046 10 0 BEAELO C[NH+](C)c1ccc(NC[C@H]2CCCO2)cc1 ZINC000035164365 172557265 /nfs/dbraw/zinc/55/72/65/172557265.db2.gz PDJBYOMQLSCWFV-CYBMUJFWSA-N 1 2 220.316 2.344 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@H]1CCCC[C@@H]1C ZINC000061171911 173319692 /nfs/dbraw/zinc/31/96/92/173319692.db2.gz BQKAJEVCHCXMHG-UWVGGRQHSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]CC(=O)OCc1cc(C(C)C)ccc1C ZINC000077371363 173334961 /nfs/dbraw/zinc/33/49/61/173334961.db2.gz UNFINBICVKHHFP-UHFFFAOYSA-N 1 2 235.327 2.381 10 0 BEAELO CNc1cc[nH+]c(OC(C)C)c1OC1CC1 ZINC000095730667 173484477 /nfs/dbraw/zinc/48/44/77/173484477.db2.gz JXSBBNGAJQBHHM-UHFFFAOYSA-N 1 2 222.288 2.452 10 0 BEAELO COc1cc([NH2+]CC[C@@H]2CCCO2)ccc1N ZINC000104248012 175002477 /nfs/dbraw/zinc/00/24/77/175002477.db2.gz SNUPHDFGAWPWQE-NSHDSACASA-N 1 2 236.315 2.258 10 0 BEAELO COc1ccc(C)cc1C(=O)Cc1[nH]cc[nH+]1 ZINC000052943413 175073134 /nfs/dbraw/zinc/07/31/34/175073134.db2.gz VOHSPYDTRQLGOA-UHFFFAOYSA-N 1 2 230.267 2.152 10 0 BEAELO COc1ccc(NCc2c[nH+]c(C)[nH]2)cc1 ZINC000054798147 175151627 /nfs/dbraw/zinc/15/16/27/175151627.db2.gz VUHFFIGPIGLXKI-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc(NCc2c[nH]c(C)[nH+]2)cc1 ZINC000054798147 175151629 /nfs/dbraw/zinc/15/16/29/175151629.db2.gz VUHFFIGPIGLXKI-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc([NH2+][C@H](C)CCCO)cc1 ZINC000058826880 175154901 /nfs/dbraw/zinc/15/49/01/175154901.db2.gz RRASNKGCZNQMFK-SNVBAGLBSA-N 1 2 209.289 2.268 10 0 BEAELO COc1ccccc1C(=O)C[NH+]1CCCCC1 ZINC000034981339 175316565 /nfs/dbraw/zinc/31/65/65/175316565.db2.gz NGGNZBIUGFMJLQ-UHFFFAOYSA-N 1 2 233.311 2.364 10 0 BEAELO COc1ccccc1[C@H](C)[NH2+]Cc1ncc[nH]1 ZINC000049714623 175352328 /nfs/dbraw/zinc/35/23/28/175352328.db2.gz IYMRFAIBULXWFI-JTQLQIEISA-N 1 2 231.299 2.269 10 0 BEAELO C[C@@H](c1c[nH]c[nH+]1)c1ccccc1C=O ZINC000221591418 176035617 /nfs/dbraw/zinc/03/56/17/176035617.db2.gz WRFDNTNQHCBPMN-SECBINFHSA-N 1 2 200.241 2.374 10 0 BEAELO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442823 176302785 /nfs/dbraw/zinc/30/27/85/176302785.db2.gz MHVLPKSPZHAXMD-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2N)CCO1 ZINC000050442823 176302787 /nfs/dbraw/zinc/30/27/87/176302787.db2.gz MHVLPKSPZHAXMD-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1CCC[C@H]1c1nc(Cc2c[nH+]cn2C)no1 ZINC000329598277 177143629 /nfs/dbraw/zinc/14/36/29/177143629.db2.gz JHUZQHVNMXAFMH-GXSJLCMTSA-N 1 2 246.314 2.298 10 0 BEAELO C[C@H]1C[N@H+](Cc2ccccc2)CC(=O)[C@@H]1C ZINC000068592832 177264669 /nfs/dbraw/zinc/26/46/69/177264669.db2.gz XAROUNQNJBQCKU-NWDGAFQWSA-N 1 2 217.312 2.344 10 0 BEAELO C[C@H]1C[N@@H+](Cc2ccccc2)CC(=O)[C@@H]1C ZINC000068592832 177264671 /nfs/dbraw/zinc/26/46/71/177264671.db2.gz XAROUNQNJBQCKU-NWDGAFQWSA-N 1 2 217.312 2.344 10 0 BEAELO C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000035773473 177292012 /nfs/dbraw/zinc/29/20/12/177292012.db2.gz MNXXIRKDCVILTH-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COCC[N@H+]1Cc1ccc(Cl)c(N)c1 ZINC000035773473 177292014 /nfs/dbraw/zinc/29/20/14/177292014.db2.gz MNXXIRKDCVILTH-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000035773470 177292177 /nfs/dbraw/zinc/29/21/77/177292177.db2.gz NSDSMZNXKHVHQN-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COCC[N@H+]1Cc1cc(N)ccc1Cl ZINC000035773470 177292179 /nfs/dbraw/zinc/29/21/79/177292179.db2.gz NSDSMZNXKHVHQN-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COC[C@H](C)[NH+]1Cc1ccccc1F ZINC000120787893 177300077 /nfs/dbraw/zinc/30/00/77/177300077.db2.gz CWYXYNPXYBMQKA-QWRGUYRKSA-N 1 2 223.291 2.435 10 0 BEAELO CCn1cc[nH+]c1C[S@](=O)c1cccs1 ZINC000119791444 323937141 /nfs/dbraw/zinc/93/71/41/323937141.db2.gz RGJLJKAHBZYHDT-OAHLLOKOSA-N 1 2 240.353 2.272 10 0 BEAELO Cc1c[nH+]cc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667912384 488154337 /nfs/dbraw/zinc/15/43/37/488154337.db2.gz HDTOJHBGWLIBOU-OLZOCXBDSA-N 1 2 218.300 2.369 10 0 BEAELO CCCCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC000220588100 490618740 /nfs/dbraw/zinc/61/87/40/490618740.db2.gz YYEUHHPFMYPLFZ-NSHDSACASA-N 1 2 249.358 2.129 10 0 BEAELO CCCCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC000220588100 490618747 /nfs/dbraw/zinc/61/87/47/490618747.db2.gz YYEUHHPFMYPLFZ-NSHDSACASA-N 1 2 249.358 2.129 10 0 BEAELO COC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000026438739 523388906 /nfs/dbraw/zinc/38/89/06/523388906.db2.gz SNRPCTWPCCVUSY-UHFFFAOYSA-N 1 2 232.283 2.333 10 0 BEAELO COC(=O)[C@@](C)(c1cccc(Cl)c1)[NH+](C)C ZINC000095532543 523820175 /nfs/dbraw/zinc/82/01/75/523820175.db2.gz SZZRXQOWNBWHHH-GFCCVEGCSA-N 1 2 241.718 2.290 10 0 BEAELO [NH3+][C@@H](c1noc(C(F)F)n1)c1ccc(F)cc1 ZINC000095532887 527340162 /nfs/dbraw/zinc/34/01/62/527340162.db2.gz UTJHWNJNVQBCTI-SSDOTTSWSA-N 1 2 243.188 2.194 10 0 BEAELO CC(C)C[N@@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186059531 535105156 /nfs/dbraw/zinc/10/51/56/535105156.db2.gz RELFYVWPZWPHJW-UHFFFAOYSA-N 1 2 238.356 2.053 10 0 BEAELO CC(C)C[N@H+]1CCN(c2cccs2)C(=O)C1 ZINC000186059531 535105158 /nfs/dbraw/zinc/10/51/58/535105158.db2.gz RELFYVWPZWPHJW-UHFFFAOYSA-N 1 2 238.356 2.053 10 0 BEAELO CC[C@@H]1COCCN1c1ccc([NH3+])cc1C ZINC000036322868 535837345 /nfs/dbraw/zinc/83/73/45/535837345.db2.gz GFUXYQSKFHIVTC-GFCCVEGCSA-N 1 2 220.316 2.192 10 0 BEAELO Cc1cn(-c2ccc(C=O)cc2C)c[nH+]1 ZINC000147662772 582607796 /nfs/dbraw/zinc/60/77/96/582607796.db2.gz OGQRUOPMBAYGCA-UHFFFAOYSA-N 1 2 200.241 2.302 10 0 BEAELO CCC1(C)CC[NH+](Cc2nn(C)cc2C=O)CC1 ZINC000675052784 583916033 /nfs/dbraw/zinc/91/60/33/583916033.db2.gz AMOHCQPNXFVNOY-UHFFFAOYSA-N 1 2 249.358 2.245 10 0 BEAELO CC(C)(C)OC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000231501514 585030101 /nfs/dbraw/zinc/03/01/01/585030101.db2.gz MOTKQUFMKZGIBV-IJLUTSLNSA-N 1 2 239.359 2.496 10 0 BEAELO CC(C)c1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757564032 586461201 /nfs/dbraw/zinc/46/12/01/586461201.db2.gz AVDDWOUFXXHVTJ-UHFFFAOYSA-N 1 2 204.277 2.147 10 0 BEAELO CC[C@H](C)c1nc2[nH]ccc2c(NC)[nH+]1 ZINC000757570316 586462718 /nfs/dbraw/zinc/46/27/18/586462718.db2.gz WQDLYXRXOJYEDR-ZETCQYMHSA-N 1 2 204.277 2.465 10 0 BEAELO C[C@H](O)c1ccc(N2C[C@H](C)[C@@H](C)C2)[nH+]c1 ZINC000124946435 590102789 /nfs/dbraw/zinc/10/27/89/590102789.db2.gz PVXBIHAUUMMMFM-DCAQKATOSA-N 1 2 220.316 2.227 10 0 BEAELO C[N@@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCO1 ZINC000125994682 590203245 /nfs/dbraw/zinc/20/32/45/590203245.db2.gz WSVMIMMGXSZPOK-RDOCRHDPSA-N 1 2 224.131 2.416 10 0 BEAELO C[N@H+](C/C(Cl)=C/Cl)C[C@@H]1CCCO1 ZINC000125994682 590203248 /nfs/dbraw/zinc/20/32/48/590203248.db2.gz WSVMIMMGXSZPOK-RDOCRHDPSA-N 1 2 224.131 2.416 10 0 BEAELO C[C@H](O)c1ccc(N(C)Cc2ccncc2)[nH+]c1 ZINC000213227668 591455759 /nfs/dbraw/zinc/45/57/59/591455759.db2.gz BWCPWKVKJZNCGJ-NSHDSACASA-N 1 2 243.310 2.166 10 0 BEAELO C[C@H](O)c1ccc(N(C)Cc2ccoc2)[nH+]c1 ZINC000213243090 591457413 /nfs/dbraw/zinc/45/74/13/591457413.db2.gz HDOMCCBGIILPPO-JTQLQIEISA-N 1 2 232.283 2.364 10 0 BEAELO Cc1nnc(C[NH2+]Cc2ccc(F)cc2)s1 ZINC000134663999 591946762 /nfs/dbraw/zinc/94/67/62/591946762.db2.gz WZKKCHLOMCXIGY-UHFFFAOYSA-N 1 2 237.303 2.275 10 0 BEAELO CCCNc1cc(N[C@@H]2C[C@@H]2C)nc[nH+]1 ZINC000087827521 641059038 /nfs/dbraw/zinc/05/90/38/641059038.db2.gz GCXUXSUJNJOVHU-DTWKUNHWSA-N 1 2 206.293 2.119 10 0 BEAELO CCCNc1cc(N[C@@H]2C[C@@H]2C)[nH+]cn1 ZINC000087827521 641059045 /nfs/dbraw/zinc/05/90/45/641059045.db2.gz GCXUXSUJNJOVHU-DTWKUNHWSA-N 1 2 206.293 2.119 10 0 BEAELO CCCc1[nH+]ccn1-c1ncccc1C=O ZINC000233371474 642665154 /nfs/dbraw/zinc/66/51/54/642665154.db2.gz UEZCJAMEPHFURG-UHFFFAOYSA-N 1 2 215.256 2.032 10 0 BEAELO c1csc(C[NH2+][C@@H]2COc3ccccc32)n1 ZINC000069606620 642883319 /nfs/dbraw/zinc/88/33/19/642883319.db2.gz SMAPNEKITWBUEE-SNVBAGLBSA-N 1 2 232.308 2.366 10 0 BEAELO Clc1ncccc1C[NH2+]Cc1ccccn1 ZINC000083360492 643439757 /nfs/dbraw/zinc/43/97/57/643439757.db2.gz LSTSDFSULZIZRM-UHFFFAOYSA-N 1 2 233.702 2.420 10 0 BEAELO C[C@H]([NH2+]CC(F)(F)C(F)F)[C@@H]1CCCO1 ZINC000379904086 712622762 /nfs/dbraw/zinc/62/27/62/712622762.db2.gz JKRQZUILYKADKH-BQBZGAKWSA-N 1 2 229.217 2.044 10 0 BEAELO Cc1[nH+]c(N)ccc1-c1cn2c(n1)CCCC2 ZINC000706167568 712141508 /nfs/dbraw/zinc/14/15/08/712141508.db2.gz XDSYZKNOSFIOCI-UHFFFAOYSA-N 1 2 228.299 2.172 10 0 BEAELO CCC[C@H]([NH2+]C1CC(SC)C1)C(=O)OCC ZINC000707021949 712164195 /nfs/dbraw/zinc/16/41/95/712164195.db2.gz MCAAWFINODPVTF-ILDUYXDCSA-N 1 2 245.388 2.202 10 0 BEAELO Cc1conc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000708315315 712186147 /nfs/dbraw/zinc/18/61/47/712186147.db2.gz NWKSXCPBIWEYSR-LBPRGKRZSA-N 1 2 244.294 2.466 10 0 BEAELO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885436 712539838 /nfs/dbraw/zinc/53/98/38/712539838.db2.gz SDWKILIAIBIXAN-UWVGGRQHSA-N 1 2 248.330 2.437 10 0 BEAELO Cc1ccc(Cn2c[nH+]c(N)c2)c(Cl)c1 ZINC000685964298 538911073 /nfs/dbraw/zinc/91/10/73/538911073.db2.gz OPGKNBMRPFMFFV-UHFFFAOYSA-N 1 2 221.691 2.475 10 0 BEAELO Cc1cc(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)on1 ZINC000054601150 178010109 /nfs/dbraw/zinc/01/01/09/178010109.db2.gz HGLSLRWCIDNCCM-PHIMTYICSA-N 1 2 234.299 2.069 10 0 BEAELO Cc1cc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)on1 ZINC000054601150 178010114 /nfs/dbraw/zinc/01/01/14/178010114.db2.gz HGLSLRWCIDNCCM-PHIMTYICSA-N 1 2 234.299 2.069 10 0 BEAELO Cc1cc(Cl)ccc1Nc1[nH+]cnc(N)c1N ZINC000040703139 178069509 /nfs/dbraw/zinc/06/95/09/178069509.db2.gz XCTJBSQROKENFJ-UHFFFAOYSA-N 1 2 249.705 2.346 10 0 BEAELO Cc1cc(Cl)ccc1Nc1nc[nH+]c(N)c1N ZINC000040703139 178069513 /nfs/dbraw/zinc/06/95/13/178069513.db2.gz XCTJBSQROKENFJ-UHFFFAOYSA-N 1 2 249.705 2.346 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C1CCC(O)CC1 ZINC000034978351 178106061 /nfs/dbraw/zinc/10/60/61/178106061.db2.gz JUXZWQDGSBALBY-UHFFFAOYSA-N 1 2 220.316 2.293 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C[C@H]1CCOC1 ZINC000061146684 178106382 /nfs/dbraw/zinc/10/63/82/178106382.db2.gz IQKOXMGNAJSMFB-SNVBAGLBSA-N 1 2 206.289 2.026 10 0 BEAELO Cc1cc(N)ccc1[NH2+]C[C@@H]1CCOC1 ZINC000061146683 178106866 /nfs/dbraw/zinc/10/68/66/178106866.db2.gz IQKOXMGNAJSMFB-JTQLQIEISA-N 1 2 206.289 2.026 10 0 BEAELO Cc1cc(N)ccc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000049234744 178107053 /nfs/dbraw/zinc/10/70/53/178107053.db2.gz MGYUHPYDRZVBRB-NSHDSACASA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc(N)nc(Cc2ccc(F)cc2)[nH+]1 ZINC000050845093 178109385 /nfs/dbraw/zinc/10/93/85/178109385.db2.gz URPZSMBWEQIBGJ-UHFFFAOYSA-N 1 2 217.247 2.097 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616637749 398213676 /nfs/dbraw/zinc/21/36/76/398213676.db2.gz PKZQYQPUYAZDQF-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1ccc2ccccc2n1 ZINC000616637749 398213680 /nfs/dbraw/zinc/21/36/80/398213680.db2.gz PKZQYQPUYAZDQF-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO Cc1cc(NCC2(C)COC2)nc(C(C)C)[nH+]1 ZINC000112695860 178156387 /nfs/dbraw/zinc/15/63/87/178156387.db2.gz YLQUHLLXXUZZRS-UHFFFAOYSA-N 1 2 235.331 2.357 10 0 BEAELO Cc1cc(NCC(C)(C)CO)nc(C(C)C)[nH+]1 ZINC000124274898 178156672 /nfs/dbraw/zinc/15/66/72/178156672.db2.gz GBSITDHMMGFITA-UHFFFAOYSA-N 1 2 237.347 2.339 10 0 BEAELO Cc1cc(N[C@@H]2CCC(=O)NC23CCC3)nc[nH+]1 ZINC000328738773 178181415 /nfs/dbraw/zinc/18/14/15/178181415.db2.gz KXJDJFBUMJQPFX-SNVBAGLBSA-N 1 2 246.314 2.239 10 0 BEAELO CCOC(=O)N1CCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616613282 349610246 /nfs/dbraw/zinc/61/02/46/349610246.db2.gz SRXMGKQIQBGTNH-LLVKDONJSA-N 1 2 249.314 2.178 10 0 BEAELO CCOc1cc2c(cc1OC)C(C)=[NH+]CC2 ZINC000001641333 342706882 /nfs/dbraw/zinc/70/68/82/342706882.db2.gz ZYAQPWZMOVNFDF-UHFFFAOYSA-N 1 2 219.284 2.459 10 0 BEAELO CC(C)(C)[N@@H+]1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000006493037 342778651 /nfs/dbraw/zinc/77/86/51/342778651.db2.gz JERBWURCWWHQBK-OLZOCXBDSA-N 1 2 235.327 2.177 10 0 BEAELO CC(C)(C)[N@H+]1C[C@H](CO)O[C@H]1c1ccccc1 ZINC000006493037 342778653 /nfs/dbraw/zinc/77/86/53/342778653.db2.gz JERBWURCWWHQBK-OLZOCXBDSA-N 1 2 235.327 2.177 10 0 BEAELO Oc1ccc2c(c1)[C@@]13CCCC[C@H]1N(C2)[NH2+]CC3 ZINC000147756324 342780321 /nfs/dbraw/zinc/78/03/21/342780321.db2.gz URQPUQKGGMPUDA-CABCVRRESA-N 1 2 244.338 2.297 10 0 BEAELO CCC(CC)Nc1[nH+]cccc1C(N)=S ZINC000019440336 168395213 /nfs/dbraw/zinc/39/52/13/168395213.db2.gz IMVMIGDIGGMYGX-UHFFFAOYSA-N 1 2 223.345 2.316 10 0 BEAELO CC(C)(C)OC(=O)c1cccc2[nH]c(N)[nH+]c21 ZINC000725265321 539026954 /nfs/dbraw/zinc/02/69/54/539026954.db2.gz ZWEZDSIJCNLVRD-UHFFFAOYSA-N 1 2 233.271 2.100 10 0 BEAELO CC(C)(C)OC(=O)c1cccc2[nH+]c(N)[nH]c21 ZINC000725265321 539026955 /nfs/dbraw/zinc/02/69/55/539026955.db2.gz ZWEZDSIJCNLVRD-UHFFFAOYSA-N 1 2 233.271 2.100 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H](C)[C@@H]1CCCO1 ZINC000389730147 539017568 /nfs/dbraw/zinc/01/75/68/539017568.db2.gz SDLBURFQTXHFDD-JQWIXIFHSA-N 1 2 206.289 2.369 10 0 BEAELO Cc1cccc(C[NH2+]Cc2cscn2)n1 ZINC000048556836 343040049 /nfs/dbraw/zinc/04/00/49/343040049.db2.gz ATTDNEBTNOXAAP-UHFFFAOYSA-N 1 2 219.313 2.136 10 0 BEAELO CCNc1c(N)c[nH+]c2c(F)ccc(C)c12 ZINC000584882564 343085140 /nfs/dbraw/zinc/08/51/40/343085140.db2.gz KRAXLSWHGVAOQN-UHFFFAOYSA-N 1 2 219.263 2.118 10 0 BEAELO Cc1ccc(Nc2cc(N(C)C)nc(N)[nH+]2)cc1 ZINC000144240372 343131480 /nfs/dbraw/zinc/13/14/80/343131480.db2.gz ZELCPRFPXKJDKC-UHFFFAOYSA-N 1 2 243.314 2.177 10 0 BEAELO Cc1n[nH]c(C)c1C[NH2+][C@H](C)c1cscn1 ZINC000127840568 343178958 /nfs/dbraw/zinc/17/89/58/343178958.db2.gz DARCQNJRXKGRQK-SECBINFHSA-N 1 2 236.344 2.334 10 0 BEAELO CCc1cc2cc(OC)ccc2[nH+]c1N ZINC000032099274 343229566 /nfs/dbraw/zinc/22/95/66/343229566.db2.gz GDUAUDCEJSHDON-UHFFFAOYSA-N 1 2 202.257 2.388 10 0 BEAELO Cc1cn2cc(NC(=O)C(C)C)ccc2[nH+]1 ZINC000041304816 343418207 /nfs/dbraw/zinc/41/82/07/343418207.db2.gz AACLUQLRYITHJN-UHFFFAOYSA-N 1 2 217.272 2.237 10 0 BEAELO CCC[C@@H](C)[C@H](CC)[NH2+]CCn1cncn1 ZINC000167010649 136367795 /nfs/dbraw/zinc/36/77/95/136367795.db2.gz FLROLQREOWKCGV-NEPJUHHUSA-N 1 2 224.352 2.083 10 0 BEAELO Cc1cc[nH+]cc1N[C@H]1CCCOCC1 ZINC000083425740 343484852 /nfs/dbraw/zinc/48/48/52/343484852.db2.gz QSCZLGUKAKRAQF-NSHDSACASA-N 1 2 206.289 2.371 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H]1CCCOCC1 ZINC000083425739 343484888 /nfs/dbraw/zinc/48/48/88/343484888.db2.gz QSCZLGUKAKRAQF-LLVKDONJSA-N 1 2 206.289 2.371 10 0 BEAELO C[C@@H]1C[C@H](C)[N@H+](Cc2nnc(Cl)s2)C1 ZINC000157780814 343552307 /nfs/dbraw/zinc/55/23/07/343552307.db2.gz KIYXFUSGHSYDIF-RQJHMYQMSA-N 1 2 231.752 2.422 10 0 BEAELO C[C@@H]1C[C@H](C)[N@@H+](Cc2nnc(Cl)s2)C1 ZINC000157780814 343552309 /nfs/dbraw/zinc/55/23/09/343552309.db2.gz KIYXFUSGHSYDIF-RQJHMYQMSA-N 1 2 231.752 2.422 10 0 BEAELO C[C@@H]1C[C@@H](C)[N@H+](Cc2nnc(Cl)s2)C1 ZINC000157781128 343554747 /nfs/dbraw/zinc/55/47/47/343554747.db2.gz KIYXFUSGHSYDIF-RNFRBKRXSA-N 1 2 231.752 2.422 10 0 BEAELO C[C@@H]1C[C@@H](C)[N@@H+](Cc2nnc(Cl)s2)C1 ZINC000157781128 343554748 /nfs/dbraw/zinc/55/47/48/343554748.db2.gz KIYXFUSGHSYDIF-RNFRBKRXSA-N 1 2 231.752 2.422 10 0 BEAELO NNc1ccnc(-c2ccc(Cl)s2)[nH+]1 ZINC000051169014 343623194 /nfs/dbraw/zinc/62/31/94/343623194.db2.gz ICHGDQSZVGDLEK-UHFFFAOYSA-N 1 2 226.692 2.144 10 0 BEAELO Cn1c(C[NH+]2CCCCC2)nnc1C1CCC1 ZINC000125882572 343666583 /nfs/dbraw/zinc/66/65/83/343666583.db2.gz OGNSEPWNYVAMLQ-UHFFFAOYSA-N 1 2 234.347 2.069 10 0 BEAELO F[C@@H]1C[NH2+][C@H](c2nc(C3CCCC3)no2)C1 ZINC000409423411 343815179 /nfs/dbraw/zinc/81/51/79/343815179.db2.gz NZDTWGJVZPFTEM-IUCAKERBSA-N 1 2 225.267 2.100 10 0 BEAELO F[C@H]1C[NH2+][C@@H](c2nc(C3CCCC3)no2)C1 ZINC000409423412 343815350 /nfs/dbraw/zinc/81/53/50/343815350.db2.gz NZDTWGJVZPFTEM-RKDXNWHRSA-N 1 2 225.267 2.100 10 0 BEAELO CCc1n[nH]c(CC)c1CCC(=[NH2+])OC ZINC000409440981 343854527 /nfs/dbraw/zinc/85/45/27/343854527.db2.gz OWOJVHMICBOJBH-UHFFFAOYSA-N 1 2 209.293 2.091 10 0 BEAELO CC[C@@H]1CS[C@H](c2cscn2)[NH2+]1 ZINC000126797886 344104775 /nfs/dbraw/zinc/10/47/75/344104775.db2.gz DUWRVNWUVSRZNS-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO Cc1cc(-n2cc[nH+]c2)cc2ccc(=O)[nH]c12 ZINC000027647133 344283244 /nfs/dbraw/zinc/28/32/44/344283244.db2.gz XVINWTXHTFLUPD-UHFFFAOYSA-N 1 2 225.251 2.022 10 0 BEAELO CC(C)(C)OC(=O)N1CC[C@H](c2[nH]cc[nH+]2)C1 ZINC000230367475 344546598 /nfs/dbraw/zinc/54/65/98/344546598.db2.gz UOEVAHWPNIHAGN-VIFPVBQESA-N 1 2 237.303 2.134 10 0 BEAELO C[N@@H+](Cc1ccoc1)[C@@H]1CCCCC1=O ZINC000050151012 344649361 /nfs/dbraw/zinc/64/93/61/344649361.db2.gz QSCLHNMRTCOPFT-LLVKDONJSA-N 1 2 207.273 2.223 10 0 BEAELO C[N@H+](Cc1ccco1)[C@H]1CCCCC1=O ZINC000050133904 344646870 /nfs/dbraw/zinc/64/68/70/344646870.db2.gz IWRYXLSQKRLZDF-NSHDSACASA-N 1 2 207.273 2.223 10 0 BEAELO C[N@@H+](Cc1ccco1)[C@H]1CCCCC1=O ZINC000050133904 344646872 /nfs/dbraw/zinc/64/68/72/344646872.db2.gz IWRYXLSQKRLZDF-NSHDSACASA-N 1 2 207.273 2.223 10 0 BEAELO C[N@H+](Cc1ccoc1)[C@@H]1CCCCC1=O ZINC000050151012 344649359 /nfs/dbraw/zinc/64/93/59/344649359.db2.gz QSCLHNMRTCOPFT-LLVKDONJSA-N 1 2 207.273 2.223 10 0 BEAELO C[C@@H]1C[C@@H](CNc2cc[nH+]cc2F)C[C@H](C)O1 ZINC000641551440 362496488 /nfs/dbraw/zinc/49/64/88/362496488.db2.gz HBHNFGFZICSZHF-JGPRNRPPSA-N 1 2 238.306 2.258 10 0 BEAELO COc1c(C)c[nH+]cc1OC(F)(F)F ZINC000238368979 345031247 /nfs/dbraw/zinc/03/12/47/345031247.db2.gz BKWHNZMYYMLQEF-UHFFFAOYSA-N 1 2 207.151 2.297 10 0 BEAELO C[NH+](C)Cc1nc(Cl)ccc1Cl ZINC000061630348 345761683 /nfs/dbraw/zinc/76/16/83/345761683.db2.gz SLXWDNBNBVKRKC-UHFFFAOYSA-N 1 2 205.088 2.450 10 0 BEAELO CNc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CC2 ZINC000034894179 345845654 /nfs/dbraw/zinc/84/56/54/345845654.db2.gz OBLUYOWXNJNRKH-UHFFFAOYSA-N 1 2 228.299 2.014 10 0 BEAELO CNc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CC2 ZINC000034894179 345845655 /nfs/dbraw/zinc/84/56/55/345845655.db2.gz OBLUYOWXNJNRKH-UHFFFAOYSA-N 1 2 228.299 2.014 10 0 BEAELO Cc1cccc(C(=O)C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000061919851 179004300 /nfs/dbraw/zinc/00/43/00/179004300.db2.gz ZGBRIODFVORUHA-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1cccc(C(=O)C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000061919851 179004302 /nfs/dbraw/zinc/00/43/02/179004302.db2.gz ZGBRIODFVORUHA-ZDUSSCGKSA-N 1 2 247.338 2.289 10 0 BEAELO COc1ccc(-c2cccc(N)[nH+]2)cc1C=O ZINC000725242661 537986326 /nfs/dbraw/zinc/98/63/26/537986326.db2.gz RELANLCXDROZGZ-UHFFFAOYSA-N 1 2 228.251 2.152 10 0 BEAELO Cc1cccc(OCC[N@H+]2CCC(=O)C[C@H]2C)c1 ZINC000042896900 179167291 /nfs/dbraw/zinc/16/72/91/179167291.db2.gz LEALDUPTPNBORJ-CYBMUJFWSA-N 1 2 247.338 2.427 10 0 BEAELO Cc1cccc(OCC[N@@H+]2CCC(=O)C[C@H]2C)c1 ZINC000042896900 179167294 /nfs/dbraw/zinc/16/72/94/179167294.db2.gz LEALDUPTPNBORJ-CYBMUJFWSA-N 1 2 247.338 2.427 10 0 BEAELO CCOC(=O)[C@@H]1CC[C@H](c2ccc(C)cc2)[NH2+]1 ZINC000039020078 347175046 /nfs/dbraw/zinc/17/50/46/347175046.db2.gz SMUGUNFHUFWAIU-OLZOCXBDSA-N 1 2 233.311 2.351 10 0 BEAELO CCOC(=O)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000138276887 347368136 /nfs/dbraw/zinc/36/81/36/347368136.db2.gz BFQQCYSPWIXGQG-OLZOCXBDSA-N 1 2 233.311 2.085 10 0 BEAELO CCn1cc[nH+]c1-c1csc(C=O)c1 ZINC000616574575 349079892 /nfs/dbraw/zinc/07/98/92/349079892.db2.gz NVRCCUZANSJXCD-UHFFFAOYSA-N 1 2 206.270 2.444 10 0 BEAELO CN1c2ccccc2NC[C@H]1c1ccc(N)[nH+]c1 ZINC000616586394 349407973 /nfs/dbraw/zinc/40/79/73/349407973.db2.gz VWSVHXRYRBPFFY-ZDUSSCGKSA-N 1 2 240.310 2.097 10 0 BEAELO Cc1nc(N)sc1SCCn1cc[nH+]c1 ZINC000020254129 180001435 /nfs/dbraw/zinc/00/14/35/180001435.db2.gz SYAPJBIOHWWIMT-UHFFFAOYSA-N 1 2 240.357 2.023 10 0 BEAELO Cc1nc2sc3c(c2c(NN)[nH+]1)CC[C@H](C)C3 ZINC000031863456 180020662 /nfs/dbraw/zinc/02/06/62/180020662.db2.gz OSBGCTKXBLXTBV-LURJTMIESA-N 1 2 248.355 2.410 10 0 BEAELO Cc1nc([C@H]([NH3+])c2c(F)cccc2Cl)no1 ZINC000036762495 180053357 /nfs/dbraw/zinc/05/33/57/180053357.db2.gz BJXJXAOQRLYKDD-SECBINFHSA-N 1 2 241.653 2.219 10 0 BEAELO Cc1ccc(C[NH2+][C@H]2CCCn3nc(C)nc32)o1 ZINC000083475804 180111563 /nfs/dbraw/zinc/11/15/63/180111563.db2.gz ZRFQVGACBRKXBD-LBPRGKRZSA-N 1 2 246.314 2.113 10 0 BEAELO Cc1ncc(C[NH2+][C@H](C)c2cc[nH]n2)s1 ZINC000040997855 180158808 /nfs/dbraw/zinc/15/88/08/180158808.db2.gz MIJSYHBQYRDHLE-SSDOTTSWSA-N 1 2 222.317 2.025 10 0 BEAELO C[C@@H](c1ccco1)[N@H+](C)Cc1cncnc1 ZINC000131023758 490468289 /nfs/dbraw/zinc/46/82/89/490468289.db2.gz WTBBJKSPOXYFJW-JTQLQIEISA-N 1 2 217.272 2.263 10 0 BEAELO C[C@@H](c1ccco1)[N@@H+](C)Cc1cncnc1 ZINC000131023758 490468294 /nfs/dbraw/zinc/46/82/94/490468294.db2.gz WTBBJKSPOXYFJW-JTQLQIEISA-N 1 2 217.272 2.263 10 0 BEAELO Cc1ncsc1C[NH+]1[C@@H](C)COC[C@@H]1C ZINC000093607449 180318492 /nfs/dbraw/zinc/31/84/92/180318492.db2.gz OFQRVFFOALBTNK-IUCAKERBSA-N 1 2 226.345 2.061 10 0 BEAELO CC(C)(C)[N@@H+]1CCCOC[C@@H]1C(F)F ZINC000616599815 350759883 /nfs/dbraw/zinc/75/98/83/350759883.db2.gz PWLHTBVXYWYIBS-MRVPVSSYSA-N 1 2 207.264 2.141 10 0 BEAELO CC(C)(C)[N@H+]1CCCOC[C@@H]1C(F)F ZINC000616599815 350759887 /nfs/dbraw/zinc/75/98/87/350759887.db2.gz PWLHTBVXYWYIBS-MRVPVSSYSA-N 1 2 207.264 2.141 10 0 BEAELO c1nnc([C@H]2CCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000616606727 350798070 /nfs/dbraw/zinc/79/80/70/350798070.db2.gz IZASERADKSPDGF-GFCCVEGCSA-N 1 2 228.299 2.142 10 0 BEAELO c1nnc([C@H]2CCC[N@@H+]2Cc2ccccc2)[nH]1 ZINC000616606727 350798071 /nfs/dbraw/zinc/79/80/71/350798071.db2.gz IZASERADKSPDGF-GFCCVEGCSA-N 1 2 228.299 2.142 10 0 BEAELO [NH3+]c1ccc2c(c1)C[C@H](O)[C@@H](C1CCCC1)N2 ZINC000725268107 538099579 /nfs/dbraw/zinc/09/95/79/538099579.db2.gz KAUBTIRPGZGXKL-UONOGXRCSA-N 1 2 232.327 2.157 10 0 BEAELO CC(C)(C)C[C@@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000725267919 538099660 /nfs/dbraw/zinc/09/96/60/538099660.db2.gz BYYSOWRDOIFWTN-STQMWFEESA-N 1 2 234.343 2.403 10 0 BEAELO CCOC(=O)N1CCCC[C@H]1c1ccc[nH+]c1N ZINC000616615760 350850368 /nfs/dbraw/zinc/85/03/68/350850368.db2.gz QSTBMSVAVSRCQV-NSHDSACASA-N 1 2 249.314 2.347 10 0 BEAELO C[N@@H+]1CCSC[C@@H]1C(=O)CC1(C)CCC1 ZINC000306676639 350828307 /nfs/dbraw/zinc/82/83/07/350828307.db2.gz WQQDPSKERXHTCZ-SNVBAGLBSA-N 1 2 227.373 2.183 10 0 BEAELO C[N@H+]1CCSC[C@@H]1C(=O)CC1(C)CCC1 ZINC000306676639 350828311 /nfs/dbraw/zinc/82/83/11/350828311.db2.gz WQQDPSKERXHTCZ-SNVBAGLBSA-N 1 2 227.373 2.183 10 0 BEAELO Cc1csc([C@@H]2[NH2+]C[C@H](C)S2)n1 ZINC000159620057 350953161 /nfs/dbraw/zinc/95/31/61/350953161.db2.gz GULUYKCQKQRDBU-NKWVEPMBSA-N 1 2 200.332 2.175 10 0 BEAELO Cc1csc([C@H]2[NH2+][C@H](C)CS2)n1 ZINC000159620682 350953261 /nfs/dbraw/zinc/95/32/61/350953261.db2.gz UYQCUIJCYAOLLK-SVRRBLITSA-N 1 2 200.332 2.175 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1ccccc1F ZINC000616636135 351122863 /nfs/dbraw/zinc/12/28/63/351122863.db2.gz AUEWXUDNQOXBAX-GFCCVEGCSA-N 1 2 209.264 2.219 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1ccccc1F ZINC000616636135 351122865 /nfs/dbraw/zinc/12/28/65/351122865.db2.gz AUEWXUDNQOXBAX-GFCCVEGCSA-N 1 2 209.264 2.219 10 0 BEAELO CC(=O)N1CCCCC[C@@H]1c1ccc[nH+]c1N ZINC000616623297 351088596 /nfs/dbraw/zinc/08/85/96/351088596.db2.gz CZWFFEDGOWAPJH-GFCCVEGCSA-N 1 2 233.315 2.127 10 0 BEAELO CCN1c2ccccc2NC[C@H]1c1c[nH+]c[nH]1 ZINC000616686148 351256250 /nfs/dbraw/zinc/25/62/50/351256250.db2.gz IWLRXRLZEWEFIU-ZDUSSCGKSA-N 1 2 228.299 2.403 10 0 BEAELO CCN1c2ccccc2NC[C@H]1c1c[nH]c[nH+]1 ZINC000616686148 351256253 /nfs/dbraw/zinc/25/62/53/351256253.db2.gz IWLRXRLZEWEFIU-ZDUSSCGKSA-N 1 2 228.299 2.403 10 0 BEAELO Cc1c[nH]c([C@H](C)CNC(=O)OC(C)(C)C)[nH+]1 ZINC000307047127 351447378 /nfs/dbraw/zinc/44/73/78/351447378.db2.gz ZRKYSWVEXKRSQX-MRVPVSSYSA-N 1 2 239.319 2.346 10 0 BEAELO Cc1cnc([C@H]2[NH2+]C[C@@H](C)CS2)s1 ZINC000307051306 351453613 /nfs/dbraw/zinc/45/36/13/351453613.db2.gz SJBJMHVZIGXGIE-SVRRBLITSA-N 1 2 214.359 2.423 10 0 BEAELO Cc1ccc(C(=O)[C@@H](C)[NH+]2CCC2)cc1 ZINC000307064191 351461076 /nfs/dbraw/zinc/46/10/76/351461076.db2.gz QCBCTIFPHJRVBF-LLVKDONJSA-N 1 2 203.285 2.272 10 0 BEAELO Clc1cnccc1C[NH2+]Cc1ccccn1 ZINC000083360493 180599982 /nfs/dbraw/zinc/59/99/82/180599982.db2.gz LOPJQERWDCCJDP-UHFFFAOYSA-N 1 2 233.702 2.420 10 0 BEAELO N[NH2+][C@@H](C1CC(F)(F)C1)C1CCCC1 ZINC000307237544 351726420 /nfs/dbraw/zinc/72/64/20/351726420.db2.gz GTLQPFVGGPTJOK-SECBINFHSA-N 1 2 204.264 2.054 10 0 BEAELO CC(C)n1nccc1[C@@H]([NH3+])C(C)(F)F ZINC000307253305 351780239 /nfs/dbraw/zinc/78/02/39/351780239.db2.gz VAMJXFSLEYBJBX-MRVPVSSYSA-N 1 2 203.236 2.119 10 0 BEAELO C/C(=C\Cl)C[N@@H+]1CCCC[C@H]1C=O ZINC000393366725 351952087 /nfs/dbraw/zinc/95/20/87/351952087.db2.gz GACXPYKHOCBLDW-ZKXNXJMVSA-N 1 2 201.697 2.182 10 0 BEAELO C/C(=C\Cl)C[N@H+]1CCCC[C@H]1C=O ZINC000393366725 351952089 /nfs/dbraw/zinc/95/20/89/351952089.db2.gz GACXPYKHOCBLDW-ZKXNXJMVSA-N 1 2 201.697 2.182 10 0 BEAELO O[C@@H](Cn1cc[nH+]c1)c1ccsc1Cl ZINC000307363855 352449956 /nfs/dbraw/zinc/44/99/56/352449956.db2.gz KGHBHFJLFPTBCG-QMMMGPOBSA-N 1 2 228.704 2.332 10 0 BEAELO [NH3+][C@@H](c1cnsc1)c1ccc(Cl)o1 ZINC000404833585 352588158 /nfs/dbraw/zinc/58/81/58/352588158.db2.gz JBACMXGDNBLWTL-QMMMGPOBSA-N 1 2 214.677 2.438 10 0 BEAELO CC(C)c1[nH+]c(-c2ccc(F)cc2)c(N)n1N ZINC000052839938 187781742 /nfs/dbraw/zinc/78/17/42/187781742.db2.gz FZTYKEASOYNRQY-UHFFFAOYSA-N 1 2 234.278 2.109 10 0 BEAELO COc1ccc([C@@H]([NH3+])C(C)(F)F)s1 ZINC000307059042 353052234 /nfs/dbraw/zinc/05/22/34/353052234.db2.gz MLHLCQOMLBZQHS-SSDOTTSWSA-N 1 2 207.245 2.412 10 0 BEAELO CCCCCNc1cc(C(N)=S)cc[nH+]1 ZINC000019516324 168721514 /nfs/dbraw/zinc/72/15/14/168721514.db2.gz BGELUMGSRYGHGJ-UHFFFAOYSA-N 1 2 223.345 2.318 10 0 BEAELO CCCCCNc1[nH+]cccc1C(N)=S ZINC000019805622 168723543 /nfs/dbraw/zinc/72/35/43/168723543.db2.gz YMDGGSKVBUTDER-UHFFFAOYSA-N 1 2 223.345 2.318 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2cc[nH]c2)o1 ZINC000231529350 363344255 /nfs/dbraw/zinc/34/42/55/363344255.db2.gz UVVHPZNGUCBGES-SECBINFHSA-N 1 2 205.261 2.162 10 0 BEAELO c1ccc(N2CC3(CCC3)[C@@H]3COC[C@@H]32)[nH+]c1 ZINC000334727545 354528006 /nfs/dbraw/zinc/52/80/06/354528006.db2.gz LINITZYMFMQAPF-NEPJUHHUSA-N 1 2 230.311 2.087 10 0 BEAELO C[C@H](O)CCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000026462107 357135750 /nfs/dbraw/zinc/13/57/50/357135750.db2.gz WTQPTKOSFPCKIH-ZETCQYMHSA-N 1 2 208.236 2.015 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccc(CO)cc2)o1 ZINC000230647219 357544653 /nfs/dbraw/zinc/54/46/53/357544653.db2.gz ZGASUHFFLDZYNB-NSHDSACASA-N 1 2 246.310 2.326 10 0 BEAELO CCn1ncnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000193350462 357879529 /nfs/dbraw/zinc/87/95/29/357879529.db2.gz KOXQLCBGLBSFEK-LLVKDONJSA-N 1 2 246.314 2.228 10 0 BEAELO CCn1ncnc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000193350462 357879532 /nfs/dbraw/zinc/87/95/32/357879532.db2.gz KOXQLCBGLBSFEK-LLVKDONJSA-N 1 2 246.314 2.228 10 0 BEAELO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn[nH]n1 ZINC000398359081 357884385 /nfs/dbraw/zinc/88/43/85/357884385.db2.gz ISRBCLKHYZCBGF-BDAKNGLRSA-N 1 2 248.252 2.015 10 0 BEAELO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1c[nH]nn1 ZINC000398359081 357884388 /nfs/dbraw/zinc/88/43/88/357884388.db2.gz ISRBCLKHYZCBGF-BDAKNGLRSA-N 1 2 248.252 2.015 10 0 BEAELO c1ccc(N2CSCCSC2)[nH+]c1 ZINC000584630874 358301842 /nfs/dbraw/zinc/30/18/42/358301842.db2.gz ZZBXKKANKMTZEH-UHFFFAOYSA-N 1 2 212.343 2.283 10 0 BEAELO OCCCCCc1cn2ccccc2[nH+]1 ZINC000584636530 358321119 /nfs/dbraw/zinc/32/11/19/358321119.db2.gz BZHOSUOBJXOJAU-UHFFFAOYSA-N 1 2 204.273 2.039 10 0 BEAELO COc1cc(C)nc(C[NH2+]Cc2ccco2)c1 ZINC000214115555 358759646 /nfs/dbraw/zinc/75/96/46/358759646.db2.gz HIOMRAKLIGWDEF-UHFFFAOYSA-N 1 2 232.283 2.281 10 0 BEAELO COc1cc(C)[nH+]c(CNCc2ccco2)c1 ZINC000214115555 358759648 /nfs/dbraw/zinc/75/96/48/358759648.db2.gz HIOMRAKLIGWDEF-UHFFFAOYSA-N 1 2 232.283 2.281 10 0 BEAELO Oc1cccc([C@H]2[NH2+]CCS2)c1Cl ZINC000306161858 358966669 /nfs/dbraw/zinc/96/66/69/358966669.db2.gz VRCJRBFJFFWAHW-VIFPVBQESA-N 1 2 215.705 2.381 10 0 BEAELO C[N@H+](Cc1nc(Cl)cc(Cl)n1)C1CC1 ZINC000306219709 359336322 /nfs/dbraw/zinc/33/63/22/359336322.db2.gz TUVGQFDXLAZKIF-UHFFFAOYSA-N 1 2 232.114 2.378 10 0 BEAELO C[N@@H+](Cc1nc(Cl)cc(Cl)n1)C1CC1 ZINC000306219709 359336327 /nfs/dbraw/zinc/33/63/27/359336327.db2.gz TUVGQFDXLAZKIF-UHFFFAOYSA-N 1 2 232.114 2.378 10 0 BEAELO Brc1cc(-c2[nH]cc[nH+]2)ccn1 ZINC000237993167 360344424 /nfs/dbraw/zinc/34/44/24/360344424.db2.gz MJDWVYYNZBGDEU-UHFFFAOYSA-N 1 2 224.061 2.234 10 0 BEAELO Cc1cnc([C@@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306547336 360416158 /nfs/dbraw/zinc/41/61/58/360416158.db2.gz CCYFFBHPRNDAAZ-POYBYMJQSA-N 1 2 200.332 2.175 10 0 BEAELO NC(=S)c1cc[nH+]c(NCc2ccccc2)c1 ZINC000019518002 181321368 /nfs/dbraw/zinc/32/13/68/181321368.db2.gz BYDUEFBXVQFIAN-UHFFFAOYSA-N 1 2 243.335 2.328 10 0 BEAELO COc1cc[nH+]cc1C[C@H]1CCCC1=O ZINC000306624904 361285139 /nfs/dbraw/zinc/28/51/39/361285139.db2.gz GDUUMXLFNHZQQG-SECBINFHSA-N 1 2 205.257 2.002 10 0 BEAELO CCc1nnc(C[NH2+][C@@H](C)c2ccc(C)o2)[nH]1 ZINC000162457612 361352554 /nfs/dbraw/zinc/35/25/54/361352554.db2.gz SPWJNQNXPKGTFI-VIFPVBQESA-N 1 2 234.303 2.119 10 0 BEAELO CCn1cc[nH+]c1CSC[C@H](C)OC ZINC000181111400 366785482 /nfs/dbraw/zinc/78/54/82/366785482.db2.gz XGHZOJQVFRNEBD-VIFPVBQESA-N 1 2 214.334 2.171 10 0 BEAELO COc1ccc(NCc2[nH+]ccn2C)cc1OC ZINC000036804582 361492601 /nfs/dbraw/zinc/49/26/01/361492601.db2.gz DGEAROJZLXWASI-UHFFFAOYSA-N 1 2 247.298 2.049 10 0 BEAELO C[C@H]1CSCC[N@@H+]1Cc1ccc(C=O)o1 ZINC000161286763 363916357 /nfs/dbraw/zinc/91/63/57/363916357.db2.gz NJEHWFAGZFTVOY-VIFPVBQESA-N 1 2 225.313 2.029 10 0 BEAELO C[C@H]1CSCC[N@H+]1Cc1ccc(C=O)o1 ZINC000161286763 363916364 /nfs/dbraw/zinc/91/63/64/363916364.db2.gz NJEHWFAGZFTVOY-VIFPVBQESA-N 1 2 225.313 2.029 10 0 BEAELO [NH3+]CC[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000037713050 181397772 /nfs/dbraw/zinc/39/77/72/181397772.db2.gz CGVLIVFRINDSJU-UHFFFAOYSA-N 1 2 219.115 2.042 10 0 BEAELO CC[C@@H]1SCCS[C@H]1C(=[NH2+])OC ZINC000252723986 367896150 /nfs/dbraw/zinc/89/61/50/367896150.db2.gz WBEYZNYVBNRVRC-NKWVEPMBSA-N 1 2 205.348 2.237 10 0 BEAELO Cc1nc([C@@H](C)[NH2+]Cc2nccnc2C)cs1 ZINC000621334609 370268564 /nfs/dbraw/zinc/26/85/64/370268564.db2.gz MCLGFJKSJBUYOP-SECBINFHSA-N 1 2 248.355 2.401 10 0 BEAELO C[C@H]1CCS[C@H](c2cncs2)[NH2+]1 ZINC000161611494 370603122 /nfs/dbraw/zinc/60/31/22/370603122.db2.gz JVFUESDXKXMOIN-POYBYMJQSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@@H]1CCS[C@@H](c2cncs2)[NH2+]1 ZINC000161611626 370603214 /nfs/dbraw/zinc/60/32/14/370603214.db2.gz JVFUESDXKXMOIN-SVRRBLITSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@@H]1CCS[C@H](c2cncs2)[NH2+]1 ZINC000161611365 370603296 /nfs/dbraw/zinc/60/32/96/370603296.db2.gz JVFUESDXKXMOIN-HTRCEHHLSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@@H]1C[NH2+][C@H](c2nccs2)SC1 ZINC000161611883 370603787 /nfs/dbraw/zinc/60/37/87/370603787.db2.gz GUOUUISSVXVLRR-SVRRBLITSA-N 1 2 200.332 2.114 10 0 BEAELO C[C@H]1C[NH2+][C@@H](c2cncs2)SC1 ZINC000161612748 370604397 /nfs/dbraw/zinc/60/43/97/370604397.db2.gz HIXVKZOIPQVNKJ-POYBYMJQSA-N 1 2 200.332 2.114 10 0 BEAELO Nc1c(N[C@@H]2CCCOC2)ccc2[nH+]cccc21 ZINC000103960305 181671143 /nfs/dbraw/zinc/67/11/43/181671143.db2.gz PDHOEVJCDPUDBC-SNVBAGLBSA-N 1 2 243.310 2.408 10 0 BEAELO CSCCc1[nH]c2cccc(N)c2[nH+]1 ZINC000069983419 374104147 /nfs/dbraw/zinc/10/41/47/374104147.db2.gz CPXLGRZKVFIMDT-UHFFFAOYSA-N 1 2 207.302 2.051 10 0 BEAELO CCCCc1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000040443491 169026810 /nfs/dbraw/zinc/02/68/10/169026810.db2.gz RMZRGWPXZUCWJC-VIFPVBQESA-N 1 2 209.293 2.227 10 0 BEAELO CCCCc1nnc([C@@H]([NH3+])c2ccccc2)o1 ZINC000050283993 169029303 /nfs/dbraw/zinc/02/93/03/169029303.db2.gz GIWWBQQXNIUXRZ-LBPRGKRZSA-N 1 2 231.299 2.460 10 0 BEAELO OC[C@H]1CCCCC[C@H]1Nc1cccc[nH+]1 ZINC000301794387 183146960 /nfs/dbraw/zinc/14/69/60/183146960.db2.gz SOACWKKFDJCGNJ-VXGBXAGGSA-N 1 2 220.316 2.435 10 0 BEAELO O[C@@H]1CCCC[C@@H]1Nc1cc[nH+]c(C2CC2)n1 ZINC000112554874 183189820 /nfs/dbraw/zinc/18/98/20/183189820.db2.gz VHZWUVRBEDKISB-WDEREUQCSA-N 1 2 233.315 2.069 10 0 BEAELO O[C@H](CNc1cccc[nH+]1)C1CCCC1 ZINC000301292555 183226031 /nfs/dbraw/zinc/22/60/31/183226031.db2.gz PWJGSHYRVHYZAI-LLVKDONJSA-N 1 2 206.289 2.045 10 0 BEAELO c1cnn(-c2ccccc2-c2[nH]cc[nH+]2)c1 ZINC000034604596 183386395 /nfs/dbraw/zinc/38/63/95/183386395.db2.gz ODVUFTJHAZJOND-UHFFFAOYSA-N 1 2 210.240 2.262 10 0 BEAELO c1cn(-c2ccccc2N[C@H]2CCOC2)c[nH+]1 ZINC000104072077 183385888 /nfs/dbraw/zinc/38/58/88/183385888.db2.gz CDLONGUWTIXVQN-NSHDSACASA-N 1 2 229.283 2.073 10 0 BEAELO c1ccc(C2=NNc3cc[nH+]cc3N2)cc1 ZINC000039209440 183389700 /nfs/dbraw/zinc/38/97/00/183389700.db2.gz SOBLOUXFQFKCKH-UHFFFAOYSA-N 1 2 210.240 2.281 10 0 BEAELO CC(C)(C)[C@@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334565 383915539 /nfs/dbraw/zinc/91/55/39/383915539.db2.gz ILYVLMQDQCVTDR-JTQLQIEISA-N 1 2 235.331 2.173 10 0 BEAELO CCCn1ncnc1C[NH2+][C@H](C)c1ccc(C)o1 ZINC000088589959 383915999 /nfs/dbraw/zinc/91/59/99/383915999.db2.gz OWPRILQBSLWNDK-LLVKDONJSA-N 1 2 248.330 2.440 10 0 BEAELO Clc1nsnc1-n1c[nH+]c2c1CCCC2 ZINC000127355285 383886094 /nfs/dbraw/zinc/88/60/94/383886094.db2.gz QWFZHAKYTRISQA-UHFFFAOYSA-N 1 2 240.719 2.256 10 0 BEAELO Cc1cc[nH+]cc1NC[C@H]1CCC=CO1 ZINC000070958483 383971774 /nfs/dbraw/zinc/97/17/74/383971774.db2.gz DCYHSGWNZXNYFS-LLVKDONJSA-N 1 2 204.273 2.495 10 0 BEAELO c1ccc([C@H]2N[NH+]=C3CCCCN32)cc1 ZINC000072416246 384111478 /nfs/dbraw/zinc/11/14/78/384111478.db2.gz BRPBQFFECGJVMV-LBPRGKRZSA-N 1 2 201.273 2.088 10 0 BEAELO CC1(C)SC[C@H]1[NH2+][C@H]1CCCc2[nH]ncc21 ZINC000309754864 384171136 /nfs/dbraw/zinc/17/11/36/384171136.db2.gz HJFAZQBRCUFAIE-GXSJLCMTSA-N 1 2 237.372 2.271 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000121180790 384400577 /nfs/dbraw/zinc/40/05/77/384400577.db2.gz UCAUFXSSUZSSDB-QWRGUYRKSA-N 1 2 249.314 2.031 10 0 BEAELO CC(=O)Nc1c2[nH+]c[nH]c2cc(C)c1C ZINC000045808982 384408350 /nfs/dbraw/zinc/40/83/50/384408350.db2.gz LWPCXAPRFTUNLN-UHFFFAOYSA-N 1 2 203.245 2.138 10 0 BEAELO CCOc1cc(C=O)ccc1-n1cc[nH+]c1 ZINC000095938047 384417104 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BEAELO Cc1[nH+]cccc1N[C@H]1CO[C@@H](C2CC2)C1 ZINC000667913042 488155693 /nfs/dbraw/zinc/15/56/93/488155693.db2.gz WEBRVNWJVYTVAH-DGCLKSJQSA-N 1 2 218.300 2.369 10 0 BEAELO COc1ccccc1O[C@@]1(C)[NH2+]CCS1 ZINC000198858510 490245025 /nfs/dbraw/zinc/24/50/25/490245025.db2.gz SZIWPSBEKTUDIZ-LLVKDONJSA-N 1 2 225.313 2.084 10 0 BEAELO CC1(C)C[C@H](O)c2cc3[nH]c[nH+]c3cc21 ZINC000057347027 520558891 /nfs/dbraw/zinc/55/88/91/520558891.db2.gz GIAUMBKASKASBS-NSHDSACASA-N 1 2 202.257 2.278 10 0 BEAELO Cc1cc(Cl)nc(C[NH+]2CCCCC2)n1 ZINC000026443803 524917286 /nfs/dbraw/zinc/91/72/86/524917286.db2.gz YRQWCNLHEPJUKR-UHFFFAOYSA-N 1 2 225.723 2.424 10 0 BEAELO CC1(C)C[C@]2(CO1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757147096 582530187 /nfs/dbraw/zinc/53/01/87/582530187.db2.gz MBJBXXPSCMXPGD-MFKMUULPSA-N 1 2 237.299 2.226 10 0 BEAELO CC(=O)[C@H]1CCCN(c2cc(C(C)C)[nH+]cn2)C1 ZINC000111691058 582817828 /nfs/dbraw/zinc/81/78/28/582817828.db2.gz WJNFFZWQSSSGGC-LBPRGKRZSA-N 1 2 247.342 2.405 10 0 BEAELO 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ZINC000062208518 178349520 /nfs/dbraw/zinc/34/95/20/178349520.db2.gz VLXVHLDGHFSZHA-UHFFFAOYSA-N 1 2 239.282 2.015 10 0 BEAELO O[C@@H]1CCC[C@H](C[N@H+](CC(F)F)C2CC2)C1 ZINC000381644731 398268002 /nfs/dbraw/zinc/26/80/02/398268002.db2.gz QBSMQAZRFUJCNB-GXSJLCMTSA-N 1 2 233.302 2.267 10 0 BEAELO O[C@@H]1CCC[C@H](C[N@@H+](CC(F)F)C2CC2)C1 ZINC000381644731 398268005 /nfs/dbraw/zinc/26/80/05/398268005.db2.gz QBSMQAZRFUJCNB-GXSJLCMTSA-N 1 2 233.302 2.267 10 0 BEAELO CC[C@@]1(C)N(O)[C@H](C)C(c2ccccc2)=[N+]1O ZINC000165348746 342920423 /nfs/dbraw/zinc/92/04/23/342920423.db2.gz YARVHMNOGFPZCR-MFKMUULPSA-N 1 2 235.307 2.097 10 0 BEAELO Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000019936726 342963652 /nfs/dbraw/zinc/96/36/52/342963652.db2.gz AQBWQDXBAHASJB-UHFFFAOYSA-N 1 2 211.268 2.184 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000144298078 362018413 /nfs/dbraw/zinc/01/84/13/362018413.db2.gz AXIBLWOMXBAITH-NSHDSACASA-N 1 2 211.692 2.343 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1ccc(Cl)cc1 ZINC000144298078 362018418 /nfs/dbraw/zinc/01/84/18/362018418.db2.gz AXIBLWOMXBAITH-NSHDSACASA-N 1 2 211.692 2.343 10 0 BEAELO C[NH2+][C@H](c1ccsn1)c1occc1C ZINC000306668319 362025363 /nfs/dbraw/zinc/02/53/63/362025363.db2.gz FPLSBTJJIRNHSM-SECBINFHSA-N 1 2 208.286 2.353 10 0 BEAELO CCNc1c(N)c[nH+]c2c(F)cc(C)cc12 ZINC000584882396 343084640 /nfs/dbraw/zinc/08/46/40/343084640.db2.gz FXKRSGQPMAOEMZ-UHFFFAOYSA-N 1 2 219.263 2.118 10 0 BEAELO CCOc1cccc2c(NC)c(N)c[nH+]c12 ZINC000584882894 343085486 /nfs/dbraw/zinc/08/54/86/343085486.db2.gz YYQGAOAZWOUBJP-UHFFFAOYSA-N 1 2 217.272 2.257 10 0 BEAELO Nc1c[nH+]c2c(Cl)cc(F)cc2c1N ZINC000584882785 343085598 /nfs/dbraw/zinc/08/55/98/343085598.db2.gz RPIOQDQXQXOSNK-UHFFFAOYSA-N 1 2 211.627 2.192 10 0 BEAELO CCNc1c(N)c[nH+]c2c(Cl)ccc(F)c12 ZINC000584882747 343085650 /nfs/dbraw/zinc/08/56/50/343085650.db2.gz OZEWXUSEUNCOLZ-UHFFFAOYSA-N 1 2 239.681 2.463 10 0 BEAELO C[NH2+][C@@H](c1ccsn1)c1cnc(C)s1 ZINC000306669387 362032586 /nfs/dbraw/zinc/03/25/86/362032586.db2.gz 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CCC(=O)C[N@H+]1CCc2sccc2C1 ZINC000050180197 343610456 /nfs/dbraw/zinc/61/04/56/343610456.db2.gz MCGQOBDOLOJRCD-UHFFFAOYSA-N 1 2 209.314 2.085 10 0 BEAELO c1ccc(N2CC[NH+]([C@H]3CCCCO3)CC2)cc1 ZINC000166688478 343720540 /nfs/dbraw/zinc/72/05/40/343720540.db2.gz DRFHLFBXSHZAKA-OAHLLOKOSA-N 1 2 246.354 2.335 10 0 BEAELO Fc1ccc(F)c([C@H]2[NH2+]CCS2)c1 ZINC000050522890 343782520 /nfs/dbraw/zinc/78/25/20/343782520.db2.gz SCKGWYLNRADUMP-VIFPVBQESA-N 1 2 201.241 2.300 10 0 BEAELO Nc1ccc(N2Cc3ccccc3C2)[nH+]c1 ZINC000050910867 343783446 /nfs/dbraw/zinc/78/34/46/343783446.db2.gz CXASKOVKELMAQT-UHFFFAOYSA-N 1 2 211.268 2.184 10 0 BEAELO Nc1cc(Br)cc(-c2[nH]cc[nH+]2)c1 ZINC000165690861 343963450 /nfs/dbraw/zinc/96/34/50/343963450.db2.gz HYIUUNRYBVUJNY-UHFFFAOYSA-N 1 2 238.088 2.421 10 0 BEAELO COc1ccc2cc(Cn3cc[nH+]c3)cnc2c1 ZINC000215937806 344135488 /nfs/dbraw/zinc/13/54/88/344135488.db2.gz AWBVQMVTOBJMAE-UHFFFAOYSA-N 1 2 239.278 2.488 10 0 BEAELO Cc1occc1C[N@@H+](C)[C@H]1CCCC1=O ZINC000050154196 344650695 /nfs/dbraw/zinc/65/06/95/344650695.db2.gz MPBUSZFPTJNOLS-NSHDSACASA-N 1 2 207.273 2.141 10 0 BEAELO Cc1occc1C[N@H+](C)[C@H]1CCCC1=O ZINC000050154196 344650697 /nfs/dbraw/zinc/65/06/97/344650697.db2.gz MPBUSZFPTJNOLS-NSHDSACASA-N 1 2 207.273 2.141 10 0 BEAELO CCn1cc[nH+]c1CS[C@@H]1CCO[C@@H]1C ZINC000163362011 323076878 /nfs/dbraw/zinc/07/68/78/323076878.db2.gz LCLGFOMACGDBHN-NXEZZACHSA-N 1 2 226.345 2.314 10 0 BEAELO Clc1sccc1[C@@H]1[NH2+]CCc2nc[nH]c21 ZINC000400587367 537859377 /nfs/dbraw/zinc/85/93/77/537859377.db2.gz WIHJQJWKWLVCFM-QMMMGPOBSA-N 1 2 239.731 2.360 10 0 BEAELO Clc1sccc1[C@H]1[NH2+]CCc2nc[nH]c21 ZINC000400587364 537859027 /nfs/dbraw/zinc/85/90/27/537859027.db2.gz WIHJQJWKWLVCFM-MRVPVSSYSA-N 1 2 239.731 2.360 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cnccn2)o1 ZINC000054765950 178845318 /nfs/dbraw/zinc/84/53/18/178845318.db2.gz QIDPNTOXRNZECC-SNVBAGLBSA-N 1 2 217.272 2.229 10 0 BEAELO CCn1cc[nH+]c1C[C@@]1(C)CCC(=O)C1 ZINC000166877268 345925429 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QICZBRHVEVGRKQ-LLVKDONJSA-N 1 2 232.308 2.366 10 0 BEAELO c1ccc([C@H]2N[NH+]=C3CCCCCN32)cc1 ZINC000072416244 384110435 /nfs/dbraw/zinc/11/04/35/384110435.db2.gz ZGDOBVDFAKRZRF-ZDUSSCGKSA-N 1 2 215.300 2.478 10 0 BEAELO c1ccc([C@@H]2N[NH+]=C3CCCCN32)cc1 ZINC000072416245 384110805 /nfs/dbraw/zinc/11/08/05/384110805.db2.gz BRPBQFFECGJVMV-GFCCVEGCSA-N 1 2 201.273 2.088 10 0 BEAELO NNc1nc(-c2ccccc2Cl)cc[nH+]1 ZINC000072417401 384143672 /nfs/dbraw/zinc/14/36/72/384143672.db2.gz LIGOACIBCHKORB-UHFFFAOYSA-N 1 2 220.663 2.083 10 0 BEAELO Cn1ncc2c1nc[nH+]c2NCCC1=CCCC1 ZINC000133272241 384281002 /nfs/dbraw/zinc/28/10/02/384281002.db2.gz JBOQMJBQSKDNJL-UHFFFAOYSA-N 1 2 243.314 2.276 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H](C)CCn1cccn1 ZINC000159331229 384323263 /nfs/dbraw/zinc/32/32/63/384323263.db2.gz RCHKLGXKFMLVCV-LBPRGKRZSA-N 1 2 230.315 2.477 10 0 BEAELO CC[C@@H](NC(=O)OC(C)(C)C)c1[nH]cc[nH+]1 ZINC000095883513 384404305 /nfs/dbraw/zinc/40/43/05/384404305.db2.gz BVPHWFFQXRGSBA-MRVPVSSYSA-N 1 2 225.292 2.386 10 0 BEAELO c1ccc(NC[C@H]2CC23CCOCC3)[nH+]c1 ZINC000336475884 384477772 /nfs/dbraw/zinc/47/77/72/384477772.db2.gz KZLWRFURURUNDW-LLVKDONJSA-N 1 2 218.300 2.310 10 0 BEAELO Cn1ccnc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000049856726 384574304 /nfs/dbraw/zinc/57/43/04/384574304.db2.gz ANWJUTFNSGVWTI-GFCCVEGCSA-N 1 2 243.310 2.034 10 0 BEAELO CC(c1ccccc1)(n1ccnc1)n1cc[nH+]c1 ZINC000028764853 384646687 /nfs/dbraw/zinc/64/66/87/384646687.db2.gz OYPRTTXKMJPUTB-UHFFFAOYSA-N 1 2 238.294 2.349 10 0 BEAELO Cn1ccnc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000051173282 384658830 /nfs/dbraw/zinc/65/88/30/384658830.db2.gz XTFFJRZIVCPLCF-MRVPVSSYSA-N 1 2 227.720 2.183 10 0 BEAELO Cc1cnc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)o1 ZINC000173648144 384703512 /nfs/dbraw/zinc/70/35/12/384703512.db2.gz UMMJQKKCNSCSOX-LBPRGKRZSA-N 1 2 246.314 2.054 10 0 BEAELO Cc1cnc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)o1 ZINC000173648144 384703520 /nfs/dbraw/zinc/70/35/20/384703520.db2.gz UMMJQKKCNSCSOX-LBPRGKRZSA-N 1 2 246.314 2.054 10 0 BEAELO Cn1ccnc1C[NH2+][C@@H]1CCCc2occc21 ZINC000051921350 384703761 /nfs/dbraw/zinc/70/37/61/384703761.db2.gz CTQAGHGTUCKQGQ-LLVKDONJSA-N 1 2 231.299 2.180 10 0 BEAELO Cc1csc([C@H]2C[N@H+](CCCF)CCO2)n1 ZINC000125394008 384714221 /nfs/dbraw/zinc/71/42/21/384714221.db2.gz FDJVDMBEDMMPAI-SNVBAGLBSA-N 1 2 244.335 2.184 10 0 BEAELO Cc1csc([C@H]2C[N@@H+](CCCF)CCO2)n1 ZINC000125394008 384714225 /nfs/dbraw/zinc/71/42/25/384714225.db2.gz FDJVDMBEDMMPAI-SNVBAGLBSA-N 1 2 244.335 2.184 10 0 BEAELO Cc1csc([C@@H]2C[N@H+](CCCF)CCO2)n1 ZINC000125393771 384714381 /nfs/dbraw/zinc/71/43/81/384714381.db2.gz FDJVDMBEDMMPAI-JTQLQIEISA-N 1 2 244.335 2.184 10 0 BEAELO Cc1csc([C@@H]2C[N@@H+](CCCF)CCO2)n1 ZINC000125393771 384714389 /nfs/dbraw/zinc/71/43/89/384714389.db2.gz FDJVDMBEDMMPAI-JTQLQIEISA-N 1 2 244.335 2.184 10 0 BEAELO CC(=O)CC[N@@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125593674 384729613 /nfs/dbraw/zinc/72/96/13/384729613.db2.gz PIBAIHMJAVSSPG-GFCCVEGCSA-N 1 2 239.340 2.101 10 0 BEAELO CC(=O)CC[N@H+]1CCO[C@@H](c2ccsc2)C1 ZINC000125593674 384729621 /nfs/dbraw/zinc/72/96/21/384729621.db2.gz PIBAIHMJAVSSPG-GFCCVEGCSA-N 1 2 239.340 2.101 10 0 BEAELO Nc1cc[nH+]c(-c2cc(Cl)ccn2)c1 ZINC000072204378 384819330 /nfs/dbraw/zinc/81/93/30/384819330.db2.gz GGVSHZOGZWNPFF-UHFFFAOYSA-N 1 2 205.648 2.379 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2cnn[nH]2)cc1F ZINC000398309597 384900106 /nfs/dbraw/zinc/90/01/06/384900106.db2.gz XDSWELIASIOEMR-VIFPVBQESA-N 1 2 234.278 2.103 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2c[nH]nn2)cc1F ZINC000398309597 384900115 /nfs/dbraw/zinc/90/01/15/384900115.db2.gz XDSWELIASIOEMR-VIFPVBQESA-N 1 2 234.278 2.103 10 0 BEAELO Clc1ccccc1[C@H]1C[N@@H+](C2CC2)CCN1 ZINC000056894781 384921233 /nfs/dbraw/zinc/92/12/33/384921233.db2.gz RHXAIMYXICXMJR-CYBMUJFWSA-N 1 2 236.746 2.449 10 0 BEAELO Clc1ccccc1[C@H]1C[N@H+](C2CC2)CCN1 ZINC000056894781 384921238 /nfs/dbraw/zinc/92/12/38/384921238.db2.gz RHXAIMYXICXMJR-CYBMUJFWSA-N 1 2 236.746 2.449 10 0 BEAELO C[C@@H]1C[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301898837 384939221 /nfs/dbraw/zinc/93/92/21/384939221.db2.gz XGNWGIORJIWEPS-GMSGAONNSA-N 1 2 214.272 2.032 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccns2)o1 ZINC000404413489 384981497 /nfs/dbraw/zinc/98/14/97/384981497.db2.gz BDMGVBSBJKFSAE-MRVPVSSYSA-N 1 2 223.301 2.290 10 0 BEAELO Fc1cc(-c2cc[nH]n2)ccc1-n1cc[nH+]c1 ZINC000058824536 385025871 /nfs/dbraw/zinc/02/58/71/385025871.db2.gz ZKNORXKIECIURX-UHFFFAOYSA-N 1 2 228.230 2.402 10 0 BEAELO C/C=C/C[S@](=O)Cc1[nH+]ccn1C(C)C ZINC000176838016 385152962 /nfs/dbraw/zinc/15/29/62/385152962.db2.gz UJTFJCXZGJFSST-RGDDUWESSA-N 1 2 226.345 2.289 10 0 BEAELO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CCS1 ZINC000110540987 385246625 /nfs/dbraw/zinc/24/66/25/385246625.db2.gz FQARUFKOQXOGKO-SECBINFHSA-N 1 2 235.356 2.296 10 0 BEAELO Cc1c(CNc2ccc(C)[nH+]c2)cnn1C ZINC000154266837 385311971 /nfs/dbraw/zinc/31/19/71/385311971.db2.gz YYXKMYZVOIFOFD-UHFFFAOYSA-N 1 2 216.288 2.044 10 0 BEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3cocn3)C2)c1 ZINC000191941880 385335370 /nfs/dbraw/zinc/33/53/70/385335370.db2.gz LNUSFVXMMGDRRB-ZDUSSCGKSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3cocn3)C2)c1 ZINC000191941880 385335374 /nfs/dbraw/zinc/33/53/74/385335374.db2.gz LNUSFVXMMGDRRB-ZDUSSCGKSA-N 1 2 246.314 2.017 10 0 BEAELO CCOc1cc2[nH+]ccc(NN)c2cc1OCC ZINC000051151901 385413736 /nfs/dbraw/zinc/41/37/36/385413736.db2.gz KDQUDXIGNQBOJH-UHFFFAOYSA-N 1 2 247.298 2.318 10 0 BEAELO CSc1nnc(CNc2cccc[nH+]2)s1 ZINC000336742143 385928867 /nfs/dbraw/zinc/92/88/67/385928867.db2.gz WLERLWODJSVDRG-UHFFFAOYSA-N 1 2 238.341 2.267 10 0 BEAELO Clc1cncc([C@@H]2[NH2+]CCCS2)c1 ZINC000575579756 386219868 /nfs/dbraw/zinc/21/98/68/386219868.db2.gz ZJGAARANLZRSQA-SECBINFHSA-N 1 2 214.721 2.460 10 0 BEAELO c1ccc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)[nH+]c1 ZINC000301832154 386881138 /nfs/dbraw/zinc/88/11/38/386881138.db2.gz TWLHVYGZBHSPBZ-RAIGVLPGSA-N 1 2 230.311 2.451 10 0 BEAELO CC(C)(C)OC(=O)Cc1c[nH+]c2ccccn12 ZINC000575432114 387055113 /nfs/dbraw/zinc/05/51/13/387055113.db2.gz GMHHWFJBCKWRRB-UHFFFAOYSA-N 1 2 232.283 2.219 10 0 BEAELO Cn1c2ccccc2[nH+]c1[C@H]1CC[C@H](O)C1 ZINC000575602902 387365983 /nfs/dbraw/zinc/36/59/83/387365983.db2.gz ZTOPDGXPCJVYMK-UWVGGRQHSA-N 1 2 216.284 2.202 10 0 BEAELO Brc1cnccc1[C@H]1[NH2+]CCS1 ZINC000575546774 387634925 /nfs/dbraw/zinc/63/49/25/387634925.db2.gz URPKZWCXZMFWJD-QMMMGPOBSA-N 1 2 245.145 2.179 10 0 BEAELO CCSc1[nH+]cc2cccc(C=O)n21 ZINC000039423121 387686168 /nfs/dbraw/zinc/68/61/68/387686168.db2.gz GELBCLWLUHGBSY-UHFFFAOYSA-N 1 2 206.270 2.259 10 0 BEAELO Cc1nc(C[N@H+](C)C[C@@H]2CCCO2)cs1 ZINC000128553450 387749796 /nfs/dbraw/zinc/74/97/96/387749796.db2.gz UDLKADCQYRNDIQ-NSHDSACASA-N 1 2 226.345 2.062 10 0 BEAELO Cc1nc(C[N@@H+](C)C[C@@H]2CCCO2)cs1 ZINC000128553450 387749800 /nfs/dbraw/zinc/74/98/00/387749800.db2.gz UDLKADCQYRNDIQ-NSHDSACASA-N 1 2 226.345 2.062 10 0 BEAELO C[C@H](c1ccccc1F)[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000193621542 387858052 /nfs/dbraw/zinc/85/80/52/387858052.db2.gz GICFMGNUNCDREB-UPJWGTAASA-N 1 2 248.345 2.380 10 0 BEAELO CCn1nccc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245540917 387953262 /nfs/dbraw/zinc/95/32/62/387953262.db2.gz NIGLPWNAPSCJRQ-KGLIPLIRSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1nccc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000245540917 387953265 /nfs/dbraw/zinc/95/32/65/387953265.db2.gz NIGLPWNAPSCJRQ-KGLIPLIRSA-N 1 2 249.358 2.046 10 0 BEAELO C[C@@H](CC(=O)NCc1c[nH+]c[nH]1)C(C)(C)C ZINC000084081755 388070044 /nfs/dbraw/zinc/07/00/44/388070044.db2.gz SDDBSULWJHVSMB-VIFPVBQESA-N 1 2 223.320 2.098 10 0 BEAELO C[C@@H](CC(=O)NCc1c[nH]c[nH+]1)C(C)(C)C ZINC000084081755 388070045 /nfs/dbraw/zinc/07/00/45/388070045.db2.gz SDDBSULWJHVSMB-VIFPVBQESA-N 1 2 223.320 2.098 10 0 BEAELO CCn1cc[nH+]c1CSC[C@@H]1CCCO1 ZINC000175283158 388428460 /nfs/dbraw/zinc/42/84/60/388428460.db2.gz KMCJOBBUXHMAQS-JTQLQIEISA-N 1 2 226.345 2.315 10 0 BEAELO OCC[C@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000124226985 388661471 /nfs/dbraw/zinc/66/14/71/388661471.db2.gz AQFJVUOQKYOOTI-GFCCVEGCSA-N 1 2 242.322 2.444 10 0 BEAELO CC[C@H]1COCCN1c1ccc([NH3+])cc1C ZINC000036322869 132342308 /nfs/dbraw/zinc/34/23/08/132342308.db2.gz GFUXYQSKFHIVTC-LBPRGKRZSA-N 1 2 220.316 2.192 10 0 BEAELO C[C@H]1CN(c2ccc([NH+](C)C)cc2)CCC1=O ZINC000049693761 132356535 /nfs/dbraw/zinc/35/65/35/132356535.db2.gz DPLYQLOVYBJMPL-NSHDSACASA-N 1 2 232.327 2.168 10 0 BEAELO C[C@@H]1C[C@H](C)CN(c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812193 132387277 /nfs/dbraw/zinc/38/72/77/132387277.db2.gz LKPGQALJBHPCRY-AOOOYVTPSA-N 1 2 249.383 2.198 10 0 BEAELO Cc1cnc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000173541057 134275373 /nfs/dbraw/zinc/27/53/73/134275373.db2.gz MDNAHDUAFCQXLK-NWDGAFQWSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1cnc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)o1 ZINC000173541057 134275374 /nfs/dbraw/zinc/27/53/74/134275374.db2.gz MDNAHDUAFCQXLK-NWDGAFQWSA-N 1 2 236.315 2.126 10 0 BEAELO COC(=O)[C@@H](C)SCc1[nH+]ccn1C(C)C ZINC000177241175 134296708 /nfs/dbraw/zinc/29/67/08/134296708.db2.gz HCMKXHIBRZWESQ-SECBINFHSA-N 1 2 242.344 2.259 10 0 BEAELO COc1ncccc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000220902694 134315218 /nfs/dbraw/zinc/31/52/18/134315218.db2.gz DIUZURYZBMCHGG-JTQLQIEISA-N 1 2 247.298 2.237 10 0 BEAELO C[C@@H]1C[NH+](Cc2cccc(F)c2N)C[C@@H](C)O1 ZINC000156332818 397759107 /nfs/dbraw/zinc/75/91/07/397759107.db2.gz KVIQOGWAUVVXNE-NXEZZACHSA-N 1 2 238.306 2.017 10 0 BEAELO CC/C(=C/c1c[nH+]c2ccccn12)[N+](=O)[O-] ZINC000211602471 398047588 /nfs/dbraw/zinc/04/75/88/398047588.db2.gz RRGQUDMHXJAMDM-CLFYSBASSA-N 1 2 217.228 2.362 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2ccno2)o1 ZINC000219402500 398091937 /nfs/dbraw/zinc/09/19/37/398091937.db2.gz GBKIMSUZORCTOE-SECBINFHSA-N 1 2 206.245 2.427 10 0 BEAELO Brc1ccccc1[C@H]1[NH2+]CCO1 ZINC000071533579 166102589 /nfs/dbraw/zinc/10/25/89/166102589.db2.gz HIOYDESBNOJHQT-VIFPVBQESA-N 1 2 228.089 2.068 10 0 BEAELO Brc1csc(-n2cc[nH+]c2)n1 ZINC000044117439 166106707 /nfs/dbraw/zinc/10/67/07/166106707.db2.gz BKXNJTBXBDQDPL-UHFFFAOYSA-N 1 2 230.090 2.091 10 0 BEAELO CC(C)CCC(=O)Nc1cc[nH+]cc1N ZINC000062725890 166798171 /nfs/dbraw/zinc/79/81/71/166798171.db2.gz LBBBDBCYPWXBOI-UHFFFAOYSA-N 1 2 207.277 2.039 10 0 BEAELO CC(C)CNc1cccc(-n2cc[nH+]c2)n1 ZINC000309537945 167017689 /nfs/dbraw/zinc/01/76/89/167017689.db2.gz DDWKZGQZTWNJGE-UHFFFAOYSA-N 1 2 216.288 2.335 10 0 BEAELO CC(C)Nc1[nH+]c2c(cc1C(N)=S)CCC2 ZINC000043408222 167148884 /nfs/dbraw/zinc/14/88/84/167148884.db2.gz RNAMPIUWXXPFCT-UHFFFAOYSA-N 1 2 235.356 2.025 10 0 BEAELO c1ccc2c(c1)nccc2N1CCCC[NH2+]1 ZINC000400230418 411152136 /nfs/dbraw/zinc/15/21/36/411152136.db2.gz OGONAIATLBKPSH-UHFFFAOYSA-N 1 2 213.284 2.340 10 0 BEAELO CCNc1cc(C(F)(F)F)c[nH+]c1N ZINC000020278242 170171236 /nfs/dbraw/zinc/17/12/36/170171236.db2.gz OMZBTDNSHGJTBS-UHFFFAOYSA-N 1 2 205.183 2.114 10 0 BEAELO CCNc1nc[nH+]c(Nc2ccccc2)c1N ZINC000040707361 170178344 /nfs/dbraw/zinc/17/83/44/170178344.db2.gz IDPBIFPBZAZXRW-UHFFFAOYSA-N 1 2 229.287 2.234 10 0 BEAELO CCNc1[nH+]cnc(Nc2ccccc2)c1N ZINC000040707361 170178346 /nfs/dbraw/zinc/17/83/46/170178346.db2.gz IDPBIFPBZAZXRW-UHFFFAOYSA-N 1 2 229.287 2.234 10 0 BEAELO CCOC(=[NH2+])[C@](C)(O)c1cccc(C)c1 ZINC000039105567 170180066 /nfs/dbraw/zinc/18/00/66/170180066.db2.gz MFZHJJXRKOWQTR-GFCCVEGCSA-N 1 2 207.273 2.216 10 0 BEAELO CCOC(=O)CCCNc1cc[nH+]c(C2CC2)n1 ZINC000110127643 170202841 /nfs/dbraw/zinc/20/28/41/170202841.db2.gz CGTYHQHXUVEVEW-UHFFFAOYSA-N 1 2 249.314 2.109 10 0 BEAELO CCOC(=O)CC[NH2+]c1ccc(OC)c(C)c1 ZINC000049530181 170210392 /nfs/dbraw/zinc/21/03/92/170210392.db2.gz DIIJPYUESYNGJZ-UHFFFAOYSA-N 1 2 237.299 2.369 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1c[nH]c2ccc(C)cc21 ZINC000091691746 170253431 /nfs/dbraw/zinc/25/34/31/170253431.db2.gz AQGQVTZBSWCCQQ-LBPRGKRZSA-N 1 2 232.283 2.039 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000076134585 170254887 /nfs/dbraw/zinc/25/48/87/170254887.db2.gz ILPVIVDXKNXLGF-VIFPVBQESA-N 1 2 231.654 2.042 10 0 BEAELO CCOC(=O)[C@](C)(CCc1ccccc1)[NH2+]C ZINC000037458698 170284388 /nfs/dbraw/zinc/28/43/88/170284388.db2.gz LKEXKXFCOWUNMU-AWEZNQCLSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC/C=C/c1cn2ccccc2[nH+]1 ZINC000089200888 170316730 /nfs/dbraw/zinc/31/67/30/170316730.db2.gz GHJUQRGMJBMTJQ-AATRIKPKSA-N 1 2 202.257 2.384 10 0 BEAELO CCOc1cc(NCc2ccccc2)nc(N)[nH+]1 ZINC000027737611 170526875 /nfs/dbraw/zinc/52/68/75/170526875.db2.gz FEVXRSSBHNWCCS-UHFFFAOYSA-N 1 2 244.298 2.070 10 0 BEAELO CCOc1cc(NCc2ccccc2)[nH+]c(N)n1 ZINC000027737611 170526877 /nfs/dbraw/zinc/52/68/77/170526877.db2.gz FEVXRSSBHNWCCS-UHFFFAOYSA-N 1 2 244.298 2.070 10 0 BEAELO CC[C@@H](C(N)=O)n1c[nH+]c2cc(C)c(C)cc21 ZINC000061679535 170675787 /nfs/dbraw/zinc/67/57/87/170675787.db2.gz XYDOPUVOKVBLOS-NSHDSACASA-N 1 2 231.299 2.090 10 0 BEAELO CC[C@H](C)[NH2+][C@@]1(C(=O)OC)CCc2ccccc21 ZINC000038067039 171347475 /nfs/dbraw/zinc/34/74/75/171347475.db2.gz VNRWUAFCHIMCOR-NHYWBVRUSA-N 1 2 247.338 2.389 10 0 BEAELO CCc1c[nH]c(SCc2[nH+]ccn2CC)n1 ZINC000129134019 171745887 /nfs/dbraw/zinc/74/58/87/171745887.db2.gz WMMNJTSGSMIPLQ-UHFFFAOYSA-N 1 2 236.344 2.481 10 0 BEAELO CCc1[nH+]c2cc(Cl)ccc2n1CCO ZINC000040400981 172011234 /nfs/dbraw/zinc/01/12/34/172011234.db2.gz FOQREXQDMFFBBX-UHFFFAOYSA-N 1 2 224.691 2.244 10 0 BEAELO CCc1nc2n(n1)CCC[C@H]2[NH2+]Cc1ccco1 ZINC000088757766 172014336 /nfs/dbraw/zinc/01/43/36/172014336.db2.gz USDHSUSKYBZFMR-LLVKDONJSA-N 1 2 246.314 2.058 10 0 BEAELO CCn1cc[nH+]c1CN(CC(F)(F)F)C1CC1 ZINC000119127593 172220486 /nfs/dbraw/zinc/22/04/86/172220486.db2.gz NLMXQLBEXVDGPM-UHFFFAOYSA-N 1 2 247.264 2.430 10 0 BEAELO CCn1cc[nH+]c1CNc1cccc(O)c1 ZINC000051921292 172225350 /nfs/dbraw/zinc/22/53/50/172225350.db2.gz WVNXJJVBBVOQBT-UHFFFAOYSA-N 1 2 217.272 2.221 10 0 BEAELO CCn1ccnc1[C@@H]([NH2+]C)c1ccc(C)o1 ZINC000041048704 172229452 /nfs/dbraw/zinc/22/94/52/172229452.db2.gz YZQFUFQLKCCSLC-NSHDSACASA-N 1 2 219.288 2.113 10 0 BEAELO C[N@@H+]1CCCC[C@H]1c1cc(C=O)cnc1F ZINC000039110453 173010381 /nfs/dbraw/zinc/01/03/81/173010381.db2.gz GSLCNECQKZZUSS-NSHDSACASA-N 1 2 222.263 2.190 10 0 BEAELO C[N@H+]1CCCC[C@H]1c1cc(C=O)cnc1F ZINC000039110453 173010382 /nfs/dbraw/zinc/01/03/82/173010382.db2.gz GSLCNECQKZZUSS-NSHDSACASA-N 1 2 222.263 2.190 10 0 BEAELO C[N@@H+]1CCCc2oc(Br)cc2C1 ZINC000082348147 173061952 /nfs/dbraw/zinc/06/19/52/173061952.db2.gz QAQBVBOZVACZCL-UHFFFAOYSA-N 1 2 230.105 2.420 10 0 BEAELO C[N@H+]1CCCc2oc(Br)cc2C1 ZINC000082348147 173061954 /nfs/dbraw/zinc/06/19/54/173061954.db2.gz QAQBVBOZVACZCL-UHFFFAOYSA-N 1 2 230.105 2.420 10 0 BEAELO C[NH2+]Cc1nc(C)c(-c2ccccc2)[nH]1 ZINC000036877281 173394789 /nfs/dbraw/zinc/39/47/89/173394789.db2.gz LGIHGUFKCXSRKG-UHFFFAOYSA-N 1 2 201.273 2.105 10 0 BEAELO C[NH2+]Cc1noc(Cc2cccc(Cl)c2)n1 ZINC000052945617 173399258 /nfs/dbraw/zinc/39/92/58/173399258.db2.gz XAAFRKNFRYABTA-UHFFFAOYSA-N 1 2 237.690 2.033 10 0 BEAELO CNc1cc[nH+]c(CCc2ccccc2)n1 ZINC000050852747 173483873 /nfs/dbraw/zinc/48/38/73/173483873.db2.gz DIEVMSLHMQDENP-UHFFFAOYSA-N 1 2 213.284 2.304 10 0 BEAELO COc1ccc([NH2+]C[C@H]2CCOC2)c(OC)c1 ZINC000019903460 175151354 /nfs/dbraw/zinc/15/13/54/175151354.db2.gz WHQDUNCCOZMUSM-SNVBAGLBSA-N 1 2 237.299 2.152 10 0 BEAELO COc1ccc(Oc2cc[nH+]cc2N)cc1 ZINC000020370654 175173996 /nfs/dbraw/zinc/17/39/96/175173996.db2.gz LOTPHTPBUPBAFO-UHFFFAOYSA-N 1 2 216.240 2.465 10 0 BEAELO COc1cccc(-c2cc(N)nc(C)[nH+]2)c1 ZINC000044262545 175233976 /nfs/dbraw/zinc/23/39/76/175233976.db2.gz KKCYFBSFSAYLOO-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO COc1ccccc1NCCCn1cc[nH+]c1 ZINC000049327590 175338206 /nfs/dbraw/zinc/33/82/06/175338206.db2.gz FLZASDKXOFGERV-UHFFFAOYSA-N 1 2 231.299 2.394 10 0 BEAELO COc1ccccc1Oc1cc[nH+]cc1N ZINC000020370648 175342369 /nfs/dbraw/zinc/34/23/69/175342369.db2.gz VLRTVMXSTYRMFP-UHFFFAOYSA-N 1 2 216.240 2.465 10 0 BEAELO COc1ccccc1[C@H]([NH3+])c1noc(C(C)C)n1 ZINC000036763650 175353024 /nfs/dbraw/zinc/35/30/24/175353024.db2.gz XAHODRWZXQBQBJ-NSHDSACASA-N 1 2 247.298 2.250 10 0 BEAELO COc1c[nH+]cc(OC(C)C)c1OC1CC1 ZINC000095731101 175386792 /nfs/dbraw/zinc/38/67/92/175386792.db2.gz XCEGPKANXKRPPT-UHFFFAOYSA-N 1 2 223.272 2.419 10 0 BEAELO CSCCCCNc1cc(C)[nH+]cn1 ZINC000124705588 175475964 /nfs/dbraw/zinc/47/59/64/175475964.db2.gz VSVPSTBKNGQXKC-UHFFFAOYSA-N 1 2 211.334 2.340 10 0 BEAELO C[C@@H]1CCCC[N@@H+]1CC(=O)c1ccc(O)cc1 ZINC000035036138 176069406 /nfs/dbraw/zinc/06/94/06/176069406.db2.gz RKNXXBKJJKFJBU-LLVKDONJSA-N 1 2 233.311 2.449 10 0 BEAELO C[C@@H]1CCCC[N@H+]1CC(=O)c1ccc(O)cc1 ZINC000035036138 176069408 /nfs/dbraw/zinc/06/94/08/176069408.db2.gz RKNXXBKJJKFJBU-LLVKDONJSA-N 1 2 233.311 2.449 10 0 BEAELO C[C@@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442919 176337661 /nfs/dbraw/zinc/33/76/61/176337661.db2.gz DPOAXCMNZJJMAX-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1COCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050442919 176337662 /nfs/dbraw/zinc/33/76/62/176337662.db2.gz DPOAXCMNZJJMAX-SECBINFHSA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H]1C[C@@H]([NH2+]Cc2ncn[nH]2)CC(C)(C)C1 ZINC000037919058 176377915 /nfs/dbraw/zinc/37/79/15/176377915.db2.gz AVWSJJOLLRCAOM-NXEZZACHSA-N 1 2 222.336 2.109 10 0 BEAELO C[C@H]1CCC[C@H](C(=O)N2CCn3cc[nH+]c3C2)C1 ZINC000336400897 177129206 /nfs/dbraw/zinc/12/92/06/177129206.db2.gz WFBOCDXVJQAXMO-RYUDHWBXSA-N 1 2 247.342 2.052 10 0 BEAELO C[C@H]1C[N@H+](Cc2cc(N)ccc2Cl)CCO1 ZINC000037403002 177260931 /nfs/dbraw/zinc/26/09/31/177260931.db2.gz WGUIAISUPKENAA-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1C[N@@H+](Cc2cc(N)ccc2Cl)CCO1 ZINC000037403002 177260932 /nfs/dbraw/zinc/26/09/32/177260932.db2.gz WGUIAISUPKENAA-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COCC[N@@H+]1Cc1ccc(Cl)cc1N ZINC000050442920 177292743 /nfs/dbraw/zinc/29/27/43/177292743.db2.gz DPOAXCMNZJJMAX-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1COCC[N@H+]1Cc1ccc(Cl)cc1N ZINC000050442920 177292744 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GDLZUUCDPCDTPX-UHFFFAOYSA-N 1 2 216.240 2.084 10 0 BEAELO C[C@@H](O)c1ccc(N(C)Cc2ccco2)[nH+]c1 ZINC000213228942 591455395 /nfs/dbraw/zinc/45/53/95/591455395.db2.gz AVZAVLKQHABFGY-SNVBAGLBSA-N 1 2 232.283 2.364 10 0 BEAELO Cc1nnc([C@H](C)[NH2+]Cc2ccoc2)s1 ZINC000134999876 591968553 /nfs/dbraw/zinc/96/85/53/591968553.db2.gz ZSAGNYVBLLGFCI-ZETCQYMHSA-N 1 2 223.301 2.290 10 0 BEAELO C[C@H](O)c1cccc(OCc2c[nH+]cn2C)c1 ZINC000091278656 631878711 /nfs/dbraw/zinc/87/87/11/631878711.db2.gz WNYAVESIPVXYTJ-JTQLQIEISA-N 1 2 232.283 2.052 10 0 BEAELO Cc1cc(-c2c[nH+]c(N)c(C)c2)sn1 ZINC000306310359 635963280 /nfs/dbraw/zinc/96/32/80/635963280.db2.gz QFVKTILKARAZDH-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO Cc1nccnc1[C@H](C)[NH2+]Cc1ccccn1 ZINC000219075275 635270858 /nfs/dbraw/zinc/27/08/58/635270858.db2.gz FZVDDJSIEGWNCH-NSHDSACASA-N 1 2 228.299 2.031 10 0 BEAELO CC[NH2+]Cc1noc([C@@H]2CCC[C@H]2C)n1 ZINC000225427563 640692030 /nfs/dbraw/zinc/69/20/30/640692030.db2.gz ZPLOWDJDHGGJDM-RKDXNWHRSA-N 1 2 209.293 2.083 10 0 BEAELO C[C@H]1C[NH+](Cc2ccc(O)c(F)c2)C[C@H](C)O1 ZINC000232449585 641271976 /nfs/dbraw/zinc/27/19/76/641271976.db2.gz VYNNIALZARUOMR-UWVGGRQHSA-N 1 2 239.290 2.141 10 0 BEAELO Clc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)nn1 ZINC000706731301 712153128 /nfs/dbraw/zinc/15/31/28/712153128.db2.gz DUEHRKVCJQMDAR-SCZZXKLOSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@H+]2C[C@H]3CCC[C@@H]32)nn1 ZINC000706731301 712153130 /nfs/dbraw/zinc/15/31/30/712153130.db2.gz DUEHRKVCJQMDAR-SCZZXKLOSA-N 1 2 223.707 2.114 10 0 BEAELO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cn(C)nn2)o1 ZINC000715863605 712537590 /nfs/dbraw/zinc/53/75/90/712537590.db2.gz YFVLGIFKRFPGBN-UWVGGRQHSA-N 1 2 234.303 2.128 10 0 BEAELO Cc1ccc(Cn2c[nH+]c(N)c2)cc1C ZINC000685964156 538911117 /nfs/dbraw/zinc/91/11/17/538911117.db2.gz CDZBMSBEKDFLNO-UHFFFAOYSA-N 1 2 201.273 2.130 10 0 BEAELO Nc1cc(CCc2ccc(Cl)cc2)[nH+]cn1 ZINC000257769169 349483797 /nfs/dbraw/zinc/48/37/97/349483797.db2.gz OYJXUBHEDMCEFO-UHFFFAOYSA-N 1 2 233.702 2.497 10 0 BEAELO Cc1cc(C[NH2+][C@H]2COc3ccccc32)no1 ZINC000336464314 178041819 /nfs/dbraw/zinc/04/18/19/178041819.db2.gz CEALHAMMFNZOBM-LBPRGKRZSA-N 1 2 230.267 2.206 10 0 BEAELO Cc1cc(Cn2cccc2C=O)cc[nH+]1 ZINC000307603382 398179312 /nfs/dbraw/zinc/17/93/12/398179312.db2.gz ZSGGGFGHNRUGSF-UHFFFAOYSA-N 1 2 200.241 2.052 10 0 BEAELO Cc1cc(N(C)C[C@@H](O)C2CC2)nc(C(C)C)[nH+]1 ZINC000301668335 178099263 /nfs/dbraw/zinc/09/92/63/178099263.db2.gz PJMTZXRJNHAIFR-GFCCVEGCSA-N 1 2 249.358 2.116 10 0 BEAELO Cc1cc(N)nc(Cc2cccc(F)c2)[nH+]1 ZINC000050845166 178109453 /nfs/dbraw/zinc/10/94/53/178109453.db2.gz HLAGEPFJTGOGHV-UHFFFAOYSA-N 1 2 217.247 2.097 10 0 BEAELO CCC(CC)C(=O)Nc1cc[nH+]cc1N ZINC000062725754 168341805 /nfs/dbraw/zinc/34/18/05/168341805.db2.gz SFRUMQGYSNKPLV-UHFFFAOYSA-N 1 2 207.277 2.039 10 0 BEAELO Cc1nc(CNc2cc(C)[nH+]cn2)c(C)s1 ZINC000301830723 178176497 /nfs/dbraw/zinc/17/64/97/178176497.db2.gz HVZSJYCCCLNPJA-UHFFFAOYSA-N 1 2 234.328 2.470 10 0 BEAELO Cc1noc(CNc2cc(C)[nH+]c(C(C)C)n2)n1 ZINC000038035118 178176771 /nfs/dbraw/zinc/17/67/71/178176771.db2.gz WXLZSURTRHKUTN-UHFFFAOYSA-N 1 2 247.302 2.212 10 0 BEAELO Cc1csc(CNc2cc(C)[nH+]cn2)n1 ZINC000040727388 178177088 /nfs/dbraw/zinc/17/70/88/178177088.db2.gz WWWBFAWYVOBENS-UHFFFAOYSA-N 1 2 220.301 2.162 10 0 BEAELO CC1C[NH+](Cc2coc(Br)c2)C1 ZINC000306642571 361771431 /nfs/dbraw/zinc/77/14/31/361771431.db2.gz UBVBNEWZNCWUFJ-UHFFFAOYSA-N 1 2 230.105 2.494 10 0 BEAELO CCc1ccc([C@H]([NH3+])c2cscn2)o1 ZINC000062357057 398248794 /nfs/dbraw/zinc/24/87/94/398248794.db2.gz AHAKEHRARHMXFB-SNVBAGLBSA-N 1 2 208.286 2.347 10 0 BEAELO Cc1cc([NH2+][C@H](C)C(C)C)ccc1-n1cnnn1 ZINC000037104060 538961755 /nfs/dbraw/zinc/96/17/55/538961755.db2.gz IYHQLWYMNNRNEB-LLVKDONJSA-N 1 2 245.330 2.427 10 0 BEAELO CCOC(=O)[C@@H]1CC=C(c2ccc[nH+]c2N)CC1 ZINC000148207958 342789171 /nfs/dbraw/zinc/78/91/71/342789171.db2.gz AYLMTEUUPBIJTA-LLVKDONJSA-N 1 2 246.310 2.410 10 0 BEAELO Cc1[nH]ncc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000380059459 538984223 /nfs/dbraw/zinc/98/42/23/538984223.db2.gz ZFSJWSOZMNZXLR-ZCFIWIBFSA-N 1 2 215.247 2.166 10 0 BEAELO Cc1ccc(NC2=[NH+]CCCS2)cn1 ZINC000164904531 342855654 /nfs/dbraw/zinc/85/56/54/342855654.db2.gz FXQHYOYOKWQSEC-UHFFFAOYSA-N 1 2 207.302 2.295 10 0 BEAELO CC(C)(C)O[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000134479148 342857779 /nfs/dbraw/zinc/85/77/79/342857779.db2.gz KGKPCLKKIZQYLW-SECBINFHSA-N 1 2 201.310 2.264 10 0 BEAELO [NH3+][C@H](c1cnns1)c1sccc1Cl ZINC000229960094 342860158 /nfs/dbraw/zinc/86/01/58/342860158.db2.gz QHZGWUJBCAZEQU-ZCFIWIBFSA-N 1 2 231.733 2.301 10 0 BEAELO [NH3+][C@@H](c1cnns1)c1sccc1Cl ZINC000229960089 342860335 /nfs/dbraw/zinc/86/03/35/342860335.db2.gz QHZGWUJBCAZEQU-LURJTMIESA-N 1 2 231.733 2.301 10 0 BEAELO C[C@H](CO)Nc1ccc2ccccc2[nH+]1 ZINC000035607001 342889893 /nfs/dbraw/zinc/88/98/93/342889893.db2.gz PKQQHSVUOHBJBO-SECBINFHSA-N 1 2 202.257 2.028 10 0 BEAELO Cn1ccnc1C[NH2+]Cc1ccccc1Cl ZINC000036804573 343324649 /nfs/dbraw/zinc/32/46/49/343324649.db2.gz ZDYSAOWPROFKFY-UHFFFAOYSA-N 1 2 235.718 2.363 10 0 BEAELO COc1cc(F)ccc1NCc1[nH+]ccn1C ZINC000049567181 343603299 /nfs/dbraw/zinc/60/32/99/343603299.db2.gz GICFKXGMEXGDFD-UHFFFAOYSA-N 1 2 235.262 2.180 10 0 BEAELO Nc1ccc(N2CCC[C@H]2c2cccnc2)[nH+]c1 ZINC000036132040 343681796 /nfs/dbraw/zinc/68/17/96/343681796.db2.gz FFJVZYDOEAHLMP-ZDUSSCGKSA-N 1 2 240.310 2.400 10 0 BEAELO F[C@H]1C[NH2+][C@H](c2nc(C3CCCC3)no2)C1 ZINC000409423398 343815322 /nfs/dbraw/zinc/81/53/22/343815322.db2.gz NZDTWGJVZPFTEM-BDAKNGLRSA-N 1 2 225.267 2.100 10 0 BEAELO COC(=[NH2+])c1cc(-c2ccsc2)n[nH]1 ZINC000409443723 343862806 /nfs/dbraw/zinc/86/28/06/343862806.db2.gz SLBIZEMAIMOWSL-UHFFFAOYSA-N 1 2 207.258 2.110 10 0 BEAELO Cc1nc(N)cc([C@H](C)c2ccccc2)[nH+]1 ZINC000575621823 343870353 /nfs/dbraw/zinc/87/03/53/343870353.db2.gz BJWMHRKXYKRZQQ-SECBINFHSA-N 1 2 213.284 2.349 10 0 BEAELO CCC[C@H]([NH2+]C1CSC1)C(=O)OC(C)(C)C ZINC000393741268 343921571 /nfs/dbraw/zinc/92/15/71/343921571.db2.gz HEWIMKYWGDJLHY-JTQLQIEISA-N 1 2 245.388 2.202 10 0 BEAELO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268353 537847855 /nfs/dbraw/zinc/84/78/55/537847855.db2.gz RCVJWXRCFCWNFE-USWWRNFRSA-N 1 2 234.347 2.424 10 0 BEAELO Cc1nc(-n2cc[nH+]c2)ccc1Br ZINC000228799470 345398548 /nfs/dbraw/zinc/39/85/48/345398548.db2.gz WQABTXDWLLLNAG-UHFFFAOYSA-N 1 2 238.088 2.338 10 0 BEAELO Cc1nc2[nH]ccc2c(N[C@H]2C[C@H]2C)[nH+]1 ZINC000080979042 345457450 /nfs/dbraw/zinc/45/74/50/345457450.db2.gz PCRXIIOXNSIBPN-MUWHJKNJSA-N 1 2 202.261 2.087 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1ccccc1OC ZINC000221533007 345736692 /nfs/dbraw/zinc/73/66/92/345736692.db2.gz XNHJLVZQTQAVEB-GFCCVEGCSA-N 1 2 221.300 2.088 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1ccccc1OC ZINC000221533007 345736696 /nfs/dbraw/zinc/73/66/96/345736696.db2.gz XNHJLVZQTQAVEB-GFCCVEGCSA-N 1 2 221.300 2.088 10 0 BEAELO CN(C)c1nc(C2CCCCC2)[nH+]c(N(C)C)n1 ZINC000033754968 345809511 /nfs/dbraw/zinc/80/95/11/345809511.db2.gz KNQCWLOWGVWBOZ-UHFFFAOYSA-N 1 2 249.362 2.051 10 0 BEAELO O=C1CCc2cc(Cn3cc[nH+]c3)ccc21 ZINC000034383853 345825064 /nfs/dbraw/zinc/82/50/64/345825064.db2.gz OOZNVXOYRBTUDO-UHFFFAOYSA-N 1 2 212.252 2.060 10 0 BEAELO CCCN(CCC)c1cc(NC)[nH+]cn1 ZINC000087806266 345942164 /nfs/dbraw/zinc/94/21/64/345942164.db2.gz GIQPUNORGHCNLF-UHFFFAOYSA-N 1 2 208.309 2.145 10 0 BEAELO CCCN(CCC)c1cc(NC)nc[nH+]1 ZINC000087806266 345942167 /nfs/dbraw/zinc/94/21/67/345942167.db2.gz GIQPUNORGHCNLF-UHFFFAOYSA-N 1 2 208.309 2.145 10 0 BEAELO COC(=O)c1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000166331652 346672470 /nfs/dbraw/zinc/67/24/70/346672470.db2.gz CJMGTCKMVZDEBH-UHFFFAOYSA-N 1 2 244.250 2.243 10 0 BEAELO Cc1cccc(OCCCn2cc[nH+]c2)c1N ZINC000049326965 179166300 /nfs/dbraw/zinc/16/63/00/179166300.db2.gz BCRKMVDDIZRLEP-UHFFFAOYSA-N 1 2 231.299 2.243 10 0 BEAELO CCOP(=O)(OCC)C([N+]#N)C(=O)OC ZINC000038879787 347169641 /nfs/dbraw/zinc/16/96/41/347169641.db2.gz LLRDVNFNPAGTSW-UHFFFAOYSA-O 1 2 237.172 2.437 10 0 BEAELO Cc1cccc(Oc2nccnc2C(N)=[NH2+])c1C ZINC000054380633 179176216 /nfs/dbraw/zinc/17/62/16/179176216.db2.gz DTFAJVWGRATOGG-UHFFFAOYSA-N 1 2 242.282 2.170 10 0 BEAELO CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC000138277115 347368005 /nfs/dbraw/zinc/36/80/05/347368005.db2.gz BFQQCYSPWIXGQG-STQMWFEESA-N 1 2 233.311 2.085 10 0 BEAELO CC[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1[nH]cc[nH+]1 ZINC000252981637 347831092 /nfs/dbraw/zinc/83/10/92/347831092.db2.gz RZMLXMLAGFMNDF-LMLFDSFASA-N 1 2 233.315 2.023 10 0 BEAELO Cc1cn(-c2ccc(Cl)c(N)c2)c[nH+]1 ZINC000082656009 179557745 /nfs/dbraw/zinc/55/77/45/179557745.db2.gz QZUXPIXXCIQGKW-UHFFFAOYSA-N 1 2 207.664 2.416 10 0 BEAELO Cc1nc([C@H](C)[NH2+]Cc2cn[nH]c2)cs1 ZINC000038006218 180050475 /nfs/dbraw/zinc/05/04/75/180050475.db2.gz IEDQGBGOLADVPR-ZETCQYMHSA-N 1 2 222.317 2.025 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1ccccc1F ZINC000054793824 180122029 /nfs/dbraw/zinc/12/20/29/180122029.db2.gz CFJARUNUTCRNKA-UHFFFAOYSA-N 1 2 205.236 2.469 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1cnn(C(C)C)c1 ZINC000061683186 180122104 /nfs/dbraw/zinc/12/21/04/180122104.db2.gz QHJHHPPELZAKIW-UHFFFAOYSA-N 1 2 219.292 2.108 10 0 BEAELO Cc1[nH+]cn(-c2ccc(C(N)=S)cc2F)c1C ZINC000051927020 180285103 /nfs/dbraw/zinc/28/51/03/180285103.db2.gz SPVGSHMCFUZRTK-UHFFFAOYSA-N 1 2 249.314 2.262 10 0 BEAELO CC[C@H]1SCCS[C@@H]1C(=[NH2+])OC ZINC000228173820 350532083 /nfs/dbraw/zinc/53/20/83/350532083.db2.gz WBEYZNYVBNRVRC-RQJHMYQMSA-N 1 2 205.348 2.237 10 0 BEAELO CC[N@@H+]1CCO[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616602419 350791790 /nfs/dbraw/zinc/79/17/90/350791790.db2.gz JUSKAPYIWCRSHO-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO CC[N@H+]1CCO[C@@H](c2ccccc2NC(C)=O)C1 ZINC000616602419 350791791 /nfs/dbraw/zinc/79/17/91/350791791.db2.gz JUSKAPYIWCRSHO-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO CC(C)(C)C[C@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000725267916 538099332 /nfs/dbraw/zinc/09/93/32/538099332.db2.gz BYYSOWRDOIFWTN-CHWSQXEVSA-N 1 2 234.343 2.403 10 0 BEAELO c1[nH]nnc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607308 350799990 /nfs/dbraw/zinc/79/99/90/350799990.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO c1[nH]nnc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607308 350799993 /nfs/dbraw/zinc/79/99/93/350799993.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO c1nn[nH]c1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607308 350799995 /nfs/dbraw/zinc/79/99/95/350799995.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO c1nn[nH]c1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607308 350799999 /nfs/dbraw/zinc/79/99/99/350799999.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO c1n[nH]nc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607308 350800004 /nfs/dbraw/zinc/80/00/04/350800004.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO c1n[nH]nc1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607308 350800008 /nfs/dbraw/zinc/80/00/08/350800008.db2.gz PNIAEJQLVCHZQK-CYBMUJFWSA-N 1 2 228.299 2.142 10 0 BEAELO Cc1csc([C@H]2[NH2+]C[C@@H](C)CS2)n1 ZINC000159622255 350955802 /nfs/dbraw/zinc/95/58/02/350955802.db2.gz VMIMEBGSCXAOSD-SVRRBLITSA-N 1 2 214.359 2.423 10 0 BEAELO CCOC(=O)N1CCCC[C@H](c2c[nH+]c[nH]2)C1 ZINC000616630407 351102419 /nfs/dbraw/zinc/10/24/19/351102419.db2.gz XIYNRXFYCLSGNY-JTQLQIEISA-N 1 2 237.303 2.136 10 0 BEAELO CCOC(=O)N1CCCC[C@H](c2c[nH]c[nH+]2)C1 ZINC000616630407 351102420 /nfs/dbraw/zinc/10/24/20/351102420.db2.gz XIYNRXFYCLSGNY-JTQLQIEISA-N 1 2 237.303 2.136 10 0 BEAELO COC(=O)N1CCCCC[C@@H]1c1[nH]cc[nH+]1 ZINC000616622713 351085004 /nfs/dbraw/zinc/08/50/04/351085004.db2.gz OKKJEYOOLNRERY-SECBINFHSA-N 1 2 223.276 2.093 10 0 BEAELO Cc1cnc([C@H]2[NH2+]CCCS2)s1 ZINC000306817751 351086719 /nfs/dbraw/zinc/08/67/19/351086719.db2.gz DSSGXXCGOUMVMO-ZETCQYMHSA-N 1 2 200.332 2.177 10 0 BEAELO Brc1c[nH+]ccc1-n1cccn1 ZINC000159968170 351146875 /nfs/dbraw/zinc/14/68/75/351146875.db2.gz DLTXVEALMBPMJA-UHFFFAOYSA-N 1 2 224.061 2.030 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1nccc2ccccc21 ZINC000616641217 351148086 /nfs/dbraw/zinc/14/80/86/351148086.db2.gz FSDYGWGDNJOGMQ-ZDUSSCGKSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1nccc2ccccc21 ZINC000616641217 351148089 /nfs/dbraw/zinc/14/80/89/351148089.db2.gz FSDYGWGDNJOGMQ-ZDUSSCGKSA-N 1 2 228.295 2.238 10 0 BEAELO c1ncc([C@H]2C[N@H+](Cc3ccccc3)CCO2)o1 ZINC000616644004 351159997 /nfs/dbraw/zinc/15/99/97/351159997.db2.gz AJDAZHURXLVEMT-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO c1ncc([C@H]2C[N@@H+](Cc3ccccc3)CCO2)o1 ZINC000616644004 351159998 /nfs/dbraw/zinc/15/99/98/351159998.db2.gz AJDAZHURXLVEMT-CQSZACIVSA-N 1 2 244.294 2.248 10 0 BEAELO CCOC(=O)N1CCCC[C@@H](n2cc[nH+]c2)C1 ZINC000616655399 351193039 /nfs/dbraw/zinc/19/30/39/351193039.db2.gz VXVUZFVZNSZOLC-LLVKDONJSA-N 1 2 237.303 2.067 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616637549 351134156 /nfs/dbraw/zinc/13/41/56/351134156.db2.gz NOKGROJQGLUIED-LLVKDONJSA-N 1 2 211.692 2.343 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1cccc(Cl)c1 ZINC000616637549 351134160 /nfs/dbraw/zinc/13/41/60/351134160.db2.gz NOKGROJQGLUIED-LLVKDONJSA-N 1 2 211.692 2.343 10 0 BEAELO C[N@@H+]1CCc2ccccc2[C@@H]1c1ncccn1 ZINC000616677001 351241704 /nfs/dbraw/zinc/24/17/04/351241704.db2.gz DVBNJGJKVMMBCZ-CYBMUJFWSA-N 1 2 225.295 2.054 10 0 BEAELO C[N@H+]1CCc2ccccc2[C@@H]1c1ncccn1 ZINC000616677001 351241706 /nfs/dbraw/zinc/24/17/06/351241706.db2.gz DVBNJGJKVMMBCZ-CYBMUJFWSA-N 1 2 225.295 2.054 10 0 BEAELO CC[N@@H+]1CCc2ccccc2[C@H]1c1conn1 ZINC000616679245 351250190 /nfs/dbraw/zinc/25/01/90/351250190.db2.gz MPPBLWNGPKMWQR-ZDUSSCGKSA-N 1 2 229.283 2.037 10 0 BEAELO CC[N@H+]1CCc2ccccc2[C@H]1c1conn1 ZINC000616679245 351250192 /nfs/dbraw/zinc/25/01/92/351250192.db2.gz MPPBLWNGPKMWQR-ZDUSSCGKSA-N 1 2 229.283 2.037 10 0 BEAELO CN1c2ccccc2NC[C@H]1c1c[nH+]c[nH]1 ZINC000616686752 351256568 /nfs/dbraw/zinc/25/65/68/351256568.db2.gz RLAJQGVCKHAACB-LBPRGKRZSA-N 1 2 214.272 2.013 10 0 BEAELO CN1c2ccccc2NC[C@H]1c1c[nH]c[nH+]1 ZINC000616686752 351256569 /nfs/dbraw/zinc/25/65/69/351256569.db2.gz RLAJQGVCKHAACB-LBPRGKRZSA-N 1 2 214.272 2.013 10 0 BEAELO Cc1ccc(C(=O)C[NH+](C)C)c(F)c1F ZINC000228813117 351400796 /nfs/dbraw/zinc/40/07/96/351400796.db2.gz MDHNVXDDZNPSGP-UHFFFAOYSA-N 1 2 213.227 2.018 10 0 BEAELO C[C@@H]1CC[NH2+][C@H](c2ccns2)S1 ZINC000404432753 351448587 /nfs/dbraw/zinc/44/85/87/351448587.db2.gz CCAPSRDGCTYCPD-SVRRBLITSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@H]1CC[NH2+][C@H](c2ccns2)S1 ZINC000404432762 351448645 /nfs/dbraw/zinc/44/86/45/351448645.db2.gz CCAPSRDGCTYCPD-XPUUQOCRSA-N 1 2 200.332 2.257 10 0 BEAELO Cc1cc([C@@H]2[NH2+]C[C@H](C)CS2)sn1 ZINC000404439533 351449974 /nfs/dbraw/zinc/44/99/74/351449974.db2.gz IUBFSTJIPUHWGZ-IMTBSYHQSA-N 1 2 214.359 2.423 10 0 BEAELO Cc1cc([C@H]2[NH2+]C[C@H](C)CS2)sn1 ZINC000404439535 351450109 /nfs/dbraw/zinc/45/01/09/351450109.db2.gz IUBFSTJIPUHWGZ-RCOVLWMOSA-N 1 2 214.359 2.423 10 0 BEAELO Cc1[nH+]cccc1Cn1ccc(C=O)c1 ZINC000307216956 351616740 /nfs/dbraw/zinc/61/67/40/351616740.db2.gz BYOQGAQAPJGCID-UHFFFAOYSA-N 1 2 200.241 2.052 10 0 BEAELO CC(C)Oc1cc(N)[nH+]cc1Br ZINC000307363978 352448274 /nfs/dbraw/zinc/44/82/74/352448274.db2.gz IBQSBJWGTNPLQI-UHFFFAOYSA-N 1 2 231.093 2.214 10 0 BEAELO CC(C)Oc1cc(-n2cc[nH+]c2)ccc1N ZINC000133869973 352626736 /nfs/dbraw/zinc/62/67/36/352626736.db2.gz KXPZFNOYCZEIEC-UHFFFAOYSA-N 1 2 217.272 2.242 10 0 BEAELO CC(=O)c1cccc(F)c1-n1cc[nH+]c1 ZINC000232593479 353141186 /nfs/dbraw/zinc/14/11/86/353141186.db2.gz NUJDWGBBTUITHU-UHFFFAOYSA-N 1 2 204.204 2.214 10 0 BEAELO COc1ccc([C@H](C)[NH+]2CCC(=O)CC2)cc1 ZINC000019728829 188107895 /nfs/dbraw/zinc/10/78/95/188107895.db2.gz OSVMGBWJDTYHNU-NSHDSACASA-N 1 2 233.311 2.421 10 0 BEAELO Nc1ccc(SCc2ccncc2)c[nH+]1 ZINC000037192699 188106059 /nfs/dbraw/zinc/10/60/59/188106059.db2.gz FZWYOIAVWMFSGY-UHFFFAOYSA-N 1 2 217.297 2.351 10 0 BEAELO CC(C)(C)[N@@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000057599264 188127969 /nfs/dbraw/zinc/12/79/69/188127969.db2.gz JERBWURCWWHQBK-CHWSQXEVSA-N 1 2 235.327 2.177 10 0 BEAELO CC(C)(C)[N@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000057599264 188127970 /nfs/dbraw/zinc/12/79/70/188127970.db2.gz JERBWURCWWHQBK-CHWSQXEVSA-N 1 2 235.327 2.177 10 0 BEAELO C1CC1[N@@H+]1CCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000329572842 188226426 /nfs/dbraw/zinc/22/64/26/188226426.db2.gz JGUFPMHJUJPZSZ-GHMZBOCLSA-N 1 2 249.314 2.220 10 0 BEAELO C1CC1[N@H+]1CCC[C@@H]1c1nc([C@H]2CCCO2)no1 ZINC000329572842 188226427 /nfs/dbraw/zinc/22/64/27/188226427.db2.gz JGUFPMHJUJPZSZ-GHMZBOCLSA-N 1 2 249.314 2.220 10 0 BEAELO Nc1ccc(-c2csc(C=O)c2)c[nH+]1 ZINC000095495501 353569265 /nfs/dbraw/zinc/56/92/65/353569265.db2.gz ODKLBPDOGYRUEU-UHFFFAOYSA-N 1 2 204.254 2.205 10 0 BEAELO COc1cncc(C[NH2+][C@@H](C)c2ncc(C)o2)c1 ZINC000343776168 353986058 /nfs/dbraw/zinc/98/60/58/353986058.db2.gz CUELHRFMTJRGQH-JTQLQIEISA-N 1 2 247.298 2.237 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2cc[nH]c2)o1 ZINC000231529370 363345038 /nfs/dbraw/zinc/34/50/38/363345038.db2.gz UVVHPZNGUCBGES-VIFPVBQESA-N 1 2 205.261 2.162 10 0 BEAELO CCC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000059495152 355311013 /nfs/dbraw/zinc/31/10/13/355311013.db2.gz BFBBFDGNHKNWPJ-UHFFFAOYSA-N 1 2 200.241 2.465 10 0 BEAELO C[NH+](C)Cc1nc(Cl)c2c(n1)CCCC2 ZINC000085792346 538546764 /nfs/dbraw/zinc/54/67/64/538546764.db2.gz KICMEZTWXDGVKJ-UHFFFAOYSA-N 1 2 225.723 2.070 10 0 BEAELO COc1cc2c(cc1OC)C[C@H](C1CC1)[NH+]=C2 ZINC000584606206 358265562 /nfs/dbraw/zinc/26/55/62/358265562.db2.gz NLUFHWDDSZWSSA-GFCCVEGCSA-N 1 2 231.295 2.457 10 0 BEAELO Cc1nc([C@@H](C)[NH2+]Cc2ccno2)cs1 ZINC000230639731 491130447 /nfs/dbraw/zinc/13/04/47/491130447.db2.gz MKWYMHNMRAFWKI-SSDOTTSWSA-N 1 2 223.301 2.290 10 0 BEAELO CC(C)Cn1cc[nH+]c1CNC(=O)c1ccco1 ZINC000130886936 358651586 /nfs/dbraw/zinc/65/15/86/358651586.db2.gz PUXLJUDQNOWWKR-UHFFFAOYSA-N 1 2 247.298 2.062 10 0 BEAELO CC[C@H](C)C[S@@](=O)Cc1[nH+]ccn1CC ZINC000133723270 358766183 /nfs/dbraw/zinc/76/61/83/358766183.db2.gz SFNLSPLKACNRMV-BONVTDFDSA-N 1 2 228.361 2.198 10 0 BEAELO CC[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C(=O)OC ZINC000134973314 358813659 /nfs/dbraw/zinc/81/36/59/358813659.db2.gz OTOJEOINIMJWSJ-AGIUHOORSA-N 1 2 233.311 2.084 10 0 BEAELO COc1ccc([C@H](C)[NH2+]Cc2c[nH]cn2)cc1F ZINC000054764735 358872848 /nfs/dbraw/zinc/87/28/48/358872848.db2.gz ZJIPNBGOYXAFSZ-VIFPVBQESA-N 1 2 249.289 2.408 10 0 BEAELO CCc1cc(N[C@H]2CCCC[C@H]2CO)nc[nH+]1 ZINC000231143431 358994514 /nfs/dbraw/zinc/99/45/14/358994514.db2.gz DNMHXLKJZCPWGI-JQWIXIFHSA-N 1 2 235.331 2.002 10 0 BEAELO O=C1CCC[C@H]1CC[N@H+]1CCC(F)(F)C1 ZINC000306189246 359005574 /nfs/dbraw/zinc/00/55/74/359005574.db2.gz IQQPWUKCFICEGF-VIFPVBQESA-N 1 2 217.259 2.087 10 0 BEAELO O=C1CCC[C@H]1CC[N@@H+]1CCC(F)(F)C1 ZINC000306189246 359005576 /nfs/dbraw/zinc/00/55/76/359005576.db2.gz IQQPWUKCFICEGF-VIFPVBQESA-N 1 2 217.259 2.087 10 0 BEAELO Cc1ccc(N[C@@H](C)CCCCO)c[nH+]1 ZINC000309005411 491142147 /nfs/dbraw/zinc/14/21/47/491142147.db2.gz PQHQPZUGBCGRAQ-NSHDSACASA-N 1 2 208.305 2.353 10 0 BEAELO [NH3+][C@@H](c1ncon1)c1cccc(C(F)(F)F)c1 ZINC000036762055 359673560 /nfs/dbraw/zinc/67/35/60/359673560.db2.gz LUWPSGCEORCLKL-MRVPVSSYSA-N 1 2 243.188 2.137 10 0 BEAELO Brc1cnccc1-c1[nH]cc[nH+]1 ZINC000237972532 360208866 /nfs/dbraw/zinc/20/88/66/360208866.db2.gz CGUVZTHLTYGERJ-UHFFFAOYSA-N 1 2 224.061 2.234 10 0 BEAELO c1coc([C@H]([NH2+]C2COC2)c2ccccc2)c1 ZINC000094709949 360315887 /nfs/dbraw/zinc/31/58/87/360315887.db2.gz SSZCFEDKDLYSIN-CQSZACIVSA-N 1 2 229.279 2.357 10 0 BEAELO Cc1ncc([C@H]2[NH2+]CCCS2)s1 ZINC000306528647 360378265 /nfs/dbraw/zinc/37/82/65/360378265.db2.gz HJJRKRANSUGZFV-QMMMGPOBSA-N 1 2 200.332 2.177 10 0 BEAELO [NH3+][C@@H](c1ccns1)c1ccc(Cl)cn1 ZINC000306582812 360483632 /nfs/dbraw/zinc/48/36/32/360483632.db2.gz PJELPKJWIGFWKS-SECBINFHSA-N 1 2 225.704 2.240 10 0 BEAELO CCc1cnc([C@@H]2[NH2+][C@@H](C)CS2)s1 ZINC000306596543 360518294 /nfs/dbraw/zinc/51/82/94/360518294.db2.gz MPKYVTJGEJXCGH-IMTBSYHQSA-N 1 2 214.359 2.429 10 0 BEAELO NC(=S)c1cc(NC2CCCC2)cc[nH+]1 ZINC000061811818 181320359 /nfs/dbraw/zinc/32/03/59/181320359.db2.gz QUOJENOXDOLROQ-UHFFFAOYSA-N 1 2 221.329 2.070 10 0 BEAELO NC(=S)c1ccc[nH+]c1NC1CCCCC1 ZINC000019805522 181322057 /nfs/dbraw/zinc/32/20/57/181322057.db2.gz LPRXTBJSXRADIF-UHFFFAOYSA-N 1 2 235.356 2.460 10 0 BEAELO CC1CCC(CC[N@@H+]2CCC(=O)C2)CC1 ZINC000070532654 361532705 /nfs/dbraw/zinc/53/27/05/361532705.db2.gz BSDSKLDJVHCKTN-UHFFFAOYSA-N 1 2 209.333 2.478 10 0 BEAELO CC1CCC(CC[N@H+]2CCC(=O)C2)CC1 ZINC000070532654 361532709 /nfs/dbraw/zinc/53/27/09/361532709.db2.gz BSDSKLDJVHCKTN-UHFFFAOYSA-N 1 2 209.333 2.478 10 0 BEAELO Fc1cccc(Cl)c1C[NH2+]Cc1cn[nH]c1 ZINC000038005822 361658829 /nfs/dbraw/zinc/65/88/29/361658829.db2.gz HISGOLBYSHBWCE-UHFFFAOYSA-N 1 2 239.681 2.492 10 0 BEAELO CCC(C)(C)[C@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000725268690 541338236 /nfs/dbraw/zinc/33/82/36/541338236.db2.gz YIXJRVSOJXBPBZ-STQMWFEESA-N 1 2 234.343 2.403 10 0 BEAELO [NH3+]CC1(Cc2nc(=S)o[nH]2)CCCCC1 ZINC000029041568 181360920 /nfs/dbraw/zinc/36/09/20/181360920.db2.gz NISSXCGKGSMLOH-UHFFFAOYSA-N 1 2 227.333 2.184 10 0 BEAELO CC(C)n1cc[nH+]c1CN1[C@H](C)COC[C@@H]1C ZINC000172668905 365368417 /nfs/dbraw/zinc/36/84/17/365368417.db2.gz OZWOMXBDGOFGLZ-TXEJJXNPSA-N 1 2 237.347 2.073 10 0 BEAELO CC[C@H]1CS[C@@H](c2nccs2)[NH2+]1 ZINC000161614288 370605633 /nfs/dbraw/zinc/60/56/33/370605633.db2.gz PQLBZDSSTTXUDA-XPUUQOCRSA-N 1 2 200.332 2.257 10 0 BEAELO [NH3+][C@@H](c1nc2ncccc2o1)c1ccccc1 ZINC000082540051 181633728 /nfs/dbraw/zinc/63/37/28/181633728.db2.gz BOBCSKSGKSHXRL-LLVKDONJSA-N 1 2 225.251 2.271 10 0 BEAELO Nc1cc(CN2CCc3ccccc32)cc[nH+]1 ZINC000052709612 181682231 /nfs/dbraw/zinc/68/22/31/181682231.db2.gz HBACSLLSAMCNDD-UHFFFAOYSA-N 1 2 225.295 2.227 10 0 BEAELO CC1(C)CS[C@@H](c2cscn2)[NH2+]1 ZINC000126800420 371551733 /nfs/dbraw/zinc/55/17/33/371551733.db2.gz HYVHVQXIPZHZDR-ZETCQYMHSA-N 1 2 200.332 2.257 10 0 BEAELO Nc1cccc(Br)c1-n1cc[nH+]c1 ZINC000217066185 371879199 /nfs/dbraw/zinc/87/91/99/371879199.db2.gz PXNNVUIJKUUUED-UHFFFAOYSA-N 1 2 238.088 2.217 10 0 BEAELO CC[C@@]([NH3+])(c1ccc(F)cn1)C(F)F ZINC000163222725 371954882 /nfs/dbraw/zinc/95/48/82/371954882.db2.gz BLNIVSUAYSRRCV-SECBINFHSA-N 1 2 204.195 2.050 10 0 BEAELO O=C(Cc1[nH]cc[nH+]1)c1cc(F)c(F)c(F)c1 ZINC000063005168 182061999 /nfs/dbraw/zinc/06/19/99/182061999.db2.gz OCGOHHUYQVGIOC-UHFFFAOYSA-N 1 2 240.184 2.252 10 0 BEAELO O=C(Cn1cc[nH+]c1)c1ccc2c(c1)CCC2 ZINC000037340531 182071867 /nfs/dbraw/zinc/07/18/67/182071867.db2.gz CBRAOPGHWYRTAI-UHFFFAOYSA-N 1 2 226.279 2.255 10 0 BEAELO O=c1ccc2cc(Cn3cc[nH+]c3)ccc2o1 ZINC000013586719 183001473 /nfs/dbraw/zinc/00/14/73/183001473.db2.gz IYELJSUQTAUCCY-UHFFFAOYSA-N 1 2 226.235 2.038 10 0 in-vivo BEAELO OC[C@@H](Nc1cccc[nH+]1)c1ccc(F)cc1 ZINC000091362120 183111438 /nfs/dbraw/zinc/11/14/38/183111438.db2.gz YWKPGCMQTYETSP-GFCCVEGCSA-N 1 2 232.258 2.366 10 0 BEAELO OC[C@@H]1C[C@H]1Nc1ccc2ccccc2[nH+]1 ZINC000334242325 183131395 /nfs/dbraw/zinc/13/13/95/183131395.db2.gz OKOSEIDDFGKYFJ-CMPLNLGQSA-N 1 2 214.268 2.028 10 0 BEAELO Oc1cccc2ccc(-n3cc[nH+]c3)nc12 ZINC000090715122 183298045 /nfs/dbraw/zinc/29/80/45/183298045.db2.gz CBLVNNMUFIFWCW-UHFFFAOYSA-N 1 2 211.224 2.126 10 0 BEAELO CCC[NH2+][C@H](c1cncc(F)c1)c1ncccn1 ZINC000049576454 169290877 /nfs/dbraw/zinc/29/08/77/169290877.db2.gz WZBWJRMTRWESSA-GFCCVEGCSA-N 1 2 246.289 2.100 10 0 BEAELO CCCNc1ccc(Cn2cc(C)cn2)c[nH+]1 ZINC000050829627 169294643 /nfs/dbraw/zinc/29/46/43/169294643.db2.gz JZHSJIDRAZVJRJ-UHFFFAOYSA-N 1 2 230.315 2.457 10 0 BEAELO CCC[C@@H](C)C(=O)Nc1cc[nH+]cc1N ZINC000062725888 169353075 /nfs/dbraw/zinc/35/30/75/169353075.db2.gz NANCURRHWBIZMD-MRVPVSSYSA-N 1 2 207.277 2.039 10 0 BEAELO CCC[C@@H](C)Nc1cc(C(N)=S)cc[nH+]1 ZINC000019505681 169371377 /nfs/dbraw/zinc/37/13/77/169371377.db2.gz KMYUDYZWKHNRNU-MRVPVSSYSA-N 1 2 223.345 2.316 10 0 BEAELO Cc1csc(C[NH+]2[C@H](C)COC[C@H]2C)n1 ZINC000088601510 383915574 /nfs/dbraw/zinc/91/55/74/383915574.db2.gz WVZCOCDEICJDJH-NXEZZACHSA-N 1 2 226.345 2.061 10 0 BEAELO CC[C@@H](C)[C@H](O)CNc1cc[nH+]c(C2CC2)n1 ZINC000112334241 383915985 /nfs/dbraw/zinc/91/59/85/383915985.db2.gz WNKYJGRBWSJRJU-MWLCHTKSSA-N 1 2 235.331 2.173 10 0 BEAELO Cc1nnc([C@@H](C)[N@@H+]2CCS[C@@H](C)C2)s1 ZINC000335852592 384012557 /nfs/dbraw/zinc/01/25/57/384012557.db2.gz UHHQLHSAIFBNHZ-JGVFFNPUSA-N 1 2 243.401 2.345 10 0 BEAELO Cc1nnc([C@@H](C)[N@H+]2CCS[C@@H](C)C2)s1 ZINC000335852592 384012559 /nfs/dbraw/zinc/01/25/59/384012559.db2.gz UHHQLHSAIFBNHZ-JGVFFNPUSA-N 1 2 243.401 2.345 10 0 BEAELO C[N@H+](CCOc1ccccc1F)Cc1cc[nH]n1 ZINC000114461017 384038214 /nfs/dbraw/zinc/03/82/14/384038214.db2.gz PXXONPZJIFEPBV-UHFFFAOYSA-N 1 2 249.289 2.060 10 0 BEAELO C[N@@H+](CCOc1ccccc1F)Cc1cc[nH]n1 ZINC000114461017 384038219 /nfs/dbraw/zinc/03/82/19/384038219.db2.gz PXXONPZJIFEPBV-UHFFFAOYSA-N 1 2 249.289 2.060 10 0 BEAELO O=C1CCCc2cc(-n3cc[nH+]c3)ccc21 ZINC000091366481 384124063 /nfs/dbraw/zinc/12/40/63/384124063.db2.gz RABNURMUMQKOFP-UHFFFAOYSA-N 1 2 212.252 2.391 10 0 BEAELO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309754873 384171556 /nfs/dbraw/zinc/17/15/56/384171556.db2.gz HJFAZQBRCUFAIE-MWLCHTKSSA-N 1 2 237.372 2.271 10 0 BEAELO CCn1cc[nH+]c1Cn1cnc2ccccc21 ZINC000168689547 384295531 /nfs/dbraw/zinc/29/55/31/384295531.db2.gz XGPCKNUGUXUBHH-UHFFFAOYSA-N 1 2 226.283 2.301 10 0 BEAELO CC[C@H]([NH2+][C@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974207 384404154 /nfs/dbraw/zinc/40/41/54/384404154.db2.gz BDRVDOLXPHAMQB-KBPBESRZSA-N 1 2 247.338 2.085 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000121332308 384412112 /nfs/dbraw/zinc/41/21/12/384412112.db2.gz FYWXCVUGEQKDGS-JQWIXIFHSA-N 1 2 249.314 2.079 10 0 BEAELO O=Cc1c[nH]c2[nH+]ccc(N3CCCCC3)c12 ZINC000095938272 384417031 /nfs/dbraw/zinc/41/70/31/384417031.db2.gz ZXHHNBDBFAOBBK-UHFFFAOYSA-N 1 2 229.283 2.366 10 0 BEAELO COC(=O)[C@@H]1CC[C@@H](c2ccc(C)cc2)C[NH2+]1 ZINC000079026377 384479501 /nfs/dbraw/zinc/47/95/01/384479501.db2.gz YRQYNUYPGNPAHW-OLZOCXBDSA-N 1 2 233.311 2.004 10 0 BEAELO CCS[C@H](C)c1noc(Cn2cc[nH+]c2)n1 ZINC000136339262 384491780 /nfs/dbraw/zinc/49/17/80/384491780.db2.gz NQUFZGZGASFVNM-MRVPVSSYSA-N 1 2 238.316 2.129 10 0 BEAELO Cn1ccnc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000049856728 384576605 /nfs/dbraw/zinc/57/66/05/384576605.db2.gz ANWJUTFNSGVWTI-LBPRGKRZSA-N 1 2 243.310 2.034 10 0 BEAELO CC(C)(C)OC(=O)NCc1cccc2[nH+]ccn21 ZINC000082034391 384644951 /nfs/dbraw/zinc/64/49/51/384644951.db2.gz CSSUUWBWNPZUMI-UHFFFAOYSA-N 1 2 247.298 2.359 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2[nH]ncc2C)o1 ZINC000309833343 384653617 /nfs/dbraw/zinc/65/36/17/384653617.db2.gz ZFHLTJZGIKAUCI-JTQLQIEISA-N 1 2 219.288 2.470 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2n[nH]cc2C)o1 ZINC000309833343 384653624 /nfs/dbraw/zinc/65/36/24/384653624.db2.gz ZFHLTJZGIKAUCI-JTQLQIEISA-N 1 2 219.288 2.470 10 0 BEAELO Cc1cnc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)o1 ZINC000173648130 384702994 /nfs/dbraw/zinc/70/29/94/384702994.db2.gz UMMJQKKCNSCSOX-GFCCVEGCSA-N 1 2 246.314 2.054 10 0 BEAELO Cc1cnc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)o1 ZINC000173648130 384703002 /nfs/dbraw/zinc/70/30/02/384703002.db2.gz UMMJQKKCNSCSOX-GFCCVEGCSA-N 1 2 246.314 2.054 10 0 BEAELO CCn1cc[nH+]c1CS[C@@H](C)C(C)=O ZINC000176974746 384836432 /nfs/dbraw/zinc/83/64/32/384836432.db2.gz HNWHEZJZQAXKDA-VIFPVBQESA-N 1 2 212.318 2.114 10 0 BEAELO Cc1cn(-c2ccc(Br)nc2)c[nH+]1 ZINC000072193001 384812055 /nfs/dbraw/zinc/81/20/55/384812055.db2.gz KIJYXWZGZYNDSH-UHFFFAOYSA-N 1 2 238.088 2.338 10 0 BEAELO Cc1ncc(C[NH+]2[C@@H](C)COC[C@@H]2C)s1 ZINC000077370519 384880446 /nfs/dbraw/zinc/88/04/46/384880446.db2.gz GWYMAQHENXDJBQ-IUCAKERBSA-N 1 2 226.345 2.061 10 0 BEAELO CCS[C@@H]1CC[C@@]1(O)CNc1cccc[nH+]1 ZINC000301495521 384880577 /nfs/dbraw/zinc/88/05/77/384880577.db2.gz SRFCDNNRAYOGCQ-ZYHUDNBSSA-N 1 2 238.356 2.140 10 0 BEAELO CO[C@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301761979 384931896 /nfs/dbraw/zinc/93/18/96/384931896.db2.gz GITLNZSHRLYLEF-MNOVXSKESA-N 1 2 221.304 2.155 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2conc2C)o1 ZINC000339394169 384988634 /nfs/dbraw/zinc/98/86/34/384988634.db2.gz PVKCXRNRDPPMTI-VIFPVBQESA-N 1 2 221.260 2.130 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCn3ncnc32)o1 ZINC000164797859 385040398 /nfs/dbraw/zinc/04/03/98/385040398.db2.gz VGTYKOPVUQWTGB-MNOVXSKESA-N 1 2 246.314 2.365 10 0 BEAELO Cc1cc(CN(C)c2cc[nH+]c(C3CC3)n2)no1 ZINC000110129094 385214178 /nfs/dbraw/zinc/21/41/78/385214178.db2.gz RGJIYNWJDBECKC-UHFFFAOYSA-N 1 2 244.298 2.287 10 0 BEAELO F[C@@H]1C[NH2+][C@H](c2nc(C3CCCCC3)no2)C1 ZINC000409424400 385331927 /nfs/dbraw/zinc/33/19/27/385331927.db2.gz UXZPWHXQNJJHSY-UWVGGRQHSA-N 1 2 239.294 2.490 10 0 BEAELO c1nc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)co1 ZINC000191943413 385334955 /nfs/dbraw/zinc/33/49/55/385334955.db2.gz ORXYZMNDFLRQPR-LBPRGKRZSA-N 1 2 232.287 2.125 10 0 BEAELO c1nc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)co1 ZINC000191943413 385334957 /nfs/dbraw/zinc/33/49/57/385334957.db2.gz ORXYZMNDFLRQPR-LBPRGKRZSA-N 1 2 232.287 2.125 10 0 BEAELO Cc1ccc(NC(=O)C[C@H](O)C(C)C)c(C)[nH+]1 ZINC000178971890 385354083 /nfs/dbraw/zinc/35/40/83/385354083.db2.gz QGEDEUMVFSBLOP-LBPRGKRZSA-N 1 2 236.315 2.044 10 0 BEAELO COc1c(CNc2c[nH+]ccc2C)c(C)nn1C ZINC000169059607 385404786 /nfs/dbraw/zinc/40/47/86/385404786.db2.gz SMMUPPIUHQMBSI-UHFFFAOYSA-N 1 2 246.314 2.053 10 0 BEAELO Cc1cnn([C@H]2CCC[N@H+](Cc3ccon3)C2)c1 ZINC000158002057 385542937 /nfs/dbraw/zinc/54/29/37/385542937.db2.gz HGERGNINTFXAIN-ZDUSSCGKSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccon3)C2)c1 ZINC000158002057 385542941 /nfs/dbraw/zinc/54/29/41/385542941.db2.gz HGERGNINTFXAIN-ZDUSSCGKSA-N 1 2 246.314 2.017 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2cnns2)o1 ZINC000289963997 385796554 /nfs/dbraw/zinc/79/65/54/385796554.db2.gz IUWKDFJQGMMEQY-QMMMGPOBSA-N 1 2 223.301 2.290 10 0 BEAELO CN1C[C@@H](c2ccc[nH+]c2N)Nc2ccccc21 ZINC000616681615 386264662 /nfs/dbraw/zinc/26/46/62/386264662.db2.gz RHVJTVRVRKBYEN-LBPRGKRZSA-N 1 2 240.310 2.267 10 0 BEAELO C[C@@H](CC(=O)NCCc1[nH]cc[nH+]1)C(C)(C)C ZINC000135489557 386513472 /nfs/dbraw/zinc/51/34/72/386513472.db2.gz QEPGZTISPGBCRE-JTQLQIEISA-N 1 2 237.347 2.141 10 0 BEAELO CC[N@@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373772 387912545 /nfs/dbraw/zinc/91/25/45/387912545.db2.gz UTWIDGSXWCWNIK-SECBINFHSA-N 1 2 209.293 2.350 10 0 BEAELO CC[N@H+]1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000195373772 387912550 /nfs/dbraw/zinc/91/25/50/387912550.db2.gz UTWIDGSXWCWNIK-SECBINFHSA-N 1 2 209.293 2.350 10 0 BEAELO Cc1cc[nH+]cc1N[C@H](C)[C@H]1CCOC1 ZINC000162946304 388254914 /nfs/dbraw/zinc/25/49/14/388254914.db2.gz VMXLNZHIMYDRKN-MNOVXSKESA-N 1 2 206.289 2.227 10 0 BEAELO CCn1cc[nH+]c1CS[C@@H]1CCO[C@H]1C ZINC000163362220 388360515 /nfs/dbraw/zinc/36/05/15/388360515.db2.gz LCLGFOMACGDBHN-VHSXEESVSA-N 1 2 226.345 2.314 10 0 BEAELO CC[C@@H]1NN(c2ccccc2)C(=[NH2+])S1 ZINC000039101215 171151045 /nfs/dbraw/zinc/15/10/45/171151045.db2.gz WEXLJMFSFPYZKB-SECBINFHSA-N 1 2 207.302 2.415 10 0 BEAELO O[C@@]12CCCC[C@H]1CN(c1cccc[nH+]1)CC2 ZINC000220367983 132452887 /nfs/dbraw/zinc/45/28/87/132452887.db2.gz GEZYFZZSJHDVBT-GXTWGEPZSA-N 1 2 232.327 2.213 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)CCC(C)C ZINC000177296090 134299527 /nfs/dbraw/zinc/29/95/27/134299527.db2.gz MKWMZYUMPKTIJN-HNNXBMFYSA-N 1 2 228.361 2.198 10 0 BEAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccoc1 ZINC000178358224 134308789 /nfs/dbraw/zinc/30/87/89/134308789.db2.gz PJRCCJMNJZDAKC-MWLCHTKSSA-N 1 2 232.287 2.057 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccccn2)o1 ZINC000220879374 134316483 /nfs/dbraw/zinc/31/64/83/134316483.db2.gz PJLLQGSFIKSINE-JTQLQIEISA-N 1 2 217.272 2.229 10 0 BEAELO CCn1cc[nH+]c1CN1CCO[C@H]2CCCC[C@H]21 ZINC000249865103 135046346 /nfs/dbraw/zinc/04/63/46/135046346.db2.gz HSDVINUQXSHNDF-OLZOCXBDSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1ccnc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249865103 135046348 /nfs/dbraw/zinc/04/63/48/135046348.db2.gz HSDVINUQXSHNDF-OLZOCXBDSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1ccnc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000249865103 135046349 /nfs/dbraw/zinc/04/63/49/135046349.db2.gz HSDVINUQXSHNDF-OLZOCXBDSA-N 1 2 249.358 2.046 10 0 BEAELO C[NH2+]Cc1noc([C@@H]2CCCC(F)(F)C2)n1 ZINC000261533082 135163948 /nfs/dbraw/zinc/16/39/48/135163948.db2.gz IZMPELJYTZFNOB-SSDOTTSWSA-N 1 2 231.246 2.082 10 0 BEAELO OC1(C2CC2)C[NH+](Cc2ccccc2Cl)C1 ZINC000084377235 135215373 /nfs/dbraw/zinc/21/53/73/135215373.db2.gz ZGJKOQKQFVPADX-UHFFFAOYSA-N 1 2 237.730 2.297 10 0 BEAELO Cc1nocc1C[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000334304861 135348430 /nfs/dbraw/zinc/34/84/30/135348430.db2.gz CGGDQEAZJDHVMG-OLZOCXBDSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nocc1C[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000334304861 135348432 /nfs/dbraw/zinc/34/84/32/135348432.db2.gz CGGDQEAZJDHVMG-OLZOCXBDSA-N 1 2 236.315 2.126 10 0 BEAELO Clc1cnccc1[C@@H]1[NH2+]CCS1 ZINC000575460519 397944032 /nfs/dbraw/zinc/94/40/32/397944032.db2.gz CWVZZIYJBCKMMX-MRVPVSSYSA-N 1 2 200.694 2.070 10 0 BEAELO Clc1cnccc1[C@H]1[NH2+]CCS1 ZINC000575460522 397944230 /nfs/dbraw/zinc/94/42/30/397944230.db2.gz CWVZZIYJBCKMMX-QMMMGPOBSA-N 1 2 200.694 2.070 10 0 BEAELO C[C@@H]1CN(c2cc[nH+]c(C3CC3)n2)CC(C)(C)O1 ZINC000110289794 397903828 /nfs/dbraw/zinc/90/38/28/397903828.db2.gz IVZUHONSDVNJFR-SNVBAGLBSA-N 1 2 247.342 2.358 10 0 BEAELO Brc1cn2c[nH+]cc2s1 ZINC000038916937 166105011 /nfs/dbraw/zinc/10/50/11/166105011.db2.gz QJJWFMQXQGXGOP-UHFFFAOYSA-N 1 2 203.064 2.158 10 0 BEAELO CC(C)[C@@H](C)Nc1[nH+]cccc1C(N)=S ZINC000020523606 167387477 /nfs/dbraw/zinc/38/74/77/167387477.db2.gz NHQLIFMNEFXIAN-MRVPVSSYSA-N 1 2 223.345 2.172 10 0 BEAELO CC1=C([NH3+])C[C@@](C)(O)C(c2ccccc2)=C1 ZINC000039109416 168087760 /nfs/dbraw/zinc/08/77/60/168087760.db2.gz IMUHCLYSJKXLCV-CQSZACIVSA-N 1 2 215.296 2.457 10 0 BEAELO CCOC(=O)N1CCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616615797 411390683 /nfs/dbraw/zinc/39/06/83/411390683.db2.gz SRXMGKQIQBGTNH-NSHDSACASA-N 1 2 249.314 2.178 10 0 BEAELO CCC(=O)Nc1cccc(NCc2[nH]cc[nH+]2)c1 ZINC000049714685 168245110 /nfs/dbraw/zinc/24/51/10/168245110.db2.gz CJSAQCYAHDFWRV-UHFFFAOYSA-N 1 2 244.298 2.370 10 0 BEAELO CCC(C)(C)Nc1[nH+]cccc1C(N)=S ZINC000019472282 168303162 /nfs/dbraw/zinc/30/31/62/168303162.db2.gz MQMTYJPBVWBDAP-UHFFFAOYSA-N 1 2 223.345 2.316 10 0 BEAELO CCC(C)(C)Nc1cc[nH+]c(C(N)=S)c1 ZINC000061811787 168303361 /nfs/dbraw/zinc/30/33/61/168303361.db2.gz APMTZYUWGPFALN-UHFFFAOYSA-N 1 2 223.345 2.316 10 0 BEAELO Cc1c[nH]c(C[NH2+][C@@H](C)c2ccc(C)o2)n1 ZINC000657292799 411453266 /nfs/dbraw/zinc/45/32/66/411453266.db2.gz TYGCGMXUVJAHCX-JTQLQIEISA-N 1 2 219.288 2.470 10 0 BEAELO Cc1csc(CN(C)c2cccc[nH+]2)n1 ZINC000301282708 411493861 /nfs/dbraw/zinc/49/38/61/411493861.db2.gz LGYHUZRSQFTPDC-UHFFFAOYSA-N 1 2 219.313 2.483 10 0 BEAELO Cc1[nH+]ccc(N2CCCCN2)c1Cl ZINC000307098392 411465368 /nfs/dbraw/zinc/46/53/68/411465368.db2.gz VYOROAQLCMTIKJ-UHFFFAOYSA-N 1 2 211.696 2.148 10 0 BEAELO CC[N@@H+]1C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C1 ZINC000309034843 170034949 /nfs/dbraw/zinc/03/49/49/170034949.db2.gz HOFOMBIJFSYNPG-RYUDHWBXSA-N 1 2 212.381 2.352 10 0 BEAELO CC[N@@H+]1C[C@H]([NH2+]CC2CCCCC2)[C@@H](C)C1 ZINC000309897292 170035891 /nfs/dbraw/zinc/03/58/91/170035891.db2.gz GIYHLHVRSARQJU-JSGCOSHPSA-N 1 2 224.392 2.497 10 0 BEAELO CCNC(=O)[C@@H](C)Nc1ccc2ccccc2[nH+]1 ZINC000042209659 170089196 /nfs/dbraw/zinc/08/91/96/170089196.db2.gz RZSXFZUSPWAZAT-SNVBAGLBSA-N 1 2 243.310 2.171 10 0 BEAELO CC[NH2+]Cc1noc(C[C@H]2C[C@H]3CC[C@@H]2C3)n1 ZINC000051860531 170131934 /nfs/dbraw/zinc/13/19/34/170131934.db2.gz PPNVGLPQNTXSCO-HBNTYKKESA-N 1 2 235.331 2.158 10 0 BEAELO CCNc1ccc(Cn2cc(C)cn2)c[nH+]1 ZINC000050829626 170174676 /nfs/dbraw/zinc/17/46/76/170174676.db2.gz WPTFOZOYBHDVLJ-UHFFFAOYSA-N 1 2 216.288 2.067 10 0 BEAELO CCNc1[nH+]cnc2c1cnn2[C@H](C)CC ZINC000062367252 170178333 /nfs/dbraw/zinc/17/83/33/170178333.db2.gz ASXPYEZKXLZJEQ-MRVPVSSYSA-N 1 2 219.292 2.229 10 0 BEAELO CCNc1snnc1C[N@@H+]1CCC[C@H](C)C1 ZINC000050792459 170178921 /nfs/dbraw/zinc/17/89/21/170178921.db2.gz OFPVDRCSNBXJNA-VIFPVBQESA-N 1 2 240.376 2.202 10 0 BEAELO CCNc1snnc1C[N@H+]1CCC[C@H](C)C1 ZINC000050792459 170178922 /nfs/dbraw/zinc/17/89/22/170178922.db2.gz OFPVDRCSNBXJNA-VIFPVBQESA-N 1 2 240.376 2.202 10 0 BEAELO CCNc1snnc1C[N@@H+]1CCCC[C@@H]1C ZINC000050792280 170178942 /nfs/dbraw/zinc/17/89/42/170178942.db2.gz SYWVRSOXKCSEPW-VIFPVBQESA-N 1 2 240.376 2.344 10 0 BEAELO CCNc1snnc1C[N@H+]1CCCC[C@@H]1C ZINC000050792280 170178944 /nfs/dbraw/zinc/17/89/44/170178944.db2.gz SYWVRSOXKCSEPW-VIFPVBQESA-N 1 2 240.376 2.344 10 0 BEAELO CCOC(=O)C(C)(C)[NH2+]CCc1ccccc1 ZINC000118863340 170187615 /nfs/dbraw/zinc/18/76/15/170187615.db2.gz OQWFURFFNIVDLH-UHFFFAOYSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC(=O)C[NH2+]CCC1=CCCCC1 ZINC000034408937 170225176 /nfs/dbraw/zinc/22/51/76/170225176.db2.gz IDERBBVTQYHMJZ-UHFFFAOYSA-N 1 2 211.305 2.030 10 0 BEAELO CCOC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289087 170247335 /nfs/dbraw/zinc/24/73/35/170247335.db2.gz SUMGQCUWGSQVDU-GHMZBOCLSA-N 1 2 237.299 2.368 10 0 BEAELO CCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116289087 170247338 /nfs/dbraw/zinc/24/73/38/170247338.db2.gz SUMGQCUWGSQVDU-GHMZBOCLSA-N 1 2 237.299 2.368 10 0 BEAELO CCOC(=O)[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC000037968175 170255163 /nfs/dbraw/zinc/25/51/63/170255163.db2.gz DZOIERXEGXYYHR-ZDUSSCGKSA-N 1 2 233.311 2.290 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000034856992 170276963 /nfs/dbraw/zinc/27/69/63/170276963.db2.gz UTEANATWINVRDV-CYBMUJFWSA-N 1 2 229.279 2.403 10 0 BEAELO CC(=O)N1CCCCC[C@H]1c1ccc(N)[nH+]c1 ZINC000616622606 411854960 /nfs/dbraw/zinc/85/49/60/411854960.db2.gz FIGHWIWHLUEEKJ-LBPRGKRZSA-N 1 2 233.315 2.127 10 0 BEAELO CCc1nc(N)c(-c2ccc(F)cc2)c[nH+]1 ZINC000061675302 172015232 /nfs/dbraw/zinc/01/52/32/172015232.db2.gz CFMBRKDXUIIMGN-UHFFFAOYSA-N 1 2 217.247 2.427 10 0 BEAELO CCc1ncc2n1CC[N@@H+](Cc1ccccc1)C2 ZINC000089195613 172024278 /nfs/dbraw/zinc/02/42/78/172024278.db2.gz OLQQSJOHLGBKFA-UHFFFAOYSA-N 1 2 241.338 2.461 10 0 BEAELO CCc1ncc2n1CC[N@H+](Cc1ccccc1)C2 ZINC000089195613 172024280 /nfs/dbraw/zinc/02/42/80/172024280.db2.gz OLQQSJOHLGBKFA-UHFFFAOYSA-N 1 2 241.338 2.461 10 0 BEAELO CCn1cc[nH+]c1CNc1cccc2n[nH]cc21 ZINC000051923836 172226125 /nfs/dbraw/zinc/22/61/25/172226125.db2.gz FCHBQJHXMQRGKD-UHFFFAOYSA-N 1 2 241.298 2.391 10 0 BEAELO CCn1nccc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000120328001 172267129 /nfs/dbraw/zinc/26/71/29/172267129.db2.gz NIGLPWNAPSCJRQ-UONOGXRCSA-N 1 2 249.358 2.046 10 0 BEAELO CCn1nccc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000120328001 172267131 /nfs/dbraw/zinc/26/71/31/172267131.db2.gz NIGLPWNAPSCJRQ-UONOGXRCSA-N 1 2 249.358 2.046 10 0 BEAELO C[N@@H+]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000040672718 173020029 /nfs/dbraw/zinc/02/00/29/173020029.db2.gz SMOKSFPNVPYPEQ-SECBINFHSA-N 1 2 228.723 2.117 10 0 BEAELO C[N@H+]1CCC[C@@H](NCc2ccc(Cl)o2)C1 ZINC000040672718 173020030 /nfs/dbraw/zinc/02/00/30/173020030.db2.gz SMOKSFPNVPYPEQ-SECBINFHSA-N 1 2 228.723 2.117 10 0 BEAELO COC(=O)[C@@H]([NH2+]Cc1ccc(C)s1)C(C)C ZINC000035346261 173711840 /nfs/dbraw/zinc/71/18/40/173711840.db2.gz WJDWKMVIONIVLF-NSHDSACASA-N 1 2 241.356 2.344 10 0 BEAELO COc1ccc(C2=[NH+]CCC2)cc1OC ZINC000026442937 175085437 /nfs/dbraw/zinc/08/54/37/175085437.db2.gz GUNMASZTYNABNM-UHFFFAOYSA-N 1 2 205.257 2.287 10 0 BEAELO COc1ccc([NH2+]C[C@H]2CCOC2)cc1C ZINC000049528359 175151742 /nfs/dbraw/zinc/15/17/42/175151742.db2.gz FBHUULDESRGZRQ-LLVKDONJSA-N 1 2 221.300 2.452 10 0 BEAELO COc1ccc(NCc2c[nH+]c[nH]2)cc1C ZINC000054765227 175151794 /nfs/dbraw/zinc/15/17/94/175151794.db2.gz IYYZTHFAHJWZLE-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc(NCc2c[nH]c[nH+]2)cc1C ZINC000054765227 175151795 /nfs/dbraw/zinc/15/17/95/175151795.db2.gz IYYZTHFAHJWZLE-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc(NCc2[nH]cc[nH+]2)cc1C ZINC000049715722 175153572 /nfs/dbraw/zinc/15/35/72/175153572.db2.gz XPYFPTMLBIIPHL-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc(OC)c(C2=[NH+]CCC2)c1 ZINC000026442940 175164742 /nfs/dbraw/zinc/16/47/42/175164742.db2.gz JLYQKQFUKIJIHN-UHFFFAOYSA-N 1 2 205.257 2.287 10 0 BEAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1cc(F)ccc1O ZINC000037911596 176109417 /nfs/dbraw/zinc/10/94/17/176109417.db2.gz NKKXQDFNVKSNEX-SECBINFHSA-N 1 2 237.274 2.198 10 0 BEAELO C[C@@H]1CCC[N@H+]1CC(=O)c1cc(F)ccc1O ZINC000037911596 176109419 /nfs/dbraw/zinc/10/94/19/176109419.db2.gz NKKXQDFNVKSNEX-SECBINFHSA-N 1 2 237.274 2.198 10 0 BEAELO C[C@H]1C(=O)C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000068592830 176306580 /nfs/dbraw/zinc/30/65/80/176306580.db2.gz XAROUNQNJBQCKU-VXGBXAGGSA-N 1 2 217.312 2.344 10 0 BEAELO C[C@H]1C(=O)C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000068592830 176306582 /nfs/dbraw/zinc/30/65/82/176306582.db2.gz XAROUNQNJBQCKU-VXGBXAGGSA-N 1 2 217.312 2.344 10 0 BEAELO C[C@H](O)c1c[nH+]c2ccc(Br)cn21 ZINC000031935515 177018106 /nfs/dbraw/zinc/01/81/06/177018106.db2.gz KFHUQEUDHCMOLJ-LURJTMIESA-N 1 2 241.088 2.150 10 0 BEAELO C[C@@H]1CC(=O)[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000068592974 177057072 /nfs/dbraw/zinc/05/70/72/177057072.db2.gz FABAJOBMSRCVJN-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1CC(=O)[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000068592974 177057074 /nfs/dbraw/zinc/05/70/74/177057074.db2.gz FABAJOBMSRCVJN-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1CC(Nc2cccc[nH+]2)C[C@H](C)O1 ZINC000301980140 177066563 /nfs/dbraw/zinc/06/65/63/177066563.db2.gz XNZPHHNAFFJHDZ-UWVGGRQHSA-N 1 2 206.289 2.450 10 0 BEAELO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1c(N)cccc1F ZINC000104056482 177260150 /nfs/dbraw/zinc/26/01/50/177260150.db2.gz JNDAFNBZXKFKCR-ZJUUUORDSA-N 1 2 238.306 2.017 10 0 BEAELO C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1c(N)cccc1F ZINC000104056482 177260151 /nfs/dbraw/zinc/26/01/51/177260151.db2.gz JNDAFNBZXKFKCR-ZJUUUORDSA-N 1 2 238.306 2.017 10 0 BEAELO C[C@H]1C[N@H+](Cc2cc(Br)no2)[C@H]1C ZINC000293001714 177260154 /nfs/dbraw/zinc/26/01/54/177260154.db2.gz NCKPVTNFUZGPHD-BQBZGAKWSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@H]1C[N@@H+](Cc2cc(Br)no2)[C@H]1C ZINC000293001714 177260155 /nfs/dbraw/zinc/26/01/55/177260155.db2.gz NCKPVTNFUZGPHD-BQBZGAKWSA-N 1 2 245.120 2.277 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@H+]1Cc1cccc(F)c1 ZINC000077370245 177298912 /nfs/dbraw/zinc/29/89/12/177298912.db2.gz RZCYPPDCEHXEMR-PHIMTYICSA-N 1 2 223.291 2.435 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@@H+]1Cc1cccc(F)c1 ZINC000077370245 177298914 /nfs/dbraw/zinc/29/89/14/177298914.db2.gz RZCYPPDCEHXEMR-PHIMTYICSA-N 1 2 223.291 2.435 10 0 BEAELO C[C@H]1C[C@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075514474 177384976 /nfs/dbraw/zinc/38/49/76/177384976.db2.gz IUNJXJYEQYUWLB-GXFFZTMASA-N 1 2 241.294 2.011 10 0 BEAELO C[C@H]1C[C@@H](O)CN(c2[nH+]ccc3ccccc32)C1 ZINC000401530742 323080120 /nfs/dbraw/zinc/08/01/20/323080120.db2.gz HZBJNBMXQHYEFQ-WCQYABFASA-N 1 2 242.322 2.442 10 0 BEAELO C[C@H]1C[C@H](O)CN(c2[nH+]ccc3ccccc32)C1 ZINC000401530729 323080203 /nfs/dbraw/zinc/08/02/03/323080203.db2.gz HZBJNBMXQHYEFQ-AAEUAGOBSA-N 1 2 242.322 2.442 10 0 BEAELO COC(=O)[C@H]1CCc2[nH+]cc(C(C)C)n2CC1 ZINC000536960919 323974350 /nfs/dbraw/zinc/97/43/50/323974350.db2.gz SSDRXKKYXQNHFG-JTQLQIEISA-N 1 2 236.315 2.132 10 0 BEAELO COc1cccc(F)c1[C@@H](C)NCc1[nH]cc[nH+]1 ZINC000134773420 325376112 /nfs/dbraw/zinc/37/61/12/325376112.db2.gz XWSNYMSFGAGLCV-SECBINFHSA-N 1 2 249.289 2.408 10 0 BEAELO CCCn1nccc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231740510 487472293 /nfs/dbraw/zinc/47/22/93/487472293.db2.gz SDPUOSZPUHPBEJ-NSHDSACASA-N 1 2 248.330 2.440 10 0 BEAELO Cc1cc[nH+]cc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667912289 488154754 /nfs/dbraw/zinc/15/47/54/488154754.db2.gz CXVZTHFSKMFAAX-WCQYABFASA-N 1 2 218.300 2.369 10 0 BEAELO C[C@H]1CCC[C@@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150312 582534874 /nfs/dbraw/zinc/53/48/74/582534874.db2.gz PKYKJBHZHGJQHR-WCBMZHEXSA-N 1 2 205.248 2.148 10 0 BEAELO C[NH+](C)[C@H](C(N)=O)c1cc(Cl)cc(Cl)c1 ZINC000095532622 522068732 /nfs/dbraw/zinc/06/87/32/522068732.db2.gz VFIQNDAIHASCGQ-VIFPVBQESA-N 1 2 247.125 2.081 10 0 BEAELO CNc1cc(-c2ccnn2C)[nH+]c2ccsc21 ZINC000725257218 538061264 /nfs/dbraw/zinc/06/12/64/538061264.db2.gz KGGRVRDEVJONRX-UHFFFAOYSA-N 1 2 244.323 2.160 10 0 BEAELO Nc1cccc(-c2ccc3c(c2)CCN3)[nH+]1 ZINC000669381378 566427144 /nfs/dbraw/zinc/42/71/44/566427144.db2.gz HKSVYDNRAITHST-UHFFFAOYSA-N 1 2 211.268 2.299 10 0 BEAELO CCOCC[NH2+]c1ccc2c(c1)CCN2C ZINC000757129849 582503816 /nfs/dbraw/zinc/50/38/16/582503816.db2.gz MZYJXNCRSQXECJ-UHFFFAOYSA-N 1 2 220.316 2.127 10 0 BEAELO CC1(C)C[C@@]2(CO1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757147082 582530242 /nfs/dbraw/zinc/53/02/42/582530242.db2.gz MBJBXXPSCMXPGD-GXFFZTMASA-N 1 2 237.299 2.226 10 0 BEAELO CC1(C)C[C@]2(CO1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757147059 582530925 /nfs/dbraw/zinc/53/09/25/582530925.db2.gz MBJBXXPSCMXPGD-GWCFXTLKSA-N 1 2 237.299 2.226 10 0 BEAELO CC(=O)[C@@H]1CCCN(c2cc(C(C)C)[nH+]cn2)C1 ZINC000111691060 582817959 /nfs/dbraw/zinc/81/79/59/582817959.db2.gz WJNFFZWQSSSGGC-GFCCVEGCSA-N 1 2 247.342 2.405 10 0 BEAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccon2)c1C ZINC000148672695 584030826 /nfs/dbraw/zinc/03/08/26/584030826.db2.gz GYBRJRITVDSWHS-SECBINFHSA-N 1 2 248.330 2.359 10 0 BEAELO C[C@H](O)c1ccc(N2CCS[C@H](C)C2)[nH+]c1 ZINC000123571063 589754842 /nfs/dbraw/zinc/75/48/42/589754842.db2.gz YMAOANHBWBOPJK-ZJUUUORDSA-N 1 2 238.356 2.077 10 0 BEAELO CC(C)CN(C)c1ccc([C@H](C)O)c[nH+]1 ZINC000124907062 590098168 /nfs/dbraw/zinc/09/81/68/590098168.db2.gz SOQGUNPPOPVAIW-JTQLQIEISA-N 1 2 208.305 2.227 10 0 BEAELO C[C@H](O)c1ccc(N2CCC(C)(C)C2)[nH+]c1 ZINC000124947794 590102796 /nfs/dbraw/zinc/10/27/96/590102796.db2.gz OMQXIHDEVOFWPK-JTQLQIEISA-N 1 2 220.316 2.371 10 0 BEAELO CC[N@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000126305625 590271543 /nfs/dbraw/zinc/27/15/43/590271543.db2.gz ACBSGZPUJGRELQ-UHFFFAOYSA-N 1 2 222.119 2.179 10 0 BEAELO CC[N@@H+](C)Cc1c(Cl)nc(Cl)n1C ZINC000126305625 590271545 /nfs/dbraw/zinc/27/15/45/590271545.db2.gz ACBSGZPUJGRELQ-UHFFFAOYSA-N 1 2 222.119 2.179 10 0 BEAELO CC(C)[C@@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000127317456 590618080 /nfs/dbraw/zinc/61/80/80/590618080.db2.gz GGOZUTXDVQARDH-LLVKDONJSA-N 1 2 246.310 2.465 10 0 BEAELO C[C@@H](O)c1ccc(N(C)Cc2ccncc2)[nH+]c1 ZINC000213226262 591455327 /nfs/dbraw/zinc/45/53/27/591455327.db2.gz BWCPWKVKJZNCGJ-LLVKDONJSA-N 1 2 243.310 2.166 10 0 BEAELO Cc1cc(C[NH2+][C@@H](C)c2cncs2)no1 ZINC000132681560 591731028 /nfs/dbraw/zinc/73/10/28/591731028.db2.gz HJCKLGDMJPNRIL-QMMMGPOBSA-N 1 2 223.301 2.290 10 0 BEAELO Cc1nnc([C@@H](C)[NH2+]Cc2ccoc2)s1 ZINC000134999849 591968469 /nfs/dbraw/zinc/96/84/69/591968469.db2.gz ZSAGNYVBLLGFCI-SSDOTTSWSA-N 1 2 223.301 2.290 10 0 BEAELO Cc1cc(C[NH2+][C@H]2COc3ccccc32)on1 ZINC000310513436 632752177 /nfs/dbraw/zinc/75/21/77/632752177.db2.gz KMYTZGCYNLNFKT-LBPRGKRZSA-N 1 2 230.267 2.206 10 0 BEAELO CC(=O)[C@H]1CCC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000085161808 643688899 /nfs/dbraw/zinc/68/88/99/643688899.db2.gz RBJCSCPLKGVPNX-ZDUSSCGKSA-N 1 2 249.358 2.265 10 0 BEAELO CC(=O)[C@H]1CCC[N@H+](Cc2ccn(C(C)C)n2)C1 ZINC000085161808 643688903 /nfs/dbraw/zinc/68/89/03/643688903.db2.gz RBJCSCPLKGVPNX-ZDUSSCGKSA-N 1 2 249.358 2.265 10 0 BEAELO CCC1CCC(NC(=O)C[C@@H]([NH3+])C(F)F)CC1 ZINC000724758034 710746882 /nfs/dbraw/zinc/74/68/82/710746882.db2.gz JBSSMPNEWQSJHO-UDNWOFFPSA-N 1 2 248.317 2.054 10 0 BEAELO Cc1cnc(C[NH2+][C@@H]2CCn3ccnc32)c(C)c1 ZINC000724049344 711558133 /nfs/dbraw/zinc/55/81/33/711558133.db2.gz RLWWEARLWBKSIO-GFCCVEGCSA-N 1 2 242.326 2.130 10 0 BEAELO C[C@@H]1CN(c2[nH+]ccc3ccccc32)C[C@H]1CO ZINC000709162256 712211358 /nfs/dbraw/zinc/21/13/58/712211358.db2.gz VNEVSCGSALOXLD-YPMHNXCESA-N 1 2 242.322 2.299 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nn2)o1 ZINC000715863607 712537303 /nfs/dbraw/zinc/53/73/03/712537303.db2.gz YFVLGIFKRFPGBN-VHSXEESVSA-N 1 2 234.303 2.128 10 0 BEAELO Cc1cc([C@H](C)[NH2+][C@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885440 712539570 /nfs/dbraw/zinc/53/95/70/712539570.db2.gz SDWKILIAIBIXAN-VHSXEESVSA-N 1 2 248.330 2.437 10 0 BEAELO Cc1cccc(C[NH2+][C@H](C)c2cn(C)nn2)c1F ZINC000720590659 712856119 /nfs/dbraw/zinc/85/61/19/712856119.db2.gz KWDYGUVNMGMIBZ-SNVBAGLBSA-N 1 2 248.305 2.113 10 0 BEAELO Clc1ccccc1C[NH2+]Cc1cnccn1 ZINC000054765449 1169138785 /nfs/dbraw/zinc/13/87/85/1169138785.db2.gz MJNVDLGDLZWYPQ-UHFFFAOYSA-N 1 2 233.702 2.420 10 0 BEAELO Nc1cn(Cc2c(F)cccc2Cl)c[nH+]1 ZINC000685964287 538911225 /nfs/dbraw/zinc/91/12/25/538911225.db2.gz KRRDXOBTCUKDOC-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO Cc1cc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000119558718 178142041 /nfs/dbraw/zinc/14/20/41/178142041.db2.gz PJKITKHNVULNRG-ZYHUDNBSSA-N 1 2 249.314 2.079 10 0 BEAELO Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc[nH+]1 ZINC000119558447 178142297 /nfs/dbraw/zinc/14/22/97/178142297.db2.gz PJKITKHNVULNRG-PWSUYJOCSA-N 1 2 249.314 2.079 10 0 BEAELO CCn1c[nH+]cc1/C=C/Br ZINC000606275918 538930195 /nfs/dbraw/zinc/93/01/95/538930195.db2.gz NORTYSSQAKEFTJ-ONEGZZNKSA-N 1 2 201.067 2.269 10 0 BEAELO Cc1cc(N[C@@H](C)Cn2cc[nH+]c2)ccc1N ZINC000049234762 178178581 /nfs/dbraw/zinc/17/85/81/178178581.db2.gz FGHQUZZPCNJGCE-NSHDSACASA-N 1 2 230.315 2.274 10 0 BEAELO CCC(CC)C[NH2+]C1CN2CCC1CC2 ZINC000019946339 168363141 /nfs/dbraw/zinc/36/31/41/168363141.db2.gz ANBLRKBLQOZFFH-CYBMUJFWSA-N 1 2 210.365 2.106 10 0 BEAELO Cc1ccc(C(=O)C[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000061919742 178373264 /nfs/dbraw/zinc/37/32/64/178373264.db2.gz WKJKJGSBLHTBKN-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO Cc1ccc(C(=O)C[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000061919742 178373266 /nfs/dbraw/zinc/37/32/66/178373266.db2.gz WKJKJGSBLHTBKN-CYBMUJFWSA-N 1 2 247.338 2.289 10 0 BEAELO O[C@H]1CCC[C@H](C[N@H+](CC(F)F)C2CC2)C1 ZINC000381644738 398267988 /nfs/dbraw/zinc/26/79/88/398267988.db2.gz QBSMQAZRFUJCNB-ONGXEEELSA-N 1 2 233.302 2.267 10 0 BEAELO O[C@H]1CCC[C@H](C[N@@H+](CC(F)F)C2CC2)C1 ZINC000381644738 398267989 /nfs/dbraw/zinc/26/79/89/398267989.db2.gz QBSMQAZRFUJCNB-ONGXEEELSA-N 1 2 233.302 2.267 10 0 BEAELO O[C@H]1CCC[C@@H](C[N@H+](CC(F)F)C2CC2)C1 ZINC000381644734 398268215 /nfs/dbraw/zinc/26/82/15/398268215.db2.gz QBSMQAZRFUJCNB-KOLCDFICSA-N 1 2 233.302 2.267 10 0 BEAELO O[C@H]1CCC[C@@H](C[N@@H+](CC(F)F)C2CC2)C1 ZINC000381644734 398268216 /nfs/dbraw/zinc/26/82/16/398268216.db2.gz QBSMQAZRFUJCNB-KOLCDFICSA-N 1 2 233.302 2.267 10 0 BEAELO CC[C@]1(C)N(O)[C@@H](C)C(c2ccccc2)=[N+]1O ZINC000253394062 398279124 /nfs/dbraw/zinc/27/91/24/398279124.db2.gz YARVHMNOGFPZCR-GXFFZTMASA-N 1 2 235.307 2.097 10 0 BEAELO Oc1ccc2c(c1)[C@@]13CCCC[C@@H]1N(C2)[NH2+]CC3 ZINC000147755935 342780393 /nfs/dbraw/zinc/78/03/93/342780393.db2.gz URQPUQKGGMPUDA-GJZGRUSLSA-N 1 2 244.338 2.297 10 0 BEAELO CCOC(=O)[C@@H]1CC=C(c2cccc(N)[nH+]2)CC1 ZINC000149828544 342794781 /nfs/dbraw/zinc/79/47/81/342794781.db2.gz WYQWVAYKEUYKCK-LLVKDONJSA-N 1 2 246.310 2.410 10 0 BEAELO CCCn1cc([C@@H]2[NH2+]CCCS2)cn1 ZINC000233449701 342862209 /nfs/dbraw/zinc/86/22/09/342862209.db2.gz MHNNQLOFAMUYLG-SNVBAGLBSA-N 1 2 211.334 2.018 10 0 BEAELO CC[C@@H]1C[NH+]=C(NCC(F)(F)F)S1 ZINC000229999964 342862761 /nfs/dbraw/zinc/86/27/61/342862761.db2.gz CTOOUAQUQHRTIV-RXMQYKEDSA-N 1 2 212.240 2.020 10 0 BEAELO [NH3+][C@@H](c1csnn1)c1sccc1Cl ZINC000229961498 342859404 /nfs/dbraw/zinc/85/94/04/342859404.db2.gz FVRBZTYCDIKGBW-LURJTMIESA-N 1 2 231.733 2.301 10 0 BEAELO [NH3+][C@H](c1cnsn1)c1sccc1Cl ZINC000229962007 342859423 /nfs/dbraw/zinc/85/94/23/342859423.db2.gz YFRAMUQXWLKCOL-ZCFIWIBFSA-N 1 2 231.733 2.301 10 0 BEAELO Cn1ncc2c1nc[nH+]c2NCCC1CCCC1 ZINC000037492673 398329079 /nfs/dbraw/zinc/32/90/79/398329079.db2.gz FHBPUHIAEMKCHO-UHFFFAOYSA-N 1 2 245.330 2.356 10 0 BEAELO Nc1ccc(-c2ccc(F)cc2C=O)c[nH+]1 ZINC000584880968 343081669 /nfs/dbraw/zinc/08/16/69/343081669.db2.gz UAGDPFPHYZSGJH-UHFFFAOYSA-N 1 2 216.215 2.113 10 0 BEAELO CNc1c(N)c[nH+]c2c(F)c(C)ccc12 ZINC000584882353 343084601 /nfs/dbraw/zinc/08/46/01/343084601.db2.gz DOLDVKLDOSIBGY-UHFFFAOYSA-N 1 2 205.236 2.306 10 0 BEAELO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@@H]2C)[nH+]1 ZINC000080979036 343415571 /nfs/dbraw/zinc/41/55/71/343415571.db2.gz PCRXIIOXNSIBPN-IMTBSYHQSA-N 1 2 202.261 2.087 10 0 BEAELO Cc1ccc2[nH+]cn(CC(C)(C)O)c2c1 ZINC000203059365 343497294 /nfs/dbraw/zinc/49/72/94/343497294.db2.gz FMLYMJMXKQBPCL-UHFFFAOYSA-N 1 2 204.273 2.116 10 0 BEAELO CC(C)(C)[N@@H+]1CCOCC[C@H]1OC(F)(F)F ZINC000616656214 343531768 /nfs/dbraw/zinc/53/17/68/343531768.db2.gz LZLBKKQDCAEREX-MRVPVSSYSA-N 1 2 241.253 2.370 10 0 BEAELO CC(C)(C)[N@H+]1CCOCC[C@H]1OC(F)(F)F ZINC000616656214 343531771 /nfs/dbraw/zinc/53/17/71/343531771.db2.gz LZLBKKQDCAEREX-MRVPVSSYSA-N 1 2 241.253 2.370 10 0 BEAELO CC(C)n1c2ccccc2[nH+]c1NC[C@@H](C)O ZINC000000513225 346953241 /nfs/dbraw/zinc/95/32/41/346953241.db2.gz JVZYEUVCHFWOCQ-SNVBAGLBSA-N 1 2 233.315 2.410 10 0 BEAELO c1ccc(N2CC[NH+]([C@@H]3CCCCO3)CC2)cc1 ZINC000166688592 343720486 /nfs/dbraw/zinc/72/04/86/343720486.db2.gz DRFHLFBXSHZAKA-HNNXBMFYSA-N 1 2 246.354 2.335 10 0 BEAELO COC(=[NH2+])Cn1ccc(-c2ccsc2)n1 ZINC000409440667 343852937 /nfs/dbraw/zinc/85/29/37/343852937.db2.gz NUCRXXKPAKCKBC-UHFFFAOYSA-N 1 2 221.285 2.235 10 0 BEAELO CCc1[nH]nc(C2CC2)c1CCC(=[NH2+])OC ZINC000409439963 343853886 /nfs/dbraw/zinc/85/38/86/343853886.db2.gz LEBKDDAIAATYPM-UHFFFAOYSA-N 1 2 221.304 2.406 10 0 BEAELO CCc1n[nH]c(C2CC2)c1CCC(=[NH2+])OC ZINC000409439963 343853888 /nfs/dbraw/zinc/85/38/88/343853888.db2.gz LEBKDDAIAATYPM-UHFFFAOYSA-N 1 2 221.304 2.406 10 0 BEAELO O=C1CC(c2ccsc2)=NN1[C@H]1CCC[NH2+]C1 ZINC000409438438 343844222 /nfs/dbraw/zinc/84/42/22/343844222.db2.gz LHYJJGBTWPHTQU-JTQLQIEISA-N 1 2 249.339 2.242 10 0 BEAELO O=c1cc(-c2ccsc2)[nH]n1[C@H]1CCC[NH2+]C1 ZINC000409438438 343844223 /nfs/dbraw/zinc/84/42/23/343844223.db2.gz LHYJJGBTWPHTQU-JTQLQIEISA-N 1 2 249.339 2.242 10 0 BEAELO COC(=[NH2+])CCc1c[nH]nc1-c1ccncc1 ZINC000409437817 343849051 /nfs/dbraw/zinc/84/90/51/343849051.db2.gz AETUBGNSZFBEEA-UHFFFAOYSA-N 1 2 230.271 2.028 10 0 BEAELO COC(=[NH2+])Cn1ccn2nc(C3CCC3)cc12 ZINC000409438380 343850841 /nfs/dbraw/zinc/85/08/41/343850841.db2.gz MLNJAEVXMNKUCR-UHFFFAOYSA-N 1 2 232.287 2.027 10 0 BEAELO COC(=[NH2+])CCc1c[nH]nc1-c1ccccn1 ZINC000409441712 343860439 /nfs/dbraw/zinc/86/04/39/343860439.db2.gz STNCEGAKUDTSDL-UHFFFAOYSA-N 1 2 230.271 2.028 10 0 BEAELO Cc1nc(N)cc([C@@H](C)c2ccccc2)[nH+]1 ZINC000575621824 343870382 /nfs/dbraw/zinc/87/03/82/343870382.db2.gz BJWMHRKXYKRZQQ-VIFPVBQESA-N 1 2 213.284 2.349 10 0 BEAELO Cc1nc([C@@H]2[NH2+]C[C@H](C)CS2)cs1 ZINC000126791429 344103345 /nfs/dbraw/zinc/10/33/45/344103345.db2.gz PDZOQTLVURCQBM-IMTBSYHQSA-N 1 2 214.359 2.423 10 0 BEAELO Cc1nc([C@@H]2[NH2+]C[C@@H](C)S2)cs1 ZINC000126782172 344099616 /nfs/dbraw/zinc/09/96/16/344099616.db2.gz BQRPVBWGSFSVFZ-SVGQVSJJSA-N 1 2 200.332 2.175 10 0 BEAELO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268351 537847923 /nfs/dbraw/zinc/84/79/23/537847923.db2.gz RCVJWXRCFCWNFE-ADEWGFFLSA-N 1 2 234.347 2.424 10 0 BEAELO O=C(C[N@@H+]1CCCSCC1)c1cccs1 ZINC000050157660 344650370 /nfs/dbraw/zinc/65/03/70/344650370.db2.gz USTHHHOJLHMPMB-UHFFFAOYSA-N 1 2 241.381 2.370 10 0 BEAELO O=C(C[N@H+]1CCCSCC1)c1cccs1 ZINC000050157660 344650372 /nfs/dbraw/zinc/65/03/72/344650372.db2.gz USTHHHOJLHMPMB-UHFFFAOYSA-N 1 2 241.381 2.370 10 0 BEAELO Cc1[nH]c(CN2CCO[C@H]3CCCC[C@H]32)[nH+]c1C ZINC000628146040 344825317 /nfs/dbraw/zinc/82/53/17/344825317.db2.gz CIQJIEHKWDRHMB-OLZOCXBDSA-N 1 2 249.358 2.170 10 0 BEAELO Brc1ncccc1-c1[nH]cc[nH+]1 ZINC000146166640 345253604 /nfs/dbraw/zinc/25/36/04/345253604.db2.gz HPIKZMZVXCXLDD-UHFFFAOYSA-N 1 2 224.061 2.234 10 0 BEAELO CCOC(=O)c1ccc2cc[nH+]c(NC)c2c1 ZINC000167272779 345290874 /nfs/dbraw/zinc/29/08/74/345290874.db2.gz YKFOBSKZGNOLGA-UHFFFAOYSA-N 1 2 230.267 2.453 10 0 BEAELO Nc1cn(Cc2ccccc2Cl)c[nH+]1 ZINC000074178339 537915621 /nfs/dbraw/zinc/91/56/21/537915621.db2.gz SOJWHLYFEGCMTR-UHFFFAOYSA-N 1 2 207.664 2.167 10 0 BEAELO c1nc([C@@H]2CCCC[N@H+]2C2CCCC2)n[nH]1 ZINC000182698992 347102973 /nfs/dbraw/zinc/10/29/73/347102973.db2.gz 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N[NH2+][C@@H](C1CC1)[C@@H]1CCCC(F)(F)C1 ZINC000300917173 352578775 /nfs/dbraw/zinc/57/87/75/352578775.db2.gz PIIHNLPDHRSGSC-BDAKNGLRSA-N 1 2 204.264 2.054 10 0 BEAELO COC(=O)[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000306345410 353005866 /nfs/dbraw/zinc/00/58/66/353005866.db2.gz OTVMWKSZIAVMEH-RXMQYKEDSA-N 1 2 240.111 2.228 10 0 BEAELO Brc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000307760754 353130458 /nfs/dbraw/zinc/13/04/58/353130458.db2.gz WVIRYJJJPLCVPA-SVRRBLITSA-N 1 2 243.104 2.031 10 0 BEAELO Brc1cc(C[N@H+]2CC[C@@H]3C[C@@H]32)on1 ZINC000307760754 353130461 /nfs/dbraw/zinc/13/04/61/353130461.db2.gz WVIRYJJJPLCVPA-SVRRBLITSA-N 1 2 243.104 2.031 10 0 BEAELO CC(C)(C)c1nc([C@@H]2COCC[NH2+]2)cs1 ZINC000083323699 188122831 /nfs/dbraw/zinc/12/28/31/188122831.db2.gz NBZXHWJODBKHGT-QMMMGPOBSA-N 1 2 226.345 2.102 10 0 BEAELO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ncc21 ZINC000309754868 188168916 /nfs/dbraw/zinc/16/89/16/188168916.db2.gz HJFAZQBRCUFAIE-KOLCDFICSA-N 1 2 237.372 2.271 10 0 BEAELO 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/nfs/dbraw/zinc/01/06/43/387010643.db2.gz PHFPJLMJMWWSKI-LBPRGKRZSA-N 1 2 247.294 2.100 10 0 BEAELO CC(C)c1[nH+]cc(Br)n1C ZINC000202456353 387027717 /nfs/dbraw/zinc/02/77/17/387027717.db2.gz JYNYCZMDFGQQLY-UHFFFAOYSA-N 1 2 203.083 2.306 10 0 BEAELO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)[nH]1 ZINC000392423361 387079459 /nfs/dbraw/zinc/07/94/59/387079459.db2.gz SMTYFGXPQGALAR-DTWKUNHWSA-N 1 2 234.303 2.426 10 0 BEAELO CC(C)c1nnc(C[N@@H+]2CCCC3(CC3)C2)n1C ZINC000186955275 387156129 /nfs/dbraw/zinc/15/61/29/387156129.db2.gz FAOGUEGCFGKHMN-UHFFFAOYSA-N 1 2 248.374 2.315 10 0 BEAELO CC(C)c1nnc(C[N@H+]2CCCC3(CC3)C2)n1C ZINC000186955275 387156132 /nfs/dbraw/zinc/15/61/32/387156132.db2.gz FAOGUEGCFGKHMN-UHFFFAOYSA-N 1 2 248.374 2.315 10 0 BEAELO O[C@@H]1CC[C@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000575601848 387368956 /nfs/dbraw/zinc/36/89/56/387368956.db2.gz GHEHQDLOWARYEX-DTWKUNHWSA-N 1 2 202.257 2.191 10 0 BEAELO CCn1cc[nH+]c1CSCc1noc(C)n1 ZINC000083632595 387418507 /nfs/dbraw/zinc/41/85/07/387418507.db2.gz ZCZQVJQHMPAGAE-UHFFFAOYSA-N 1 2 238.316 2.028 10 0 BEAELO C[C@H]([NH2+]Cc1cscn1)c1ccncc1 ZINC000040420962 387548437 /nfs/dbraw/zinc/54/84/37/387548437.db2.gz FQTASYTUZJXIMF-VIFPVBQESA-N 1 2 219.313 2.389 10 0 BEAELO Brc1cnccc1[C@@H]1[NH2+]CCS1 ZINC000575546773 387634726 /nfs/dbraw/zinc/63/47/26/387634726.db2.gz URPKZWCXZMFWJD-MRVPVSSYSA-N 1 2 245.145 2.179 10 0 BEAELO Cl/C=C/C[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000195513416 387923318 /nfs/dbraw/zinc/92/33/18/387923318.db2.gz KRJYFHVDNRFBKO-ORCRQEGFSA-N 1 2 225.723 2.342 10 0 BEAELO CCSCC[N@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081568652 388584757 /nfs/dbraw/zinc/58/47/57/388584757.db2.gz OOKHIRSJTAITJJ-SNVBAGLBSA-N 1 2 247.404 2.402 10 0 BEAELO CCSCC[N@@H+](C)[C@H](C)C(=O)OC(C)(C)C ZINC000081568652 388584759 /nfs/dbraw/zinc/58/47/59/388584759.db2.gz OOKHIRSJTAITJJ-SNVBAGLBSA-N 1 2 247.404 2.402 10 0 BEAELO CC(C)Cn1c[nH+]cc1CN1CCCCCC1=O ZINC000095510944 388776896 /nfs/dbraw/zinc/77/68/96/388776896.db2.gz SZTTYUDEVOBUQQ-UHFFFAOYSA-N 1 2 249.358 2.442 10 0 BEAELO [NH3+][C@@H](c1occc1Br)C1=CCCO1 ZINC000575509702 389003233 /nfs/dbraw/zinc/00/32/33/389003233.db2.gz ZMGTZSQPBCTPIS-MRVPVSSYSA-N 1 2 244.088 2.346 10 0 BEAELO CCO[C@@H]1CCCN(c2cc[nH+]c(C3CC3)n2)C1 ZINC000110280438 132267753 /nfs/dbraw/zinc/26/77/53/132267753.db2.gz IYDKFEIDSLZSKL-GFCCVEGCSA-N 1 2 247.342 2.359 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccco2)o1 ZINC000220876990 134316712 /nfs/dbraw/zinc/31/67/12/134316712.db2.gz PNZNJGXOPSJPQL-SECBINFHSA-N 1 2 206.245 2.427 10 0 BEAELO Cn1cc[nH+]c1CNc1cc(F)cc(F)c1F ZINC000061095505 134795498 /nfs/dbraw/zinc/79/54/98/134795498.db2.gz DAWZTCDDZHPBBG-UHFFFAOYSA-N 1 2 241.216 2.450 10 0 BEAELO CN1c2ccccc2NC[C@@H]1c1ccc[nH+]c1N ZINC000616683933 397925824 /nfs/dbraw/zinc/92/58/24/397925824.db2.gz VQUSEWMCUPSAPB-CYBMUJFWSA-N 1 2 240.310 2.267 10 0 BEAELO CC[C@@H]1CS[C@@H](c2nccn2CC)[NH2+]1 ZINC000307264449 398047799 /nfs/dbraw/zinc/04/77/99/398047799.db2.gz FPXKPLXVBMAGGG-SCZZXKLOSA-N 1 2 211.334 2.017 10 0 BEAELO CC[C@H]1CS[C@@H](c2nccn2CC)[NH2+]1 ZINC000307264463 398048127 /nfs/dbraw/zinc/04/81/27/398048127.db2.gz FPXKPLXVBMAGGG-WPRPVWTQSA-N 1 2 211.334 2.017 10 0 BEAELO Brc1cnc(-n2cc[nH+]c2)s1 ZINC000044117852 166104440 /nfs/dbraw/zinc/10/44/40/166104440.db2.gz NAOLPISHAKGHFK-UHFFFAOYSA-N 1 2 230.090 2.091 10 0 BEAELO CC(C)n1cc[nH+]c1CN1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661547620 410744140 /nfs/dbraw/zinc/74/41/40/410744140.db2.gz YHEMZOCIFIBSAM-VXGBXAGGSA-N 1 2 249.358 2.121 10 0 BEAELO Cc1cc(NC(C)(C)COC(C)C)nc[nH+]1 ZINC000396363430 411265600 /nfs/dbraw/zinc/26/56/00/411265600.db2.gz KEJAFNRLMTVACB-UHFFFAOYSA-N 1 2 223.320 2.401 10 0 BEAELO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csnn1 ZINC000127782401 411252955 /nfs/dbraw/zinc/25/29/55/411252955.db2.gz XKZIGYIRYRCFRP-DTWKUNHWSA-N 1 2 211.334 2.159 10 0 BEAELO C[C@@H]1CC[C@H](C)C[N@@H+]1Cc1csnn1 ZINC000127782401 411252957 /nfs/dbraw/zinc/25/29/57/411252957.db2.gz XKZIGYIRYRCFRP-DTWKUNHWSA-N 1 2 211.334 2.159 10 0 BEAELO CC1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CCC1 ZINC000175130896 168034806 /nfs/dbraw/zinc/03/48/06/168034806.db2.gz HYPPFKPBAFKHEA-LLVKDONJSA-N 1 2 247.342 2.067 10 0 BEAELO CC(C)c1nc(C2([NH3+])CCC(C)CC2)n[nH]1 ZINC000041058467 168160607 /nfs/dbraw/zinc/16/06/07/168160607.db2.gz HBEJKEXTNKDAIU-UHFFFAOYSA-N 1 2 222.336 2.292 10 0 BEAELO CCC(=O)NCc1cn2cc(Cl)ccc2[nH+]1 ZINC000042799366 168233876 /nfs/dbraw/zinc/23/38/76/168233876.db2.gz RXHOJWYDUNSNMC-UHFFFAOYSA-N 1 2 237.690 2.014 10 0 BEAELO CCC(C)(C)C(=O)Nc1cc[nH+]cc1N ZINC000062725811 168269053 /nfs/dbraw/zinc/26/90/53/168269053.db2.gz KBSZUIIIESHUFC-UHFFFAOYSA-N 1 2 207.277 2.039 10 0 BEAELO CC[NH2+][C@@](CC)(C(=O)OCC)c1ccccc1 ZINC000037447196 170155079 /nfs/dbraw/zinc/15/50/79/170155079.db2.gz HWQNJCFYXLZGJR-CQSZACIVSA-N 1 2 235.327 2.465 10 0 BEAELO CCNc1cc(C)[nH+]c(-c2ccncc2)n1 ZINC000050308671 170172116 /nfs/dbraw/zinc/17/21/16/170172116.db2.gz XDZRCFFAGPKBCD-UHFFFAOYSA-N 1 2 214.272 2.279 10 0 BEAELO CCNc1nc([C@H]2CCOC2)[nH+]c(C)c1C ZINC000051691667 170176582 /nfs/dbraw/zinc/17/65/82/170176582.db2.gz QIXALZIFKVPSEG-JTQLQIEISA-N 1 2 221.304 2.029 10 0 BEAELO CCNc1[nH+]cnc(N(C)c2ccccc2)c1N ZINC000040707310 170178385 /nfs/dbraw/zinc/17/83/85/170178385.db2.gz BPFXYKQOKUMQLP-UHFFFAOYSA-N 1 2 243.314 2.259 10 0 BEAELO CCNc1nc[nH+]c(N(C)c2ccccc2)c1N ZINC000040707310 170178386 /nfs/dbraw/zinc/17/83/86/170178386.db2.gz BPFXYKQOKUMQLP-UHFFFAOYSA-N 1 2 243.314 2.259 10 0 BEAELO CCOC(=[NH2+])c1cc(OC)c(OC)cc1OC ZINC000037928131 170179936 /nfs/dbraw/zinc/17/99/36/170179936.db2.gz HYSUTXVXJNBESG-UHFFFAOYSA-N 1 2 239.271 2.074 10 0 BEAELO CCOC(=O)C[NH2+]Cc1cccc2ccccc21 ZINC000037563476 170225794 /nfs/dbraw/zinc/22/57/94/170225794.db2.gz WKLXVRQXMMUVJD-UHFFFAOYSA-N 1 2 243.306 2.493 10 0 BEAELO CCOC(=O)C[NH2+][C@@H](CC)c1cccs1 ZINC000037472527 170226167 /nfs/dbraw/zinc/22/61/67/170226167.db2.gz STSCRUHPXADQSJ-VIFPVBQESA-N 1 2 227.329 2.352 10 0 BEAELO CCOC(=O)[C@@](C)(CCc1ccccc1)[NH2+]C ZINC000037458697 170260344 /nfs/dbraw/zinc/26/03/44/170260344.db2.gz LKEXKXFCOWUNMU-CQSZACIVSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1ccc(Cl)c(F)c1 ZINC000049808680 170276227 /nfs/dbraw/zinc/27/62/27/170276227.db2.gz SAEQJTISUUDSCS-SECBINFHSA-N 1 2 231.654 2.042 10 0 BEAELO CC[C@@H]1C[N@@H+]1[C@H](COC)c1ccccc1 ZINC000256000595 171100190 /nfs/dbraw/zinc/10/01/90/171100190.db2.gz RYVJPLDAEFFOTE-ZFXTZCCVSA-N 1 2 205.301 2.468 10 0 BEAELO CC[C@@H]1C[N@H+]1[C@H](COC)c1ccccc1 ZINC000256000595 171100193 /nfs/dbraw/zinc/10/01/93/171100193.db2.gz RYVJPLDAEFFOTE-ZFXTZCCVSA-N 1 2 205.301 2.468 10 0 BEAELO CC[C@H](C)CN(C)c1[nH+]cccc1CO ZINC000040877625 171275563 /nfs/dbraw/zinc/27/55/63/171275563.db2.gz YFPZUPKQMWVBJU-JTQLQIEISA-N 1 2 208.305 2.056 10 0 BEAELO CCc1nc([C@@H]([NH3+])c2ccc(C)s2)no1 ZINC000041676995 172005131 /nfs/dbraw/zinc/00/51/31/172005131.db2.gz NQLIOQZGNFEYKT-VIFPVBQESA-N 1 2 223.301 2.050 10 0 BEAELO CCn1cc([C@H]2C[N@H+](CC=C(C)C)CCO2)cn1 ZINC000190761454 172199722 /nfs/dbraw/zinc/19/97/22/172199722.db2.gz ILFDQWSSEQIOET-CQSZACIVSA-N 1 2 249.358 2.243 10 0 BEAELO CCn1cc([C@H]2C[N@@H+](CC=C(C)C)CCO2)cn1 ZINC000190761454 172199723 /nfs/dbraw/zinc/19/97/23/172199723.db2.gz ILFDQWSSEQIOET-CQSZACIVSA-N 1 2 249.358 2.243 10 0 BEAELO CCn1cc[nH+]c1CSc1ccc(N)nc1 ZINC000054743643 172225888 /nfs/dbraw/zinc/22/58/88/172225888.db2.gz WGFAOSYNAJOZJQ-UHFFFAOYSA-N 1 2 234.328 2.173 10 0 BEAELO CCn1cc[nH+]c1CSc1ncccc1N ZINC000054743641 172226592 /nfs/dbraw/zinc/22/65/92/172226592.db2.gz PZMLHUPLDCXXGF-UHFFFAOYSA-N 1 2 234.328 2.173 10 0 BEAELO C[N@@H+]1CCC[C@@H]1c1cc(C(F)(F)F)no1 ZINC000027520479 173036902 /nfs/dbraw/zinc/03/69/02/173036902.db2.gz FWHNOWPJAAFWNU-ZCFIWIBFSA-N 1 2 220.194 2.460 10 0 BEAELO C[N@H+]1CCC[C@@H]1c1cc(C(F)(F)F)no1 ZINC000027520479 173036905 /nfs/dbraw/zinc/03/69/05/173036905.db2.gz FWHNOWPJAAFWNU-ZCFIWIBFSA-N 1 2 220.194 2.460 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@H]1CCCC[C@H]1C ZINC000061171909 173319740 /nfs/dbraw/zinc/31/97/40/173319740.db2.gz BQKAJEVCHCXMHG-ZJUUUORDSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]CC(=O)OCc1ccc(C(C)C)cc1 ZINC000077332267 173334696 /nfs/dbraw/zinc/33/46/96/173334696.db2.gz ZBMWHINEKGADQD-UHFFFAOYSA-N 1 2 221.300 2.073 10 0 BEAELO C[NH2+]CC(=O)OCCc1c(C)c(C)cc(C)c1C ZINC000077429220 173335063 /nfs/dbraw/zinc/33/50/63/173335063.db2.gz NSVDARCIWKTARZ-UHFFFAOYSA-N 1 2 249.354 2.225 10 0 BEAELO C[NH2+]CC(=O)OCc1ccc(C(C)(C)C)cc1 ZINC000077371100 173335131 /nfs/dbraw/zinc/33/51/31/173335131.db2.gz PZLNMWUUUJQXLV-UHFFFAOYSA-N 1 2 235.327 2.247 10 0 BEAELO CNc1cc(SC)c(OC2CC2)c[nH+]1 ZINC000095729558 173475052 /nfs/dbraw/zinc/47/50/52/173475052.db2.gz SSNCADXNQCHKNQ-UHFFFAOYSA-N 1 2 210.302 2.386 10 0 BEAELO COC(=O)[C@@H](C)[NH2+]C1CC(c2cccc(C)c2)C1 ZINC000042304522 173688984 /nfs/dbraw/zinc/68/89/84/173688984.db2.gz QPEPENOCKMRLGG-LMWSTFAQSA-N 1 2 247.338 2.392 10 0 BEAELO COC(=O)[C@@H](Nc1cc[nH+]cc1)c1ccccc1 ZINC000050506493 173713448 /nfs/dbraw/zinc/71/34/48/173713448.db2.gz DMPBMWAUIHTJFH-ZDUSSCGKSA-N 1 2 242.278 2.408 10 0 BEAELO COCCCN(C)c1ccc2[nH+]cccc2c1N ZINC000062031565 174220005 /nfs/dbraw/zinc/22/00/05/174220005.db2.gz LXVJLOUFYKCPFE-UHFFFAOYSA-N 1 2 245.326 2.290 10 0 BEAELO COCC[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000336763086 174340016 /nfs/dbraw/zinc/34/00/16/174340016.db2.gz LXGNPSUTUSCBHT-LLVKDONJSA-N 1 2 229.270 2.099 10 0 BEAELO COc1cc(C)[nH+]c(CNCC(F)(F)F)c1 ZINC000125956433 174971999 /nfs/dbraw/zinc/97/19/99/174971999.db2.gz LWOWIQBFHMOWAA-UHFFFAOYSA-N 1 2 234.221 2.051 10 0 BEAELO COc1cc2c(c(OC)c1)[NH2+]CC2(C)C ZINC000082594262 175009062 /nfs/dbraw/zinc/00/90/62/175009062.db2.gz OFFLZPBRHNLYTQ-UHFFFAOYSA-N 1 2 207.273 2.407 10 0 BEAELO COc1cc2c(cc1OC)C[C@H](C)[NH+]=C2 ZINC000004262286 175024394 /nfs/dbraw/zinc/02/43/94/175024394.db2.gz JPRGVFYGQHOMSM-QMMMGPOBSA-N 1 2 205.257 2.067 10 0 BEAELO COc1cc2ccc[nH+]c2c(N2CCCC2)c1N ZINC000082308161 175027459 /nfs/dbraw/zinc/02/74/59/175027459.db2.gz SUDNZAWMEPVPRT-UHFFFAOYSA-N 1 2 243.310 2.426 10 0 BEAELO COc1ccc(-c2cc(N)nc(C)[nH+]2)cc1F ZINC000071536759 175031246 /nfs/dbraw/zinc/03/12/46/175031246.db2.gz BPWGIRUSWKLUQF-UHFFFAOYSA-N 1 2 233.246 2.182 10 0 BEAELO COc1ccc(C2=[NH+]CCC2)c(OC)c1 ZINC000026442946 175085403 /nfs/dbraw/zinc/08/54/03/175085403.db2.gz QWXPZPXPJXDJSV-UHFFFAOYSA-N 1 2 205.257 2.287 10 0 BEAELO COc1cccc(-c2nc(N)cc(C)[nH+]2)c1 ZINC000050845103 175235956 /nfs/dbraw/zinc/23/59/56/175235956.db2.gz SNFKYCXWZKQGIS-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO COc1cccc(COCc2ccc(N)[nH+]c2)c1 ZINC000050830158 175270153 /nfs/dbraw/zinc/27/01/53/175270153.db2.gz AKXZCSRDTLEZHN-UHFFFAOYSA-N 1 2 244.294 2.389 10 0 BEAELO COc1cccc(NCc2[nH]c[nH+]c2C)c1 ZINC000054793922 175279394 /nfs/dbraw/zinc/27/93/94/175279394.db2.gz WPXYCCOKMHVHNC-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccccc1[C@H](C)[NH2+]Cc1nc(C)no1 ZINC000037980620 175352322 /nfs/dbraw/zinc/35/23/22/175352322.db2.gz FENOLQAJSIVUAE-VIFPVBQESA-N 1 2 247.298 2.237 10 0 BEAELO COc1c[nH+]cc(OC2CC2)c1OC(C)C ZINC000095731158 175386435 /nfs/dbraw/zinc/38/64/35/175386435.db2.gz QFMQUBWYGWOJDK-UHFFFAOYSA-N 1 2 223.272 2.419 10 0 BEAELO C[C@@H]1CC(=O)C[N@H+](Cc2ccccc2)[C@@H]1C ZINC000068593131 176048486 /nfs/dbraw/zinc/04/84/86/176048486.db2.gz GBNPXKCPQPNLBB-VXGBXAGGSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1CC(=O)C[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068593131 176048487 /nfs/dbraw/zinc/04/84/87/176048487.db2.gz GBNPXKCPQPNLBB-VXGBXAGGSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261410 176361235 /nfs/dbraw/zinc/36/12/35/176361235.db2.gz JPQSIQUAQMFLSO-BZPMIXESSA-N 1 2 233.359 2.059 10 0 BEAELO C[C@H](O)c1ccccc1NCc1c[nH+]c[nH]1 ZINC000054765232 177017991 /nfs/dbraw/zinc/01/79/91/177017991.db2.gz PJUMSFHNWWXCPD-VIFPVBQESA-N 1 2 217.272 2.075 10 0 BEAELO C[C@H](O)c1ccccc1NCc1c[nH]c[nH+]1 ZINC000054765232 177017993 /nfs/dbraw/zinc/01/79/93/177017993.db2.gz PJUMSFHNWWXCPD-VIFPVBQESA-N 1 2 217.272 2.075 10 0 BEAELO C[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000169616728 177060400 /nfs/dbraw/zinc/06/04/00/177060400.db2.gz BTDSRZRPAVDUQC-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1=O ZINC000169616728 177060402 /nfs/dbraw/zinc/06/04/02/177060402.db2.gz BTDSRZRPAVDUQC-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H]1C[N@H+](CCOC2CCCCC2)CCC1=O ZINC000104433910 177252839 /nfs/dbraw/zinc/25/28/39/177252839.db2.gz XXVFXTDHDPMBLG-LBPRGKRZSA-N 1 2 239.359 2.247 10 0 BEAELO C[C@H]1C[N@@H+](CCOC2CCCCC2)CCC1=O ZINC000104433910 177252841 /nfs/dbraw/zinc/25/28/41/177252841.db2.gz XXVFXTDHDPMBLG-LBPRGKRZSA-N 1 2 239.359 2.247 10 0 BEAELO C[C@H]1C[C@@H]([NH2+]Cc2ncn[nH]2)CC(C)(C)C1 ZINC000037919059 177333536 /nfs/dbraw/zinc/33/35/36/177333536.db2.gz AVWSJJOLLRCAOM-VHSXEESVSA-N 1 2 222.336 2.109 10 0 BEAELO C[C@H]1C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075514470 177349368 /nfs/dbraw/zinc/34/93/68/177349368.db2.gz IUNJXJYEQYUWLB-GWCFXTLKSA-N 1 2 241.294 2.011 10 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CC(C)=CC(=O)NCc1[nH+]ccn1CC(C)C ZINC000131442757 591609925 /nfs/dbraw/zinc/60/99/25/591609925.db2.gz PPDSWQHQOXAWMZ-UHFFFAOYSA-N 1 2 235.331 2.122 10 0 BEAELO COC[C@@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000131670266 591637040 /nfs/dbraw/zinc/63/70/40/591637040.db2.gz AXAJIPORRAGDJA-JTQLQIEISA-N 1 2 239.315 2.398 10 0 BEAELO Cc1cc(C[NH2+][C@H](C)c2cncs2)no1 ZINC000132681762 591730850 /nfs/dbraw/zinc/73/08/50/591730850.db2.gz HJCKLGDMJPNRIL-MRVPVSSYSA-N 1 2 223.301 2.290 10 0 BEAELO c1cc(C[NH2+]Cc2cncc3ccccc32)[nH]n1 ZINC000135378662 592011065 /nfs/dbraw/zinc/01/10/65/592011065.db2.gz RMMFKOFCZNQJMS-UHFFFAOYSA-N 1 2 238.294 2.248 10 0 BEAELO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cncc(F)c1 ZINC000235197380 632524168 /nfs/dbraw/zinc/52/41/68/632524168.db2.gz VFYIAUAIMMABIJ-BDAKNGLRSA-N 1 2 234.278 2.356 10 0 BEAELO c1cc2c([nH]1)CCC[C@H]2[NH2+]Cc1csnn1 ZINC000309414627 633037328 /nfs/dbraw/zinc/03/73/28/633037328.db2.gz YMMURMFKSLHPMK-LLVKDONJSA-N 1 2 234.328 2.033 10 0 BEAELO C[NH+](C)c1ccc(NCc2cncnc2)cc1 ZINC000054767284 640408329 /nfs/dbraw/zinc/40/83/29/640408329.db2.gz TTWFFPAAXOUTOU-UHFFFAOYSA-N 1 2 228.299 2.155 10 0 BEAELO CCCCOC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000246498729 644591707 /nfs/dbraw/zinc/59/17/07/644591707.db2.gz AXYLYBDMFUFTST-WDEREUQCSA-N 1 2 245.388 2.156 10 0 BEAELO CCCCOC(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)C1 ZINC000246498729 644591710 /nfs/dbraw/zinc/59/17/10/644591710.db2.gz AXYLYBDMFUFTST-WDEREUQCSA-N 1 2 245.388 2.156 10 0 BEAELO C[C@H]1CCC(=O)C[N@@H+]1CC1CC(F)(F)C1 ZINC000725666925 711759869 /nfs/dbraw/zinc/75/98/69/711759869.db2.gz NYZSSRDGFOVWAP-QMMMGPOBSA-N 1 2 217.259 2.085 10 0 BEAELO C[C@H]1CCC(=O)C[N@H+]1CC1CC(F)(F)C1 ZINC000725666925 711759871 /nfs/dbraw/zinc/75/98/71/711759871.db2.gz NYZSSRDGFOVWAP-QMMMGPOBSA-N 1 2 217.259 2.085 10 0 BEAELO Clc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)nn1 ZINC000706731302 712153439 /nfs/dbraw/zinc/15/34/39/712153439.db2.gz DUEHRKVCJQMDAR-WCBMZHEXSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]32)nn1 ZINC000706731302 712153441 /nfs/dbraw/zinc/15/34/41/712153441.db2.gz DUEHRKVCJQMDAR-WCBMZHEXSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)nn1 ZINC000706731300 712153477 /nfs/dbraw/zinc/15/34/77/712153477.db2.gz DUEHRKVCJQMDAR-PSASIEDQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@H+]2C[C@H]3CCC[C@H]32)nn1 ZINC000706731300 712153478 /nfs/dbraw/zinc/15/34/78/712153478.db2.gz DUEHRKVCJQMDAR-PSASIEDQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)nn1 ZINC000706731303 712153545 /nfs/dbraw/zinc/15/35/45/712153545.db2.gz DUEHRKVCJQMDAR-WPRPVWTQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]32)nn1 ZINC000706731303 712153546 /nfs/dbraw/zinc/15/35/46/712153546.db2.gz DUEHRKVCJQMDAR-WPRPVWTQSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1cnc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cn1 ZINC000706916941 712158395 /nfs/dbraw/zinc/15/83/95/712158395.db2.gz UEAYNMCTEUIHHB-SCZZXKLOSA-N 1 2 223.707 2.114 10 0 BEAELO Clc1cnc(C[N@H+]2C[C@H]3CCC[C@@H]32)cn1 ZINC000706916941 712158396 /nfs/dbraw/zinc/15/83/96/712158396.db2.gz UEAYNMCTEUIHHB-SCZZXKLOSA-N 1 2 223.707 2.114 10 0 BEAELO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cn(C)nn2)c(C)o1 ZINC000715885442 712539879 /nfs/dbraw/zinc/53/98/79/712539879.db2.gz SDWKILIAIBIXAN-ZJUUUORDSA-N 1 2 248.330 2.437 10 0 BEAELO C[C@@H]([NH2+]CC(F)(F)C(F)F)[C@H]1CCCO1 ZINC000379904088 712622774 /nfs/dbraw/zinc/62/27/74/712622774.db2.gz JKRQZUILYKADKH-RNFRBKRXSA-N 1 2 229.217 2.044 10 0 BEAELO CC[C@H](C)[C@@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000685963577 538910569 /nfs/dbraw/zinc/91/05/69/538910569.db2.gz SVWGGLSDQZBBHO-HJIKLVIJSA-N 1 2 220.316 2.012 10 0 BEAELO CC(C)(C)[C@H]1Nc2ccc([NH3+])cc2C[C@@H]1O ZINC000685963508 538910141 /nfs/dbraw/zinc/91/01/41/538910141.db2.gz QSXQWTJVXWMOCP-RYUDHWBXSA-N 1 2 220.316 2.012 10 0 BEAELO CNc1nc(NC)c2cc(C)sc2[nH+]1 ZINC000234538249 398177655 /nfs/dbraw/zinc/17/76/55/398177655.db2.gz SJUKSLOBXDJFPT-UHFFFAOYSA-N 1 2 208.290 2.083 10 0 BEAELO Cc1cc(F)ccc1NCc1[nH+]ccn1C ZINC000036804685 178090267 /nfs/dbraw/zinc/09/02/67/178090267.db2.gz ZZBKZVJELWUNMP-UHFFFAOYSA-N 1 2 219.263 2.480 10 0 BEAELO Cc1cc([NH3+])ccc1N[C@H]1CCCC[C@@H]1O ZINC000051998562 178107020 /nfs/dbraw/zinc/10/70/20/178107020.db2.gz HRHCTZKWWPUHPD-STQMWFEESA-N 1 2 220.316 2.293 10 0 BEAELO Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc[nH+]1 ZINC000119558574 178140769 /nfs/dbraw/zinc/14/07/69/178140769.db2.gz PJKITKHNVULNRG-CMPLNLGQSA-N 1 2 249.314 2.079 10 0 BEAELO COc1ncc(CNc2c[nH+]ccc2C)s1 ZINC000381060412 398219370 /nfs/dbraw/zinc/21/93/70/398219370.db2.gz KWJNDYNRRFAMAP-UHFFFAOYSA-N 1 2 235.312 2.467 10 0 BEAELO Cc1cc(OCCCn2cc[nH+]c2)ccc1N ZINC000049326926 178211047 /nfs/dbraw/zinc/21/10/47/178211047.db2.gz SMWXRHGEALEJGG-UHFFFAOYSA-N 1 2 231.299 2.243 10 0 BEAELO Cc1cc([C@@H](C)[NH2+]Cc2nccn2C)c(C)o1 ZINC000044730517 178229688 /nfs/dbraw/zinc/22/96/88/178229688.db2.gz KLPBELPBQCYKGR-SNVBAGLBSA-N 1 2 233.315 2.481 10 0 BEAELO Cc1cc([C@H](C)[NH2+]Cc2nccn2C)c(C)o1 ZINC000044730518 178251844 /nfs/dbraw/zinc/25/18/44/178251844.db2.gz KLPBELPBQCYKGR-JTQLQIEISA-N 1 2 233.315 2.481 10 0 BEAELO Cc1cc2[nH+]c(CCCO)n(C)c2cc1C ZINC000040310913 178302377 /nfs/dbraw/zinc/30/23/77/178302377.db2.gz XMBAYHQJRJCSAO-UHFFFAOYSA-N 1 2 218.300 2.115 10 0 BEAELO Cc1ccc(Br)n2cc[nH+]c12 ZINC000167573915 178362398 /nfs/dbraw/zinc/36/23/98/178362398.db2.gz DDJOYISGHIDELA-UHFFFAOYSA-N 1 2 211.062 2.405 10 0 BEAELO Cc1ccc(C(=O)Cn2cc[nH+]c2)cc1C ZINC000037340554 178375225 /nfs/dbraw/zinc/37/52/25/178375225.db2.gz VLQGOIHZUVMFKK-UHFFFAOYSA-N 1 2 214.268 2.383 10 0 BEAELO COc1cc2c(cc1O)CC(C)(C)[NH+]=C2 ZINC000147934060 342783130 /nfs/dbraw/zinc/78/31/30/342783130.db2.gz ATKCQKBTIIOEIC-UHFFFAOYSA-N 1 2 205.257 2.154 10 0 BEAELO CCc1cc(N[C@@]2(C)CCCOC2)nc[nH+]1 ZINC000381742528 539006647 /nfs/dbraw/zinc/00/66/47/539006647.db2.gz PFURILMLTNDKNQ-LBPRGKRZSA-N 1 2 221.304 2.020 10 0 BEAELO C[C@@H]1C[C@H](C)SC(NCC(F)(F)F)=[NH+]1 ZINC000164952456 342859570 /nfs/dbraw/zinc/85/95/70/342859570.db2.gz XKBMVZJDCZPSNQ-RITPCOANSA-N 1 2 226.267 2.408 10 0 BEAELO CCn1nccc1[C@H]1[NH2+]CC[C@@H](C)S1 ZINC000164944158 342860562 /nfs/dbraw/zinc/86/05/62/342860562.db2.gz QPQHPDOYTUMLPT-SCZZXKLOSA-N 1 2 211.334 2.017 10 0 BEAELO O=C(c1ccccc1)N1CCNc2[nH+]cccc21 ZINC000116635418 342929900 /nfs/dbraw/zinc/92/99/00/342929900.db2.gz GTXUZDWSUMPFJN-UHFFFAOYSA-N 1 2 239.278 2.154 10 0 BEAELO CNc1c(N)c[nH+]c2c(OC)cc(F)cc12 ZINC000584882580 343085136 /nfs/dbraw/zinc/08/51/36/343085136.db2.gz LAGWIKCUPRDEQP-UHFFFAOYSA-N 1 2 221.235 2.006 10 0 BEAELO CC[C@@H](C)Nc1nc[nH+]c(N)c1Br ZINC000233838061 343074443 /nfs/dbraw/zinc/07/44/43/343074443.db2.gz DPRNNSJYSSTUSK-RXMQYKEDSA-N 1 2 245.124 2.032 10 0 BEAELO CC[C@@H](C)Nc1[nH+]cnc(N)c1Br ZINC000233838061 343074444 /nfs/dbraw/zinc/07/44/44/343074444.db2.gz DPRNNSJYSSTUSK-RXMQYKEDSA-N 1 2 245.124 2.032 10 0 BEAELO COc1cc(C(C)=O)ccc1-n1c[nH+]c(C)c1 ZINC000038540409 343376727 /nfs/dbraw/zinc/37/67/27/343376727.db2.gz 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WFHVNYOCBMJLJC-HTQZYQBOSA-N 1 2 210.325 2.148 10 0 BEAELO Nc1ccc(-c2[nH+]ccn2CCF)cc1 ZINC000087775429 538569517 /nfs/dbraw/zinc/56/95/17/538569517.db2.gz LLHORLYKDNQSDM-UHFFFAOYSA-N 1 2 205.236 2.102 10 0 BEAELO Cc1cc(C[NH2+]Cc2ccn[nH]2)cc(C)c1O ZINC000041014840 358241465 /nfs/dbraw/zinc/24/14/65/358241465.db2.gz PPAFQTMFDNAPKB-UHFFFAOYSA-N 1 2 231.299 2.022 10 0 BEAELO COc1ccc(OCCCC[NH+]2CC2)cc1 ZINC000584591623 358249713 /nfs/dbraw/zinc/24/97/13/358249713.db2.gz AYQJXKVAIUOHCI-UHFFFAOYSA-N 1 2 221.300 2.170 10 0 BEAELO Cc1[nH+]c(N)[nH]c1-c1cccc(F)c1F ZINC000584644524 358329465 /nfs/dbraw/zinc/32/94/65/358329465.db2.gz XPQFGDZWHLLMBB-UHFFFAOYSA-N 1 2 209.199 2.076 10 0 BEAELO CC(C)Cn1cc[nH+]c1CNC(=O)C(C)(C)C ZINC000131234929 358666054 /nfs/dbraw/zinc/66/60/54/358666054.db2.gz PPQFFLXZFNVVNP-UHFFFAOYSA-N 1 2 237.347 2.201 10 0 BEAELO CC[C@@H](C)C[S@](=O)Cc1[nH+]ccn1CC ZINC000133723471 358766605 /nfs/dbraw/zinc/76/66/05/358766605.db2.gz SFNLSPLKACNRMV-MEBBXXQBSA-N 1 2 228.361 2.198 10 0 BEAELO CCC(C)(CC)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000132434474 358723133 /nfs/dbraw/zinc/72/31/33/358723133.db2.gz NXHUMKOXFNJULY-LLVKDONJSA-N 1 2 249.358 2.140 10 0 BEAELO C[S@](=O)CCCNc1ccc2ccccc2[nH+]1 ZINC000134710501 358802722 /nfs/dbraw/zinc/80/27/22/358802722.db2.gz NBDIFVCQFDLSIW-QGZVFWFLSA-N 1 2 248.351 2.415 10 0 BEAELO COc1ncc([C@@H]2[NH2+]C[C@H](C)CS2)s1 ZINC000306158100 358953004 /nfs/dbraw/zinc/95/30/04/358953004.db2.gz DECCUPOPWKMGFQ-POYBYMJQSA-N 1 2 230.358 2.123 10 0 BEAELO CCNc1nc(NCc2ccccc2)nc(C)[nH+]1 ZINC000224476124 359741056 /nfs/dbraw/zinc/74/10/56/359741056.db2.gz ZNOOAWWLCLKNRD-UHFFFAOYSA-N 1 2 243.314 2.224 10 0 BEAELO CCNc1nc(C)[nH+]c(NCc2ccccc2)n1 ZINC000224476124 359741059 /nfs/dbraw/zinc/74/10/59/359741059.db2.gz ZNOOAWWLCLKNRD-UHFFFAOYSA-N 1 2 243.314 2.224 10 0 BEAELO Brc1cscc1[C@@H]1COCC[NH2+]1 ZINC000237974346 360210075 /nfs/dbraw/zinc/21/00/75/360210075.db2.gz DOJHVMVBMOHGIB-QMMMGPOBSA-N 1 2 248.145 2.172 10 0 BEAELO c1coc([C@H]2CCC[N@H+]2Cc2cc[nH]n2)c1 ZINC000093335437 360232846 /nfs/dbraw/zinc/23/28/46/360232846.db2.gz RLIHVHWKGWCHQF-LLVKDONJSA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@H]2CCC[N@@H+]2Cc2cc[nH]n2)c1 ZINC000093335437 360232852 /nfs/dbraw/zinc/23/28/52/360232852.db2.gz RLIHVHWKGWCHQF-LLVKDONJSA-N 1 2 217.272 2.340 10 0 BEAELO Cc1ncc([C@@H]2[NH2+]CCCS2)s1 ZINC000306528644 360377765 /nfs/dbraw/zinc/37/77/65/360377765.db2.gz HJJRKRANSUGZFV-MRVPVSSYSA-N 1 2 200.332 2.177 10 0 BEAELO Cc1nc(-c2ccc(N)[nH+]c2C)cs1 ZINC000306565185 360443492 /nfs/dbraw/zinc/44/34/92/360443492.db2.gz XOQFWHHPEJTOIA-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO C[C@@H](NC1=[NH+][C@H](C)CCS1)C(F)(F)F ZINC000306559587 360433948 /nfs/dbraw/zinc/43/39/48/360433948.db2.gz QQXDYRCOPHWKIC-PHDIDXHHSA-N 1 2 226.267 2.408 10 0 BEAELO NC(=S)c1cc[nH+]c(NC2CCCCC2)c1 ZINC000019481469 181321935 /nfs/dbraw/zinc/32/19/35/181321935.db2.gz RCWLFOBMUNOHIL-UHFFFAOYSA-N 1 2 235.356 2.460 10 0 BEAELO [NH3+][C@@H](c1ncon1)c1ccccc1C(F)(F)F ZINC000036762138 361397591 /nfs/dbraw/zinc/39/75/91/361397591.db2.gz PDNCLTIQJOFLST-MRVPVSSYSA-N 1 2 243.188 2.137 10 0 BEAELO C[C@@H]1CCC[C@@H](CC[N@@H+]2CCC(=O)C2)C1 ZINC000070532644 361531392 /nfs/dbraw/zinc/53/13/92/361531392.db2.gz MYQNFOKMYVROSQ-NEPJUHHUSA-N 1 2 209.333 2.478 10 0 BEAELO C[C@@H]1CCC[C@@H](CC[N@H+]2CCC(=O)C2)C1 ZINC000070532644 361531400 /nfs/dbraw/zinc/53/14/00/361531400.db2.gz MYQNFOKMYVROSQ-NEPJUHHUSA-N 1 2 209.333 2.478 10 0 BEAELO CC(C)(C)OC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000725263519 541337080 /nfs/dbraw/zinc/33/70/80/541337080.db2.gz MOTKQUFMKZGIBV-QJPTWQEYSA-N 1 2 239.359 2.496 10 0 BEAELO CC[C@@H](C)[C@@H]([NH3+])c1n[nH]c(C2CCC2)n1 ZINC000675060563 541386626 /nfs/dbraw/zinc/38/66/26/541386626.db2.gz IZHSMQHCNSEJSC-VXNVDRBHSA-N 1 2 208.309 2.118 10 0 BEAELO CCC(=O)c1ccc(C[NH+]2CCOCC2)cc1 ZINC000203769817 368977017 /nfs/dbraw/zinc/97/70/17/368977017.db2.gz QVCGWMWKHDEQRM-UHFFFAOYSA-N 1 2 233.311 2.112 10 0 BEAELO CC1(C)CS[C@H](c2nccs2)[NH2+]1 ZINC000161614945 370606275 /nfs/dbraw/zinc/60/62/75/370606275.db2.gz KROKQSZVSZHWBQ-SSDOTTSWSA-N 1 2 200.332 2.257 10 0 BEAELO [NH3+]N1CC[C@H](c2ccccc2Br)C1 ZINC000077387086 181510646 /nfs/dbraw/zinc/51/06/46/181510646.db2.gz QPBPCWVQPWASLN-QMMMGPOBSA-N 1 2 241.132 2.112 10 0 BEAELO C[NH2+]CC(F)(F)c1cc(F)cc(F)c1 ZINC000131804819 371683293 /nfs/dbraw/zinc/68/32/93/371683293.db2.gz TYDJPFORXBFDRK-UHFFFAOYSA-N 1 2 207.170 2.276 10 0 BEAELO Nc1c(Br)cccc1-n1cc[nH+]c1 ZINC000217064863 371878970 /nfs/dbraw/zinc/87/89/70/371878970.db2.gz PRRHLTZPOMVPEV-UHFFFAOYSA-N 1 2 238.088 2.217 10 0 BEAELO C[NH2+][C@H](c1csc(C)c1)c1cnsn1 ZINC000163500461 372002911 /nfs/dbraw/zinc/00/29/11/372002911.db2.gz HHISJSOSNQJSAP-SECBINFHSA-N 1 2 225.342 2.217 10 0 BEAELO CCc1cnc([C@@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306598174 372043194 /nfs/dbraw/zinc/04/31/94/372043194.db2.gz PGMJULBSJDXRBU-POYBYMJQSA-N 1 2 214.359 2.429 10 0 BEAELO CCc1cnc([C@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306598176 372043659 /nfs/dbraw/zinc/04/36/59/372043659.db2.gz PGMJULBSJDXRBU-XPUUQOCRSA-N 1 2 214.359 2.429 10 0 BEAELO C[C@H](Nc1nsnc1Cl)c1[nH]cc[nH+]1 ZINC000229339863 372144438 /nfs/dbraw/zinc/14/44/38/372144438.db2.gz CDLHCAHAWNVPOD-BYPYZUCNSA-N 1 2 229.696 2.088 10 0 BEAELO O=C(Cn1cc[nH+]c1)c1ccc(Cl)cc1O ZINC000029129757 182070838 /nfs/dbraw/zinc/07/08/38/182070838.db2.gz PSOMARMCJMDISA-UHFFFAOYSA-N 1 2 236.658 2.125 10 0 BEAELO OCCCNc1[nH]c2ccc(Cl)cc2[nH+]1 ZINC000015772888 183060142 /nfs/dbraw/zinc/06/01/42/183060142.db2.gz YCOIDNFXOZHQHG-UHFFFAOYSA-N 1 2 225.679 2.011 10 0 BEAELO OCCCNc1[nH]c2cc(Cl)ccc2[nH+]1 ZINC000015772888 183060144 /nfs/dbraw/zinc/06/01/44/183060144.db2.gz YCOIDNFXOZHQHG-UHFFFAOYSA-N 1 2 225.679 2.011 10 0 BEAELO OCCNc1ccc(OCc2ccccc2)c[nH+]1 ZINC000034147275 183080779 /nfs/dbraw/zinc/08/07/79/183080779.db2.gz HMHYSAGTQTVFRZ-UHFFFAOYSA-N 1 2 244.294 2.065 10 0 BEAELO OC[C@H]1CCCCC[C@@H]1Nc1cccc[nH+]1 ZINC000301794382 183146385 /nfs/dbraw/zinc/14/63/85/183146385.db2.gz 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KPSJSVIQUJFFQU-UHFFFAOYSA-N 1 2 248.248 2.353 10 0 BEAELO Oc1ccc2c(c1)OC[C@H]2[NH2+]Cc1ccco1 ZINC000022217161 183281601 /nfs/dbraw/zinc/28/16/01/183281601.db2.gz POZNZTWBQQVUIS-GFCCVEGCSA-N 1 2 231.251 2.209 10 0 BEAELO c1c[nH+]c(CN2CCO[C@H](c3ccsc3)C2)[nH]1 ZINC000126196218 183324377 /nfs/dbraw/zinc/32/43/77/183324377.db2.gz AZUSQNRPYOKSPN-NSHDSACASA-N 1 2 249.339 2.045 10 0 BEAELO c1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000158162793 183341344 /nfs/dbraw/zinc/34/13/44/183341344.db2.gz JLTKCROAIFOEIJ-LBPRGKRZSA-N 1 2 232.287 2.125 10 0 BEAELO c1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000158162793 183341346 /nfs/dbraw/zinc/34/13/46/183341346.db2.gz JLTKCROAIFOEIJ-LBPRGKRZSA-N 1 2 232.287 2.125 10 0 BEAELO CCC[NH2+][C@H](CCc1ccccc1)C(=O)OC ZINC000061625437 169289415 /nfs/dbraw/zinc/28/94/15/169289415.db2.gz BGEDKKZLNBYXSQ-CYBMUJFWSA-N 1 2 235.327 2.160 10 0 BEAELO CCC[NH2+][C@@H](c1cncc(F)c1)c1ncccn1 ZINC000049576453 169281218 /nfs/dbraw/zinc/28/12/18/169281218.db2.gz 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246.314 2.433 10 0 BEAELO Cc1cc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)no1 ZINC000114484276 384037478 /nfs/dbraw/zinc/03/74/78/384037478.db2.gz SRIIRYPYQPPWPS-ZDUSSCGKSA-N 1 2 246.314 2.433 10 0 BEAELO Cc1csc(C[N@H+](C)C[C@@H]2CCCO2)n1 ZINC000118407246 384198719 /nfs/dbraw/zinc/19/87/19/384198719.db2.gz MPDFQPZMXXBHPE-JTQLQIEISA-N 1 2 226.345 2.062 10 0 BEAELO Cc1csc(C[N@@H+](C)C[C@@H]2CCCO2)n1 ZINC000118407246 384198723 /nfs/dbraw/zinc/19/87/23/384198723.db2.gz MPDFQPZMXXBHPE-JTQLQIEISA-N 1 2 226.345 2.062 10 0 BEAELO CC[C@H]([NH2+][C@@H]1CCc2ccccc2C1)C(=O)OC ZINC000134974171 384403157 /nfs/dbraw/zinc/40/31/57/384403157.db2.gz BDRVDOLXPHAMQB-KGLIPLIRSA-N 1 2 247.338 2.085 10 0 BEAELO CCCc1c(Br)cc[nH+]c1N ZINC000095935564 384415077 /nfs/dbraw/zinc/41/50/77/384415077.db2.gz BMBPZGUEZMWDFB-UHFFFAOYSA-N 1 2 215.094 2.379 10 0 BEAELO COC(=O)[C@H]1CC[C@@H](c2ccccc2C)C[NH2+]1 ZINC000079026401 384480192 /nfs/dbraw/zinc/48/01/92/384480192.db2.gz DHMSYKCKJJPEIN-DGCLKSJQSA-N 1 2 233.311 2.004 10 0 BEAELO Nc1nc(-c2ccc(F)cc2)[nH+]c2c1CCC2 ZINC000050844570 384495548 /nfs/dbraw/zinc/49/55/48/384495548.db2.gz ZSVMALOEKXVUQA-UHFFFAOYSA-N 1 2 229.258 2.354 10 0 BEAELO CCc1cc(N)nc(-c2ccsc2)[nH+]1 ZINC000050846296 384496244 /nfs/dbraw/zinc/49/62/44/384496244.db2.gz SMQYOHKVYSHODL-UHFFFAOYSA-N 1 2 205.286 2.350 10 0 BEAELO Cc1nnc(C[N@H+](C)Cc2ccc(C)cc2)n1C ZINC000047540524 384571148 /nfs/dbraw/zinc/57/11/48/384571148.db2.gz DGGRCYOFHSHFRX-UHFFFAOYSA-N 1 2 244.342 2.064 10 0 BEAELO Cc1nnc(C[N@@H+](C)Cc2ccc(C)cc2)n1C ZINC000047540524 384571154 /nfs/dbraw/zinc/57/11/54/384571154.db2.gz DGGRCYOFHSHFRX-UHFFFAOYSA-N 1 2 244.342 2.064 10 0 BEAELO CCC1CCC(Nc2nc(C)[nH+]c(N)n2)CC1 ZINC000306106474 384572438 /nfs/dbraw/zinc/57/24/38/384572438.db2.gz RPNNDHNIBJANDH-UHFFFAOYSA-N 1 2 235.335 2.143 10 0 BEAELO CCC1CCC(Nc2nc(N)nc(C)[nH+]2)CC1 ZINC000306106474 384572444 /nfs/dbraw/zinc/57/24/44/384572444.db2.gz RPNNDHNIBJANDH-UHFFFAOYSA-N 1 2 235.335 2.143 10 0 BEAELO C/C=C\C[S@](=O)Cc1[nH+]ccn1C(C)C 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ZINC000377350334 385046222 /nfs/dbraw/zinc/04/62/22/385046222.db2.gz LDRIICYARBVPJN-HTQZYQBOSA-N 1 2 238.722 2.091 10 0 BEAELO Cn1cc(C2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000110413423 385234499 /nfs/dbraw/zinc/23/44/99/385234499.db2.gz JLUADLVGULGERX-UHFFFAOYSA-N 1 2 242.326 2.199 10 0 BEAELO O[C@]12CCCC[C@@H]1CN(c1cccc[nH+]1)CC2 ZINC000128349942 385254900 /nfs/dbraw/zinc/25/49/00/385254900.db2.gz GEZYFZZSJHDVBT-OCCSQVGLSA-N 1 2 232.327 2.213 10 0 BEAELO CC[C@H]1c2cccn2CCN1Cc1[nH]cc[nH+]1 ZINC000065403295 385306107 /nfs/dbraw/zinc/30/61/07/385306107.db2.gz HJSDORWIRXVNJD-NSHDSACASA-N 1 2 230.315 2.178 10 0 BEAELO CC(C)n1ccnc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000171686243 385507184 /nfs/dbraw/zinc/50/71/84/385507184.db2.gz BCFXQLBSCOZEEA-NSHDSACASA-N 1 2 239.388 2.401 10 0 BEAELO CC(C)n1ccnc1C[N@H+]1CCS[C@@H](C)C1 ZINC000171686243 385507187 /nfs/dbraw/zinc/50/71/87/385507187.db2.gz BCFXQLBSCOZEEA-NSHDSACASA-N 1 2 239.388 2.401 10 0 BEAELO CC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408197703 385608640 /nfs/dbraw/zinc/60/86/40/385608640.db2.gz JLZYPWPULJMKOW-VHSXEESVSA-N 1 2 238.335 2.083 10 0 BEAELO CC[C@H](C)C[N@H+]1CCCC[C@@H]1c1n[nH]c(=O)[nH]1 ZINC000408197703 385608645 /nfs/dbraw/zinc/60/86/45/385608645.db2.gz JLZYPWPULJMKOW-VHSXEESVSA-N 1 2 238.335 2.083 10 0 BEAELO Cc1nc([C@](C)([NH3+])C(F)F)sc1C ZINC000575590251 386323972 /nfs/dbraw/zinc/32/39/72/386323972.db2.gz OPNOCCWIYNASMS-MRVPVSSYSA-N 1 2 206.261 2.199 10 0 BEAELO C[C@H](CC(=O)NCCc1[nH]cc[nH+]1)C(C)(C)C ZINC000135489573 386515591 /nfs/dbraw/zinc/51/55/91/386515591.db2.gz QEPGZTISPGBCRE-SNVBAGLBSA-N 1 2 237.347 2.141 10 0 BEAELO Cc1n[nH]c(C)c1CNc1cc[nH+]c(C2CC2)n1 ZINC000301260124 386654674 /nfs/dbraw/zinc/65/46/74/386654674.db2.gz UUCCQEHMIMZXCJ-UHFFFAOYSA-N 1 2 243.314 2.306 10 0 BEAELO CCO[C@H](C)c1noc(C[N@@H+]2CC[C@@H]2CC)n1 ZINC000330286518 386846738 /nfs/dbraw/zinc/84/67/38/386846738.db2.gz ZXYOBJNHQZBKEK-ZJUUUORDSA-N 1 2 239.319 2.151 10 0 BEAELO CCO[C@H](C)c1noc(C[N@H+]2CC[C@@H]2CC)n1 ZINC000330286518 386846739 /nfs/dbraw/zinc/84/67/39/386846739.db2.gz ZXYOBJNHQZBKEK-ZJUUUORDSA-N 1 2 239.319 2.151 10 0 BEAELO Cc1nocc1C[NH2+][C@H]1COc2ccccc21 ZINC000293673498 386858098 /nfs/dbraw/zinc/85/80/98/386858098.db2.gz UYHNFUVFRNUPTB-LBPRGKRZSA-N 1 2 230.267 2.206 10 0 BEAELO c1coc([C@H]2CCC[N@H+]2Cc2ncc[nH]2)c1 ZINC000116293376 386933269 /nfs/dbraw/zinc/93/32/69/386933269.db2.gz KPQUZEOANFTKRJ-SNVBAGLBSA-N 1 2 217.272 2.340 10 0 BEAELO c1coc([C@H]2CCC[N@@H+]2Cc2ncc[nH]2)c1 ZINC000116293376 386933271 /nfs/dbraw/zinc/93/32/71/386933271.db2.gz KPQUZEOANFTKRJ-SNVBAGLBSA-N 1 2 217.272 2.340 10 0 BEAELO CCCCC[C@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368486174 386978189 /nfs/dbraw/zinc/97/81/89/386978189.db2.gz MCIGLPQTWLTCQC-VHSXEESVSA-N 1 2 248.317 2.069 10 0 BEAELO CCCCC[C@@H](C)NC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000368486175 386979112 /nfs/dbraw/zinc/97/91/12/386979112.db2.gz MCIGLPQTWLTCQC-ZJUUUORDSA-N 1 2 248.317 2.069 10 0 BEAELO c1cnn(CCCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110128817 387059847 /nfs/dbraw/zinc/05/98/47/387059847.db2.gz ASFPAZAJMGESCL-UHFFFAOYSA-N 1 2 243.314 2.053 10 0 BEAELO Cc1nnc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)[nH]1 ZINC000392423359 387078466 /nfs/dbraw/zinc/07/84/66/387078466.db2.gz SMTYFGXPQGALAR-BDAKNGLRSA-N 1 2 234.303 2.426 10 0 BEAELO CC[C@H](NC(=O)[C@H]1CCC[C@H]1C)c1[nH]cc[nH+]1 ZINC000300242175 387183488 /nfs/dbraw/zinc/18/34/88/387183488.db2.gz XTOYHJORAIQYCZ-VWYCJHECSA-N 1 2 235.331 2.413 10 0 BEAELO CCn1cc[nH+]c1CSCCCOC ZINC000187851967 387215155 /nfs/dbraw/zinc/21/51/55/387215155.db2.gz NLEITNPRPDUSHJ-UHFFFAOYSA-N 1 2 214.334 2.173 10 0 BEAELO CSCCC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121679620 387392561 /nfs/dbraw/zinc/39/25/61/387392561.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000121679620 387392564 /nfs/dbraw/zinc/39/25/64/387392564.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121679620 387392569 /nfs/dbraw/zinc/39/25/69/387392569.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 1 2 240.376 2.085 10 0 BEAELO CSCCC[N@H+]1CCCC[C@H]1c1nc[nH]n1 ZINC000121679620 387392571 /nfs/dbraw/zinc/39/25/71/387392571.db2.gz NVAWYXSFYVVNTB-JTQLQIEISA-N 1 2 240.376 2.085 10 0 BEAELO Cc1cc(C)c2[nH+]ccc(OCCO)c2c1 ZINC000053994785 387976599 /nfs/dbraw/zinc/97/65/99/387976599.db2.gz FPEFETPAKXIGBJ-UHFFFAOYSA-N 1 2 217.268 2.223 10 0 BEAELO Cc1ccc2[nH+]c(C)cc(OCCO)c2c1 ZINC000053994802 387977119 /nfs/dbraw/zinc/97/71/19/387977119.db2.gz QGTVCATTXPTXKJ-UHFFFAOYSA-N 1 2 217.268 2.223 10 0 BEAELO Cc1csc([C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000134061172 388474135 /nfs/dbraw/zinc/47/41/35/388474135.db2.gz CPEYUULDKLGATO-SNVBAGLBSA-N 1 2 226.345 2.233 10 0 BEAELO Cc1csc([C@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000134061172 388474137 /nfs/dbraw/zinc/47/41/37/388474137.db2.gz CPEYUULDKLGATO-SNVBAGLBSA-N 1 2 226.345 2.233 10 0 BEAELO CCn1cc[nH+]c1CSC[C@H]1CCCO1 ZINC000175283177 388428989 /nfs/dbraw/zinc/42/89/89/388428989.db2.gz KMCJOBBUXHMAQS-SNVBAGLBSA-N 1 2 226.345 2.315 10 0 BEAELO C[NH+](C)c1ccc(NCC(F)F)cc1 ZINC000037755926 388630576 /nfs/dbraw/zinc/63/05/76/388630576.db2.gz BMKBJVLDENWGNB-UHFFFAOYSA-N 1 2 200.232 2.430 10 0 BEAELO C[C@H]([NH2+]Cc1cscn1)c1cncs1 ZINC000127320211 388720104 /nfs/dbraw/zinc/72/01/04/388720104.db2.gz ILZDIWCRXYBELA-ZETCQYMHSA-N 1 2 225.342 2.450 10 0 BEAELO Nc1ccc(NC(=O)OCc2ccccc2)c[nH+]1 ZINC000575466784 388839102 /nfs/dbraw/zinc/83/91/02/388839102.db2.gz VJSHCARVHAQGBU-UHFFFAOYSA-N 1 2 243.266 2.243 10 0 BEAELO Clc1cnccc1[C@@H]1[NH2+]CCCS1 ZINC000575472106 388850210 /nfs/dbraw/zinc/85/02/10/388850210.db2.gz RUEZKZNLOWINCC-SECBINFHSA-N 1 2 214.721 2.460 10 0 BEAELO Nc1cccc2c1CCC[N@@H+]2CC1CCOCC1 ZINC000052174657 132229099 /nfs/dbraw/zinc/22/90/99/132229099.db2.gz MZBUUJGGIHBADF-UHFFFAOYSA-N 1 2 246.354 2.448 10 0 BEAELO Nc1cccc2c1CCC[N@H+]2CC1CCOCC1 ZINC000052174657 132229100 /nfs/dbraw/zinc/22/91/00/132229100.db2.gz MZBUUJGGIHBADF-UHFFFAOYSA-N 1 2 246.354 2.448 10 0 BEAELO C[C@H]1SCCN(c2cccc[nH+]2)[C@@H]1C ZINC000301258813 132252049 /nfs/dbraw/zinc/25/20/49/132252049.db2.gz CHHIGDPWTDIUNR-NXEZZACHSA-N 1 2 208.330 2.412 10 0 BEAELO C[C@H]1SCCN(c2cccc[nH+]2)[C@H]1C ZINC000301258816 132252321 /nfs/dbraw/zinc/25/23/21/132252321.db2.gz CHHIGDPWTDIUNR-VHSXEESVSA-N 1 2 208.330 2.412 10 0 BEAELO Nc1ccc2[nH+]c(N3CCSCC3)ccc2c1 ZINC000035343225 132338250 /nfs/dbraw/zinc/33/82/50/132338250.db2.gz ZOQNIZOXHHXZFW-UHFFFAOYSA-N 1 2 245.351 2.370 10 0 BEAELO Cc1cc([NH3+])ccc1N1C[C@@H](C)OC[C@@H]1C ZINC000035783749 132339770 /nfs/dbraw/zinc/33/97/70/132339770.db2.gz YAZNNCQRIDUXCC-WDEREUQCSA-N 1 2 220.316 2.191 10 0 BEAELO C[C@H]1CC(=O)CCN1c1ccc([NH+](C)C)cc1 ZINC000049711478 132357678 /nfs/dbraw/zinc/35/76/78/132357678.db2.gz HBJWVNVJQXGNBC-NSHDSACASA-N 1 2 232.327 2.310 10 0 BEAELO Cc1nccnc1[C@@H](C)[NH2+]Cc1cscn1 ZINC000219123554 134274446 /nfs/dbraw/zinc/27/44/46/134274446.db2.gz QUPUXTLBOIZLCM-SECBINFHSA-N 1 2 234.328 2.092 10 0 BEAELO Cc1cnc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000173541034 134275308 /nfs/dbraw/zinc/27/53/08/134275308.db2.gz MDNAHDUAFCQXLK-RYUDHWBXSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1cnc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)o1 ZINC000173541034 134275309 /nfs/dbraw/zinc/27/53/09/134275309.db2.gz MDNAHDUAFCQXLK-RYUDHWBXSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1ccoc1 ZINC000181257060 134334502 /nfs/dbraw/zinc/33/45/02/134334502.db2.gz NWJNSSWQGWGYKT-JOYOIKCWSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1ccoc1 ZINC000181257087 134334581 /nfs/dbraw/zinc/33/45/81/134334581.db2.gz NWJNSSWQGWGYKT-BXKDBHETSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1cnc(C[NH2+][C@H](C)c2cncc(F)c2)o1 ZINC000228578913 134415081 /nfs/dbraw/zinc/41/50/81/134415081.db2.gz JWBRLZZRSPAXEU-SECBINFHSA-N 1 2 235.262 2.368 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2ccncc2)o1 ZINC000230641963 135021060 /nfs/dbraw/zinc/02/10/60/135021060.db2.gz VRAILVOEZCXPPY-SNVBAGLBSA-N 1 2 217.272 2.229 10 0 BEAELO c1csc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000269679933 135166654 /nfs/dbraw/zinc/16/66/54/135166654.db2.gz TXDRZVSTRHMXGQ-GHMZBOCLSA-N 1 2 238.356 2.287 10 0 BEAELO c1csc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)n1 ZINC000269679933 135166656 /nfs/dbraw/zinc/16/66/56/135166656.db2.gz TXDRZVSTRHMXGQ-GHMZBOCLSA-N 1 2 238.356 2.287 10 0 BEAELO C[C@@H](CC1CC1)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000081724062 135388387 /nfs/dbraw/zinc/38/83/87/135388387.db2.gz SGHLAPXHVKKPFL-JQWIXIFHSA-N 1 2 247.342 2.065 10 0 BEAELO O=C(Nc1ccsc1)[C@H]1CCCn2cc[nH+]c21 ZINC000081757261 135389929 /nfs/dbraw/zinc/38/99/29/135389929.db2.gz WMIKBISQYQBGQA-JTQLQIEISA-N 1 2 247.323 2.461 10 0 BEAELO Cc1cscc1C(=O)Nc1ccc(N)[nH+]c1 ZINC000086816260 135496916 /nfs/dbraw/zinc/49/69/16/135496916.db2.gz GDNYINWFNMHBON-UHFFFAOYSA-N 1 2 233.296 2.286 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cc(C)n(C)n2)o1 ZINC000348217225 136046754 /nfs/dbraw/zinc/04/67/54/136046754.db2.gz FUDIRLPCBRRQIZ-LLVKDONJSA-N 1 2 233.315 2.481 10 0 BEAELO O=C1CN(Cc2ccccc2)c2c[nH+]ccc2N1 ZINC000575461954 397942955 /nfs/dbraw/zinc/94/29/55/397942955.db2.gz KLBDXQWBAAYKTP-UHFFFAOYSA-N 1 2 239.278 2.040 10 0 BEAELO CC(C)Oc1ccc([NH2+]CCCO)cc1 ZINC000043444143 167296709 /nfs/dbraw/zinc/29/67/09/167296709.db2.gz MWFZRDISYKYKEB-UHFFFAOYSA-N 1 2 209.289 2.268 10 0 BEAELO CC1(C)[C@H](Nc2cccc[nH+]2)[C@H]2CCO[C@H]21 ZINC000301382568 168005945 /nfs/dbraw/zinc/00/59/45/168005945.db2.gz ZISIKFNTFAFALA-YUSALJHKSA-N 1 2 218.300 2.307 10 0 BEAELO Cc1cc(C(C)C)nc(NCCn2cc[nH+]c2)n1 ZINC000122396041 411431555 /nfs/dbraw/zinc/43/15/55/411431555.db2.gz XLVNCJJDDKHNBA-UHFFFAOYSA-N 1 2 245.330 2.217 10 0 BEAELO Cc1c[nH]c(C[NH2+][C@@H]2CCOc3ccccc32)n1 ZINC000657290427 411452247 /nfs/dbraw/zinc/45/22/47/411452247.db2.gz PTIFOBUWTBJAKH-GFCCVEGCSA-N 1 2 243.310 2.332 10 0 BEAELO CC[NH2+][C@@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869582 170137970 /nfs/dbraw/zinc/13/79/70/170137970.db2.gz DTKQPDRLLBTUAY-SECBINFHSA-N 1 2 247.125 2.129 10 0 BEAELO CC[NH2+][C@H](c1ccc(F)cc1F)c1ncccn1 ZINC000055238940 170149114 /nfs/dbraw/zinc/14/91/14/170149114.db2.gz RUTAQJIQMWVZLP-GFCCVEGCSA-N 1 2 249.264 2.454 10 0 BEAELO CC[NH2+][C@H](C(N)=O)c1c(Cl)cccc1Cl ZINC000037869581 170156280 /nfs/dbraw/zinc/15/62/80/170156280.db2.gz DTKQPDRLLBTUAY-VIFPVBQESA-N 1 2 247.125 2.129 10 0 BEAELO CC[NH2+][C@H](c1ccc(C)o1)c1nccn1C ZINC000041048674 170163485 /nfs/dbraw/zinc/16/34/85/170163485.db2.gz NGWBHQOTJAKTTA-LLVKDONJSA-N 1 2 219.288 2.020 10 0 BEAELO CCNc1cc(-c2c[nH]c(C)[nH+]2)ccn1 ZINC000029389363 170171372 /nfs/dbraw/zinc/17/13/72/170171372.db2.gz XVQPGYLBPRBJOS-UHFFFAOYSA-N 1 2 202.261 2.212 10 0 BEAELO CCNc1cc(C)[nH+]c(-c2cccnc2)n1 ZINC000048400140 170172420 /nfs/dbraw/zinc/17/24/20/170172420.db2.gz WQONESAPTYFGMS-UHFFFAOYSA-N 1 2 214.272 2.279 10 0 BEAELO CCNc1snnc1C[NH+]1CCC(C)CC1 ZINC000050792142 170179196 /nfs/dbraw/zinc/17/91/96/170179196.db2.gz MLYWQBYZNWNQSD-UHFFFAOYSA-N 1 2 240.376 2.202 10 0 BEAELO CCOC(=[NH2+])[C@H](O)c1cc(C)ccc1C ZINC000039135025 170180224 /nfs/dbraw/zinc/18/02/24/170180224.db2.gz DKIDUDOQODXIEF-LLVKDONJSA-N 1 2 207.273 2.351 10 0 BEAELO CCOC(=O)CCn1c(C)[nH+]c2ccccc21 ZINC000036667731 170212074 /nfs/dbraw/zinc/21/20/74/170212074.db2.gz UQAZEVCAVNCIPD-UHFFFAOYSA-N 1 2 232.283 2.298 10 0 BEAELO CCOC(=O)C[NH2+][C@@H](C)CCc1ccccc1 ZINC000037394066 170226627 /nfs/dbraw/zinc/22/66/27/170226627.db2.gz BGZFPZOLJIAMEE-LBPRGKRZSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000037459960 170254724 /nfs/dbraw/zinc/25/47/24/170254724.db2.gz IMBIVPQNOXBHQN-LBPRGKRZSA-N 1 2 221.300 2.373 10 0 BEAELO CCOC(=O)[C@@](C)([NH3+])c1ccccc1Cl ZINC000037459880 170261390 /nfs/dbraw/zinc/26/13/90/170261390.db2.gz SJAILYOFADVCAK-NSHDSACASA-N 1 2 227.691 2.077 10 0 BEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(Cl)cc1 ZINC000033733057 170261823 /nfs/dbraw/zinc/26/18/23/170261823.db2.gz DZIFPXVMWNXTRN-NSHDSACASA-N 1 2 227.691 2.077 10 0 BEAELO CCS[C@@H]1CC[C@]1(O)CNc1cccc[nH+]1 ZINC000301495520 170649706 /nfs/dbraw/zinc/64/97/06/170649706.db2.gz SRFCDNNRAYOGCQ-PWSUYJOCSA-N 1 2 238.356 2.140 10 0 BEAELO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2N)CCO1 ZINC000036768908 171089473 /nfs/dbraw/zinc/08/94/73/171089473.db2.gz VXMXCIUZRPVUST-GFCCVEGCSA-N 1 2 238.306 2.019 10 0 BEAELO CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2N)CCO1 ZINC000036768908 171089474 /nfs/dbraw/zinc/08/94/74/171089474.db2.gz VXMXCIUZRPVUST-GFCCVEGCSA-N 1 2 238.306 2.019 10 0 BEAELO CC[C@@H]1[NH2+]CC(=O)c2c3ccccc3[nH]c21 ZINC000073258228 171146568 /nfs/dbraw/zinc/14/65/68/171146568.db2.gz LERUSZXJBLIYRJ-VIFPVBQESA-N 1 2 214.268 2.405 10 0 BEAELO CCc1ccccc1[C@H]([NH2+]C(C)C)C(=O)OC ZINC000052204279 171893030 /nfs/dbraw/zinc/89/30/30/171893030.db2.gz SVLGPWLTYFRYET-ZDUSSCGKSA-N 1 2 235.327 2.461 10 0 BEAELO CCc1nc([C@H]([NH3+])c2cccc(Cl)c2)no1 ZINC000036762593 172006758 /nfs/dbraw/zinc/00/67/58/172006758.db2.gz QJIDGRSDXZDWEC-SNVBAGLBSA-N 1 2 237.690 2.334 10 0 BEAELO CCc1[nH+]c2ccccc2n1[C@H](C)C(=O)OC ZINC000006024750 172013936 /nfs/dbraw/zinc/01/39/36/172013936.db2.gz OEFNMGDHCQNSJS-SECBINFHSA-N 1 2 232.283 2.333 10 0 BEAELO CCc1nc2n(n1)CCC[C@@H]2[NH2+]Cc1ccco1 ZINC000088757765 172014183 /nfs/dbraw/zinc/01/41/83/172014183.db2.gz USDHSUSKYBZFMR-NSHDSACASA-N 1 2 246.314 2.058 10 0 BEAELO CCn1c(C)cc(C(=O)Cn2cc[nH+]c2)c1C ZINC000035052311 172134744 /nfs/dbraw/zinc/13/47/44/172134744.db2.gz LIDTZQRUKYPQLU-UHFFFAOYSA-N 1 2 231.299 2.204 10 0 BEAELO CCn1ccnc1[C@@H]([NH2+]C)c1occc1C ZINC000041048692 172230054 /nfs/dbraw/zinc/23/00/54/172230054.db2.gz JOTSZONPGUBUNB-JTQLQIEISA-N 1 2 219.288 2.113 10 0 BEAELO CN(C)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000057492675 172561557 /nfs/dbraw/zinc/56/15/57/172561557.db2.gz GQGDXRDBRIHAJO-LBPRGKRZSA-N 1 2 204.317 2.220 10 0 BEAELO C[N@@H+]1Cc2cccc(NC(=O)c3ccco3)c2C1 ZINC000169812634 173202592 /nfs/dbraw/zinc/20/25/92/173202592.db2.gz NEKITTUQVGQPNU-UHFFFAOYSA-N 1 2 242.278 2.477 10 0 BEAELO C[N@H+]1Cc2cccc(NC(=O)c3ccco3)c2C1 ZINC000169812634 173202594 /nfs/dbraw/zinc/20/25/94/173202594.db2.gz NEKITTUQVGQPNU-UHFFFAOYSA-N 1 2 242.278 2.477 10 0 BEAELO C[NH2+]C(C)(C)C(=O)O[C@H]1CCC[C@@H](C)C1 ZINC000061172121 173319279 /nfs/dbraw/zinc/31/92/79/173319279.db2.gz WMWFMPFAMFQQKO-ZJUUUORDSA-N 1 2 213.321 2.106 10 0 BEAELO C[NH2+]Cc1noc([C@H]2Cc3ccccc3S2)n1 ZINC000092234110 173399972 /nfs/dbraw/zinc/39/99/72/173399972.db2.gz BIRGDKUKYRONAB-SNVBAGLBSA-N 1 2 247.323 2.179 10 0 BEAELO COC(=O)[C@@](C)([NH3+])c1ccc2ccccc2c1 ZINC000037514710 173754743 /nfs/dbraw/zinc/75/47/43/173754743.db2.gz OOQLTVKRXUFFFU-AWEZNQCLSA-N 1 2 229.279 2.187 10 0 BEAELO COC(=O)[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000034743181 173799686 /nfs/dbraw/zinc/79/96/86/173799686.db2.gz AUTFVNPUUPHELI-LLVKDONJSA-N 1 2 221.300 2.157 10 0 BEAELO COc1cc2c(c(OC)c1OC)[NH2+]CCC2 ZINC000057952674 175020706 /nfs/dbraw/zinc/02/07/06/175020706.db2.gz JWXKUFXXEUIGLF-UHFFFAOYSA-N 1 2 223.272 2.071 10 0 BEAELO COc1ccc(-c2c[nH]c[nH+]2)cc1OC ZINC000041212565 175037015 /nfs/dbraw/zinc/03/70/15/175037015.db2.gz XLIYXBFIOTYVDY-UHFFFAOYSA-N 1 2 204.229 2.094 10 0 BEAELO COc1ccc(COCc2ccc(N)[nH+]c2)cc1 ZINC000050832630 175114049 /nfs/dbraw/zinc/11/40/49/175114049.db2.gz CPGXEAPFPSFUHT-UHFFFAOYSA-N 1 2 244.294 2.389 10 0 BEAELO COc1ccc(N2Cc3ccccc3C2=[NH2+])cn1 ZINC000020078811 175140209 /nfs/dbraw/zinc/14/02/09/175140209.db2.gz DAYZBDYCQDMZBK-UHFFFAOYSA-N 1 2 239.278 2.436 10 0 BEAELO COc1ccc([NH2+]CCC(=O)NC(C)C)cc1 ZINC000048132601 175150746 /nfs/dbraw/zinc/15/07/46/175150746.db2.gz GUTQLSXMHIRAKS-UHFFFAOYSA-N 1 2 236.315 2.022 10 0 BEAELO COc1ccc([NH2+]C[C@@H]2CCOC2)cc1C ZINC000049528358 175151722 /nfs/dbraw/zinc/15/17/22/175151722.db2.gz FBHUULDESRGZRQ-NSHDSACASA-N 1 2 221.300 2.452 10 0 BEAELO COc1ccc([NH2+][C@@H](C)CCCO)cc1 ZINC000058826878 175153229 /nfs/dbraw/zinc/15/32/29/175153229.db2.gz RRASNKGCZNQMFK-JTQLQIEISA-N 1 2 209.289 2.268 10 0 BEAELO COc1ccccc1OCc1ccc[nH+]c1N ZINC000052754548 175341979 /nfs/dbraw/zinc/34/19/79/175341979.db2.gz VHRXBJFLPFPBQU-UHFFFAOYSA-N 1 2 230.267 2.251 10 0 BEAELO COc1cc[nH+]cc1NC(=O)CCCSC ZINC000119659204 175374306 /nfs/dbraw/zinc/37/43/06/175374306.db2.gz PFWYFRZDFFBGRF-UHFFFAOYSA-N 1 2 240.328 2.172 10 0 BEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1cccc(F)c1 ZINC000077370249 176346890 /nfs/dbraw/zinc/34/68/90/176346890.db2.gz RZCYPPDCEHXEMR-GHMZBOCLSA-N 1 2 223.291 2.435 10 0 BEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1ccccc1F ZINC000120788076 176347015 /nfs/dbraw/zinc/34/70/15/176347015.db2.gz CWYXYNPXYBMQKA-GHMZBOCLSA-N 1 2 223.291 2.435 10 0 BEAELO C[C@@H]1C[C@@H](C)C[NH+]([C@@H](C[NH3+])c2ccccn2)C1 ZINC000019274121 176361551 /nfs/dbraw/zinc/36/15/51/176361551.db2.gz ZUZBGWZLYDNQII-BZPMIXESSA-N 1 2 233.359 2.059 10 0 BEAELO C[C@H](O)c1cccc(OCCn2cc[nH+]c2)c1 ZINC000035627709 177017479 /nfs/dbraw/zinc/01/74/79/177017479.db2.gz PJGARDBHIRVVOC-NSHDSACASA-N 1 2 232.283 2.015 10 0 BEAELO C[C@H](c1cccs1)[NH+]1CCC(=O)CC1 ZINC000019728806 177048489 /nfs/dbraw/zinc/04/84/89/177048489.db2.gz AIUMAFSYHOIYID-SECBINFHSA-N 1 2 209.314 2.474 10 0 BEAELO C[C@H]1C[N@H+](Cc2c(Cl)cnn2C)CCS1 ZINC000187170252 177261250 /nfs/dbraw/zinc/26/12/50/177261250.db2.gz PLZKJQUBKRLBHX-QMMMGPOBSA-N 1 2 245.779 2.011 10 0 BEAELO C[C@H]1C[N@@H+](Cc2c(Cl)cnn2C)CCS1 ZINC000187170252 177261251 /nfs/dbraw/zinc/26/12/51/177261251.db2.gz PLZKJQUBKRLBHX-QMMMGPOBSA-N 1 2 245.779 2.011 10 0 BEAELO C[C@H]1CN2CCCC[C@@H]2C[N@@H+]1Cc1ccco1 ZINC000094432867 177279770 /nfs/dbraw/zinc/27/97/70/177279770.db2.gz HAINTICPDIWHCU-QWHCGFSZSA-N 1 2 234.343 2.338 10 0 BEAELO C[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccco1 ZINC000094432867 177279772 /nfs/dbraw/zinc/27/97/72/177279772.db2.gz HAINTICPDIWHCU-QWHCGFSZSA-N 1 2 234.343 2.338 10 0 BEAELO C[C@H]1COC[C@H](C)[NH+]1CCC(=O)c1ccccc1 ZINC000182341380 177299581 /nfs/dbraw/zinc/29/95/81/177299581.db2.gz BXJSYKGJNPNVJM-STQMWFEESA-N 1 2 247.338 2.369 10 0 BEAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2cccnc2)C1 ZINC000019261412 177314472 /nfs/dbraw/zinc/31/44/72/177314472.db2.gz JPQSIQUAQMFLSO-SCRDCRAPSA-N 1 2 233.359 2.059 10 0 BEAELO COC[C@H](C)CNc1ccc(N2CCCC2)[nH+]c1 ZINC000131760951 325182134 /nfs/dbraw/zinc/18/21/34/325182134.db2.gz WXWQKJAWTNPBAK-GFCCVEGCSA-N 1 2 249.358 2.376 10 0 BEAELO Cc1ccoc1C[NH2+]Cc1nnc(C)s1 ZINC000134663280 325370630 /nfs/dbraw/zinc/37/06/30/325370630.db2.gz HNJKEFZEXHJTRP-UHFFFAOYSA-N 1 2 223.301 2.038 10 0 BEAELO CSCCCC(=O)Nc1cc[nH+]c(C)c1 ZINC000134918123 325382909 /nfs/dbraw/zinc/38/29/09/325382909.db2.gz QXLSTOGVDHPSPJ-UHFFFAOYSA-N 1 2 224.329 2.472 10 0 BEAELO Cc1occc1C[N@@H+](C)Cc1cncnc1 ZINC000119122849 487530377 /nfs/dbraw/zinc/53/03/77/487530377.db2.gz SLEIPEFVNSRAQH-UHFFFAOYSA-N 1 2 217.272 2.010 10 0 BEAELO Cc1occc1C[N@H+](C)Cc1cncnc1 ZINC000119122849 487530382 /nfs/dbraw/zinc/53/03/82/487530382.db2.gz SLEIPEFVNSRAQH-UHFFFAOYSA-N 1 2 217.272 2.010 10 0 BEAELO COc1ccccc1O[C@]1(C)[NH2+]CCS1 ZINC000198858528 490244966 /nfs/dbraw/zinc/24/49/66/490244966.db2.gz SZIWPSBEKTUDIZ-NSHDSACASA-N 1 2 225.313 2.084 10 0 BEAELO c1c[nH+]c(CNCc2ccn(C3CCCC3)n2)[nH]1 ZINC000128999706 490596054 /nfs/dbraw/zinc/59/60/54/490596054.db2.gz HQDUVWLMWXPMOD-UHFFFAOYSA-N 1 2 245.330 2.011 10 0 BEAELO COC[C@H](C)[NH2+]c1ccc2c(c1)CCN2C ZINC000757126805 582501692 /nfs/dbraw/zinc/50/16/92/582501692.db2.gz HDYFEEMAIBZOKI-JTQLQIEISA-N 1 2 220.316 2.126 10 0 BEAELO C[C@H]1CCC[C@]2(C1)[NH2+]CC(F)(F)CO2 ZINC000757150319 582535085 /nfs/dbraw/zinc/53/50/85/582535085.db2.gz PKYKJBHZHGJQHR-WPRPVWTQSA-N 1 2 205.248 2.148 10 0 BEAELO CC(C)(C)OC(=O)N1CCNc2[nH+]cccc21 ZINC000299890433 534840227 /nfs/dbraw/zinc/84/02/27/534840227.db2.gz ZPDFFKCVZJJBLT-UHFFFAOYSA-N 1 2 235.287 2.249 10 0 BEAELO CC(=O)C1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000111690844 588767325 /nfs/dbraw/zinc/76/73/25/588767325.db2.gz JQJWTTDGTYZRCL-UHFFFAOYSA-N 1 2 236.315 2.092 10 0 BEAELO C[N@@H+]1CCc2cc(NCc3ccon3)ccc21 ZINC000757129973 582504605 /nfs/dbraw/zinc/50/46/05/582504605.db2.gz NERUSPMWSRQAMH-UHFFFAOYSA-N 1 2 229.283 2.279 10 0 BEAELO C[N@H+]1CCc2cc(NCc3ccon3)ccc21 ZINC000757129973 582504606 /nfs/dbraw/zinc/50/46/06/582504606.db2.gz NERUSPMWSRQAMH-UHFFFAOYSA-N 1 2 229.283 2.279 10 0 BEAELO CCC[C@H](C)c1nc2[nH]ccc2c(N)[nH+]1 ZINC000757569681 586376676 /nfs/dbraw/zinc/37/66/76/586376676.db2.gz UVZJMFVHQSWFDC-ZETCQYMHSA-N 1 2 204.277 2.395 10 0 BEAELO Cc1cc(Cn2c[nH+]c(N)c2)ccc1Cl ZINC000757161643 586432365 /nfs/dbraw/zinc/43/23/65/586432365.db2.gz XCHXTFYKXKOMJD-UHFFFAOYSA-N 1 2 221.691 2.475 10 0 BEAELO Cc1[nH]c(-c2cc(N)ccc2F)[nH+]c1C ZINC000757175342 586433143 /nfs/dbraw/zinc/43/31/43/586433143.db2.gz NAIROUZATLXFND-UHFFFAOYSA-N 1 2 205.236 2.415 10 0 BEAELO CCCCc1nc2[nH]ccc2c(N(C)C)[nH+]1 ZINC000757565841 586461786 /nfs/dbraw/zinc/46/17/86/586461786.db2.gz IIMZWLORTNJGGJ-UHFFFAOYSA-N 1 2 218.304 2.367 10 0 BEAELO CC[C@@H](C)c1nc2[nH]ccc2c(NC)[nH+]1 ZINC000757570315 586462341 /nfs/dbraw/zinc/46/23/41/586462341.db2.gz WQDLYXRXOJYEDR-SSDOTTSWSA-N 1 2 204.277 2.465 10 0 BEAELO Cn1cc[nH+]c1CNc1ccc(Cl)nc1 ZINC000122816263 589634580 /nfs/dbraw/zinc/63/45/80/589634580.db2.gz FTVQPYIZJQVRGF-UHFFFAOYSA-N 1 2 222.679 2.081 10 0 BEAELO CC[C@@H](C)OC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000124547270 590049323 /nfs/dbraw/zinc/04/93/23/590049323.db2.gz LOAMFHMDBBNEQT-SNVBAGLBSA-N 1 2 245.282 2.223 10 0 BEAELO CCCCN(C)c1ccc([C@@H](C)O)c[nH+]1 ZINC000124897710 590098302 /nfs/dbraw/zinc/09/83/02/590098302.db2.gz KYKKBSWUMHMXIV-SNVBAGLBSA-N 1 2 208.305 2.371 10 0 BEAELO C[C@H](O)c1ccc(N2C[C@H](C)[C@H](C)C2)[nH+]c1 ZINC000124946228 590102800 /nfs/dbraw/zinc/10/28/00/590102800.db2.gz PVXBIHAUUMMMFM-AXFHLTTASA-N 1 2 220.316 2.227 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC(C)(C)C2)[nH+]c1 ZINC000124947557 590102828 /nfs/dbraw/zinc/10/28/28/590102828.db2.gz OMQXIHDEVOFWPK-SNVBAGLBSA-N 1 2 220.316 2.371 10 0 BEAELO CC(C)[C@H](C)OC(=O)Cc1cn2ccccc2[nH+]1 ZINC000127317672 590618292 /nfs/dbraw/zinc/61/82/92/590618292.db2.gz GGOZUTXDVQARDH-NSHDSACASA-N 1 2 246.310 2.465 10 0 BEAELO C[C@@H](O)c1ccc(N(C)Cc2ccoc2)[nH+]c1 ZINC000213243033 591457446 /nfs/dbraw/zinc/45/74/46/591457446.db2.gz HDOMCCBGIILPPO-SNVBAGLBSA-N 1 2 232.283 2.364 10 0 BEAELO Cc1nnc(C[NH2+]Cc2cccc(F)c2)s1 ZINC000134664534 591946487 /nfs/dbraw/zinc/94/64/87/591946487.db2.gz QBLOULFSLXWJAY-UHFFFAOYSA-N 1 2 237.303 2.275 10 0 BEAELO C[C@@H]1C[NH+](Cc2ccc(O)c(F)c2)C[C@@H](C)O1 ZINC000232449581 641272945 /nfs/dbraw/zinc/27/29/45/641272945.db2.gz VYNNIALZARUOMR-NXEZZACHSA-N 1 2 239.290 2.141 10 0 BEAELO CCn1ccnc1C[NH2+][C@H]1COc2ccccc21 ZINC000070528343 643034435 /nfs/dbraw/zinc/03/44/35/643034435.db2.gz BXLIOJDWEATTCV-LBPRGKRZSA-N 1 2 243.310 2.126 10 0 BEAELO C[C@@H]1C[C@@H](O)C[N@H+](C/C(Cl)=C/Cl)C1 ZINC000306950279 643299125 /nfs/dbraw/zinc/29/91/25/643299125.db2.gz YJPAFWVNEZKAKQ-RVSWPMMESA-N 1 2 224.131 2.008 10 0 BEAELO C[C@@H]1C[C@@H](O)C[N@@H+](C/C(Cl)=C/Cl)C1 ZINC000306950279 643299133 /nfs/dbraw/zinc/29/91/33/643299133.db2.gz YJPAFWVNEZKAKQ-RVSWPMMESA-N 1 2 224.131 2.008 10 0 BEAELO CCc1[nH+]ccn1-c1ncccc1C(C)=O ZINC000234157672 643544039 /nfs/dbraw/zinc/54/40/39/643544039.db2.gz SMRIKAJOMULRKC-UHFFFAOYSA-N 1 2 215.256 2.032 10 0 BEAELO Cc1cc(NC(=O)/C=C/c2ccccn2)cc[nH+]1 ZINC000089591466 644557867 /nfs/dbraw/zinc/55/78/67/644557867.db2.gz YLRCKRIMVYILPR-AATRIKPKSA-N 1 2 239.278 2.437 10 0 BEAELO C[C@H]1CC[C@@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307210110 711774028 /nfs/dbraw/zinc/77/40/28/711774028.db2.gz MAWRGUBGAOIUGJ-JGVFFNPUSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@H]1CC[C@@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307210110 711774030 /nfs/dbraw/zinc/77/40/30/711774030.db2.gz MAWRGUBGAOIUGJ-JGVFFNPUSA-N 1 2 246.763 2.142 10 0 BEAELO Cc1cc(C[NH2+]Cc2ncc(C)cc2C)nn1C ZINC000724095381 711560397 /nfs/dbraw/zinc/56/03/97/711560397.db2.gz JGUJJXNALQDQAA-UHFFFAOYSA-N 1 2 244.342 2.030 10 0 BEAELO CCc1cnc(C[N@@H+]2CCC[C@@H](C(C)=O)C2)o1 ZINC000700406628 711992140 /nfs/dbraw/zinc/99/21/40/711992140.db2.gz XKYMWBDLAULCNK-LLVKDONJSA-N 1 2 236.315 2.038 10 0 BEAELO CCc1cnc(C[N@H+]2CCC[C@@H](C(C)=O)C2)o1 ZINC000700406628 711992143 /nfs/dbraw/zinc/99/21/43/711992143.db2.gz XKYMWBDLAULCNK-LLVKDONJSA-N 1 2 236.315 2.038 10 0 BEAELO CC[C@@H](C)[C@@H]([NH2+]C1CC(SC)C1)C(=O)OC ZINC000706944694 712162866 /nfs/dbraw/zinc/16/28/66/712162866.db2.gz GPNWUMVIMAXSLP-AGVGLQIMSA-N 1 2 245.388 2.058 10 0 BEAELO Cc1conc1C[NH2+][C@H](C)c1cncc(F)c1 ZINC000708274680 712185441 /nfs/dbraw/zinc/18/54/41/712185441.db2.gz LHXDWWDRZNDVJV-SECBINFHSA-N 1 2 235.262 2.368 10 0 BEAELO CCCNc1cc(NCc2ccncc2)nc[nH+]1 ZINC000128681305 973839543 /nfs/dbraw/zinc/83/95/43/973839543.db2.gz QCTWKSKDWMTBCU-UHFFFAOYSA-N 1 2 243.314 2.306 10 0 BEAELO CCCNc1cc(NCc2ccncc2)[nH+]cn1 ZINC000128681305 973839551 /nfs/dbraw/zinc/83/95/51/973839551.db2.gz QCTWKSKDWMTBCU-UHFFFAOYSA-N 1 2 243.314 2.306 10 0 BEAELO CC[C@H](C)[C@@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000685963576 538910400 /nfs/dbraw/zinc/91/04/00/538910400.db2.gz SVWGGLSDQZBBHO-CKLFPEKLSA-N 1 2 220.316 2.012 10 0 BEAELO Nc1cn(Cc2ccc(Cl)cc2F)c[nH+]1 ZINC000685964273 538910993 /nfs/dbraw/zinc/91/09/93/538910993.db2.gz CFPHFZYARPPCEW-UHFFFAOYSA-N 1 2 225.654 2.306 10 0 BEAELO Cc1cc(CNc2cc[nH+]c(C3CC3)n2)on1 ZINC000112076698 178044539 /nfs/dbraw/zinc/04/45/39/178044539.db2.gz CFHPUOQWSLANRI-UHFFFAOYSA-N 1 2 230.271 2.263 10 0 BEAELO Brc1ccoc1[C@H]1[NH2+]CCS1 ZINC000232457265 398181249 /nfs/dbraw/zinc/18/12/49/398181249.db2.gz DSGPOSJCLFRMBC-ZETCQYMHSA-N 1 2 234.118 2.377 10 0 BEAELO Cc1cc([NH3+])ccc1N(C)C[C@@H]1CCCO1 ZINC000058681463 178105073 /nfs/dbraw/zinc/10/50/73/178105073.db2.gz PKPNCRYEJKLLMR-LBPRGKRZSA-N 1 2 220.316 2.192 10 0 BEAELO Cc1cc(N)ccc1N[C@H](C)Cn1cc[nH+]c1 ZINC000049234745 178107518 /nfs/dbraw/zinc/10/75/18/178107518.db2.gz MGYUHPYDRZVBRB-LLVKDONJSA-N 1 2 230.315 2.274 10 0 BEAELO Cc1cc(N2C[C@H]3CC=CC[C@@H]3C2)nc[nH+]1 ZINC000301458032 178121780 /nfs/dbraw/zinc/12/17/80/178121780.db2.gz ZHBCDCWFJNWEDW-VXGBXAGGSA-N 1 2 215.300 2.187 10 0 BEAELO Cc1cc([NH2+]C[C@H]2CCCO2)ccc1N ZINC000035277822 178169455 /nfs/dbraw/zinc/16/94/55/178169455.db2.gz UTPJXUKIEOPLIN-LLVKDONJSA-N 1 2 206.289 2.168 10 0 BEAELO Cc1cc(N[C@@H](C)c2ccncc2)nc[nH+]1 ZINC000040727175 178179928 /nfs/dbraw/zinc/17/99/28/178179928.db2.gz XIFMVQOLLPRIKD-JTQLQIEISA-N 1 2 214.272 2.353 10 0 BEAELO Cc1cc(O)ccc1NCc1[nH]cc[nH+]1 ZINC000070634886 178201579 /nfs/dbraw/zinc/20/15/79/178201579.db2.gz IRMPGHJOXFXHST-UHFFFAOYSA-N 1 2 203.245 2.036 10 0 BEAELO Cc1cc2[nH]c(Cn3cc(N)cn3)[nH+]c2cc1C ZINC000051848084 178302866 /nfs/dbraw/zinc/30/28/66/178302866.db2.gz WNITVUNJSHEOKI-UHFFFAOYSA-N 1 2 241.298 2.007 10 0 BEAELO CCOC(=O)N1CCCC[C@@H]1c1cc[nH+]c(N)c1 ZINC000616612735 349573568 /nfs/dbraw/zinc/57/35/68/349573568.db2.gz NBJBYWTWKASFBT-LLVKDONJSA-N 1 2 249.314 2.178 10 0 BEAELO CNc1nc(C[NH+]2CC(C)(C)C2)cs1 ZINC000306652958 361862812 /nfs/dbraw/zinc/86/28/12/361862812.db2.gz GQELUJFCTKXFMZ-UHFFFAOYSA-N 1 2 211.334 2.027 10 0 BEAELO C[C@H]1CC([NH2+]OC(C)(C)C)C[C@H](C)O1 ZINC000134493017 342859096 /nfs/dbraw/zinc/85/90/96/342859096.db2.gz FLHUDVTVFCWBBI-IUCAKERBSA-N 1 2 201.310 2.262 10 0 BEAELO COC(=O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000019885539 342961483 /nfs/dbraw/zinc/96/14/83/342961483.db2.gz MMQUJPPZIBINDN-LLVKDONJSA-N 1 2 221.300 2.127 10 0 BEAELO COC(=O)C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000019885537 342961798 /nfs/dbraw/zinc/96/17/98/342961798.db2.gz MMQUJPPZIBINDN-NSHDSACASA-N 1 2 221.300 2.127 10 0 BEAELO C[NH+](C)[C@H](CO)c1c(F)cccc1Cl ZINC000041230759 342984618 /nfs/dbraw/zinc/98/46/18/342984618.db2.gz BQOFBSQQVVSQID-SECBINFHSA-N 1 2 217.671 2.074 10 0 BEAELO C[NH2+][C@@H](c1ccsn1)c1occc1C ZINC000306668320 362024916 /nfs/dbraw/zinc/02/49/16/362024916.db2.gz FPLSBTJJIRNHSM-VIFPVBQESA-N 1 2 208.286 2.353 10 0 BEAELO CNc1c(N)c[nH+]c2c(F)c(OC)ccc12 ZINC000584881844 343083275 /nfs/dbraw/zinc/08/32/75/343083275.db2.gz FBIHBXRQIVGTOJ-UHFFFAOYSA-N 1 2 221.235 2.006 10 0 BEAELO Nc1c[nH+]c2c(OC(F)F)cccc2c1N ZINC000584882347 343084774 /nfs/dbraw/zinc/08/47/74/343084774.db2.gz DHAXYDVFWFBSFM-UHFFFAOYSA-N 1 2 225.198 2.001 10 0 BEAELO C[NH2+][C@H](c1ccsn1)c1cnc(C)s1 ZINC000306669386 362032619 /nfs/dbraw/zinc/03/26/19/362032619.db2.gz GWBHNVMMPSWSPT-SECBINFHSA-N 1 2 225.342 2.217 10 0 BEAELO O=c1cc(Cn2cc[nH+]c2)c2ccccc2o1 ZINC000013586713 343096063 /nfs/dbraw/zinc/09/60/63/343096063.db2.gz SOWQJCOJWDYZNR-UHFFFAOYSA-N 1 2 226.235 2.038 10 0 in-vivo BEAELO CC[C@H]1Cc2cc(OC)c(OC)cc2C=[NH+]1 ZINC000261304814 349827842 /nfs/dbraw/zinc/82/78/42/349827842.db2.gz IBWTYWVRKRDLGX-NSHDSACASA-N 1 2 219.284 2.457 10 0 BEAELO CC(C)n1c2ccccc2[nH+]c1NC[C@H](C)O ZINC000000513226 346952887 /nfs/dbraw/zinc/95/28/87/346952887.db2.gz JVZYEUVCHFWOCQ-JTQLQIEISA-N 1 2 233.315 2.410 10 0 BEAELO FC(F)(F)CNC1=[NH+]C[C@@H](C2CC2)S1 ZINC000070887331 343956871 /nfs/dbraw/zinc/95/68/71/343956871.db2.gz LHZXKSURJITPIQ-LURJTMIESA-N 1 2 224.251 2.020 10 0 BEAELO Cc1nc([C@H]2[NH2+]C[C@H](C)CS2)cs1 ZINC000126791624 344103385 /nfs/dbraw/zinc/10/33/85/344103385.db2.gz PDZOQTLVURCQBM-RCOVLWMOSA-N 1 2 214.359 2.423 10 0 BEAELO CCn1cc[nH+]c1CSC1CCOCC1 ZINC000130998507 344218529 /nfs/dbraw/zinc/21/85/29/344218529.db2.gz NRVGUCMNPVKZCG-UHFFFAOYSA-N 1 2 226.345 2.315 10 0 BEAELO Nc1ccc2[nH+]c(-c3cscn3)cn2c1 ZINC000084396618 344427111 /nfs/dbraw/zinc/42/71/11/344427111.db2.gz WDKGXJJVRWCBRE-UHFFFAOYSA-N 1 2 216.269 2.040 10 0 BEAELO CCOC(=O)N1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000616617447 344558809 /nfs/dbraw/zinc/55/88/09/344558809.db2.gz YCSSECRUGFNZPZ-LLVKDONJSA-N 1 2 249.314 2.114 10 0 BEAELO COc1ccc[nH+]c1NC[C@H]1CCCC[C@H]1O ZINC000128126996 345116164 /nfs/dbraw/zinc/11/61/64/345116164.db2.gz CYHZLSDIVVZIGC-GHMZBOCLSA-N 1 2 236.315 2.053 10 0 BEAELO Fc1ccc(Br)n2c[nH+]cc12 ZINC000238620772 345093481 /nfs/dbraw/zinc/09/34/81/345093481.db2.gz QXMLPUZUNQKXJV-UHFFFAOYSA-N 1 2 215.025 2.236 10 0 BEAELO CSCC[N@@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158755699 345374351 /nfs/dbraw/zinc/37/43/51/345374351.db2.gz PVQYUJCCLFSVIP-LBPRGKRZSA-N 1 2 241.356 2.324 10 0 BEAELO CSCC[N@H+]1CCO[C@H](c2ccc(C)o2)C1 ZINC000158755699 345374353 /nfs/dbraw/zinc/37/43/53/345374353.db2.gz PVQYUJCCLFSVIP-LBPRGKRZSA-N 1 2 241.356 2.324 10 0 BEAELO CCOC(=O)CC[C@@H](C)Nc1cccc[nH+]1 ZINC000089656773 345558372 /nfs/dbraw/zinc/55/83/72/345558372.db2.gz SGZVTFWVKJPUGK-SNVBAGLBSA-N 1 2 222.288 2.225 10 0 BEAELO COC(=O)[C@H](C)[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000113562998 345754344 /nfs/dbraw/zinc/75/43/44/345754344.db2.gz VSJNWVCUBPAENV-MNOVXSKESA-N 1 2 246.310 2.113 10 0 BEAELO COC(=O)[C@H](C)[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000113562998 345754347 /nfs/dbraw/zinc/75/43/47/345754347.db2.gz VSJNWVCUBPAENV-MNOVXSKESA-N 1 2 246.310 2.113 10 0 BEAELO CC[N@@H+]1CCn2c(cc3ccccc32)C1 ZINC000206250998 345758078 /nfs/dbraw/zinc/75/80/78/345758078.db2.gz XLKHDCMGBVHWEF-UHFFFAOYSA-N 1 2 200.285 2.477 10 0 BEAELO CC[N@H+]1CCn2c(cc3ccccc32)C1 ZINC000206250998 345758081 /nfs/dbraw/zinc/75/80/81/345758081.db2.gz XLKHDCMGBVHWEF-UHFFFAOYSA-N 1 2 200.285 2.477 10 0 BEAELO c1[nH]cc(C[C@H]2CCc3ncccc3C2)[nH+]1 ZINC000034278984 345820771 /nfs/dbraw/zinc/82/07/71/345820771.db2.gz ISYIUYRWUINXCB-JTQLQIEISA-N 1 2 213.284 2.152 10 0 BEAELO COC(=O)[C@@H]1C[C@H](CCCCCF)CC[NH2+]1 ZINC000144188904 345918518 /nfs/dbraw/zinc/91/85/18/345918518.db2.gz YPRARCYNHCUPET-MNOVXSKESA-N 1 2 231.311 2.058 10 0 BEAELO Nc1ccc([NH2+]Cc2ccccc2)cc1N ZINC000236380378 346231787 /nfs/dbraw/zinc/23/17/87/346231787.db2.gz PYHAJHVEXVFZRL-UHFFFAOYSA-N 1 2 213.284 2.463 10 0 BEAELO CCn1cc[nH+]c1-c1cc(C)nc(F)c1 ZINC000669379210 537975170 /nfs/dbraw/zinc/97/51/70/537975170.db2.gz XJFWGWIMWKAVNL-UHFFFAOYSA-N 1 2 205.236 2.413 10 0 BEAELO CCCCN(CCO)c1[nH]c2ccc(C)cc2[nH+]1 ZINC000725241203 537977058 /nfs/dbraw/zinc/97/70/58/537977058.db2.gz AQPGQOBYMCXEBN-UHFFFAOYSA-N 1 2 247.342 2.470 10 0 BEAELO CCCCN(CCO)c1[nH]c2cc(C)ccc2[nH+]1 ZINC000725241203 537977066 /nfs/dbraw/zinc/97/70/66/537977066.db2.gz AQPGQOBYMCXEBN-UHFFFAOYSA-N 1 2 247.342 2.470 10 0 BEAELO Cc1cccc(OCC[N@H+]2CCC(=O)C[C@@H]2C)c1 ZINC000042896898 179166101 /nfs/dbraw/zinc/16/61/01/179166101.db2.gz LEALDUPTPNBORJ-ZDUSSCGKSA-N 1 2 247.338 2.427 10 0 BEAELO Cc1cccc(OCC[N@@H+]2CCC(=O)C[C@@H]2C)c1 ZINC000042896898 179166104 /nfs/dbraw/zinc/16/61/04/179166104.db2.gz LEALDUPTPNBORJ-ZDUSSCGKSA-N 1 2 247.338 2.427 10 0 BEAELO Cc1cccc(OCC[N@@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000042896712 179166305 /nfs/dbraw/zinc/16/63/05/179166305.db2.gz XOZOPIASVVVACO-ZDUSSCGKSA-N 1 2 247.338 2.285 10 0 BEAELO Cc1cccc(OCC[N@H+]2CCC(=O)[C@@H](C)C2)c1 ZINC000042896712 179166307 /nfs/dbraw/zinc/16/63/07/179166307.db2.gz XOZOPIASVVVACO-ZDUSSCGKSA-N 1 2 247.338 2.285 10 0 BEAELO CC(=O)NCCNc1c[nH+]c(C)c2ccccc12 ZINC000039042592 347174863 /nfs/dbraw/zinc/17/48/63/347174863.db2.gz GOTSHIYJBZFYAN-UHFFFAOYSA-N 1 2 243.310 2.091 10 0 BEAELO Cc1ccccc1C[NH2+]Cc1ncccn1 ZINC000054459283 179283131 /nfs/dbraw/zinc/28/31/31/179283131.db2.gz DKKYFDVBCNBMEB-UHFFFAOYSA-N 1 2 213.284 2.075 10 0 BEAELO CCOC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000196389104 347870860 /nfs/dbraw/zinc/87/08/60/347870860.db2.gz HJVRUIJNHGMHPI-UHFFFAOYSA-N 1 2 230.267 2.108 10 0 BEAELO O=C(Cc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000036946687 347985011 /nfs/dbraw/zinc/98/50/11/347985011.db2.gz TXGDLWGVUVKKKW-UHFFFAOYSA-N 1 2 220.659 2.489 10 0 BEAELO CC(=O)CC[N@@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126085441 187394249 /nfs/dbraw/zinc/39/42/49/187394249.db2.gz URWOUBZGKPSREE-OAHLLOKOSA-N 1 2 247.338 2.347 10 0 BEAELO CC(=O)CC[N@H+]1CCO[C@@H](c2ccccc2C)C1 ZINC000126085441 187394251 /nfs/dbraw/zinc/39/42/51/187394251.db2.gz URWOUBZGKPSREE-OAHLLOKOSA-N 1 2 247.338 2.347 10 0 BEAELO CCc1nnc(C[NH+]2CCCCC2)s1 ZINC000130033135 490212200 /nfs/dbraw/zinc/21/22/00/490212200.db2.gz KQSLIJUNHIQUHH-UHFFFAOYSA-N 1 2 211.334 2.086 10 0 BEAELO C1CCC(O[NH2+]C2CCSCC2)C1 ZINC000136893897 349265775 /nfs/dbraw/zinc/26/57/75/349265775.db2.gz DLVMRKCDYVTKAC-UHFFFAOYSA-N 1 2 201.335 2.346 10 0 BEAELO Cc1[nH+]c(-c2ccc3c(c2)CCO3)nc(N)c1C ZINC000050867504 179864879 /nfs/dbraw/zinc/86/48/79/179864879.db2.gz XIULLAQORNEYFK-UHFFFAOYSA-N 1 2 241.294 2.278 10 0 BEAELO Cc1nc(NCCCO)cc(-c2ccccc2)[nH+]1 ZINC000011849504 180018153 /nfs/dbraw/zinc/01/81/53/180018153.db2.gz RZXNGZHBEBHLCM-UHFFFAOYSA-N 1 2 243.310 2.246 10 0 BEAELO Cc1nc(N[C@H]2C[C@H]2C)c2c([nH+]1)CCCC2 ZINC000302041189 180070187 /nfs/dbraw/zinc/07/01/87/180070187.db2.gz IBEHOXVJPUNQPF-PELKAZGASA-N 1 2 217.316 2.484 10 0 BEAELO Cc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1ccco1 ZINC000090226998 180110891 /nfs/dbraw/zinc/11/08/91/180110891.db2.gz IZARBMYDVIVBSV-ONGXEEELSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1[nH+]c2ccccc2n1CCC(N)=S ZINC000019504604 180102883 /nfs/dbraw/zinc/10/28/83/180102883.db2.gz WZJBAXRLFNXKNJ-UHFFFAOYSA-N 1 2 219.313 2.021 10 0 BEAELO Cc1[nH+]c[nH]c1CNc1ccc(F)cc1 ZINC000054793812 180121313 /nfs/dbraw/zinc/12/13/13/180121313.db2.gz LVHMAHWYGZBQKK-UHFFFAOYSA-N 1 2 205.236 2.469 10 0 BEAELO Cc1cc(N(C)C)[nH+]c2ccc(C=O)cc12 ZINC000034320058 350169091 /nfs/dbraw/zinc/16/90/91/350169091.db2.gz RKMCAMVWGOVVMN-UHFFFAOYSA-N 1 2 214.268 2.422 10 0 BEAELO Cc1nc([C@H](C)[NH2+]Cc2ccnc(C)n2)cs1 ZINC000038037656 180190684 /nfs/dbraw/zinc/19/06/84/180190684.db2.gz ZFPQNERPYMKKED-QMMMGPOBSA-N 1 2 248.355 2.401 10 0 BEAELO Cc1[nH+]cccc1N[C@H](C)c1ccnn1C ZINC000192252140 180228491 /nfs/dbraw/zinc/22/84/91/180228491.db2.gz QZJWVSJGGYSDLE-SNVBAGLBSA-N 1 2 216.288 2.297 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1ccccc1NC(C)=O ZINC000616602916 350789173 /nfs/dbraw/zinc/78/91/73/350789173.db2.gz WHOBZOKLKLUZRL-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1ccccc1NC(C)=O ZINC000616602916 350789174 /nfs/dbraw/zinc/78/91/74/350789174.db2.gz WHOBZOKLKLUZRL-CQSZACIVSA-N 1 2 248.326 2.038 10 0 BEAELO c1[nH]nnc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607221 350800266 /nfs/dbraw/zinc/80/02/66/350800266.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO c1[nH]nnc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607221 350800269 /nfs/dbraw/zinc/80/02/69/350800269.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO c1nn[nH]c1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607221 350800271 /nfs/dbraw/zinc/80/02/71/350800271.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO c1nn[nH]c1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607221 350800272 /nfs/dbraw/zinc/80/02/72/350800272.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO c1n[nH]nc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616607221 350800275 /nfs/dbraw/zinc/80/02/75/350800275.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO c1n[nH]nc1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000616607221 350800277 /nfs/dbraw/zinc/80/02/77/350800277.db2.gz PNIAEJQLVCHZQK-ZDUSSCGKSA-N 1 2 228.299 2.142 10 0 BEAELO C[NH2+][C@@H](c1cscn1)c1cc(C)ns1 ZINC000306682179 350837982 /nfs/dbraw/zinc/83/79/82/350837982.db2.gz QKIDUBXCBXZAOO-VIFPVBQESA-N 1 2 225.342 2.217 10 0 BEAELO C/C=C/C[S@@](=O)Cc1[nH+]ccn1C(C)C ZINC000176837998 191125513 /nfs/dbraw/zinc/12/55/13/191125513.db2.gz UJTFJCXZGJFSST-MBVDDHJVSA-N 1 2 226.345 2.289 10 0 BEAELO C[C@H](NC1=[NH+]C[C@H](C)S1)C(F)(F)F ZINC000306746359 350934861 /nfs/dbraw/zinc/93/48/61/350934861.db2.gz IVHKGSVXYZQHKS-WHFBIAKZSA-N 1 2 212.240 2.018 10 0 BEAELO CC(=O)c1nc(C(C)(C)[NH+](C)C)sc1C ZINC000306774905 351016046 /nfs/dbraw/zinc/01/60/46/351016046.db2.gz WDZZOLFRKVXPNM-UHFFFAOYSA-N 1 2 226.345 2.451 10 0 BEAELO COc1ccc([C@H]2CN(C(C)(C)C)CC[NH2+]2)cc1 ZINC000616632129 351110342 /nfs/dbraw/zinc/11/03/42/351110342.db2.gz MLGQXCYFVFTUGY-CQSZACIVSA-N 1 2 248.370 2.440 10 0 BEAELO COC(=O)N1CCCCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000616623086 351088704 /nfs/dbraw/zinc/08/87/04/351088704.db2.gz VMGHIUKFPYKHLC-LLVKDONJSA-N 1 2 249.314 2.178 10 0 BEAELO CCOC(=O)N1CCC[C@H](n2cc[nH+]c2)CC1 ZINC000616627663 351095708 /nfs/dbraw/zinc/09/57/08/351095708.db2.gz KGFKUZUZIYDNDX-NSHDSACASA-N 1 2 237.303 2.067 10 0 BEAELO Cc1cnn(-c2cc[nH+]cc2Br)c1 ZINC000159968910 351146038 /nfs/dbraw/zinc/14/60/38/351146038.db2.gz RNRVGWQPUPGWCL-UHFFFAOYSA-N 1 2 238.088 2.338 10 0 BEAELO CC[N@@H+]1CCOC[C@H]1c1ccccc1F 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/nfs/dbraw/zinc/15/72/02/384157202.db2.gz AYVFNYFEQBZZET-RYUDHWBXSA-N 1 2 238.356 2.287 10 0 BEAELO Cn1cc([C@H]2CCC[N@@H+]2Cc2nccs2)cn1 ZINC000135039676 384408706 /nfs/dbraw/zinc/40/87/06/384408706.db2.gz ACSJFFGUTIHZEH-LLVKDONJSA-N 1 2 248.355 2.214 10 0 BEAELO Cn1cc([C@H]2CCC[N@H+]2Cc2nccs2)cn1 ZINC000135039676 384408714 /nfs/dbraw/zinc/40/87/14/384408714.db2.gz ACSJFFGUTIHZEH-LLVKDONJSA-N 1 2 248.355 2.214 10 0 BEAELO CCOc1cc(C=O)ccc1-n1c[nH+]c(C)c1 ZINC000095938048 384417318 /nfs/dbraw/zinc/41/73/18/384417318.db2.gz POSKAEPTTCNMSH-UHFFFAOYSA-N 1 2 230.267 2.392 10 0 BEAELO Cc1[nH+]c(-c2ccsc2)nc(N)c1C ZINC000050847348 384495636 /nfs/dbraw/zinc/49/56/36/384495636.db2.gz CIGBKPJNNQWFPG-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO CC(C)(C)OC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052880814 384612986 /nfs/dbraw/zinc/61/29/86/384612986.db2.gz SMFLSCJHGMOWSS-CYBMUJFWSA-N 1 2 221.300 2.202 10 0 BEAELO COC[C@@H](C)[N@@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125026054 384690540 /nfs/dbraw/zinc/69/05/40/384690540.db2.gz FLTUANGAYMEDCW-PWSUYJOCSA-N 1 2 241.356 2.156 10 0 BEAELO COC[C@@H](C)[N@H+]1CCO[C@H](c2ccsc2)C1 ZINC000125026054 384690543 /nfs/dbraw/zinc/69/05/43/384690543.db2.gz FLTUANGAYMEDCW-PWSUYJOCSA-N 1 2 241.356 2.156 10 0 BEAELO C[C@@H]1OCC[C@H]1Nc1[nH+]c2ccccc2n1C ZINC000150079270 384963143 /nfs/dbraw/zinc/96/31/43/384963143.db2.gz BPXWHPFLSYSHSJ-VHSXEESVSA-N 1 2 231.299 2.163 10 0 BEAELO CCc1ccc([C@@H]([NH3+])c2cscn2)o1 ZINC000062357060 385134224 /nfs/dbraw/zinc/13/42/24/385134224.db2.gz AHAKEHRARHMXFB-JTQLQIEISA-N 1 2 208.286 2.347 10 0 BEAELO c1cncc(CCNc2cc[nH+]c(C3CC3)n2)c1 ZINC000110127431 385215098 /nfs/dbraw/zinc/21/50/98/385215098.db2.gz VAEOIPVEABMCTM-UHFFFAOYSA-N 1 2 240.310 2.404 10 0 BEAELO Cc1cc(NC[C@H]2CCO[C@@H]2C(C)(C)C)nc[nH+]1 ZINC000328614746 385240816 /nfs/dbraw/zinc/24/08/16/385240816.db2.gz WVGLPFYFNISMPK-YPMHNXCESA-N 1 2 249.358 2.070 10 0 BEAELO CNc1nc(NC(C)C)[nH+]c2ccccc21 ZINC000169336104 385411821 /nfs/dbraw/zinc/41/18/21/385411821.db2.gz KUVHWYXTRNRFKD-UHFFFAOYSA-N 1 2 216.288 2.492 10 0 BEAELO C[NH+](C)CC(=O)c1ccc(Br)s1 ZINC000037333612 385638283 /nfs/dbraw/zinc/63/82/83/385638283.db2.gz QDUPHOOYDBTNFZ-UHFFFAOYSA-N 1 2 248.145 2.255 10 0 BEAELO C[C@@H]1c2[nH+]c[nH]c2CCN1C(=O)OC(C)(C)C ZINC000253570493 385683173 /nfs/dbraw/zinc/68/31/73/385683173.db2.gz NRCVMRHBKHPTTN-MRVPVSSYSA-N 1 2 237.303 2.264 10 0 BEAELO C[C@@H]1c2[nH]c[nH+]c2CCN1C(=O)OC(C)(C)C ZINC000253570493 385683177 /nfs/dbraw/zinc/68/31/77/385683177.db2.gz NRCVMRHBKHPTTN-MRVPVSSYSA-N 1 2 237.303 2.264 10 0 BEAELO c1nnc([C@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)[nH]1 ZINC000182694639 385695784 /nfs/dbraw/zinc/69/57/84/385695784.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 1 2 232.331 2.440 10 0 BEAELO c1nnc([C@H]2CCCC[N@H+]2[C@H]2C=CCCC2)[nH]1 ZINC000182694639 385695792 /nfs/dbraw/zinc/69/57/92/385695792.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@H]2CCCC[N@@H+]2[C@H]2C=CCCC2)n[nH]1 ZINC000182694639 385695799 /nfs/dbraw/zinc/69/57/99/385695799.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 1 2 232.331 2.440 10 0 BEAELO c1nc([C@H]2CCCC[N@H+]2[C@H]2C=CCCC2)n[nH]1 ZINC000182694639 385695804 /nfs/dbraw/zinc/69/58/04/385695804.db2.gz RTPJCMUFWGKKPA-NWDGAFQWSA-N 1 2 232.331 2.440 10 0 BEAELO Cc1nnc([C@@H](C)Nc2cccc[nH+]2)s1 ZINC000273552245 385842756 /nfs/dbraw/zinc/84/27/56/385842756.db2.gz ZBSNBCDBDAQKEG-SSDOTTSWSA-N 1 2 220.301 2.415 10 0 BEAELO C[C@H]1[C@H](O)CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000296061720 386709729 /nfs/dbraw/zinc/70/97/29/386709729.db2.gz GEHPNYQHXNYFMI-IONNQARKSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@H]1[C@H](O)CCC[N@H+]1Cc1csc(Cl)n1 ZINC000296061720 386709735 /nfs/dbraw/zinc/70/97/35/386709735.db2.gz GEHPNYQHXNYFMI-IONNQARKSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@@H+]1Cc1csc(Cl)n1 ZINC000296061717 386708377 /nfs/dbraw/zinc/70/83/77/386708377.db2.gz GEHPNYQHXNYFMI-APPZFPTMSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1csc(Cl)n1 ZINC000296061717 386708383 /nfs/dbraw/zinc/70/83/83/386708383.db2.gz GEHPNYQHXNYFMI-APPZFPTMSA-N 1 2 246.763 2.142 10 0 BEAELO Cn1c[nH+]cc1-c1cccc(Br)n1 ZINC000575453372 386811294 /nfs/dbraw/zinc/81/12/94/386811294.db2.gz GQHKUCQXJFXWHP-UHFFFAOYSA-N 1 2 238.088 2.245 10 0 BEAELO c1ccc(N2C[C@@H]3CC=CC[C@H]3C2)[nH+]c1 ZINC000301409635 386841974 /nfs/dbraw/zinc/84/19/74/386841974.db2.gz JHFRMEQKULZWKH-RYUDHWBXSA-N 1 2 200.285 2.484 10 0 BEAELO FC(F)n1ccnc1C[N@@H+]1C[C@@H]2CCC[C@H]21 ZINC000334789594 386854015 /nfs/dbraw/zinc/85/40/15/386854015.db2.gz ZIGSTZUYNMIMDE-DTWKUNHWSA-N 1 2 227.258 2.263 10 0 BEAELO FC(F)n1ccnc1C[N@H+]1C[C@@H]2CCC[C@H]21 ZINC000334789594 386854022 /nfs/dbraw/zinc/85/40/22/386854022.db2.gz ZIGSTZUYNMIMDE-DTWKUNHWSA-N 1 2 227.258 2.263 10 0 BEAELO c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)[nH+]c1 ZINC000301832155 386881228 /nfs/dbraw/zinc/88/12/28/386881228.db2.gz TWLHVYGZBHSPBZ-RTXFEEFZSA-N 1 2 230.311 2.451 10 0 BEAELO O=C1OCC[C@@H]1[N@H+]1CC=C(c2cccs2)CC1 ZINC000117894465 387031326 /nfs/dbraw/zinc/03/13/26/387031326.db2.gz KSRYMTZONDYDPI-NSHDSACASA-N 1 2 249.335 2.153 10 0 BEAELO O=C1OCC[C@@H]1[N@@H+]1CC=C(c2cccs2)CC1 ZINC000117894465 387031328 /nfs/dbraw/zinc/03/13/28/387031328.db2.gz KSRYMTZONDYDPI-NSHDSACASA-N 1 2 249.335 2.153 10 0 BEAELO Nc1[nH+]cnc2[nH]nc(-c3ccc(Cl)cc3)c21 ZINC000034332971 387048757 /nfs/dbraw/zinc/04/87/57/387048757.db2.gz CVFFSNDOBXFEKR-UHFFFAOYSA-N 1 2 245.673 2.256 10 0 BEAELO COc1c(CNc2c[nH+]cc(C)c2)c(C)nn1C ZINC000227603388 387056862 /nfs/dbraw/zinc/05/68/62/387056862.db2.gz PARWDOYEOYSNRT-UHFFFAOYSA-N 1 2 246.314 2.053 10 0 BEAELO C[C@H](CF)Nc1cc(N)cc(Cl)[nH+]1 ZINC000575581890 387058757 /nfs/dbraw/zinc/05/87/57/387058757.db2.gz ADIVDRPLOICZJC-RXMQYKEDSA-N 1 2 203.648 2.087 10 0 BEAELO O[C@H]1CC[C@@H](c2[nH]c3ccccc3[nH+]2)C1 ZINC000575601842 387369287 /nfs/dbraw/zinc/36/92/87/387369287.db2.gz GHEHQDLOWARYEX-BDAKNGLRSA-N 1 2 202.257 2.191 10 0 BEAELO C[N@H+](CC(=O)NC(C)(C)C)Cc1ccsc1 ZINC000061800429 387847193 /nfs/dbraw/zinc/84/71/93/387847193.db2.gz UDLDJUFZMGGCIW-UHFFFAOYSA-N 1 2 240.372 2.095 10 0 BEAELO C[N@@H+](CC(=O)NC(C)(C)C)Cc1ccsc1 ZINC000061800429 387847196 /nfs/dbraw/zinc/84/71/96/387847196.db2.gz UDLDJUFZMGGCIW-UHFFFAOYSA-N 1 2 240.372 2.095 10 0 BEAELO c1ncc(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000245512776 388421365 /nfs/dbraw/zinc/42/13/65/388421365.db2.gz AYVFNYFEQBZZET-VXGBXAGGSA-N 1 2 238.356 2.287 10 0 BEAELO c1ncc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)s1 ZINC000245512776 388421368 /nfs/dbraw/zinc/42/13/68/388421368.db2.gz AYVFNYFEQBZZET-VXGBXAGGSA-N 1 2 238.356 2.287 10 0 BEAELO Cc1nc(N[C@@H]2CCC[C@H]3C[C@H]32)cc[nH+]1 ZINC000378808278 388509607 /nfs/dbraw/zinc/50/96/07/388509607.db2.gz YGZNAHJLACVEEW-HBNTYKKESA-N 1 2 203.289 2.386 10 0 BEAELO CNc1cc(-c2cccc(F)c2F)[nH+]c(N)n1 ZINC000223257675 388584625 /nfs/dbraw/zinc/58/46/25/388584625.db2.gz HLDCDPSJUDUYOO-UHFFFAOYSA-N 1 2 236.225 2.046 10 0 BEAELO CCn1cc[nH+]c1C[S@](=O)c1ccoc1C ZINC000189638573 388641006 /nfs/dbraw/zinc/64/10/06/388641006.db2.gz AGTXIRIKKBHTAQ-INIZCTEOSA-N 1 2 238.312 2.112 10 0 BEAELO Nc1cc(NC(=O)OCc2ccccc2)cc[nH+]1 ZINC000575468958 388842381 /nfs/dbraw/zinc/84/23/81/388842381.db2.gz DWWZNUPBWWJYPS-UHFFFAOYSA-N 1 2 243.266 2.243 10 0 BEAELO COC(=O)[C@](C)([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037514697 388891074 /nfs/dbraw/zinc/89/10/74/388891074.db2.gz UAVQAZQHPGUTAD-SNVBAGLBSA-N 1 2 247.216 2.052 10 0 BEAELO Nc1cccc2c1CCN(c1cccc[nH+]1)C2 ZINC000038032943 132345822 /nfs/dbraw/zinc/34/58/22/132345822.db2.gz FAVNUAWZUXVIJT-UHFFFAOYSA-N 1 2 225.295 2.227 10 0 BEAELO c1cn(CCCN2CCNc3ccccc32)c[nH+]1 ZINC000058790598 132368371 /nfs/dbraw/zinc/36/83/71/132368371.db2.gz JNVUXCYWWUDDIU-UHFFFAOYSA-N 1 2 242.326 2.205 10 0 BEAELO C[C@@H]1C[C@@H](C)CN(c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812195 132387216 /nfs/dbraw/zinc/38/72/16/132387216.db2.gz LKPGQALJBHPCRY-NXEZZACHSA-N 1 2 249.383 2.198 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2cccn2C)o1 ZINC000220950284 134315086 /nfs/dbraw/zinc/31/50/86/134315086.db2.gz HHIHNDZPOXCJQZ-JTQLQIEISA-N 1 2 219.288 2.172 10 0 BEAELO C[C@@H]1COC[C@@H](C)[NH+]1Cc1nc2ccccc2o1 ZINC000077367523 135063140 /nfs/dbraw/zinc/06/31/40/135063140.db2.gz XPLICTSRQHZLPV-GHMZBOCLSA-N 1 2 246.310 2.437 10 0 BEAELO Cc1nocc1C[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000334304869 135348231 /nfs/dbraw/zinc/34/82/31/135348231.db2.gz CGGDQEAZJDHVMG-QWHCGFSZSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nocc1C[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000334304869 135348233 /nfs/dbraw/zinc/34/82/33/135348233.db2.gz CGGDQEAZJDHVMG-QWHCGFSZSA-N 1 2 236.315 2.126 10 0 BEAELO CCC(C)(C)NC(=O)[C@H]1CCCn2cc[nH+]c21 ZINC000080511228 135378990 /nfs/dbraw/zinc/37/89/90/135378990.db2.gz NXVURRDUPXFROY-JTQLQIEISA-N 1 2 235.331 2.065 10 0 BEAELO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)n(C)n2)o1 ZINC000348217228 136046605 /nfs/dbraw/zinc/04/66/05/136046605.db2.gz FUDIRLPCBRRQIZ-NSHDSACASA-N 1 2 233.315 2.481 10 0 BEAELO CO[C@H]1CCC[C@@H](Nc2cccc[nH+]2)C1 ZINC000301777322 397791984 /nfs/dbraw/zinc/79/19/84/397791984.db2.gz LUKYABURMBEMIP-MNOVXSKESA-N 1 2 206.289 2.451 10 0 BEAELO Cc1ccccc1[C@H](C)Nc1nc(C)[nH+]c(N)n1 ZINC000197838865 398114604 /nfs/dbraw/zinc/11/46/04/398114604.db2.gz LXRGOLQDXPPEQU-VIFPVBQESA-N 1 2 243.314 2.244 10 0 BEAELO Cc1ccccc1[C@H](C)Nc1nc(N)nc(C)[nH+]1 ZINC000197838865 398114607 /nfs/dbraw/zinc/11/46/07/398114607.db2.gz LXRGOLQDXPPEQU-VIFPVBQESA-N 1 2 243.314 2.244 10 0 BEAELO Brc1ccc(Cn2cc[nH+]c2)cn1 ZINC000084614813 166098216 /nfs/dbraw/zinc/09/82/16/166098216.db2.gz RMVSKVIWDJAADC-UHFFFAOYSA-N 1 2 238.088 2.089 10 0 BEAELO CC1(CNc2ccc(N3CCCC3)[nH+]c2)COC1 ZINC000227521615 168048316 /nfs/dbraw/zinc/04/83/16/168048316.db2.gz CGPGVKCUKZHYEV-UHFFFAOYSA-N 1 2 247.342 2.130 10 0 BEAELO CC1(CNC(=O)[C@H]2CCCn3cc[nH+]c32)CCC1 ZINC000175130911 168036923 /nfs/dbraw/zinc/03/69/23/168036923.db2.gz HYPPFKPBAFKHEA-NSHDSACASA-N 1 2 247.342 2.067 10 0 BEAELO CC1CCC(CO)(Nc2cccc[nH+]2)CC1 ZINC000053109679 168156228 /nfs/dbraw/zinc/15/62/28/168156228.db2.gz FKGDPAFJRBMIEM-UHFFFAOYSA-N 1 2 220.316 2.435 10 0 BEAELO Cc1c[nH]c(C[NH2+][C@H](C)c2ccc(C)o2)n1 ZINC000657292800 411453289 /nfs/dbraw/zinc/45/32/89/411453289.db2.gz TYGCGMXUVJAHCX-SNVBAGLBSA-N 1 2 219.288 2.470 10 0 BEAELO Cc1c[nH]c(C[NH2+][C@H](C)c2cncc(F)c2)n1 ZINC000657432381 411505958 /nfs/dbraw/zinc/50/59/58/411505958.db2.gz MZJSLWOAOJMPON-SECBINFHSA-N 1 2 234.278 2.103 10 0 BEAELO CCNC(=O)Cn1c2ccccc2[nH+]c1C(C)C ZINC000040295692 170070671 /nfs/dbraw/zinc/07/06/71/170070671.db2.gz OOGKFLNBODCLGZ-UHFFFAOYSA-N 1 2 245.326 2.296 10 0 BEAELO CCNC(=O)Cn1c2ccccc2[nH+]c1C1CC1 ZINC000040295978 170071037 /nfs/dbraw/zinc/07/10/37/170071037.db2.gz PDLBNGSICPELMV-UHFFFAOYSA-N 1 2 243.310 2.050 10 0 BEAELO CCNc1cc(C(C)(C)C)[nH+]c(CCOC)n1 ZINC000050850694 170171032 /nfs/dbraw/zinc/17/10/32/170171032.db2.gz KZWTWCQSCVWQFY-UHFFFAOYSA-N 1 2 237.347 2.395 10 0 BEAELO CCNc1nc(CC)[nH+]c2c1CCCC2 ZINC000050852285 170176440 /nfs/dbraw/zinc/17/64/40/170176440.db2.gz INUOHPFWFLEDFI-UHFFFAOYSA-N 1 2 205.305 2.350 10 0 BEAELO CCNc1nc([C@H]2CCOC2)[nH+]c(C)c1CC ZINC000051691594 170176920 /nfs/dbraw/zinc/17/69/20/170176920.db2.gz LSXWRTDWAGXGPJ-JTQLQIEISA-N 1 2 235.331 2.283 10 0 BEAELO CCNc1[nH+]cnc2c1cnn2[C@@H](C)CC ZINC000062367254 170178065 /nfs/dbraw/zinc/17/80/65/170178065.db2.gz ASXPYEZKXLZJEQ-QMMMGPOBSA-N 1 2 219.292 2.229 10 0 BEAELO CCOC(=O)C(C)(C)[NH2+]Cc1cccc(C)c1 ZINC000102826511 170187106 /nfs/dbraw/zinc/18/71/06/170187106.db2.gz SYXRACNZHALEBJ-UHFFFAOYSA-N 1 2 235.327 2.426 10 0 BEAELO CCOC(=O)C[NH2+]C1CC(c2ccccc2)C1 ZINC000037563804 170225171 /nfs/dbraw/zinc/22/51/71/170225171.db2.gz LKFZIRCXDZGNCR-UHFFFAOYSA-N 1 2 233.311 2.085 10 0 BEAELO CCOC(=O)C[NH2+][C@H](C)CCc1ccccc1 ZINC000037394067 170226686 /nfs/dbraw/zinc/22/66/86/170226686.db2.gz BGZFPZOLJIAMEE-GFCCVEGCSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC(=O)[C@@](C)([NH3+])c1ccc(C)cc1C ZINC000037459860 170260930 /nfs/dbraw/zinc/26/09/30/170260930.db2.gz KHXUGPJJENRXCJ-ZDUSSCGKSA-N 1 2 221.300 2.040 10 0 BEAELO CCOC(=O)[C@H](C)[NH2+]CCCc1ccccc1 ZINC000049370183 170267511 /nfs/dbraw/zinc/26/75/11/170267511.db2.gz DWHQVLLOQZVGEU-LBPRGKRZSA-N 1 2 235.327 2.160 10 0 BEAELO CCOC(=O)[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000034066786 170268163 /nfs/dbraw/zinc/26/81/63/170268163.db2.gz QSYFKNULUJGLOG-GWCFXTLKSA-N 1 2 233.311 2.215 10 0 BEAELO CCOC(=O)[C@](C)([NH3+])c1cccc(Cl)c1 ZINC000037459894 170283369 /nfs/dbraw/zinc/28/33/69/170283369.db2.gz AGXIGEHOKQCRAA-LLVKDONJSA-N 1 2 227.691 2.077 10 0 BEAELO CCOC(=O)[C@](C)([NH3+])c1ccccc1Cl ZINC000037459879 170284315 /nfs/dbraw/zinc/28/43/15/170284315.db2.gz SJAILYOFADVCAK-LLVKDONJSA-N 1 2 227.691 2.077 10 0 BEAELO CCOCCC[NH2+]c1ccc(N)cc1F ZINC000020474883 170383717 /nfs/dbraw/zinc/38/37/17/170383717.db2.gz TUVBHODTKLJLIG-UHFFFAOYSA-N 1 2 212.268 2.246 10 0 BEAELO CCOCCN(CC)c1cc[nH+]c(C2CC2)n1 ZINC000110587058 170396310 /nfs/dbraw/zinc/39/63/10/170396310.db2.gz QQFMXTGDFZBEKT-UHFFFAOYSA-N 1 2 235.331 2.217 10 0 BEAELO OCC1CC(Nc2ccc3ccccc3[nH+]2)C1 ZINC000664644501 412004750 /nfs/dbraw/zinc/00/47/50/412004750.db2.gz GYRKSRGNLNKNEF-UHFFFAOYSA-N 1 2 228.295 2.418 10 0 BEAELO CCc1cc(N)nc(Cc2ccccc2)[nH+]1 ZINC000050846157 171761531 /nfs/dbraw/zinc/76/15/31/171761531.db2.gz UOIFNGRLHGTVMM-UHFFFAOYSA-N 1 2 213.284 2.212 10 0 BEAELO CCc1ccc(C[NH2+][C@@H](CC)C(=O)OC)cc1 ZINC000083362418 171809339 /nfs/dbraw/zinc/80/93/39/171809339.db2.gz VVCPXXHVUQTCAY-ZDUSSCGKSA-N 1 2 235.327 2.290 10 0 BEAELO CCc1nc([C@@H]([NH3+])c2cccc(Cl)c2)no1 ZINC000036762595 172005095 /nfs/dbraw/zinc/00/50/95/172005095.db2.gz QJIDGRSDXZDWEC-JTQLQIEISA-N 1 2 237.690 2.334 10 0 BEAELO CCc1nc([C@H]([NH3+])c2cc(C)sc2C)no1 ZINC000049687980 172007191 /nfs/dbraw/zinc/00/71/91/172007191.db2.gz SQFYLQGHGKKMLU-SNVBAGLBSA-N 1 2 237.328 2.358 10 0 BEAELO CCc1nc([C@H]([NH3+])c2sccc2C)no1 ZINC000041674657 172007628 /nfs/dbraw/zinc/00/76/28/172007628.db2.gz VBOFFZOJXGRWBJ-MRVPVSSYSA-N 1 2 223.301 2.050 10 0 BEAELO CCn1c2cc(C)c(C)cc2[nH+]c1CCO ZINC000040310656 172145237 /nfs/dbraw/zinc/14/52/37/172145237.db2.gz IUGUYPZGJLKHQL-UHFFFAOYSA-N 1 2 218.300 2.208 10 0 BEAELO COCCCOc1ccc(N)c2c[nH+]ccc12 ZINC000037746812 174257260 /nfs/dbraw/zinc/25/72/60/174257260.db2.gz KQAHMSZISYWFDY-UHFFFAOYSA-N 1 2 232.283 2.232 10 0 BEAELO COCc1ccc(C(=O)Nc2cc[nH+]cc2C)o1 ZINC000107287192 174620662 /nfs/dbraw/zinc/62/06/62/174620662.db2.gz AXSFFQOJURWSFK-UHFFFAOYSA-N 1 2 246.266 2.382 10 0 BEAELO COc1cc(C=O)c(F)cc1-n1c[nH+]c(C)c1 ZINC000095938042 174975852 /nfs/dbraw/zinc/97/58/52/174975852.db2.gz NGFXMQNVHNCHKL-UHFFFAOYSA-N 1 2 234.230 2.141 10 0 BEAELO COc1ccc(-c2cc(N)nc(C)[nH+]2)cc1OC ZINC000071559682 175031504 /nfs/dbraw/zinc/03/15/04/175031504.db2.gz LTJDJMQAUGUYAJ-UHFFFAOYSA-N 1 2 245.282 2.051 10 0 BEAELO COc1ccc(-c2nc(N)cc(C)[nH+]2)cc1OC ZINC000050845130 175038613 /nfs/dbraw/zinc/03/86/13/175038613.db2.gz ASEOPRJLTAZUJB-UHFFFAOYSA-N 1 2 245.282 2.051 10 0 BEAELO COc1ccc(-c2[nH]cc(C)[nH+]2)cc1OC ZINC000041231023 175038652 /nfs/dbraw/zinc/03/86/52/175038652.db2.gz QCWUWGWUVXQJOD-UHFFFAOYSA-N 1 2 218.256 2.402 10 0 BEAELO COc1ccc(-c2nc(N)cc(C)[nH+]2)cc1F ZINC000071536760 175039093 /nfs/dbraw/zinc/03/90/93/175039093.db2.gz KVIFJCQFJJFTPM-UHFFFAOYSA-N 1 2 233.246 2.182 10 0 BEAELO COc1ccc(-c2nc(N)c3c([nH+]2)CCC3)cc1 ZINC000050844641 175039916 /nfs/dbraw/zinc/03/99/16/175039916.db2.gz CIYWNDRQYICUKW-UHFFFAOYSA-N 1 2 241.294 2.223 10 0 BEAELO COc1ccc(C)cc1NCc1[nH]cc[nH+]1 ZINC000049714541 175078782 /nfs/dbraw/zinc/07/87/82/175078782.db2.gz GBAIJNOVXVVVST-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccc([NH2+]CC(C)(C)CO)cc1 ZINC000082711376 175150446 /nfs/dbraw/zinc/15/04/46/175150446.db2.gz SIBDNJNLCPGFEZ-UHFFFAOYSA-N 1 2 209.289 2.126 10 0 BEAELO COc1ccc(NCc2c[nH+]c[nH]2)cc1 ZINC000054763387 175151739 /nfs/dbraw/zinc/15/17/39/175151739.db2.gz SHODQYQEOJAPAT-UHFFFAOYSA-N 1 2 203.245 2.030 10 0 BEAELO COc1ccc(NCc2c[nH]c[nH+]2)cc1 ZINC000054763387 175151740 /nfs/dbraw/zinc/15/17/40/175151740.db2.gz SHODQYQEOJAPAT-UHFFFAOYSA-N 1 2 203.245 2.030 10 0 BEAELO COc1ccc(Oc2cc(N)cc[nH+]2)cc1 ZINC000043569419 175173494 /nfs/dbraw/zinc/17/34/94/175173494.db2.gz LZELJBHEPZUAJB-UHFFFAOYSA-N 1 2 216.240 2.465 10 0 BEAELO COc1ccccc1NCc1[nH]c[nH+]c1C ZINC000054793508 175337747 /nfs/dbraw/zinc/33/77/47/175337747.db2.gz OHBLILLZTPISJB-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccccc1[C@@H](C)[NH2+]Cc1c[nH]cn1 ZINC000054763458 175344824 /nfs/dbraw/zinc/34/48/24/175344824.db2.gz IMVPHKJZMPCELN-SNVBAGLBSA-N 1 2 231.299 2.269 10 0 BEAELO COc1ccccc1[C@@H](C)[NH2+]Cc1ncc[nH]1 ZINC000049714624 175346097 /nfs/dbraw/zinc/34/60/97/175346097.db2.gz IYMRFAIBULXWFI-SNVBAGLBSA-N 1 2 231.299 2.269 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@H+]1CCC(=O)c1ccccc1 ZINC000182341359 177297837 /nfs/dbraw/zinc/29/78/37/177297837.db2.gz BXJSYKGJNPNVJM-BETUJISGSA-N 1 2 247.338 2.369 10 0 BEAELO C[C@@H]1COC[C@H](C)[N@@H+]1CCC(=O)c1ccccc1 ZINC000182341359 177297838 /nfs/dbraw/zinc/29/78/38/177297838.db2.gz BXJSYKGJNPNVJM-BETUJISGSA-N 1 2 247.338 2.369 10 0 BEAELO C[C@H]1C[C@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301830063 177386323 /nfs/dbraw/zinc/38/63/23/177386323.db2.gz PMDLKCHAKLXUHK-WCBMZHEXSA-N 1 2 218.304 2.119 10 0 BEAELO C[C@H]1C[C@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301830063 177386325 /nfs/dbraw/zinc/38/63/25/177386325.db2.gz PMDLKCHAKLXUHK-WCBMZHEXSA-N 1 2 218.304 2.119 10 0 BEAELO CN(C)c1[nH+]cccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250346372 487730211 /nfs/dbraw/zinc/73/02/11/487730211.db2.gz GRORVVDQBIWUNF-JGPRNRPPSA-N 1 2 245.326 2.132 10 0 BEAELO Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc[nH+]1 ZINC000250870732 487743431 /nfs/dbraw/zinc/74/34/31/487743431.db2.gz BYIMAZUOKLIMHJ-JGPRNRPPSA-N 1 2 216.284 2.375 10 0 BEAELO CC(C)c1nn(C)cc1N[C@@H](C)c1[nH+]ccn1C ZINC000302197379 487775304 /nfs/dbraw/zinc/77/53/04/487775304.db2.gz SRRKOBOVKCGICS-JTQLQIEISA-N 1 2 247.346 2.450 10 0 BEAELO Cc1cc(-c2cnc(C3CC3)o2)c[nH+]c1N ZINC000530250208 324559362 /nfs/dbraw/zinc/55/93/62/324559362.db2.gz JAUAWHIPXQWSOZ-UHFFFAOYSA-N 1 2 215.256 2.335 10 0 BEAELO CCCCN(CC)C(=O)[C@H]1CCc2[nH+]c[nH]c2C1 ZINC000220515257 487988176 /nfs/dbraw/zinc/98/81/76/487988176.db2.gz POHHDEICDYCSDL-NSHDSACASA-N 1 2 249.358 2.163 10 0 BEAELO CCCCN(CC)C(=O)[C@H]1CCc2[nH]c[nH+]c2C1 ZINC000220515257 487988179 /nfs/dbraw/zinc/98/81/79/487988179.db2.gz POHHDEICDYCSDL-NSHDSACASA-N 1 2 249.358 2.163 10 0 BEAELO Cc1[nH+]cccc1N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000667913043 488155642 /nfs/dbraw/zinc/15/56/42/488155642.db2.gz WEBRVNWJVYTVAH-WCQYABFASA-N 1 2 218.300 2.369 10 0 BEAELO CCc1cc(N[C@](C)(CC)CCO)nc[nH+]1 ZINC000230216842 491128687 /nfs/dbraw/zinc/12/86/87/491128687.db2.gz ZLLUDGYVZRXGCC-GFCCVEGCSA-N 1 2 223.320 2.002 10 0 BEAELO COC(=O)[C@](C)(c1cccc(Cl)c1)[NH+](C)C ZINC000095532544 524003348 /nfs/dbraw/zinc/00/33/48/524003348.db2.gz SZZRXQOWNBWHHH-LBPRGKRZSA-N 1 2 241.718 2.290 10 0 BEAELO C[C@@H]1CC(=O)C[N@H+](Cc2ccccc2)[C@H]1C ZINC000238852441 526214346 /nfs/dbraw/zinc/21/43/46/526214346.db2.gz GBNPXKCPQPNLBB-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1CC(=O)C[N@@H+](Cc2ccccc2)[C@H]1C ZINC000238852441 526214353 /nfs/dbraw/zinc/21/43/53/526214353.db2.gz GBNPXKCPQPNLBB-NEPJUHHUSA-N 1 2 217.312 2.486 10 0 BEAELO CC(=O)c1ccccc1N1CCn2cc[nH+]c2C1 ZINC000062252846 534917082 /nfs/dbraw/zinc/91/70/82/534917082.db2.gz GVZLOYIYXYTYBF-UHFFFAOYSA-N 1 2 241.294 2.106 10 0 BEAELO CN1CCc2cc([NH2+]C[C@H]3CCCO3)ccc21 ZINC000757123246 582498378 /nfs/dbraw/zinc/49/83/78/582498378.db2.gz ACCJSGKMWNTPHD-CYBMUJFWSA-N 1 2 232.327 2.270 10 0 BEAELO CC(=O)[C@H]1CCC[N@H+](Cc2nc(C)c(C)o2)C1 ZINC000111690413 582818183 /nfs/dbraw/zinc/81/81/83/582818183.db2.gz OKUIHXMVHJLKFZ-LBPRGKRZSA-N 1 2 236.315 2.092 10 0 BEAELO CC(=O)[C@H]1CCC[N@@H+](Cc2nc(C)c(C)o2)C1 ZINC000111690413 582818184 /nfs/dbraw/zinc/81/81/84/582818184.db2.gz OKUIHXMVHJLKFZ-LBPRGKRZSA-N 1 2 236.315 2.092 10 0 BEAELO Cc1ccc([C@@H]2[NH2+]CCc3ccoc32)o1 ZINC000703088481 582931296 /nfs/dbraw/zinc/93/12/96/582931296.db2.gz JOQBRJNLCHMEMM-NSHDSACASA-N 1 2 203.241 2.416 10 0 BEAELO CCn1nc(C)c([C@@H](C)[NH2+]Cc2cocn2)c1C ZINC000397921649 583113382 /nfs/dbraw/zinc/11/33/82/583113382.db2.gz LRISDFGYPRCPLJ-SECBINFHSA-N 1 2 248.330 2.359 10 0 BEAELO Nc1[nH+]c(C2CCCC2)nc2[nH]ccc21 ZINC000757566007 586305111 /nfs/dbraw/zinc/30/51/11/586305111.db2.gz JRXYASGZHDZRQV-UHFFFAOYSA-N 1 2 202.261 2.149 10 0 BEAELO Cc1ccn2c[nH+]c(Br)c2c1 ZINC000107212097 588342363 /nfs/dbraw/zinc/34/23/63/588342363.db2.gz XRVRUEFQEDNRLE-UHFFFAOYSA-N 1 2 211.062 2.405 10 0 BEAELO Cc1ccc2c(c1)CCC[N@H+]2C[C@@H](C)CO ZINC000120564740 589438779 /nfs/dbraw/zinc/43/87/79/589438779.db2.gz BSAKGVFXAQNSBL-GFCCVEGCSA-N 1 2 219.328 2.376 10 0 BEAELO Cc1ccc2c(c1)CCC[N@@H+]2C[C@@H](C)CO ZINC000120564740 589438780 /nfs/dbraw/zinc/43/87/80/589438780.db2.gz BSAKGVFXAQNSBL-GFCCVEGCSA-N 1 2 219.328 2.376 10 0 BEAELO Cc1ccc([N@@H+](C)C[C@@H](C)CO)c(C)c1 ZINC000120675803 589453844 /nfs/dbraw/zinc/45/38/44/589453844.db2.gz VYDDXASSSYTPBP-LLVKDONJSA-N 1 2 207.317 2.368 10 0 BEAELO Cc1ccc([N@H+](C)C[C@@H](C)CO)c(C)c1 ZINC000120675803 589453845 /nfs/dbraw/zinc/45/38/45/589453845.db2.gz VYDDXASSSYTPBP-LLVKDONJSA-N 1 2 207.317 2.368 10 0 BEAELO CCCCOC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000123897926 589849480 /nfs/dbraw/zinc/84/94/80/589849480.db2.gz OKNMULYFKGPGAI-UHFFFAOYSA-N 1 2 245.282 2.224 10 0 BEAELO CC[C@H](C)OC(=O)c1ccnc(-n2cc[nH+]c2)c1 ZINC000124547496 590049074 /nfs/dbraw/zinc/04/90/74/590049074.db2.gz LOAMFHMDBBNEQT-JTQLQIEISA-N 1 2 245.282 2.223 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC(C)CC2)[nH+]c1 ZINC000124893329 590097945 /nfs/dbraw/zinc/09/79/45/590097945.db2.gz KDCNXONQHQDXGX-LLVKDONJSA-N 1 2 220.316 2.371 10 0 BEAELO C[C@H](O)c1ccc(N(C)Cc2ccco2)[nH+]c1 ZINC000213230140 591455850 /nfs/dbraw/zinc/45/58/50/591455850.db2.gz AVZAVLKQHABFGY-JTQLQIEISA-N 1 2 232.283 2.364 10 0 BEAELO Cc1nnc(C[NH2+]Cc2ccc(C)cc2)s1 ZINC000134663707 591946002 /nfs/dbraw/zinc/94/60/02/591946002.db2.gz LHTHDGOSHWIWBB-UHFFFAOYSA-N 1 2 233.340 2.445 10 0 BEAELO C[C@@H]([NH2+][C@@H](C)c1ncc[nH]1)c1cncs1 ZINC000124701418 634431610 /nfs/dbraw/zinc/43/16/10/634431610.db2.gz DAYZDDCETZRHBC-SFYZADRCSA-N 1 2 222.317 2.278 10 0 BEAELO Cc1[nH]c(-c2ccc(N)cc2F)[nH+]c1C ZINC000043571257 631809278 /nfs/dbraw/zinc/80/92/78/631809278.db2.gz IKGMLBLKKDRLMH-UHFFFAOYSA-N 1 2 205.236 2.415 10 0 BEAELO CC[NH2+]Cc1noc([C@@H]2CCC[C@@H]2C)n1 ZINC000225427484 640692245 /nfs/dbraw/zinc/69/22/45/640692245.db2.gz ZPLOWDJDHGGJDM-DTWKUNHWSA-N 1 2 209.293 2.083 10 0 BEAELO CC[N@@H+]1CCC[C@H](N[C@@H]2CCc3cccnc32)C1 ZINC000226816082 640794009 /nfs/dbraw/zinc/79/40/09/640794009.db2.gz DJWZYRWAMKQSIS-UONOGXRCSA-N 1 2 245.370 2.143 10 0 BEAELO CC[N@H+]1CCC[C@H](N[C@@H]2CCc3cccnc32)C1 ZINC000226816082 640794010 /nfs/dbraw/zinc/79/40/10/640794010.db2.gz DJWZYRWAMKQSIS-UONOGXRCSA-N 1 2 245.370 2.143 10 0 BEAELO Cc1[nH+]cn(-c2ncc(C=O)cc2C)c1C ZINC000087718043 640990550 /nfs/dbraw/zinc/99/05/50/640990550.db2.gz RTVMVSIHQLZBSY-UHFFFAOYSA-N 1 2 215.256 2.005 10 0 BEAELO C[C@@H](C(N)=O)[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062017017 641014120 /nfs/dbraw/zinc/01/41/20/641014120.db2.gz RPZZWJVCZBTIPE-IUCAKERBSA-N 1 2 240.734 2.207 10 0 BEAELO C[C@@H](C(N)=O)[N@@H+](C)[C@@H](C)c1ccccc1Cl ZINC000062017017 641014123 /nfs/dbraw/zinc/01/41/23/641014123.db2.gz RPZZWJVCZBTIPE-IUCAKERBSA-N 1 2 240.734 2.207 10 0 BEAELO CCCNc1cc(N[C@H]2C[C@@H]2C)nc[nH+]1 ZINC000087827523 641060129 /nfs/dbraw/zinc/06/01/29/641060129.db2.gz GCXUXSUJNJOVHU-IUCAKERBSA-N 1 2 206.293 2.119 10 0 BEAELO CCCNc1cc(N[C@H]2C[C@@H]2C)[nH+]cn1 ZINC000087827523 641060133 /nfs/dbraw/zinc/06/01/33/641060133.db2.gz GCXUXSUJNJOVHU-IUCAKERBSA-N 1 2 206.293 2.119 10 0 BEAELO CCOC(C[NH2+][C@H](C)c1ncc(C)o1)OCC ZINC000231785881 641204170 /nfs/dbraw/zinc/20/41/70/641204170.db2.gz SVMZOKSXWGVMFS-SNVBAGLBSA-N 1 2 242.319 2.033 10 0 BEAELO COC[C@@H]([NH3+])c1nc(C2CCC(C)CC2)no1 ZINC000159339965 641676414 /nfs/dbraw/zinc/67/64/14/641676414.db2.gz XODZZHVUADOAHL-UDNWOFFPSA-N 1 2 239.319 2.010 10 0 BEAELO c1csc(C[NH2+][C@H]2COc3ccccc32)n1 ZINC000069606621 642882425 /nfs/dbraw/zinc/88/24/25/642882425.db2.gz SMAPNEKITWBUEE-JTQLQIEISA-N 1 2 232.308 2.366 10 0 BEAELO C[C@H]1CC[C@H](O)C[N@@H+]1Cc1cnc(Cl)s1 ZINC000307210190 643422663 /nfs/dbraw/zinc/42/26/63/643422663.db2.gz MAWRGUBGAOIUGJ-YUMQZZPRSA-N 1 2 246.763 2.142 10 0 BEAELO C[C@H]1CC[C@H](O)C[N@H+]1Cc1cnc(Cl)s1 ZINC000307210190 643422665 /nfs/dbraw/zinc/42/26/65/643422665.db2.gz MAWRGUBGAOIUGJ-YUMQZZPRSA-N 1 2 246.763 2.142 10 0 BEAELO CC[NH2+]Cc1noc([C@H]2[C@@H]3CCCC[C@@H]32)n1 ZINC000250166966 644748395 /nfs/dbraw/zinc/74/83/95/644748395.db2.gz HSXCOXPEDKIINU-JZYVYDRUSA-N 1 2 221.304 2.083 10 0 BEAELO Cc1cnc(C[NH2+][C@H]2CCn3ccnc32)c(C)c1 ZINC000724049346 711557823 /nfs/dbraw/zinc/55/78/23/711557823.db2.gz RLWWEARLWBKSIO-LBPRGKRZSA-N 1 2 242.326 2.130 10 0 BEAELO Cc1ncc(C[NH2+]Cc2ncc(C)cc2C)o1 ZINC000724095354 711560406 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/nfs/dbraw/zinc/10/72/41/178107241.db2.gz HRHCTZKWWPUHPD-CHWSQXEVSA-N 1 2 220.316 2.293 10 0 BEAELO Cc1cc([NH2+]C(C)C)ccc1NS(C)(=O)=O ZINC000037129677 178153829 /nfs/dbraw/zinc/15/38/29/178153829.db2.gz SOLJCWCYVGYUGQ-UHFFFAOYSA-N 1 2 242.344 2.187 10 0 BEAELO Cc1cc([NH2+]C[C@@H]2CCCO2)ccc1N ZINC000035277820 178166944 /nfs/dbraw/zinc/16/69/44/178166944.db2.gz UTPJXUKIEOPLIN-NSHDSACASA-N 1 2 206.289 2.168 10 0 BEAELO Cc1cc(N[C@@H]2C[C@@H]2C)nc(C2CC2)[nH+]1 ZINC000265322603 178184010 /nfs/dbraw/zinc/18/40/10/178184010.db2.gz FGAZIWYHKHIWIX-OIBJUYFYSA-N 1 2 203.289 2.483 10 0 BEAELO CC(=O)CSCc1[nH+]ccn1C(C)C ZINC000176740352 343988295 /nfs/dbraw/zinc/98/82/95/343988295.db2.gz SBDOHMUMGBKAHP-UHFFFAOYSA-N 1 2 212.318 2.286 10 0 BEAELO Cc1ccc(-c2nc(C[NH2+]C3CC3)no2)c(C)n1 ZINC000055331722 178336153 /nfs/dbraw/zinc/33/61/53/178336153.db2.gz BCNOJARIJQHXLY-UHFFFAOYSA-N 1 2 244.298 2.000 10 0 BEAELO Cc1ccc(-n2cc[nH+]c2)cc1[C@H](C)O ZINC000039105157 178347338 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/nfs/dbraw/zinc/78/68/32/342786832.db2.gz AQOMBFSBXXIXOI-UHFFFAOYSA-N 1 2 224.214 2.300 10 0 BEAELO CCC[N@@H+]1CCc2nc(C(C)=O)sc2C1 ZINC000071026762 361931505 /nfs/dbraw/zinc/93/15/05/361931505.db2.gz SVPPHYNXXUSAQV-UHFFFAOYSA-N 1 2 224.329 2.114 10 0 BEAELO CCC[N@H+]1CCc2nc(C(C)=O)sc2C1 ZINC000071026762 361931511 /nfs/dbraw/zinc/93/15/11/361931511.db2.gz SVPPHYNXXUSAQV-UHFFFAOYSA-N 1 2 224.329 2.114 10 0 BEAELO CCn1nccc1[C@@H]1[NH2+]CC[C@@H](C)S1 ZINC000164944020 342860462 /nfs/dbraw/zinc/86/04/62/342860462.db2.gz QPQHPDOYTUMLPT-PSASIEDQSA-N 1 2 211.334 2.017 10 0 BEAELO CC[C@H](C)Nc1nc[nH+]c(N)c1Br ZINC000234000092 342924371 /nfs/dbraw/zinc/92/43/71/342924371.db2.gz DPRNNSJYSSTUSK-YFKPBYRVSA-N 1 2 245.124 2.032 10 0 BEAELO CC[C@H](C)Nc1[nH+]cnc(N)c1Br ZINC000234000092 342924372 /nfs/dbraw/zinc/92/43/72/342924372.db2.gz DPRNNSJYSSTUSK-YFKPBYRVSA-N 1 2 245.124 2.032 10 0 BEAELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2Cl)[NH2+]1 ZINC000117841132 343018797 /nfs/dbraw/zinc/01/87/97/343018797.db2.gz FJGSPUSDFJFLDO-QWRGUYRKSA-N 1 2 239.702 2.306 10 0 BEAELO Nc1ccc(-c2c(F)cccc2C=O)c[nH+]1 ZINC000584880906 343081707 /nfs/dbraw/zinc/08/17/07/343081707.db2.gz RFZKMYSKMXYOFF-UHFFFAOYSA-N 1 2 216.215 2.113 10 0 BEAELO CCNc1c(N)c[nH+]c2c(OC)cccc12 ZINC000584882912 343085587 /nfs/dbraw/zinc/08/55/87/343085587.db2.gz ZZVVPGRHDPAAFY-UHFFFAOYSA-N 1 2 217.272 2.257 10 0 BEAELO CNc1c(N)c[nH+]c2c(Cl)ccc(F)c12 ZINC000584882866 343085601 /nfs/dbraw/zinc/08/56/01/343085601.db2.gz XMVPQZXBVIMKRP-UHFFFAOYSA-N 1 2 225.654 2.073 10 0 BEAELO CCCN(CC)c1ccc([C@H](C)O)c[nH+]1 ZINC000124904673 343075659 /nfs/dbraw/zinc/07/56/59/343075659.db2.gz LUZXWXOSXRRDSS-JTQLQIEISA-N 1 2 208.305 2.371 10 0 BEAELO Cc1cn(CCc2ccccc2N)c[nH+]1 ZINC000039118771 343385461 /nfs/dbraw/zinc/38/54/61/343385461.db2.gz FUIOUEHNAKUQPR-UHFFFAOYSA-N 1 2 201.273 2.016 10 0 BEAELO Cc1cn2cc(NC(=O)C3CCC3)ccc2[nH+]1 ZINC000041306220 343418965 /nfs/dbraw/zinc/41/89/65/343418965.db2.gz HGIJYPHPWASXFI-UHFFFAOYSA-N 1 2 229.283 2.381 10 0 BEAELO COc1ccccc1C[C@H](C)N[NH2+]C(C)C ZINC000019167755 343554201 /nfs/dbraw/zinc/55/42/01/343554201.db2.gz VUAADOXGOAKYDT-NSHDSACASA-N 1 2 222.332 2.129 10 0 BEAELO Cc1occc1C[N@@H+](C)[C@@H]1CCCC1=O ZINC000050154194 343609893 /nfs/dbraw/zinc/60/98/93/343609893.db2.gz MPBUSZFPTJNOLS-LLVKDONJSA-N 1 2 207.273 2.141 10 0 BEAELO Cc1occc1C[N@H+](C)[C@@H]1CCCC1=O ZINC000050154194 343609896 /nfs/dbraw/zinc/60/98/96/343609896.db2.gz MPBUSZFPTJNOLS-LLVKDONJSA-N 1 2 207.273 2.141 10 0 BEAELO CCc1csc([C@@H]2CSCC[N@@H+]2C)n1 ZINC000234198503 343647960 /nfs/dbraw/zinc/64/79/60/343647960.db2.gz WEXBRRBDGAEHAD-VIFPVBQESA-N 1 2 228.386 2.425 10 0 BEAELO CCc1csc([C@@H]2CSCC[N@H+]2C)n1 ZINC000234198503 343647962 /nfs/dbraw/zinc/64/79/62/343647962.db2.gz WEXBRRBDGAEHAD-VIFPVBQESA-N 1 2 228.386 2.425 10 0 BEAELO CC[C@@H]1Cc2cc(OC)c(OC)cc2C=[NH+]1 ZINC000261304813 349827810 /nfs/dbraw/zinc/82/78/10/349827810.db2.gz IBWTYWVRKRDLGX-LLVKDONJSA-N 1 2 219.284 2.457 10 0 BEAELO CC(=O)c1ccc(-c2[nH+]ccn2C)cc1 ZINC000069028031 537806481 /nfs/dbraw/zinc/80/64/81/537806481.db2.gz PPCHYTVEYVSXSE-UHFFFAOYSA-N 1 2 200.241 2.290 10 0 BEAELO Fc1cccc(F)c1[C@@H]1[NH2+]CCS1 ZINC000050522674 343781852 /nfs/dbraw/zinc/78/18/52/343781852.db2.gz YYTVPWITSVTLDA-SECBINFHSA-N 1 2 201.241 2.300 10 0 BEAELO COC(=[NH2+])c1cc(-c2ccccc2)nn1C ZINC000409443675 343862199 /nfs/dbraw/zinc/86/21/99/343862199.db2.gz RHPRDZOJWLDCRV-UHFFFAOYSA-N 1 2 215.256 2.059 10 0 BEAELO Cc1nc(N)cc(Cc2ccccc2Cl)[nH+]1 ZINC000575622310 343869146 /nfs/dbraw/zinc/86/91/46/343869146.db2.gz QIXQEEQWCFTMOM-UHFFFAOYSA-N 1 2 233.702 2.442 10 0 BEAELO CCC[C@@H]([NH2+]C1CSC1)C(=O)OC(C)(C)C ZINC000393741270 343921819 /nfs/dbraw/zinc/92/18/19/343921819.db2.gz HEWIMKYWGDJLHY-SNVBAGLBSA-N 1 2 245.388 2.202 10 0 BEAELO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ncn[nH]1)C1CCCCC1 ZINC000330268354 537847898 /nfs/dbraw/zinc/84/78/98/537847898.db2.gz RCVJWXRCFCWNFE-YUSALJHKSA-N 1 2 234.347 2.424 10 0 BEAELO CC[C@H]1CC[N@H+](Cc2nnc(Cl)s2)C1 ZINC000166113647 344741550 /nfs/dbraw/zinc/74/15/50/344741550.db2.gz GVDIPQSNBNQWEQ-ZETCQYMHSA-N 1 2 231.752 2.423 10 0 BEAELO CC[C@H]1CC[N@@H+](Cc2nnc(Cl)s2)C1 ZINC000166113647 344741554 /nfs/dbraw/zinc/74/15/54/344741554.db2.gz GVDIPQSNBNQWEQ-ZETCQYMHSA-N 1 2 231.752 2.423 10 0 BEAELO C[C@@H]1CSCC[N@@H+]1CC(=O)c1cccs1 ZINC000069761246 344745370 /nfs/dbraw/zinc/74/53/70/344745370.db2.gz QKLRHFQUNYMBJQ-SECBINFHSA-N 1 2 241.381 2.368 10 0 BEAELO C[C@@H]1CSCC[N@H+]1CC(=O)c1cccs1 ZINC000069761246 344745373 /nfs/dbraw/zinc/74/53/73/344745373.db2.gz QKLRHFQUNYMBJQ-SECBINFHSA-N 1 2 241.381 2.368 10 0 BEAELO Clc1ccncc1NCc1c[nH+]c[nH]1 ZINC000166635043 344948038 /nfs/dbraw/zinc/94/80/38/344948038.db2.gz UVOOKPGRFJUPDL-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO Clc1ccncc1NCc1c[nH]c[nH+]1 ZINC000166635043 344948041 /nfs/dbraw/zinc/94/80/41/344948041.db2.gz UVOOKPGRFJUPDL-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO [NH3+][C@H](CCO)c1cc(Cl)c(O)c(Cl)c1 ZINC000044234521 344987840 /nfs/dbraw/zinc/98/78/40/344987840.db2.gz LBMGRANYJCFECH-MRVPVSSYSA-N 1 2 236.098 2.081 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cnns2)o1 ZINC000289963991 178844815 /nfs/dbraw/zinc/84/48/15/178844815.db2.gz IUWKDFJQGMMEQY-MRVPVSSYSA-N 1 2 223.301 2.290 10 0 BEAELO Cc1nc2[nH]ccc2c(N[C@@H]2C[C@H]2C)[nH+]1 ZINC000080979039 345457548 /nfs/dbraw/zinc/45/75/48/345457548.db2.gz PCRXIIOXNSIBPN-HZGVNTEJSA-N 1 2 202.261 2.087 10 0 BEAELO Oc1ccc2c(c1)CC[C@H]2Cc1c[nH]c[nH+]1 ZINC000033979416 345814866 /nfs/dbraw/zinc/81/48/66/345814866.db2.gz VKGOZWQNMQSNNR-VIFPVBQESA-N 1 2 214.268 2.388 10 0 BEAELO Oc1ccc2c(c1)CC[C@H]2Cc1c[nH+]c[nH]1 ZINC000033979416 345814868 /nfs/dbraw/zinc/81/48/68/345814868.db2.gz VKGOZWQNMQSNNR-VIFPVBQESA-N 1 2 214.268 2.388 10 0 BEAELO CC(=O)[C@@H](Cc1ccccc1)n1cc[nH+]c1 ZINC000034116700 345817246 /nfs/dbraw/zinc/81/72/46/345817246.db2.gz NZEZRHVNSMOLDU-CYBMUJFWSA-N 1 2 214.268 2.256 10 0 BEAELO CCOC(=O)C[NH2+]CC(C)(C)c1cccc(C)c1 ZINC000034485858 345835798 /nfs/dbraw/zinc/83/57/98/345835798.db2.gz GIDCUCUYDLBGSZ-UHFFFAOYSA-N 1 2 249.354 2.425 10 0 BEAELO CC[N@@H+]1CCc2c3ccccc3[nH]c2[C@@H]1CO ZINC000095890856 346076927 /nfs/dbraw/zinc/07/69/27/346076927.db2.gz QVFPTENMBQXQMK-ZDUSSCGKSA-N 1 2 230.311 2.079 10 0 BEAELO CC[N@H+]1CCc2c3ccccc3[nH]c2[C@@H]1CO ZINC000095890856 346076928 /nfs/dbraw/zinc/07/69/28/346076928.db2.gz QVFPTENMBQXQMK-ZDUSSCGKSA-N 1 2 230.311 2.079 10 0 BEAELO C[C@@H](c1ccncc1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693731 488314305 /nfs/dbraw/zinc/31/43/05/488314305.db2.gz SOUQNDSSMUNRBD-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H](c1ccncc1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693731 488314306 /nfs/dbraw/zinc/31/43/06/488314306.db2.gz SOUQNDSSMUNRBD-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO Cc1cccc(C[NH2+]Cc2ncccn2)c1 ZINC000054459284 179095079 /nfs/dbraw/zinc/09/50/79/179095079.db2.gz RGHAJRVTYSKFNN-UHFFFAOYSA-N 1 2 213.284 2.075 10 0 BEAELO [NH3+][C@@H](c1ccc(Cl)s1)c1cnns1 ZINC000164718054 346619812 /nfs/dbraw/zinc/61/98/12/346619812.db2.gz VDVOYPIIVVWJJK-ZETCQYMHSA-N 1 2 231.733 2.301 10 0 BEAELO [NH3+][C@@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164716137 346619505 /nfs/dbraw/zinc/61/95/05/346619505.db2.gz NMJTZZMOKLWKEV-ZETCQYMHSA-N 1 2 231.733 2.301 10 0 BEAELO [NH3+][C@H](c1ccc(Cl)s1)c1cnns1 ZINC000164718180 346619592 /nfs/dbraw/zinc/61/95/92/346619592.db2.gz VDVOYPIIVVWJJK-SSDOTTSWSA-N 1 2 231.733 2.301 10 0 BEAELO COc1ccc(-c2c[nH+]cc(N)c2C)cc1C=O ZINC000725242614 537985373 /nfs/dbraw/zinc/98/53/73/537985373.db2.gz MMGLKMOUGPHRFJ-UHFFFAOYSA-N 1 2 242.278 2.460 10 0 BEAELO Cc1cccc2sc([C@@H]3COCC[NH2+]3)nc21 ZINC000083113502 179234658 /nfs/dbraw/zinc/23/46/58/179234658.db2.gz RYRDYRVOKVNEPW-VIFPVBQESA-N 1 2 234.324 2.266 10 0 BEAELO Cc1nc([C@@H]([NH3+])c2ccccc2Cl)no1 ZINC000036762507 180039808 /nfs/dbraw/zinc/03/98/08/180039808.db2.gz IASYEQKQJYJFCR-VIFPVBQESA-N 1 2 223.663 2.080 10 0 BEAELO Cc1cc([C@@H]([NH3+])c2noc(C)n2)c(C)s1 ZINC000049687979 180053245 /nfs/dbraw/zinc/05/32/45/180053245.db2.gz XZKLMHCLOAJTBW-SECBINFHSA-N 1 2 223.301 2.104 10 0 BEAELO Cc1[nH+]c2cc(C(F)(F)F)ccc2n1CCO ZINC000040400862 180078074 /nfs/dbraw/zinc/07/80/74/180078074.db2.gz CUFASDIWBUULIN-UHFFFAOYSA-N 1 2 244.216 2.356 10 0 BEAELO Cc1[nH+]c2ccc(Cl)cc2n1C[C@@H](C)O ZINC000005116460 180091670 /nfs/dbraw/zinc/09/16/70/180091670.db2.gz BRCANRFFTFNXPU-SSDOTTSWSA-N 1 2 224.691 2.379 10 0 BEAELO Cc1nc2ccc(N(O)C=[NH2+])cc2s1 ZINC000045236136 180093411 /nfs/dbraw/zinc/09/34/11/180093411.db2.gz QKMDFLJYOXCBGY-UHFFFAOYSA-N 1 2 207.258 2.407 10 0 BEAELO Cc1nc2ccccc2nc1-n1cc[nH+]c1 ZINC000070163327 180104339 /nfs/dbraw/zinc/10/43/39/180104339.db2.gz BWYSSCLYVBJEPA-UHFFFAOYSA-N 1 2 210.240 2.124 10 0 BEAELO Cc1[nH+]c2sc3c(n2c1N)CCCC3 ZINC000036290555 180116827 /nfs/dbraw/zinc/11/68/27/180116827.db2.gz QCGGPTJVQQKYKD-UHFFFAOYSA-N 1 2 207.302 2.165 10 0 BEAELO Cc1nc(N)c(-c2ccccc2F)c[nH+]1 ZINC000026465864 180122470 /nfs/dbraw/zinc/12/24/70/180122470.db2.gz LIAFQWDIDFOJGU-UHFFFAOYSA-N 1 2 203.220 2.173 10 0 BEAELO Cc1ncc(C[NH2+]Cc2nc(C)c(C)o2)s1 ZINC000040997952 180154418 /nfs/dbraw/zinc/15/44/18/180154418.db2.gz PVHLRZRGPJWOPM-UHFFFAOYSA-N 1 2 237.328 2.346 10 0 BEAELO Cc1nccc(C[NH2+][C@@H](C)c2ccco2)n1 ZINC000038037406 180191671 /nfs/dbraw/zinc/19/16/71/180191671.db2.gz BTIKSRAAVJXPJZ-VIFPVBQESA-N 1 2 217.272 2.229 10 0 BEAELO Cc1[nH+]c(NC(=O)C(C)C)c(C)c(C)c1O ZINC000221279273 350203985 /nfs/dbraw/zinc/20/39/85/350203985.db2.gz ZBDOHBRNKYVQRD-UHFFFAOYSA-N 1 2 222.288 2.307 10 0 BEAELO CCc1cc(N[C@@H](C)[C@@H]2CCCO2)nc[nH+]1 ZINC000040765113 350394549 /nfs/dbraw/zinc/39/45/49/350394549.db2.gz VJLWXXVVJOQHQW-ONGXEEELSA-N 1 2 221.304 2.018 10 0 BEAELO C1CCC(O[NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000136932815 350636293 /nfs/dbraw/zinc/63/62/93/350636293.db2.gz JERCOKWPXXKFFQ-UHFFFAOYSA-N 1 2 241.331 2.136 10 0 BEAELO CC(C)(C)[N@@H+]1CCCOC[C@H]1C(F)F ZINC000616597387 350652242 /nfs/dbraw/zinc/65/22/42/350652242.db2.gz PWLHTBVXYWYIBS-QMMMGPOBSA-N 1 2 207.264 2.141 10 0 BEAELO CC(C)(C)[N@H+]1CCCOC[C@H]1C(F)F ZINC000616597387 350652245 /nfs/dbraw/zinc/65/22/45/350652245.db2.gz PWLHTBVXYWYIBS-QMMMGPOBSA-N 1 2 207.264 2.141 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1nccc2ccccc21 ZINC000616600362 350778988 /nfs/dbraw/zinc/77/89/88/350778988.db2.gz FSDYGWGDNJOGMQ-CYBMUJFWSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1nccc2ccccc21 ZINC000616600362 350778993 /nfs/dbraw/zinc/77/89/93/350778993.db2.gz FSDYGWGDNJOGMQ-CYBMUJFWSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@@H+]1CCOC[C@@H]1c1cncc2ccccc21 ZINC000616600688 350779166 /nfs/dbraw/zinc/77/91/66/350779166.db2.gz HQGQWMIQHIEPER-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@@H]1c1cncc2ccccc21 ZINC000616600688 350779170 /nfs/dbraw/zinc/77/91/70/350779170.db2.gz HQGQWMIQHIEPER-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@@H+]1CCO[C@@H](c2cncc3ccccc32)C1 ZINC000616603364 350789252 /nfs/dbraw/zinc/78/92/52/350789252.db2.gz NFANQUFBQKQBOD-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCO[C@@H](c2cncc3ccccc32)C1 ZINC000616603364 350789254 /nfs/dbraw/zinc/78/92/54/350789254.db2.gz NFANQUFBQKQBOD-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[C@@H](NC1=[NH+]C[C@H](C)S1)C(F)(F)F ZINC000306746356 350934486 /nfs/dbraw/zinc/93/44/86/350934486.db2.gz IVHKGSVXYZQHKS-CRCLSJGQSA-N 1 2 212.240 2.018 10 0 BEAELO Cc1csc([C@H]2[NH2+]C[C@H](C)CS2)n1 ZINC000159622019 350955812 /nfs/dbraw/zinc/95/58/12/350955812.db2.gz VMIMEBGSCXAOSD-XPUUQOCRSA-N 1 2 214.359 2.423 10 0 BEAELO CCOC(=O)N1CCCC[C@H](n2cc[nH+]c2)C1 ZINC000616630361 351102449 /nfs/dbraw/zinc/10/24/49/351102449.db2.gz VXVUZFVZNSZOLC-NSHDSACASA-N 1 2 237.303 2.067 10 0 BEAELO CC(=O)N1CCCCC[C@H]1c1ccc[nH+]c1N ZINC000616622422 351086151 /nfs/dbraw/zinc/08/61/51/351086151.db2.gz CZWFFEDGOWAPJH-LBPRGKRZSA-N 1 2 233.315 2.127 10 0 BEAELO CCOC(=O)N1CCC[C@@H](c2c[nH+]c[nH]2)CC1 ZINC000616627361 351094506 /nfs/dbraw/zinc/09/45/06/351094506.db2.gz KFQNCQYFZHQWBT-SNVBAGLBSA-N 1 2 237.303 2.136 10 0 BEAELO CCOC(=O)N1CCC[C@@H](c2c[nH]c[nH+]2)CC1 ZINC000616627361 351094509 /nfs/dbraw/zinc/09/45/09/351094509.db2.gz KFQNCQYFZHQWBT-SNVBAGLBSA-N 1 2 237.303 2.136 10 0 BEAELO C[N@@H+]1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616677546 351244612 /nfs/dbraw/zinc/24/46/12/351244612.db2.gz SHXMQHCBOGNTPD-CYBMUJFWSA-N 1 2 214.268 2.252 10 0 BEAELO C[N@H+]1CCc2ccccc2[C@@H]1c1cocn1 ZINC000616677546 351244615 /nfs/dbraw/zinc/24/46/15/351244615.db2.gz SHXMQHCBOGNTPD-CYBMUJFWSA-N 1 2 214.268 2.252 10 0 BEAELO C[C@H]1C[NH2+][C@@H](c2ccns2)SC1 ZINC000404443419 351459166 /nfs/dbraw/zinc/45/91/66/351459166.db2.gz LXZRRYZTSKPJMK-POYBYMJQSA-N 1 2 200.332 2.114 10 0 BEAELO Cc1cc([C@@H]2[NH2+]CCCS2)sn1 ZINC000404455494 351459369 /nfs/dbraw/zinc/45/93/69/351459369.db2.gz VFJDPLZGWKBTNH-MRVPVSSYSA-N 1 2 200.332 2.177 10 0 BEAELO Clc1ncc2c(n1)[C@H]1CCCC[N@H+]1C2 ZINC000307170096 351544129 /nfs/dbraw/zinc/54/41/29/351544129.db2.gz ZWECRTITCGKLHL-MRVPVSSYSA-N 1 2 209.680 2.171 10 0 BEAELO Clc1ncc2c(n1)[C@H]1CCCC[N@@H+]1C2 ZINC000307170096 351544132 /nfs/dbraw/zinc/54/41/32/351544132.db2.gz ZWECRTITCGKLHL-MRVPVSSYSA-N 1 2 209.680 2.171 10 0 BEAELO Cc1c(N)c[nH+]cc1-c1cccc(O)c1 ZINC000725269430 538101587 /nfs/dbraw/zinc/10/15/87/538101587.db2.gz KZJKNZKAEIVUTR-UHFFFAOYSA-N 1 2 200.241 2.345 10 0 BEAELO N[NH2+][C@H](C1CC1)[C@@H]1CCCC(F)(F)C1 ZINC000300917181 363119416 /nfs/dbraw/zinc/11/94/16/363119416.db2.gz PIIHNLPDHRSGSC-RKDXNWHRSA-N 1 2 204.264 2.054 10 0 BEAELO Cc1cnc([C@@H]2[NH2+][C@@H](C)CS2)s1 ZINC000307595164 352665322 /nfs/dbraw/zinc/66/53/22/352665322.db2.gz JXGSQSNTMUNONR-YLWLKBPMSA-N 1 2 200.332 2.175 10 0 BEAELO BrC1=CCC[N@H+](Cc2ccc[nH]2)C1 ZINC000307509625 352628784 /nfs/dbraw/zinc/62/87/84/352628784.db2.gz KAFMNPRFPTVFRB-UHFFFAOYSA-N 1 2 241.132 2.499 10 0 BEAELO BrC1=CCC[N@@H+](Cc2ccc[nH]2)C1 ZINC000307509625 352628787 /nfs/dbraw/zinc/62/87/87/352628787.db2.gz KAFMNPRFPTVFRB-UHFFFAOYSA-N 1 2 241.132 2.499 10 0 BEAELO CCc1[nH+]ccn1-c1nncc2ccccc21 ZINC000104288439 187804832 /nfs/dbraw/zinc/80/48/32/187804832.db2.gz PWLJCBISEGRHIB-UHFFFAOYSA-N 1 2 224.267 2.378 10 0 BEAELO [NH2+]=C(NC1CC1)c1ccc(O)c(Cl)c1 ZINC000307649500 352741001 /nfs/dbraw/zinc/74/10/01/352741001.db2.gz IOTFOFBEAYMDIM-UHFFFAOYSA-N 1 2 210.664 2.123 10 0 BEAELO Brc1coc(CNc2c[nH]c[nH+]2)c1 ZINC000307683167 352861155 /nfs/dbraw/zinc/86/11/55/352861155.db2.gz TUZSDQXXPSQXIW-UHFFFAOYSA-N 1 2 242.076 2.377 10 0 BEAELO Nc1cccc(-c2csc(C=O)c2)[nH+]1 ZINC000238637019 538107120 /nfs/dbraw/zinc/10/71/20/538107120.db2.gz QCSDLYGUBIEJKD-UHFFFAOYSA-N 1 2 204.254 2.205 10 0 BEAELO Cc1csc([C@H]([NH3+])c2ncc(C)s2)n1 ZINC000306597722 353029250 /nfs/dbraw/zinc/02/92/50/353029250.db2.gz OTCZYYQQWGZGOQ-SSDOTTSWSA-N 1 2 225.342 2.265 10 0 BEAELO Cc1nc(-c2cc(C)c[nH+]c2N)cs1 ZINC000307726007 353113405 /nfs/dbraw/zinc/11/34/05/353113405.db2.gz CKRWPLHWKWIRAZ-UHFFFAOYSA-N 1 2 205.286 2.404 10 0 BEAELO CC(C)N(CCO)c1ccc2cc(N)ccc2[nH+]1 ZINC000042478905 188119214 /nfs/dbraw/zinc/11/92/14/188119214.db2.gz SNFGVPXQTFQZID-UHFFFAOYSA-N 1 2 245.326 2.024 10 0 BEAELO CC(C)=CC[N@@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182677326 188168695 /nfs/dbraw/zinc/16/86/95/188168695.db2.gz SXBFQBRPDLSKMK-NSHDSACASA-N 1 2 220.320 2.298 10 0 BEAELO CC(C)=CC[N@H+]1CCCC[C@H]1c1nnc[nH]1 ZINC000182677326 188168696 /nfs/dbraw/zinc/16/86/96/188168696.db2.gz SXBFQBRPDLSKMK-NSHDSACASA-N 1 2 220.320 2.298 10 0 BEAELO Nc1ccc(S[C@H]2CCSC2)c[nH+]1 ZINC000405368788 353272567 /nfs/dbraw/zinc/27/25/67/353272567.db2.gz XXTWTZSOWAMUGX-QMMMGPOBSA-N 1 2 212.343 2.092 10 0 BEAELO Brc1ccc([C@@H]2[NH2+]CCS2)nc1 ZINC000130050376 353339083 /nfs/dbraw/zinc/33/90/83/353339083.db2.gz YNXRBQUZQUXJEK-MRVPVSSYSA-N 1 2 245.145 2.179 10 0 BEAELO Fc1cccc(NCc2[nH]cc[nH+]2)c1F ZINC000049715632 181002303 /nfs/dbraw/zinc/00/23/03/181002303.db2.gz BPLCWDKZHYWRLW-UHFFFAOYSA-N 1 2 209.199 2.300 10 0 BEAELO COc1ncccc1-c1c[nH+]cc(N)c1C ZINC000675072515 538503252 /nfs/dbraw/zinc/50/32/52/538503252.db2.gz DLBGWBUIEJHYMD-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO C[C@@H](O)CCc1[nH]c2ccc(F)cc2[nH+]1 ZINC000026462101 357136142 /nfs/dbraw/zinc/13/61/42/357136142.db2.gz WTQPTKOSFPCKIH-SSDOTTSWSA-N 1 2 208.236 2.015 10 0 BEAELO CCn1cc[nH+]c1CN[C@H](C)c1ncc(C)o1 ZINC000230644589 357543437 /nfs/dbraw/zinc/54/34/37/357543437.db2.gz HYOBVCSPIRGQRN-SNVBAGLBSA-N 1 2 234.303 2.050 10 0 BEAELO CCn1cc[nH+]c1CN[C@@H](C)c1ncc(C)o1 ZINC000230644581 357543538 /nfs/dbraw/zinc/54/35/38/357543538.db2.gz HYOBVCSPIRGQRN-JTQLQIEISA-N 1 2 234.303 2.050 10 0 BEAELO CCn1nccc1C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231530837 357609354 /nfs/dbraw/zinc/60/93/54/357609354.db2.gz HYXXQLSSQOOQNW-JTQLQIEISA-N 1 2 234.303 2.050 10 0 BEAELO Cc1cccc([C@@H]([NH3+])C(=O)OC(C)(C)C)c1 ZINC000685939414 538886108 /nfs/dbraw/zinc/88/61/08/538886108.db2.gz XFZIGNDYHHYZAQ-LLVKDONJSA-N 1 2 221.300 2.337 10 0 BEAELO Cc1ccc(C(=O)Cc2[nH+]ccn2C)s1 ZINC000160845047 358963033 /nfs/dbraw/zinc/96/30/33/358963033.db2.gz LMHWJCIDNSXRFS-UHFFFAOYSA-N 1 2 220.297 2.215 10 0 BEAELO CN(C)c1ccccc1NCc1[nH+]ccn1C ZINC000060392868 358924918 /nfs/dbraw/zinc/92/49/18/358924918.db2.gz GKNVEYFVDWSVFQ-UHFFFAOYSA-N 1 2 230.315 2.098 10 0 BEAELO [NH3+][C@H](c1cscn1)c1ccc(Cl)o1 ZINC000306283683 359516841 /nfs/dbraw/zinc/51/68/41/359516841.db2.gz CITFJXKEVJSFBW-MRVPVSSYSA-N 1 2 214.677 2.438 10 0 BEAELO Cc1ccc(N[C@H](C)CCCCO)c[nH+]1 ZINC000309005409 491142202 /nfs/dbraw/zinc/14/22/02/491142202.db2.gz PQHQPZUGBCGRAQ-LLVKDONJSA-N 1 2 208.305 2.353 10 0 BEAELO CCc1cnc([C@@H]2[NH2+][C@H](C)CS2)s1 ZINC000306596542 360518203 /nfs/dbraw/zinc/51/82/03/360518203.db2.gz MPKYVTJGEJXCGH-HZGVNTEJSA-N 1 2 214.359 2.429 10 0 BEAELO CC(C)c1nc(N[C@@H]2CCO[C@H]2C)cc[nH+]1 ZINC000153224634 360765196 /nfs/dbraw/zinc/76/51/96/360765196.db2.gz OQKQDSBBAOTJGI-VHSXEESVSA-N 1 2 221.304 2.189 10 0 BEAELO NC(=S)c1cc[nH+]c(NC2CCCC2)c1 ZINC000019434514 181322085 /nfs/dbraw/zinc/32/20/85/181322085.db2.gz VVWXYQKYBOVRSN-UHFFFAOYSA-N 1 2 221.329 2.070 10 0 BEAELO Oc1ccc[nH+]c1NCc1cccs1 ZINC000214883951 363874219 /nfs/dbraw/zinc/87/42/19/363874219.db2.gz ZJJLVKVWTSJRBW-UHFFFAOYSA-N 1 2 206.270 2.461 10 0 BEAELO CCC(C)(C)[C@H]1Nc2ccc([NH3+])cc2C[C@H]1O ZINC000725268688 541338019 /nfs/dbraw/zinc/33/80/19/541338019.db2.gz YIXJRVSOJXBPBZ-OLZOCXBDSA-N 1 2 234.343 2.403 10 0 BEAELO COc1cc[nH+]c(C)c1Br ZINC000214934321 364322896 /nfs/dbraw/zinc/32/28/96/364322896.db2.gz ZJTLPLSBZUIULV-UHFFFAOYSA-N 1 2 202.051 2.161 10 0 BEAELO [NH3+]CC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000037712277 181398010 /nfs/dbraw/zinc/39/80/10/181398010.db2.gz XLTUBFXONWSWHC-UHFFFAOYSA-N 1 2 226.323 2.402 10 0 BEAELO [NH2+]=C(NO)c1ccsc1C(F)(F)F ZINC000584880283 368858459 /nfs/dbraw/zinc/85/84/59/368858459.db2.gz WLRPHGBVBBKAHI-UHFFFAOYSA-N 1 2 210.180 2.071 10 0 BEAELO CN1CC=C(c2[nH]cc[nH+]2)c2ccccc21 ZINC000114549195 368943617 /nfs/dbraw/zinc/94/36/17/368943617.db2.gz WKNFKUGXAUOXMZ-UHFFFAOYSA-N 1 2 211.268 2.291 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1cncc2ccccc21 ZINC000616600686 369100715 /nfs/dbraw/zinc/10/07/15/369100715.db2.gz HQGQWMIQHIEPER-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1cncc2ccccc21 ZINC000616600686 369100719 /nfs/dbraw/zinc/10/07/19/369100719.db2.gz HQGQWMIQHIEPER-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO C[NH2+][C@@H](c1nccs1)c1nc(C)cs1 ZINC000161503567 369187131 /nfs/dbraw/zinc/18/71/31/369187131.db2.gz BNMKPCIAQOWAOT-ZETCQYMHSA-N 1 2 225.342 2.217 10 0 BEAELO Cc1nc([C@H](C)[NH2+]Cc2nccnc2C)cs1 ZINC000621334610 370268179 /nfs/dbraw/zinc/26/81/79/370268179.db2.gz MCLGFJKSJBUYOP-VIFPVBQESA-N 1 2 248.355 2.401 10 0 BEAELO Cc1nc(C[NH2+]Cc2nc(C)ccc2O)cs1 ZINC000112716722 370348106 /nfs/dbraw/zinc/34/81/06/370348106.db2.gz XJZLJVPDAPSVLM-UHFFFAOYSA-N 1 2 249.339 2.150 10 0 BEAELO C[C@H]1CCS[C@@H](c2cncs2)[NH2+]1 ZINC000161611746 370603061 /nfs/dbraw/zinc/60/30/61/370603061.db2.gz JVFUESDXKXMOIN-XPUUQOCRSA-N 1 2 200.332 2.257 10 0 BEAELO C[C@H]1CC[NH2+][C@@H](c2cncs2)S1 ZINC000161613804 370604551 /nfs/dbraw/zinc/60/45/51/370604551.db2.gz OEFJLVYJDDFLFL-POYBYMJQSA-N 1 2 200.332 2.257 10 0 BEAELO Nc1nc(Nc2cccc(Cl)c2)cc[nH+]1 ZINC000003633590 181799663 /nfs/dbraw/zinc/79/96/63/181799663.db2.gz DEXXTSDSAGXBAR-UHFFFAOYSA-N 1 2 220.663 2.456 10 0 BEAELO COc1cccc([C@H]([NH3+])C(F)F)c1F ZINC000226551155 371697025 /nfs/dbraw/zinc/69/70/25/371697025.db2.gz BYTGKLZWRBSGRD-QMMMGPOBSA-N 1 2 205.179 2.099 10 0 BEAELO COc1cc(NCC(F)(F)F)cc[nH+]1 ZINC000133164079 371998592 /nfs/dbraw/zinc/99/85/92/371998592.db2.gz IILVDJUPAUOCLP-UHFFFAOYSA-N 1 2 206.167 2.064 10 0 BEAELO C[C@H](O)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000218019191 372046881 /nfs/dbraw/zinc/04/68/81/372046881.db2.gz FWLKHAHFNIUSOX-KZSPTFSBSA-N 1 2 238.158 2.398 10 0 BEAELO C[C@@H](O)C1CC[NH+](C/C(Cl)=C/Cl)CC1 ZINC000218019091 372047709 /nfs/dbraw/zinc/04/77/09/372047709.db2.gz FWLKHAHFNIUSOX-NDVARNPJSA-N 1 2 238.158 2.398 10 0 BEAELO O=C(Cn1cc[nH+]c1)c1cc(Cl)ccc1O ZINC000039348463 182071031 /nfs/dbraw/zinc/07/10/31/182071031.db2.gz XBGOJDYCSPCOPX-UHFFFAOYSA-N 1 2 236.658 2.125 10 0 BEAELO CC(=O)c1ccccc1-c1[nH+]ccn1C ZINC000069028029 373107938 /nfs/dbraw/zinc/10/79/38/373107938.db2.gz XKROJWARQSYOGH-UHFFFAOYSA-N 1 2 200.241 2.290 10 0 BEAELO O=C(c1c[nH]c2ccccc21)[C@H]1[NH2+]CCS1 ZINC000043157581 182647362 /nfs/dbraw/zinc/64/73/62/182647362.db2.gz SURDVZOOMUUFOX-LBPRGKRZSA-N 1 2 232.308 2.013 10 0 BEAELO O=C1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000019442384 182740651 /nfs/dbraw/zinc/74/06/51/182740651.db2.gz QMJNAXWNLFYXCR-QPJJXVBHSA-N 1 2 215.296 2.365 10 0 BEAELO O=C1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000021994617 182846006 /nfs/dbraw/zinc/84/60/06/182846006.db2.gz GQRADTVKEIYYAK-GFCCVEGCSA-N 1 2 212.252 2.253 10 0 BEAELO OC1(C2CC2)C[NH+](Cc2ccc(Cl)s2)C1 ZINC000084376957 183015563 /nfs/dbraw/zinc/01/55/63/183015563.db2.gz BJNSZKXZRMDSIM-UHFFFAOYSA-N 1 2 243.759 2.358 10 0 BEAELO OC1(c2c[nH+]c3ccccn32)CCCCC1 ZINC000089200964 183023612 /nfs/dbraw/zinc/02/36/12/183023612.db2.gz FMTAJDSEZVESFA-UHFFFAOYSA-N 1 2 216.284 2.486 10 0 BEAELO OC[C@@H]1CCCCC[C@@H]1Nc1cccc[nH+]1 ZINC000301794386 183116521 /nfs/dbraw/zinc/11/65/21/183116521.db2.gz SOACWKKFDJCGNJ-RYUDHWBXSA-N 1 2 220.316 2.435 10 0 BEAELO O[C@H](Cn1cc[nH+]c1)c1ccccc1Cl ZINC000039280667 183228752 /nfs/dbraw/zinc/22/87/52/183228752.db2.gz OBLBFDFNHBICDK-LLVKDONJSA-N 1 2 222.675 2.270 10 0 BEAELO CCCN(CC(F)(F)F)c1ccc(CO)c[nH+]1 ZINC000042779281 169107645 /nfs/dbraw/zinc/10/76/45/169107645.db2.gz KIUYSUNWEBRHCU-UHFFFAOYSA-N 1 2 248.248 2.353 10 0 BEAELO Oc1ccc2c(c1)[C@H](Cc1c[nH]c[nH+]1)CC2 ZINC000000006860 183281722 /nfs/dbraw/zinc/28/17/22/183281722.db2.gz VTZPAJGVRWKMAG-JTQLQIEISA-N 1 2 214.268 2.388 10 0 investigational BEAELO Oc1ccc2c(c1)[C@H](Cc1c[nH+]c[nH]1)CC2 ZINC000000006860 183281725 /nfs/dbraw/zinc/28/17/25/183281725.db2.gz VTZPAJGVRWKMAG-JTQLQIEISA-N 1 2 214.268 2.388 10 0 investigational BEAELO CCCNC(=O)CNc1ccc2ccccc2[nH+]1 ZINC000035133838 169230544 /nfs/dbraw/zinc/23/05/44/169230544.db2.gz KOBGPYVAPYSREX-UHFFFAOYSA-N 1 2 243.310 2.173 10 0 BEAELO CCC[NH2+][C@H](C(N)=O)c1c(F)cccc1Cl ZINC000037870234 169284904 /nfs/dbraw/zinc/28/49/04/169284904.db2.gz QOTZESSERGDBCZ-JTQLQIEISA-N 1 2 244.697 2.005 10 0 BEAELO c1cn(C(c2ccccc2)n2cc[nH+]c2)cn1 ZINC000028766384 183388122 /nfs/dbraw/zinc/38/81/22/183388122.db2.gz CFUFQYGMVSPEFM-UHFFFAOYSA-N 1 2 224.267 2.175 10 0 BEAELO CCC[NH2+][C@@H](CCc1ccccc1)C(=O)OC ZINC000061625435 169278869 /nfs/dbraw/zinc/27/88/69/169278869.db2.gz BGEDKKZLNBYXSQ-ZDUSSCGKSA-N 1 2 235.327 2.160 10 0 BEAELO c1sc(C2CCCC2)nc1[C@@H]1COCC[NH2+]1 ZINC000083338372 183555066 /nfs/dbraw/zinc/55/50/66/183555066.db2.gz PWACZRJWMZDILP-JTQLQIEISA-N 1 2 238.356 2.462 10 0 BEAELO C=Cc1[nH]c2cc(OC)c(OC)cc2[nH+]1 ZINC000000068686 383820847 /nfs/dbraw/zinc/82/08/47/383820847.db2.gz SJKZMXMVWSSBER-UHFFFAOYSA-N 1 2 204.229 2.223 10 0 BEAELO Cc1nc(N)cc(Cc2ccc(Cl)cc2)[nH+]1 ZINC000575622615 383877238 /nfs/dbraw/zinc/87/72/38/383877238.db2.gz XYRQGEMXVFBEFB-UHFFFAOYSA-N 1 2 233.702 2.442 10 0 BEAELO CC(C)C[C@@H](CO)Nc1cc[nH+]c(C2CC2)n1 ZINC000112558193 383931587 /nfs/dbraw/zinc/93/15/87/383931587.db2.gz OMMYUKOVTLRNLX-NSHDSACASA-N 1 2 235.331 2.173 10 0 BEAELO C[NH+](C)CC(=O)c1ccc(F)c2cc[nH]c21 ZINC000089204641 383947286 /nfs/dbraw/zinc/94/72/86/383947286.db2.gz DVPVXGFLXGRQGB-UHFFFAOYSA-N 1 2 220.247 2.051 10 0 BEAELO C[C@H]([NH2+]Cc1cnn[nH]1)c1cccc(Cl)c1 ZINC000296324370 384050683 /nfs/dbraw/zinc/05/06/83/384050683.db2.gz ORJMHYXCNBJJIZ-QMMMGPOBSA-N 1 2 236.706 2.309 10 0 BEAELO C[C@H]([NH2+]Cc1c[nH]nn1)c1cccc(Cl)c1 ZINC000296324370 384050690 /nfs/dbraw/zinc/05/06/90/384050690.db2.gz ORJMHYXCNBJJIZ-QMMMGPOBSA-N 1 2 236.706 2.309 10 0 BEAELO c1ccc([C@@H]2N[NH+]=C3CCCCCN32)cc1 ZINC000072416243 384111749 /nfs/dbraw/zinc/11/17/49/384111749.db2.gz ZGDOBVDFAKRZRF-CYBMUJFWSA-N 1 2 215.300 2.478 10 0 BEAELO C[C@@H]1C[C@@H]1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000075514468 384327160 /nfs/dbraw/zinc/32/71/60/384327160.db2.gz IUNJXJYEQYUWLB-MFKMUULPSA-N 1 2 241.294 2.011 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000121180584 384399944 /nfs/dbraw/zinc/39/99/44/384399944.db2.gz UCAUFXSSUZSSDB-GHMZBOCLSA-N 1 2 249.314 2.031 10 0 BEAELO Cn1cc([C@@H]2CCC[N@@H+]2Cc2nccs2)cn1 ZINC000135039656 384410412 /nfs/dbraw/zinc/41/04/12/384410412.db2.gz ACSJFFGUTIHZEH-NSHDSACASA-N 1 2 248.355 2.214 10 0 BEAELO Cn1cc([C@@H]2CCC[N@H+]2Cc2nccs2)cn1 ZINC000135039656 384410420 /nfs/dbraw/zinc/41/04/20/384410420.db2.gz ACSJFFGUTIHZEH-NSHDSACASA-N 1 2 248.355 2.214 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N[C@H](C)[C@@H]1CCCO1 ZINC000121332463 384412517 /nfs/dbraw/zinc/41/25/17/384412517.db2.gz FYWXCVUGEQKDGS-PWSUYJOCSA-N 1 2 249.314 2.079 10 0 BEAELO COC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)C[NH2+]1 ZINC000079026396 384478889 /nfs/dbraw/zinc/47/88/89/384478889.db2.gz BSHFSTHSBFHPAK-STQMWFEESA-N 1 2 233.311 2.004 10 0 BEAELO COC(=O)[C@H]1CC[C@@H](c2cccc(C)c2)C[NH2+]1 ZINC000079026385 384479323 /nfs/dbraw/zinc/47/93/23/384479323.db2.gz BSHFSTHSBFHPAK-CHWSQXEVSA-N 1 2 233.311 2.004 10 0 BEAELO CC(C)n1cc[nH+]c1CS[C@H](C)CO ZINC000172985688 384645313 /nfs/dbraw/zinc/64/53/13/384645313.db2.gz NOBUFEAWYMREKB-SECBINFHSA-N 1 2 214.334 2.078 10 0 BEAELO Cc1ccc([C@H](O)c2c[nH+]c3c(c2)CCN3)cc1 ZINC000144233128 384753163 /nfs/dbraw/zinc/75/31/63/384753163.db2.gz GSVRSNHGIUSRDR-AWEZNQCLSA-N 1 2 240.306 2.440 10 0 BEAELO CC(C)CCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177799940 384925161 /nfs/dbraw/zinc/92/51/61/384925161.db2.gz SZKRRUBKFORSNR-CYBMUJFWSA-N 1 2 249.358 2.310 10 0 BEAELO CO[C@@H]1CCC[C@@H](Nc2cc(C)[nH+]cn2)C1 ZINC000301761978 384933204 /nfs/dbraw/zinc/93/32/04/384933204.db2.gz GITLNZSHRLYLEF-GHMZBOCLSA-N 1 2 221.304 2.155 10 0 BEAELO CCn1cc[nH+]c1C[S@](=O)[C@H](C)C(C)C ZINC000177296168 384947290 /nfs/dbraw/zinc/94/72/90/384947290.db2.gz NDRAOQJHIPGCDA-BMIGLBTASA-N 1 2 228.361 2.196 10 0 BEAELO Cc1nc(C[NH2+][C@@H](C)c2cccs2)no1 ZINC000182542727 385458036 /nfs/dbraw/zinc/45/80/36/385458036.db2.gz JLCPSJJGVNXORE-ZETCQYMHSA-N 1 2 223.301 2.290 10 0 BEAELO CC(C)c1nc(N(C)C[C@H]2CCCO2)cc[nH+]1 ZINC000110491432 385493453 /nfs/dbraw/zinc/49/34/53/385493453.db2.gz HWDBLCIDRHZVQP-LLVKDONJSA-N 1 2 235.331 2.215 10 0 BEAELO CC(C)c1nc(N2CCC([C@H](C)O)CC2)cc[nH+]1 ZINC000110600066 385495216 /nfs/dbraw/zinc/49/52/16/385495216.db2.gz NMQXTUYSXQTGTD-NSHDSACASA-N 1 2 249.358 2.197 10 0 BEAELO CC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197704 385608424 /nfs/dbraw/zinc/60/84/24/385608424.db2.gz JLZYPWPULJMKOW-ZJUUUORDSA-N 1 2 238.335 2.083 10 0 BEAELO CC[C@@H](C)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197704 385608427 /nfs/dbraw/zinc/60/84/27/385608427.db2.gz JLZYPWPULJMKOW-ZJUUUORDSA-N 1 2 238.335 2.083 10 0 BEAELO FC(F)(F)c1c[nH+]c(NCc2cncs2)[nH]1 ZINC000284014970 385882158 /nfs/dbraw/zinc/88/21/58/385882158.db2.gz KKTSCRODVQWPQE-UHFFFAOYSA-N 1 2 248.233 2.497 10 0 BEAELO NNc1nc(-c2csc(Cl)c2)cc[nH+]1 ZINC000307361552 386171373 /nfs/dbraw/zinc/17/13/73/386171373.db2.gz HRIVAXCCBJLAMU-UHFFFAOYSA-N 1 2 226.692 2.144 10 0 BEAELO O=C1C[C@H](C2CC2)[N@H+](Cc2ccccc2)C1 ZINC000238854288 386537380 /nfs/dbraw/zinc/53/73/80/386537380.db2.gz NIJDOHIJSQTSJD-CQSZACIVSA-N 1 2 215.296 2.240 10 0 BEAELO O=C1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000238854288 386537383 /nfs/dbraw/zinc/53/73/83/386537383.db2.gz NIJDOHIJSQTSJD-CQSZACIVSA-N 1 2 215.296 2.240 10 0 BEAELO CC(C)(C)c1noc([C@H]2CC[NH2+]CC2(F)F)n1 ZINC000334817837 386945421 /nfs/dbraw/zinc/94/54/21/386945421.db2.gz KUUUMFDUIRURBO-SSDOTTSWSA-N 1 2 245.273 2.079 10 0 BEAELO CCCCC[C@@H](C)NC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000368486172 386978179 /nfs/dbraw/zinc/97/81/79/386978179.db2.gz MCIGLPQTWLTCQC-NXEZZACHSA-N 1 2 248.317 2.069 10 0 BEAELO C[C@H](CC(=O)NCc1[nH]cc[nH+]1)C(C)(C)C ZINC000070651570 387071632 /nfs/dbraw/zinc/07/16/32/387071632.db2.gz JNSSFFHTKNKAEW-SECBINFHSA-N 1 2 223.320 2.098 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)c1cccs1 ZINC000119791305 387147225 /nfs/dbraw/zinc/14/72/25/387147225.db2.gz RGJLJKAHBZYHDT-HNNXBMFYSA-N 1 2 240.353 2.272 10 0 BEAELO CC(C)[C@H](C)c1[nH+]c2n(c1CO)CCCC2 ZINC000536955251 387168255 /nfs/dbraw/zinc/16/82/55/387168255.db2.gz RGYQDGCXQLZXRZ-JTQLQIEISA-N 1 2 222.332 2.471 10 0 BEAELO c1ccc2[nH+]c(NC[C@@H]3COCCO3)ccc2c1 ZINC000038062148 387572554 /nfs/dbraw/zinc/57/25/54/387572554.db2.gz FIRUPPCEJQOTQM-GFCCVEGCSA-N 1 2 244.294 2.062 10 0 BEAELO CC[N@@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195373780 387913923 /nfs/dbraw/zinc/91/39/23/387913923.db2.gz UTWIDGSXWCWNIK-VIFPVBQESA-N 1 2 209.293 2.350 10 0 BEAELO CC[N@H+]1CCC[C@H]1c1noc(C(C)C)n1 ZINC000195373780 387913929 /nfs/dbraw/zinc/91/39/29/387913929.db2.gz UTWIDGSXWCWNIK-VIFPVBQESA-N 1 2 209.293 2.350 10 0 BEAELO COC[C@H]1CC[N@@H+]1C/C(Cl)=C/Cl ZINC000293574468 388390545 /nfs/dbraw/zinc/39/05/45/388390545.db2.gz NEGHWMYESZHJDC-RBMBQVQZSA-N 1 2 210.104 2.026 10 0 BEAELO COC[C@H]1CC[N@H+]1C/C(Cl)=C/Cl ZINC000293574468 388390548 /nfs/dbraw/zinc/39/05/48/388390548.db2.gz NEGHWMYESZHJDC-RBMBQVQZSA-N 1 2 210.104 2.026 10 0 BEAELO c1ncc(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)s1 ZINC000245512775 388421651 /nfs/dbraw/zinc/42/16/51/388421651.db2.gz AYVFNYFEQBZZET-NEPJUHHUSA-N 1 2 238.356 2.287 10 0 BEAELO c1ncc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)s1 ZINC000245512775 388421653 /nfs/dbraw/zinc/42/16/53/388421653.db2.gz AYVFNYFEQBZZET-NEPJUHHUSA-N 1 2 238.356 2.287 10 0 BEAELO Cc1ccc([C@@H](C)[NH2+]Cc2cn[nH]n2)c(C)c1 ZINC000296348351 388422979 /nfs/dbraw/zinc/42/29/79/388422979.db2.gz QWLWTCONFAMPCB-LLVKDONJSA-N 1 2 230.315 2.272 10 0 BEAELO CCn1cc[nH+]c1C[S@@](=O)c1ccoc1C ZINC000189638551 388640725 /nfs/dbraw/zinc/64/07/25/388640725.db2.gz AGTXIRIKKBHTAQ-MRXNPFEDSA-N 1 2 238.312 2.112 10 0 BEAELO OC1CC(CNc2cc(C(F)(F)F)cc[nH+]2)C1 ZINC000090803690 388753137 /nfs/dbraw/zinc/75/31/37/388753137.db2.gz YVCQTFOLPAVSNM-UHFFFAOYSA-N 1 2 246.232 2.283 10 0 BEAELO CC(C)n1cc[nH+]c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000195513689 388711485 /nfs/dbraw/zinc/71/14/85/388711485.db2.gz XRTRHUUQBWXGFJ-RYUDHWBXSA-N 1 2 237.347 2.073 10 0 BEAELO OC1CC(CNc2ccc3ccccc3[nH+]2)C1 ZINC000091524859 388764914 /nfs/dbraw/zinc/76/49/14/388764914.db2.gz UEAYHMFAPHHDLN-UHFFFAOYSA-N 1 2 228.295 2.418 10 0 BEAELO C[C@@H]1CC(=O)CCN1c1ccc([NH+](C)C)cc1 ZINC000049711476 132357670 /nfs/dbraw/zinc/35/76/70/132357670.db2.gz HBJWVNVJQXGNBC-LLVKDONJSA-N 1 2 232.327 2.310 10 0 BEAELO OCc1cccc(N2CCc3sccc3C2)[nH+]1 ZINC000051041711 132359871 /nfs/dbraw/zinc/35/98/71/132359871.db2.gz JXDRSRUTYCOLAK-UHFFFAOYSA-N 1 2 246.335 2.198 10 0 BEAELO C[C@H]1C[C@H](C)CN(c2cc[nH+]c(C(N)=S)c2)C1 ZINC000061812194 132387236 /nfs/dbraw/zinc/38/72/36/132387236.db2.gz LKPGQALJBHPCRY-UWVGGRQHSA-N 1 2 249.383 2.198 10 0 BEAELO Cc1cc(C=O)ccc1N1CCn2cc[nH+]c2C1 ZINC000062253119 132387687 /nfs/dbraw/zinc/38/76/87/132387687.db2.gz MYCUZTIJJNJPNO-UHFFFAOYSA-N 1 2 241.294 2.024 10 0 BEAELO COc1ccc(C[NH2+][C@H](C)c2ncc(C)o2)cn1 ZINC000220900614 134314917 /nfs/dbraw/zinc/31/49/17/134314917.db2.gz WPHJAPPKSDNVQE-SNVBAGLBSA-N 1 2 247.298 2.237 10 0 BEAELO COc1ccc(C[NH2+][C@@H](C)c2ncc(C)o2)cn1 ZINC000220900557 134315066 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IZJWTDWEIYLCOO-UHFFFAOYSA-N 1 2 221.300 2.118 10 0 BEAELO CCOC(=O)[C@@H]([NH3+])c1csc2ccccc21 ZINC000033786743 170254312 /nfs/dbraw/zinc/25/43/12/170254312.db2.gz LGMNCFQURFBTDH-NSHDSACASA-N 1 2 235.308 2.464 10 0 BEAELO CCOC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000075838454 170298588 /nfs/dbraw/zinc/29/85/88/170298588.db2.gz IQZGJDSJKFQBIS-UHFFFAOYSA-N 1 2 216.240 2.049 10 0 BEAELO CCOC/C=C\c1cn2ccccc2[nH+]1 ZINC000215593962 170317511 /nfs/dbraw/zinc/31/75/11/170317511.db2.gz GHJUQRGMJBMTJQ-WAYWQWQTSA-N 1 2 202.257 2.384 10 0 BEAELO CCOCCCNc1cc[nH+]c(C2CC2)n1 ZINC000110111761 170383856 /nfs/dbraw/zinc/38/38/56/170383856.db2.gz OCKQDLIWWFAWEE-UHFFFAOYSA-N 1 2 221.304 2.193 10 0 BEAELO CCCc1nccnc1N[C@@H](C)Cn1cc[nH+]c1 ZINC000663386093 411643646 /nfs/dbraw/zinc/64/36/46/411643646.db2.gz AZVSSHLHONVVTD-NSHDSACASA-N 1 2 245.330 2.126 10 0 BEAELO COC(=O)[C@@H](C)c1cc(N)[nH+]c2ccccc21 ZINC000606303168 411909375 /nfs/dbraw/zinc/90/93/75/411909375.db2.gz PFYIHEDILXCMMA-QMMMGPOBSA-N 1 2 230.267 2.094 10 0 BEAELO CC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccccn1 ZINC000067803226 171162636 /nfs/dbraw/zinc/16/26/36/171162636.db2.gz RVESXZIXLXRJKV-CYBMUJFWSA-N 1 2 242.326 2.314 10 0 BEAELO CC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccccn1 ZINC000067803226 171162637 /nfs/dbraw/zinc/16/26/37/171162637.db2.gz RVESXZIXLXRJKV-CYBMUJFWSA-N 1 2 242.326 2.314 10 0 BEAELO CCc1nc(N)c(-c2cccc(F)c2)c[nH+]1 ZINC000061675357 172015364 /nfs/dbraw/zinc/01/53/64/172015364.db2.gz TWMWHQSDDWFUGK-UHFFFAOYSA-N 1 2 217.247 2.427 10 0 BEAELO CCc1sc(Cc2c[nH]c[nH+]2)nc1C ZINC000013802764 172130009 /nfs/dbraw/zinc/13/00/09/172130009.db2.gz FDTWOCAFXMIOCT-UHFFFAOYSA-N 1 2 207.302 2.328 10 0 BEAELO CCn1ccnc1C[NH2+][C@H](C)c1ccco1 ZINC000051921489 172224393 /nfs/dbraw/zinc/22/43/93/172224393.db2.gz MXMMZVRDJJHXKR-SNVBAGLBSA-N 1 2 219.288 2.347 10 0 BEAELO CCn1cc[nH+]c1CSc1ccc(N)cn1 ZINC000054743642 172225669 /nfs/dbraw/zinc/22/56/69/172225669.db2.gz RMTBWNDKHZKPSO-UHFFFAOYSA-N 1 2 234.328 2.173 10 0 BEAELO CN(Cc1ccsc1)[C@@H](C[NH3+])c1ccccn1 ZINC000035719104 172908955 /nfs/dbraw/zinc/90/89/55/172908955.db2.gz AGJRUPLPNAGZMI-ZDUSSCGKSA-N 1 2 247.367 2.275 10 0 BEAELO C[N@@H+]1CCc2oc(Br)cc2C1 ZINC000082370072 173173734 /nfs/dbraw/zinc/17/37/34/173173734.db2.gz XITNJARRDIQGRB-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO C[N@H+]1CCc2oc(Br)cc2C1 ZINC000082370072 173173737 /nfs/dbraw/zinc/17/37/37/173173737.db2.gz XITNJARRDIQGRB-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO C[N@@H+]1CCc2coc(Br)c2C1 ZINC000082370071 173174757 /nfs/dbraw/zinc/17/47/57/173174757.db2.gz SMLHCPZZHMGMQU-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO C[N@H+]1CCc2coc(Br)c2C1 ZINC000082370071 173174759 /nfs/dbraw/zinc/17/47/59/173174759.db2.gz SMLHCPZZHMGMQU-UHFFFAOYSA-N 1 2 216.078 2.030 10 0 BEAELO COCCNc1ccc2ccccc2[nH+]1 ZINC000020564104 174341843 /nfs/dbraw/zinc/34/18/43/174341843.db2.gz YVLUYIDOYQXEDK-UHFFFAOYSA-N 1 2 202.257 2.293 10 0 BEAELO COc1cc2c(c(OC)c1)[NH2+]C[C@H](C)C2 ZINC000011633225 175020269 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DDCVWXZZOIPIID-SNVBAGLBSA-N 1 2 231.274 2.467 10 0 BEAELO C[C@@H]1CCC[N@@H+]1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911658 176108986 /nfs/dbraw/zinc/10/89/86/176108986.db2.gz AYGUJJSAYIZINJ-SNVBAGLBSA-N 1 2 247.294 2.082 10 0 BEAELO C[C@@H]1CCC[N@H+]1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911658 176108988 /nfs/dbraw/zinc/10/89/88/176108988.db2.gz AYGUJJSAYIZINJ-SNVBAGLBSA-N 1 2 247.294 2.082 10 0 BEAELO C[C@H]1CCC[N@@H+]1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911659 177109218 /nfs/dbraw/zinc/10/92/18/177109218.db2.gz AYGUJJSAYIZINJ-JTQLQIEISA-N 1 2 247.294 2.082 10 0 BEAELO C[C@H]1CCC[N@H+]1CC(=O)c1ccc2c(c1)OCO2 ZINC000037911659 177109220 /nfs/dbraw/zinc/10/92/20/177109220.db2.gz AYGUJJSAYIZINJ-JTQLQIEISA-N 1 2 247.294 2.082 10 0 BEAELO C[C@H]1C[N@H+](Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072095 177262325 /nfs/dbraw/zinc/26/23/25/177262325.db2.gz CQRLSMJMTJWZSZ-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@H]1C[N@@H+](Cc2ccc(Cl)c(N)c2)CCO1 ZINC000020072095 177262327 /nfs/dbraw/zinc/26/23/27/177262327.db2.gz CQRLSMJMTJWZSZ-VIFPVBQESA-N 1 2 240.734 2.143 10 0 BEAELO C[C@@H](c1ccccn1)[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693733 177274470 /nfs/dbraw/zinc/27/44/70/177274470.db2.gz QHULROLQMGRQAQ-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H](c1ccccn1)[N@H+]1CCC(=O)[C@@H](C)C1 ZINC000049693733 177274473 /nfs/dbraw/zinc/27/44/73/177274473.db2.gz QHULROLQMGRQAQ-QWRGUYRKSA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1cc(N[C@@H]2C[C@@H]2C)nc[nH+]1 ZINC000123627529 177386132 /nfs/dbraw/zinc/38/61/32/177386132.db2.gz RQDYSMOMMVETHU-FIRGSJFUSA-N 1 2 218.304 2.117 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1cc(N[C@@H]2C[C@@H]2C)[nH+]cn1 ZINC000123627529 177386133 /nfs/dbraw/zinc/38/61/33/177386133.db2.gz RQDYSMOMMVETHU-FIRGSJFUSA-N 1 2 218.304 2.117 10 0 BEAELO OCC[C@@H]1CCN(c2[nH+]ccc3ccccc32)C1 ZINC000124227213 324611892 /nfs/dbraw/zinc/61/18/92/324611892.db2.gz AQFJVUOQKYOOTI-LBPRGKRZSA-N 1 2 242.322 2.444 10 0 BEAELO Cc1cc(NC(=O)[C@@H](C)C2CCOCC2)cc[nH+]1 ZINC000133799794 325320447 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344649131 /nfs/dbraw/zinc/64/91/31/344649131.db2.gz QSCLHNMRTCOPFT-NSHDSACASA-N 1 2 207.273 2.223 10 0 BEAELO C[N@@H+](Cc1ccoc1)[C@H]1CCCCC1=O ZINC000050151014 344649133 /nfs/dbraw/zinc/64/91/33/344649133.db2.gz QSCLHNMRTCOPFT-NSHDSACASA-N 1 2 207.273 2.223 10 0 BEAELO Cc1[nH]c(CN2CCO[C@H]3CCCC[C@@H]32)[nH+]c1C ZINC000628146042 344824969 /nfs/dbraw/zinc/82/49/69/344824969.db2.gz CIQJIEHKWDRHMB-STQMWFEESA-N 1 2 249.358 2.170 10 0 BEAELO COc1c(Br)ccc2[nH+]ccn21 ZINC000238338216 345025658 /nfs/dbraw/zinc/02/56/58/345025658.db2.gz HVVDQPDIOVZJNM-UHFFFAOYSA-N 1 2 227.061 2.105 10 0 BEAELO COc1ccc[nH+]c1NC[C@@H]1CCCC[C@@H]1O ZINC000128126373 345111717 /nfs/dbraw/zinc/11/17/17/345111717.db2.gz CYHZLSDIVVZIGC-QWRGUYRKSA-N 1 2 236.315 2.053 10 0 BEAELO CSCC[N@@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158755847 345374538 /nfs/dbraw/zinc/37/45/38/345374538.db2.gz PVQYUJCCLFSVIP-GFCCVEGCSA-N 1 2 241.356 2.324 10 0 BEAELO CSCC[N@H+]1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158755847 345374541 /nfs/dbraw/zinc/37/45/41/345374541.db2.gz PVQYUJCCLFSVIP-GFCCVEGCSA-N 1 2 241.356 2.324 10 0 BEAELO Cc1nc2[nH]ccc2c(N2CCS[C@@H](C)C2)[nH+]1 ZINC000080985996 345458389 /nfs/dbraw/zinc/45/83/89/345458389.db2.gz QEFIOMVTALHWPI-QMMMGPOBSA-N 1 2 248.355 2.208 10 0 BEAELO Nc1c2ccc(F)cc2[nH+]c2c1C(=O)CCC2 ZINC000034192534 345818948 /nfs/dbraw/zinc/81/89/48/345818948.db2.gz BQODEXMWLQQVQQ-UHFFFAOYSA-N 1 2 230.242 2.475 10 0 BEAELO CCn1cc[nH+]c1C[C@]1(C)CCC(=O)C1 ZINC000166877173 345925116 /nfs/dbraw/zinc/92/51/16/345925116.db2.gz HYWYVDKNSSTVGW-GFCCVEGCSA-N 1 2 206.289 2.205 10 0 BEAELO CCNc1[nH+]cc(N)c(C)c1Br ZINC000167003501 346178982 /nfs/dbraw/zinc/17/89/82/346178982.db2.gz GNIJAJFBCPTOKB-UHFFFAOYSA-N 1 2 230.109 2.167 10 0 BEAELO C[NH2+][C@@H](c1csc(C)c1)c1cnsn1 ZINC000163500379 346563738 /nfs/dbraw/zinc/56/37/38/346563738.db2.gz HHISJSOSNQJSAP-VIFPVBQESA-N 1 2 225.342 2.217 10 0 BEAELO Fc1ccc(Cl)c(C2(F)C[NH2+]C2)c1 ZINC000164544470 346608834 /nfs/dbraw/zinc/60/88/34/346608834.db2.gz ZXRMLBGEGNBTMK-UHFFFAOYSA-N 1 2 203.619 2.247 10 0 BEAELO [NH3+][C@H](c1cnsn1)c1ccc(Cl)s1 ZINC000164716009 346619516 /nfs/dbraw/zinc/61/95/16/346619516.db2.gz NMJTZZMOKLWKEV-SSDOTTSWSA-N 1 2 231.733 2.301 10 0 BEAELO Cc1cccc(NCCn2cc[nH+]c2)c1 ZINC000053520358 179146065 /nfs/dbraw/zinc/14/60/65/179146065.db2.gz PKHYEUVIZLALKC-UHFFFAOYSA-N 1 2 201.273 2.304 10 0 BEAELO CCOC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)[NH2+]1 ZINC000039001825 347173046 /nfs/dbraw/zinc/17/30/46/347173046.db2.gz RHDAPCGEYBWHSC-OLZOCXBDSA-N 1 2 233.311 2.351 10 0 BEAELO CN(C)Nc1[nH+]c(Cl)nc2ccccc21 ZINC000149624636 347381649 /nfs/dbraw/zinc/38/16/49/347381649.db2.gz FRUSCNNGFOKHAT-UHFFFAOYSA-N 1 2 222.679 2.172 10 0 BEAELO Cc1ccccc1-c1[nH+]c(C2CC2)n(N)c1N ZINC000052839102 179237971 /nfs/dbraw/zinc/23/79/71/179237971.db2.gz LJGUGCXIIQBOMQ-UHFFFAOYSA-N 1 2 228.299 2.032 10 0 BEAELO c1cc(C[NH2+][C@H]2CCOc3ccccc32)no1 ZINC000148734416 537992959 /nfs/dbraw/zinc/99/29/59/537992959.db2.gz KGOXLTJJYQKGRU-LBPRGKRZSA-N 1 2 230.267 2.288 10 0 BEAELO Cc1ccccc1Nc1[nH+]cnc(N(C)C)c1N ZINC000040723495 179308612 /nfs/dbraw/zinc/30/86/12/179308612.db2.gz ZJHZJYGADMOLQZ-UHFFFAOYSA-N 1 2 243.314 2.177 10 0 BEAELO Cc1cccn2c([C@@H](N)C(F)(F)F)c[nH+]c12 ZINC000031919727 179354098 /nfs/dbraw/zinc/35/40/98/179354098.db2.gz GECBSZCRLZYQJZ-MRVPVSSYSA-N 1 2 229.205 2.205 10 0 BEAELO Cc1cccn2c(N)c(-c3ccco3)[nH+]c12 ZINC000074541833 179354405 /nfs/dbraw/zinc/35/44/05/179354405.db2.gz HFOWAWVEULROMZ-UHFFFAOYSA-N 1 2 213.240 2.485 10 0 BEAELO O[C@H](CCn1cc[nH+]c1)c1cccs1 ZINC000198393062 348717971 /nfs/dbraw/zinc/71/79/71/348717971.db2.gz XRGRORDAQZAPFK-SECBINFHSA-N 1 2 208.286 2.068 10 0 BEAELO Cc1cn[nH]c1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000309781798 180051398 /nfs/dbraw/zinc/05/13/98/180051398.db2.gz NAVPSTZYHXQCRX-QMMMGPOBSA-N 1 2 236.344 2.334 10 0 BEAELO Cc1c[nH]nc1C[NH2+][C@@H](C)c1csc(C)n1 ZINC000309781798 180051401 /nfs/dbraw/zinc/05/14/01/180051401.db2.gz NAVPSTZYHXQCRX-QMMMGPOBSA-N 1 2 236.344 2.334 10 0 BEAELO CC[C@H](NCc1cscn1)c1[nH+]ccn1C ZINC000132139945 191024976 /nfs/dbraw/zinc/02/49/76/191024976.db2.gz GLQQSFJZPYKRSN-JTQLQIEISA-N 1 2 236.344 2.118 10 0 BEAELO Cc1[nH+]cccc1N[C@@H](C)c1ccnn1C ZINC000192252135 180226508 /nfs/dbraw/zinc/22/65/08/180226508.db2.gz QZJWVSJGGYSDLE-JTQLQIEISA-N 1 2 216.288 2.297 10 0 BEAELO Cc1ncsc1C[N@H+]1[C@H](C)COC[C@@H]1C ZINC000093607448 180318032 /nfs/dbraw/zinc/31/80/32/180318032.db2.gz OFQRVFFOALBTNK-DTORHVGOSA-N 1 2 226.345 2.061 10 0 BEAELO Cc1ncsc1C[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000093607448 180318034 /nfs/dbraw/zinc/31/80/34/180318034.db2.gz OFQRVFFOALBTNK-DTORHVGOSA-N 1 2 226.345 2.061 10 0 BEAELO COc1cccc([C@@H]([NH3+])C(F)F)c1F ZINC000226551152 350439020 /nfs/dbraw/zinc/43/90/20/350439020.db2.gz BYTGKLZWRBSGRD-MRVPVSSYSA-N 1 2 205.179 2.099 10 0 BEAELO [NH3+]c1ccc2c(c1)C[C@@H](O)[C@H](C1CCCC1)N2 ZINC000725268106 538099467 /nfs/dbraw/zinc/09/94/67/538099467.db2.gz KAUBTIRPGZGXKL-KGLIPLIRSA-N 1 2 232.327 2.157 10 0 BEAELO CC[N@@H+]1CCOC[C@@H]1c1cnnc2ccccc21 ZINC000616600376 350779676 /nfs/dbraw/zinc/77/96/76/350779676.db2.gz FZLDUIOQXNELMW-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO CC[N@H+]1CCOC[C@@H]1c1cnnc2ccccc21 ZINC000616600376 350779680 /nfs/dbraw/zinc/77/96/80/350779680.db2.gz FZLDUIOQXNELMW-CQSZACIVSA-N 1 2 243.310 2.023 10 0 BEAELO c1coc([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000616603415 350788872 /nfs/dbraw/zinc/78/88/72/350788872.db2.gz ODEPXNNJQYHSCS-ZDUSSCGKSA-N 1 2 244.294 2.248 10 0 BEAELO c1coc([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000616603415 350788876 /nfs/dbraw/zinc/78/88/76/350788876.db2.gz ODEPXNNJQYHSCS-ZDUSSCGKSA-N 1 2 244.294 2.248 10 0 BEAELO C[C@H](NC1=[NH+]C[C@@H](C)S1)C(F)(F)F ZINC000306746358 350934319 /nfs/dbraw/zinc/93/43/19/350934319.db2.gz IVHKGSVXYZQHKS-UHNVWZDZSA-N 1 2 212.240 2.018 10 0 BEAELO [NH3+]c1ccc2c(c1)C[C@@H](O)[C@@H](C1CCCC1)N2 ZINC000725268108 538099679 /nfs/dbraw/zinc/09/96/79/538099679.db2.gz KAUBTIRPGZGXKL-ZIAGYGMSSA-N 1 2 232.327 2.157 10 0 BEAELO Cc1csc([C@@H]2[NH2+]C[C@H](C)CS2)n1 ZINC000159621882 350955386 /nfs/dbraw/zinc/95/53/86/350955386.db2.gz VMIMEBGSCXAOSD-POYBYMJQSA-N 1 2 214.359 2.423 10 0 BEAELO C[N@@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641780 351151875 /nfs/dbraw/zinc/15/18/75/351151875.db2.gz PKZQYQPUYAZDQF-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCOC[C@H]1c1ccc2ccccc2n1 ZINC000616641780 351151878 /nfs/dbraw/zinc/15/18/78/351151878.db2.gz PKZQYQPUYAZDQF-AWEZNQCLSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@@H+]1CCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616675537 351243110 /nfs/dbraw/zinc/24/31/10/351243110.db2.gz FNFCRQBRKMUHEF-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO C[N@H+]1CCO[C@@H](c2ccc3ccccc3n2)C1 ZINC000616675537 351243111 /nfs/dbraw/zinc/24/31/11/351243111.db2.gz FNFCRQBRKMUHEF-CQSZACIVSA-N 1 2 228.295 2.238 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@H]1c1c[nH+]c[nH]1 ZINC000616669435 351228614 /nfs/dbraw/zinc/22/86/14/351228614.db2.gz IKDCXYOLDOIMES-AWEZNQCLSA-N 1 2 241.294 2.450 10 0 BEAELO CC(=O)N1c2ccccc2CC[C@H]1c1c[nH]c[nH+]1 ZINC000616669435 351228618 /nfs/dbraw/zinc/22/86/18/351228618.db2.gz IKDCXYOLDOIMES-AWEZNQCLSA-N 1 2 241.294 2.450 10 0 BEAELO O=C1CC[C@@H]([N@@H+]2CCC=C(Br)C2)C1 ZINC000404425403 351439774 /nfs/dbraw/zinc/43/97/74/351439774.db2.gz MAEFXHCXWMXMPK-SECBINFHSA-N 1 2 244.132 2.093 10 0 BEAELO O=C1CC[C@@H]([N@H+]2CCC=C(Br)C2)C1 ZINC000404425403 351439778 /nfs/dbraw/zinc/43/97/78/351439778.db2.gz MAEFXHCXWMXMPK-SECBINFHSA-N 1 2 244.132 2.093 10 0 BEAELO Cc1cnc([C@@H]2[NH2+]C[C@@H](C)CS2)s1 ZINC000307051304 351453049 /nfs/dbraw/zinc/45/30/49/351453049.db2.gz SJBJMHVZIGXGIE-HTRCEHHLSA-N 1 2 214.359 2.423 10 0 BEAELO [NH3+][C@@H](c1ccc(Cl)o1)c1ccns1 ZINC000307101629 351477214 /nfs/dbraw/zinc/47/72/14/351477214.db2.gz YZQSYSGZOWDVTF-QMMMGPOBSA-N 1 2 214.677 2.438 10 0 BEAELO Cc1c[nH+]cc(Cc2cnc(N)s2)c1 ZINC000232080670 351703269 /nfs/dbraw/zinc/70/32/69/351703269.db2.gz NMCFUNVFCCBXEC-UHFFFAOYSA-N 1 2 205.286 2.020 10 0 BEAELO Cc1cc(-c2nn(C)cc2C(F)F)cc(N)[nH+]1 ZINC000725270497 538102161 /nfs/dbraw/zinc/10/21/61/538102161.db2.gz PGRBKBTYJZKQPL-UHFFFAOYSA-N 1 2 238.241 2.310 10 0 BEAELO C[NH2+][C@@H](c1csc(C)n1)C1=CCCO1 ZINC000168380514 352480146 /nfs/dbraw/zinc/48/01/46/352480146.db2.gz WWUHJCGSDKNCNJ-JTQLQIEISA-N 1 2 210.302 2.016 10 0 BEAELO CC(C)(C)c1nc([C@H]([NH3+])c2ccsc2)no1 ZINC000036764651 188112503 /nfs/dbraw/zinc/11/25/03/188112503.db2.gz CRFHOCTUYGIBJI-MRVPVSSYSA-N 1 2 237.328 2.477 10 0 BEAELO CC(C)(C)c1nc([C@H]([NH3+])c2cccs2)no1 ZINC000041673008 188119793 /nfs/dbraw/zinc/11/97/93/188119793.db2.gz QTHUDGKAYRDQSL-MRVPVSSYSA-N 1 2 237.328 2.477 10 0 BEAELO CNc1[nH+]cccc1CSc1cnn(C)c1 ZINC000052756599 188126457 /nfs/dbraw/zinc/12/64/57/188126457.db2.gz ZGGIAOPNOGUTTN-UHFFFAOYSA-N 1 2 234.328 2.149 10 0 BEAELO Fc1cccc(Cl)c1[C@@H]1[NH2+]CCCO1 ZINC000049815902 181000537 /nfs/dbraw/zinc/00/05/37/181000537.db2.gz UZGFDDABBSUNRE-SNVBAGLBSA-N 1 2 215.655 2.488 10 0 BEAELO CCNc1nc(N)[nH+]c2sc(C)cc21 ZINC000233674084 353838347 /nfs/dbraw/zinc/83/83/47/353838347.db2.gz OLDLQQDNDPSCMD-UHFFFAOYSA-N 1 2 208.290 2.014 10 0 BEAELO NC(=[NH2+])c1nccnc1Sc1ccccc1F ZINC000054381034 181197673 /nfs/dbraw/zinc/19/76/73/181197673.db2.gz OGXMTSHLLOXFLJ-UHFFFAOYSA-N 1 2 248.286 2.051 10 0 BEAELO Nc1cccc(-c2[nH+]ccn2CCF)c1 ZINC000087775427 538569447 /nfs/dbraw/zinc/56/94/47/538569447.db2.gz MUNCRZWFHCMWQK-UHFFFAOYSA-N 1 2 205.236 2.102 10 0 BEAELO OCc1cc(OCc2ccccc2)cc[nH+]1 ZINC000039019073 358217310 /nfs/dbraw/zinc/21/73/10/358217310.db2.gz YMFDHAOBUOVUNL-UHFFFAOYSA-N 1 2 215.252 2.153 10 0 BEAELO Cc1cccc(C[C@@H](O)c2ccco2)[nH+]1 ZINC000584613775 358277819 /nfs/dbraw/zinc/27/78/19/358277819.db2.gz HSQWJWFOKGZJPV-LLVKDONJSA-N 1 2 203.241 2.259 10 0 BEAELO CC1(C)C(=O)Nc2cc(-c3c[nH]c[nH+]3)ccc21 ZINC000584625614 358294740 /nfs/dbraw/zinc/29/47/40/358294740.db2.gz LFRVEEHXZWZBSW-UHFFFAOYSA-N 1 2 227.267 2.306 10 0 BEAELO CCCNc1ccc(C2=[NH+]NC(=O)CC2)cc1 ZINC000584630451 358300013 /nfs/dbraw/zinc/30/00/13/358300013.db2.gz ATCWQZHPXALJTR-UHFFFAOYSA-N 1 2 231.299 2.123 10 0 BEAELO CC(C)CC[N@@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000584638468 358323927 /nfs/dbraw/zinc/32/39/27/358323927.db2.gz ACUIXYNWTNRCGI-HUUCEWRRSA-N 1 2 249.354 2.424 10 0 BEAELO CC(C)CC[N@H+]1C[C@H](CO)O[C@@H]1c1ccccc1 ZINC000584638468 358323931 /nfs/dbraw/zinc/32/39/31/358323931.db2.gz ACUIXYNWTNRCGI-HUUCEWRRSA-N 1 2 249.354 2.424 10 0 BEAELO CC[C@H](Nc1[nH+]cnc2c1cnn2C)C(C)C ZINC000042591233 358527660 /nfs/dbraw/zinc/52/76/60/358527660.db2.gz ZFSNTXVPWCWIDL-JTQLQIEISA-N 1 2 233.319 2.210 10 0 BEAELO COC(=O)c1coc(CNc2c[nH+]ccc2C)c1 ZINC000130809297 358647703 /nfs/dbraw/zinc/64/77/03/358647703.db2.gz VVLKWWVTQPQAEK-UHFFFAOYSA-N 1 2 246.266 2.382 10 0 BEAELO CCCCC[S@](=O)Cc1[nH+]ccn1CC ZINC000180530637 366496825 /nfs/dbraw/zinc/49/68/25/366496825.db2.gz KDOHQPKNODIAAA-HNNXBMFYSA-N 1 2 228.361 2.342 10 0 BEAELO COc1ncc([C@@H]2[NH2+]C[C@@H](C)CS2)s1 ZINC000306158099 358953259 /nfs/dbraw/zinc/95/32/59/358953259.db2.gz DECCUPOPWKMGFQ-HTRCEHHLSA-N 1 2 230.358 2.123 10 0 BEAELO CN(C)C(=[NH2+])c1cc(Br)ccc1O ZINC000306219697 359336099 /nfs/dbraw/zinc/33/60/99/359336099.db2.gz SZVPHURHCUETJK-UHFFFAOYSA-N 1 2 243.104 2.042 10 0 BEAELO [NH3+][C@@H](c1cscn1)c1ccc(Cl)o1 ZINC000306283685 359516960 /nfs/dbraw/zinc/51/69/60/359516960.db2.gz CITFJXKEVJSFBW-QMMMGPOBSA-N 1 2 214.677 2.438 10 0 BEAELO c1csc([C@H]2C[N@H+](Cc3cc[nH]c3)CCO2)n1 ZINC000092831703 360202631 /nfs/dbraw/zinc/20/26/31/360202631.db2.gz GUNVNSMBXFLMRA-LLVKDONJSA-N 1 2 249.339 2.045 10 0 BEAELO c1csc([C@H]2C[N@@H+](Cc3cc[nH]c3)CCO2)n1 ZINC000092831703 360202634 /nfs/dbraw/zinc/20/26/34/360202634.db2.gz GUNVNSMBXFLMRA-LLVKDONJSA-N 1 2 249.339 2.045 10 0 BEAELO Cc1cnc([C@H]2[NH2+]C[C@H](C)S2)s1 ZINC000306547338 360416482 /nfs/dbraw/zinc/41/64/82/360416482.db2.gz CCYFFBHPRNDAAZ-XPUUQOCRSA-N 1 2 200.332 2.175 10 0 BEAELO Cc1csc([C@@H]([NH3+])c2ncc(C)s2)n1 ZINC000306597723 360519602 /nfs/dbraw/zinc/51/96/02/360519602.db2.gz OTCZYYQQWGZGOQ-ZETCQYMHSA-N 1 2 225.342 2.265 10 0 BEAELO NC(=S)c1cc(NCc2cccs2)cc[nH+]1 ZINC000061812442 181320705 /nfs/dbraw/zinc/32/07/05/181320705.db2.gz BJXRQIHBCZJJAE-UHFFFAOYSA-N 1 2 249.364 2.389 10 0 BEAELO CCCc1[nH+]ccn1-c1ccc(Cl)nn1 ZINC000070535666 361533810 /nfs/dbraw/zinc/53/38/10/361533810.db2.gz OTZSHTDUUJUIJL-UHFFFAOYSA-N 1 2 222.679 2.268 10 0 BEAELO [NH3+][C@@H](c1ncon1)c1cc(Cl)cc(Cl)c1 ZINC000037425119 364023868 /nfs/dbraw/zinc/02/38/68/364023868.db2.gz CBXVRJVBFPDTOI-MRVPVSSYSA-N 1 2 244.081 2.425 10 0 BEAELO [NH3+]CC(F)(F)c1ncc(-c2ccccc2)o1 ZINC000238856154 181358126 /nfs/dbraw/zinc/35/81/26/181358126.db2.gz VCNGWLWOLSPWOD-UHFFFAOYSA-N 1 2 224.210 2.392 10 0 BEAELO c1coc([C@@H]2CCC[N@H+]2Cc2ncccn2)c1 ZINC000192028849 365270254 /nfs/dbraw/zinc/27/02/54/365270254.db2.gz SUMVSCVLSJLTJI-NSHDSACASA-N 1 2 229.283 2.407 10 0 BEAELO c1coc([C@@H]2CCC[N@@H+]2Cc2ncccn2)c1 ZINC000192028849 365270261 /nfs/dbraw/zinc/27/02/61/365270261.db2.gz SUMVSCVLSJLTJI-NSHDSACASA-N 1 2 229.283 2.407 10 0 BEAELO c1nn(-c2ccccc2)nc1C[NH+]1CCCCC1 ZINC000058472184 368512393 /nfs/dbraw/zinc/51/23/93/368512393.db2.gz IAJKKCSSZMMPRL-UHFFFAOYSA-N 1 2 242.326 2.253 10 0 BEAELO CCOC(=O)Cc1cn(C2CCCCC2)c[nH+]1 ZINC000114496584 370569622 /nfs/dbraw/zinc/56/96/22/370569622.db2.gz SPAIBXGAXMXHPF-UHFFFAOYSA-N 1 2 236.315 2.494 10 0 BEAELO [NH3+]N1CC[C@@H](c2ccccc2Br)C1 ZINC000077387083 181510642 /nfs/dbraw/zinc/51/06/42/181510642.db2.gz QPBPCWVQPWASLN-MRVPVSSYSA-N 1 2 241.132 2.112 10 0 BEAELO [NH3+][C@H](c1nccs1)c1c(F)cccc1F ZINC000041059852 181635302 /nfs/dbraw/zinc/63/53/02/181635302.db2.gz LMZSECBIGAZGMG-VIFPVBQESA-N 1 2 226.251 2.469 10 0 BEAELO Nc1ccc(OC[C@H]2CCOC2)c2cc[nH+]cc12 ZINC000049688433 181722742 /nfs/dbraw/zinc/72/27/42/181722742.db2.gz HDRYLRWVWGQRTP-JTQLQIEISA-N 1 2 244.294 2.232 10 0 BEAELO Nc1[nH+]c2c(cccc2F)n1Cc1ccncc1 ZINC000037421265 181790118 /nfs/dbraw/zinc/79/01/18/181790118.db2.gz VNYHNNIHZBWKDE-UHFFFAOYSA-N 1 2 242.257 2.201 10 0 BEAELO Cc1cccn2c3c([nH+]c12)CCSC3 ZINC000228018094 371976490 /nfs/dbraw/zinc/97/64/90/371976490.db2.gz XTCMDOWPWDBZEO-UHFFFAOYSA-N 1 2 204.298 2.432 10 0 BEAELO CC[C@]([NH3+])(c1ccc(F)cn1)C(F)F ZINC000163222833 371955612 /nfs/dbraw/zinc/95/56/12/371955612.db2.gz BLNIVSUAYSRRCV-VIFPVBQESA-N 1 2 204.195 2.050 10 0 BEAELO COc1cc[nH+]cc1[C@H]1CCCCC1=O ZINC000306724576 372061268 /nfs/dbraw/zinc/06/12/68/372061268.db2.gz IYURCIPXOVQCKT-SECBINFHSA-N 1 2 205.257 2.317 10 0 BEAELO O=C(Cc1c[nH+]c[nH]1)Nc1ccc(Cl)cc1 ZINC000103586710 182025644 /nfs/dbraw/zinc/02/56/44/182025644.db2.gz UYXLTZLEPQPADG-JTQLQIEISA-N 1 2 235.674 2.150 10 0 BEAELO O=C(Cc1c[nH]c[nH+]1)Nc1ccc(Cl)cc1 ZINC000103586710 182025645 /nfs/dbraw/zinc/02/56/45/182025645.db2.gz UYXLTZLEPQPADG-JTQLQIEISA-N 1 2 235.674 2.150 10 0 BEAELO OC1(CNc2cc[nH+]c(C3CC3)n2)CCCCC1 ZINC000112554602 183021892 /nfs/dbraw/zinc/02/18/92/183021892.db2.gz HHOXCPBLBAMHQT-UHFFFAOYSA-N 1 2 247.342 2.461 10 0 BEAELO OC[C@@H]1CCCCC[C@H]1Nc1cccc[nH+]1 ZINC000301794384 183115943 /nfs/dbraw/zinc/11/59/43/183115943.db2.gz SOACWKKFDJCGNJ-NWDGAFQWSA-N 1 2 220.316 2.435 10 0 BEAELO OC[C@H]1CCCCN(c2[nH]c3ccccc3[nH+]2)C1 ZINC000378298334 183147038 /nfs/dbraw/zinc/14/70/38/183147038.db2.gz YJSSIWVZNBDCTQ-NSHDSACASA-N 1 2 245.326 2.162 10 0 BEAELO O[C@H](Cn1cc[nH+]c1)c1ccc(Cl)s1 ZINC000041250454 183228558 /nfs/dbraw/zinc/22/85/58/183228558.db2.gz NJNALFLADACWBW-SSDOTTSWSA-N 1 2 228.704 2.332 10 0 BEAELO c1c[nH+]c(CNc2ccc(-c3nnco3)cc2)[nH]1 ZINC000049714747 183324942 /nfs/dbraw/zinc/32/49/42/183324942.db2.gz AUGYFVWBBKAFPB-UHFFFAOYSA-N 1 2 241.254 2.072 10 0 BEAELO c1c[nH+]c(CNc2ccc(-c3c[nH]cn3)cc2)[nH]1 ZINC000049715202 183325967 /nfs/dbraw/zinc/32/59/67/183325967.db2.gz FVQYRELYAALQSD-UHFFFAOYSA-N 1 2 239.282 2.412 10 0 BEAELO c1cn(Cc2ccc3ccncc3c2)c[nH+]1 ZINC000013808228 183375617 /nfs/dbraw/zinc/37/56/17/183375617.db2.gz SIZZGSWTNCSETD-UHFFFAOYSA-N 1 2 209.252 2.480 10 0 in-vivo BEAELO CCC[NH2+][C@@H](C(N)=O)c1c(F)cccc1Cl ZINC000037870235 169274043 /nfs/dbraw/zinc/27/40/43/169274043.db2.gz QOTZESSERGDBCZ-SNVBAGLBSA-N 1 2 244.697 2.005 10 0 BEAELO CCCNc1[nH+]cnc(Nc2cccnc2)c1N ZINC000040707725 169296356 /nfs/dbraw/zinc/29/63/56/169296356.db2.gz SYRADGTWJQQCNI-UHFFFAOYSA-N 1 2 244.302 2.019 10 0 BEAELO CCCNc1[nH+]cnc2c1cnn2CC(C)C ZINC000062366929 169296812 /nfs/dbraw/zinc/29/68/12/169296812.db2.gz LXTPFTAKJDJZES-UHFFFAOYSA-N 1 2 233.319 2.304 10 0 BEAELO CCCOc1ccc([NH2+]C[C@H](C)C(N)=O)cc1 ZINC000051785897 169319900 /nfs/dbraw/zinc/31/99/00/169319900.db2.gz VLWDPEHBYHPTSC-JTQLQIEISA-N 1 2 236.315 2.009 10 0 BEAELO Cc1cc[nH+]cc1N[C@H]1CCO[C@@H](C)C1 ZINC000069891317 383850879 /nfs/dbraw/zinc/85/08/79/383850879.db2.gz HPJVWBYQYATATQ-QWRGUYRKSA-N 1 2 206.289 2.369 10 0 BEAELO Cc1csc(C[N@H+]2[C@H](C)COC[C@@H]2C)n1 ZINC000088601506 383916499 /nfs/dbraw/zinc/91/64/99/383916499.db2.gz WVZCOCDEICJDJH-AOOOYVTPSA-N 1 2 226.345 2.061 10 0 BEAELO Cc1csc(C[N@@H+]2[C@H](C)COC[C@@H]2C)n1 ZINC000088601506 383916507 /nfs/dbraw/zinc/91/65/07/383916507.db2.gz WVZCOCDEICJDJH-AOOOYVTPSA-N 1 2 226.345 2.061 10 0 BEAELO Nc1ccc[nH+]c1Nc1ccc2c(c1)COC2 ZINC000082293824 384107040 /nfs/dbraw/zinc/10/70/40/384107040.db2.gz TZTXWIPLWAMCPN-UHFFFAOYSA-N 1 2 227.267 2.438 10 0 BEAELO c1ncc(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000091978776 384157664 /nfs/dbraw/zinc/15/76/64/384157664.db2.gz AYVFNYFEQBZZET-NWDGAFQWSA-N 1 2 238.356 2.287 10 0 BEAELO c1ncc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)s1 ZINC000091978776 384157665 /nfs/dbraw/zinc/15/76/65/384157665.db2.gz AYVFNYFEQBZZET-NWDGAFQWSA-N 1 2 238.356 2.287 10 0 BEAELO Cc1c(CNc2ccc([NH+](C)C)cc2)cnn1C ZINC000093649412 384257825 /nfs/dbraw/zinc/25/78/25/384257825.db2.gz FSLPCZXZUOKGJB-UHFFFAOYSA-N 1 2 244.342 2.407 10 0 BEAELO C[C@H](NC(=S)Nc1cc[nH+]cc1)C(C)(C)C ZINC000013724788 384372184 /nfs/dbraw/zinc/37/21/84/384372184.db2.gz TYNORQRGVYNOSO-VIFPVBQESA-N 1 2 237.372 2.225 10 0 BEAELO CN1C[C@H](c2c[nH]c[nH+]2)Cc2ccccc21 ZINC000616668514 384408055 /nfs/dbraw/zinc/40/80/55/384408055.db2.gz BXXZIQLNHOCNPE-LLVKDONJSA-N 1 2 213.284 2.186 10 0 BEAELO CN1C[C@H](c2c[nH+]c[nH]2)Cc2ccccc21 ZINC000616668514 384408060 /nfs/dbraw/zinc/40/80/60/384408060.db2.gz BXXZIQLNHOCNPE-LLVKDONJSA-N 1 2 213.284 2.186 10 0 BEAELO Cc1c[nH+]ccc1NC(=O)N[C@@H](C)[C@H]1CCCO1 ZINC000121332642 384413164 /nfs/dbraw/zinc/41/31/64/384413164.db2.gz FYWXCVUGEQKDGS-CMPLNLGQSA-N 1 2 249.314 2.079 10 0 BEAELO Cn1c2ccccc2[nH+]c1N[C@H]1CCCC[C@H]1O ZINC000079046778 384482360 /nfs/dbraw/zinc/48/23/60/384482360.db2.gz FXYMPIBUTNZUKB-WCQYABFASA-N 1 2 245.326 2.289 10 0 BEAELO Cc1nnc(C[NH2+][C@@H](C)c2ccc(C)c(F)c2)[nH]1 ZINC000358040601 384693907 /nfs/dbraw/zinc/69/39/07/384693907.db2.gz RYTIHSRYBROADI-VIFPVBQESA-N 1 2 248.305 2.411 10 0 BEAELO Cn1ccnc1C[NH2+][C@H]1CCCc2occc21 ZINC000051921353 384705319 /nfs/dbraw/zinc/70/53/19/384705319.db2.gz CTQAGHGTUCKQGQ-NSHDSACASA-N 1 2 231.299 2.180 10 0 BEAELO Cc1c(CNc2c[nH+]cc(C)c2)cnn1C ZINC000126299108 384789627 /nfs/dbraw/zinc/78/96/27/384789627.db2.gz DFRDEQBGZPCJJK-UHFFFAOYSA-N 1 2 216.288 2.044 10 0 BEAELO Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc[nH+]1 ZINC000156755192 384949016 /nfs/dbraw/zinc/94/90/16/384949016.db2.gz FVTKYTKFAJRFLG-UHTWSYAYSA-N 1 2 247.342 2.035 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1cc(NCC2CC2)[nH+]cn1 ZINC000301830062 384928188 /nfs/dbraw/zinc/92/81/88/384928188.db2.gz PMDLKCHAKLXUHK-SCZZXKLOSA-N 1 2 218.304 2.119 10 0 BEAELO C[C@@H]1C[C@@H]1Nc1cc(NCC2CC2)nc[nH+]1 ZINC000301830062 384928193 /nfs/dbraw/zinc/92/81/93/384928193.db2.gz PMDLKCHAKLXUHK-SCZZXKLOSA-N 1 2 218.304 2.119 10 0 BEAELO C[C@H]1C[C@H]1Nc1nc(N)c2ccccc2[nH+]1 ZINC000301898839 384940628 /nfs/dbraw/zinc/94/06/28/384940628.db2.gz XGNWGIORJIWEPS-OIBJUYFYSA-N 1 2 214.272 2.032 10 0 BEAELO CC(C)(C)SCC[N@@H+]1CCN2CCC[C@H]2C1 ZINC000370507002 384973308 /nfs/dbraw/zinc/97/33/08/384973308.db2.gz HQDMAUNFGDHIHP-LBPRGKRZSA-N 1 2 242.432 2.298 10 0 BEAELO CC(C)(C)SCC[N@H+]1CCN2CCC[C@H]2C1 ZINC000370507002 384973322 /nfs/dbraw/zinc/97/33/22/384973322.db2.gz HQDMAUNFGDHIHP-LBPRGKRZSA-N 1 2 242.432 2.298 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]Cc2ccns2)o1 ZINC000404413491 384980588 /nfs/dbraw/zinc/98/05/88/384980588.db2.gz BDMGVBSBJKFSAE-QMMMGPOBSA-N 1 2 223.301 2.290 10 0 BEAELO Cc1cnc([C@@H](C)[NH2+]Cc2conc2C)o1 ZINC000339394168 384987886 /nfs/dbraw/zinc/98/78/86/384987886.db2.gz PVKCXRNRDPPMTI-SECBINFHSA-N 1 2 221.260 2.130 10 0 BEAELO C[C@@H]([NH2+][C@@H]1CCCn2ncnc21)c1ccco1 ZINC000164748949 385038129 /nfs/dbraw/zinc/03/81/29/385038129.db2.gz LMVDKZQEYXSSIS-NXEZZACHSA-N 1 2 232.287 2.057 10 0 BEAELO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCn3ncnc32)o1 ZINC000164797724 385042038 /nfs/dbraw/zinc/04/20/38/385042038.db2.gz VGTYKOPVUQWTGB-WDEREUQCSA-N 1 2 246.314 2.365 10 0 BEAELO Cc1ccc([C@H](C)[NH2+][C@H]2CCCn3ncnc32)o1 ZINC000164797988 385042423 /nfs/dbraw/zinc/04/24/23/385042423.db2.gz VGTYKOPVUQWTGB-QWRGUYRKSA-N 1 2 246.314 2.365 10 0 BEAELO FC1(c2cscc2Br)C[NH2+]C1 ZINC000156390544 385042695 /nfs/dbraw/zinc/04/26/95/385042695.db2.gz LDWCKMLIMFGIGT-UHFFFAOYSA-N 1 2 236.109 2.279 10 0 BEAELO CCC1(CNC(=O)[C@@H]2CCCn3cc[nH+]c32)CC1 ZINC000178203988 385343438 /nfs/dbraw/zinc/34/34/38/385343438.db2.gz KXYAONCAOUODIY-LLVKDONJSA-N 1 2 247.342 2.067 10 0 BEAELO Cn1ccnc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000051173284 385445442 /nfs/dbraw/zinc/44/54/42/385445442.db2.gz XTFFJRZIVCPLCF-QMMMGPOBSA-N 1 2 227.720 2.183 10 0 BEAELO CC[C@H](C)C[N@@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197702 385608444 /nfs/dbraw/zinc/60/84/44/385608444.db2.gz JLZYPWPULJMKOW-UWVGGRQHSA-N 1 2 238.335 2.083 10 0 BEAELO CC[C@H](C)C[N@H+]1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000408197702 385608448 /nfs/dbraw/zinc/60/84/48/385608448.db2.gz JLZYPWPULJMKOW-UWVGGRQHSA-N 1 2 238.335 2.083 10 0 BEAELO FC(F)(F)c1c[nH+]c(NCc2ccco2)[nH]1 ZINC000336699796 385758837 /nfs/dbraw/zinc/75/88/37/385758837.db2.gz NASFFWKZUWRELZ-UHFFFAOYSA-N 1 2 231.177 2.056 10 0 BEAELO Clc1cncc([C@H]2[NH2+]CCCS2)c1 ZINC000575579758 386220328 /nfs/dbraw/zinc/22/03/28/386220328.db2.gz ZJGAARANLZRSQA-VIFPVBQESA-N 1 2 214.721 2.460 10 0 BEAELO Cn1ccnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116296324 386932205 /nfs/dbraw/zinc/93/22/05/386932205.db2.gz IQKDCTRKEJXTFA-LLVKDONJSA-N 1 2 231.299 2.350 10 0 BEAELO Cn1ccnc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116296324 386932211 /nfs/dbraw/zinc/93/22/11/386932211.db2.gz IQKDCTRKEJXTFA-LLVKDONJSA-N 1 2 231.299 2.350 10 0 BEAELO Cn1ccnc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116296327 386933453 /nfs/dbraw/zinc/93/34/53/386933453.db2.gz IQKDCTRKEJXTFA-NSHDSACASA-N 1 2 231.299 2.350 10 0 BEAELO Cn1ccnc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000116296327 386933457 /nfs/dbraw/zinc/93/34/57/386933457.db2.gz IQKDCTRKEJXTFA-NSHDSACASA-N 1 2 231.299 2.350 10 0 BEAELO CN(C[C@@H]1CCCCO1)c1cc[nH+]c(C2CC2)n1 ZINC000110260355 387060676 /nfs/dbraw/zinc/06/06/76/387060676.db2.gz APMCVIJBOJCRIN-LBPRGKRZSA-N 1 2 247.342 2.359 10 0 BEAELO Cc1nc(C[NH2+]Cc2ccoc2)cs1 ZINC000057998260 387153682 /nfs/dbraw/zinc/15/36/82/387153682.db2.gz UOJJLFBWGOCQHE-UHFFFAOYSA-N 1 2 208.286 2.334 10 0 BEAELO Cc1cc(C)c(NCC[NH+]2CCOCC2)c(C)c1 ZINC000032104126 177865550 /nfs/dbraw/zinc/86/55/50/177865550.db2.gz FEEOBCXKFZCMGA-UHFFFAOYSA-N 1 2 248.370 2.356 10 0 BEAELO COC(=O)[C@H]([NH2+]Cc1cccs1)C(C)(C)C ZINC000041051871 387959924 /nfs/dbraw/zinc/95/99/24/387959924.db2.gz BRFBLNUIWHCCJO-JTQLQIEISA-N 1 2 241.356 2.425 10 0 BEAELO Clc1ccc(NCc2[nH]cc[nH+]2)nc1 ZINC000070646499 388161104 /nfs/dbraw/zinc/16/11/04/388161104.db2.gz BCVWHXDFOYBXQL-UHFFFAOYSA-N 1 2 208.652 2.070 10 0 BEAELO Cc1csc([C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000134060984 388473929 /nfs/dbraw/zinc/47/39/29/388473929.db2.gz CPEYUULDKLGATO-JTQLQIEISA-N 1 2 226.345 2.233 10 0 BEAELO Cc1csc([C@@H]2C[N@@H+](C(C)C)CCO2)n1 ZINC000134060984 388473934 /nfs/dbraw/zinc/47/39/34/388473934.db2.gz CPEYUULDKLGATO-JTQLQIEISA-N 1 2 226.345 2.233 10 0 BEAELO CC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccccn1 ZINC000067803228 388407449 /nfs/dbraw/zinc/40/74/49/388407449.db2.gz RVESXZIXLXRJKV-ZDUSSCGKSA-N 1 2 242.326 2.314 10 0 BEAELO CC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccccn1 ZINC000067803228 388407453 /nfs/dbraw/zinc/40/74/53/388407453.db2.gz RVESXZIXLXRJKV-ZDUSSCGKSA-N 1 2 242.326 2.314 10 0 BEAELO Cc1csc(C(C)(C)[NH2+]Cc2cncnc2)n1 ZINC000116382659 388710194 /nfs/dbraw/zinc/71/01/94/388710194.db2.gz GLRIHZMQNSBOCX-UHFFFAOYSA-N 1 2 248.355 2.266 10 0 BEAELO C[C@H]1CN(c2ccc3cc(N)ccc3[nH+]2)CCO1 ZINC000035060494 132337565 /nfs/dbraw/zinc/33/75/65/132337565.db2.gz JRWZTXLMEYGIQY-JTQLQIEISA-N 1 2 243.310 2.042 10 0 BEAELO C[C@H]1COCCN1c1ccc2cc(N)ccc2[nH+]1 ZINC000035774252 132339019 /nfs/dbraw/zinc/33/90/19/132339019.db2.gz LYJQNAAYYAEWTN-JTQLQIEISA-N 1 2 243.310 2.042 10 0 BEAELO CC[C@@H]1CN(c2ccc([NH3+])cc2C)CCO1 ZINC000057549714 132365844 /nfs/dbraw/zinc/36/58/44/132365844.db2.gz CHNQPBNDDFYANL-GFCCVEGCSA-N 1 2 220.316 2.192 10 0 BEAELO C[C@@H]1CCC[C@@H](C)[NH+]1c1ccc(N)c(C(N)=O)c1 ZINC000058479242 132368305 /nfs/dbraw/zinc/36/83/05/132368305.db2.gz YCSKTYDPNADPQM-NXEZZACHSA-N 1 2 247.342 2.135 10 0 BEAELO Cc1cc([NH3+])ccc1N1CCOCC1(C)C ZINC000058681164 132368452 /nfs/dbraw/zinc/36/84/52/132368452.db2.gz IPDJGFTVDMQWOU-UHFFFAOYSA-N 1 2 220.316 2.192 10 0 BEAELO CC[C@@H]1CCCC[N@@H+]1c1ccc(N)cc1C(N)=O ZINC000058479315 132368486 /nfs/dbraw/zinc/36/84/86/132368486.db2.gz PQCNJRZUVYSNLO-LLVKDONJSA-N 1 2 247.342 2.137 10 0 BEAELO CC[C@@H]1CCCC[N@H+]1c1ccc(N)cc1C(N)=O ZINC000058479315 132368487 /nfs/dbraw/zinc/36/84/87/132368487.db2.gz PQCNJRZUVYSNLO-LLVKDONJSA-N 1 2 247.342 2.137 10 0 BEAELO Cc1cnc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000173398539 134274355 /nfs/dbraw/zinc/27/43/55/134274355.db2.gz JFSOPWYFRJROLW-GFCCVEGCSA-N 1 2 246.314 2.433 10 0 BEAELO Cc1cnc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000173398539 134274356 /nfs/dbraw/zinc/27/43/56/134274356.db2.gz JFSOPWYFRJROLW-GFCCVEGCSA-N 1 2 246.314 2.433 10 0 BEAELO c1csc(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000269681374 135166405 /nfs/dbraw/zinc/16/64/05/135166405.db2.gz TXDRZVSTRHMXGQ-QWRGUYRKSA-N 1 2 238.356 2.287 10 0 BEAELO c1csc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)n1 ZINC000269681374 135166406 /nfs/dbraw/zinc/16/64/06/135166406.db2.gz TXDRZVSTRHMXGQ-QWRGUYRKSA-N 1 2 238.356 2.287 10 0 BEAELO Nc1cccc2c1CCC[N@@H+]2CC[C@@H]1CCOC1 ZINC000261897167 135260744 /nfs/dbraw/zinc/26/07/44/135260744.db2.gz VEIVJZUGWLRFSR-GFCCVEGCSA-N 1 2 246.354 2.448 10 0 BEAELO Nc1cccc2c1CCC[N@H+]2CC[C@@H]1CCOC1 ZINC000261897167 135260745 /nfs/dbraw/zinc/26/07/45/135260745.db2.gz VEIVJZUGWLRFSR-GFCCVEGCSA-N 1 2 246.354 2.448 10 0 BEAELO Cc1nocc1C[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000334304856 135348362 /nfs/dbraw/zinc/34/83/62/135348362.db2.gz CGGDQEAZJDHVMG-CHWSQXEVSA-N 1 2 236.315 2.126 10 0 BEAELO Cc1nocc1C[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000334304856 135348364 /nfs/dbraw/zinc/34/83/64/135348364.db2.gz CGGDQEAZJDHVMG-CHWSQXEVSA-N 1 2 236.315 2.126 10 0 BEAELO CC(C)CCc1nc(N)c2c([nH+]1)CCC2 ZINC000050844770 166916255 /nfs/dbraw/zinc/91/62/55/166916255.db2.gz NCBXASJQOINYFZ-UHFFFAOYSA-N 1 2 205.305 2.136 10 0 BEAELO CC(C)Oc1ccc([NH2+]C[C@H](C)C(N)=O)cc1 ZINC000037227434 167296786 /nfs/dbraw/zinc/29/67/86/167296786.db2.gz GSCRWVGVUZIEQY-JTQLQIEISA-N 1 2 236.315 2.007 10 0 BEAELO CC(C)[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000177786701 167348405 /nfs/dbraw/zinc/34/84/05/167348405.db2.gz GLNPDINBCZWNJC-CHWSQXEVSA-N 1 2 249.358 2.166 10 0 BEAELO CC(C)n1cc[nH+]c1CS[C@H](C)[C@@H](C)O ZINC000266242127 167776768 /nfs/dbraw/zinc/77/67/68/167776768.db2.gz MUEKPJMPOXFYTK-NXEZZACHSA-N 1 2 228.361 2.467 10 0 BEAELO CC(C)[C@H](C)NC(=O)Cc1cn2ccccc2[nH+]1 ZINC000068376556 411305955 /nfs/dbraw/zinc/30/59/55/411305955.db2.gz YKKXHHKVZRGUSK-NSHDSACASA-N 1 2 245.326 2.038 10 0 BEAELO C[C@H]1CC[C@H](C)[N@H+](Cc2csnn2)C1 ZINC000127781954 411252412 /nfs/dbraw/zinc/25/24/12/411252412.db2.gz XKZIGYIRYRCFRP-IUCAKERBSA-N 1 2 211.334 2.159 10 0 BEAELO C[C@H]1CC[C@H](C)[N@@H+](Cc2csnn2)C1 ZINC000127781954 411252415 /nfs/dbraw/zinc/25/24/15/411252415.db2.gz XKZIGYIRYRCFRP-IUCAKERBSA-N 1 2 211.334 2.159 10 0 BEAELO Cc1nc(N[C@@H]2CNc3ccccc3C2)cc[nH+]1 ZINC000404440271 411396132 /nfs/dbraw/zinc/39/61/32/411396132.db2.gz JOJZSDHWVWAKIA-LBPRGKRZSA-N 1 2 240.310 2.234 10 0 BEAELO CCNC(=O)Cn1c(C)[nH+]c2cc(C)c(C)cc21 ZINC000040295604 170070666 /nfs/dbraw/zinc/07/06/66/170070666.db2.gz XIJLMQFZYJAWDN-UHFFFAOYSA-N 1 2 245.326 2.098 10 0 BEAELO CC[NH2+][C@@](C)(C(=O)OCC)c1ccc(C)cc1 ZINC000037447189 170154926 /nfs/dbraw/zinc/15/49/26/170154926.db2.gz CCZMLCXILMPGRR-CQSZACIVSA-N 1 2 235.327 2.383 10 0 BEAELO CCNc1cc(C)[nH+]c(C2CCOCC2)n1 ZINC000052177135 170172181 /nfs/dbraw/zinc/17/21/81/170172181.db2.gz VIQWLVPUVWOGIS-UHFFFAOYSA-N 1 2 221.304 2.111 10 0 BEAELO CCNc1cc(C[N@@H+]2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000052720723 170172475 /nfs/dbraw/zinc/17/24/75/170172475.db2.gz BXCYYTGETXVFPR-NWDGAFQWSA-N 1 2 249.358 2.123 10 0 BEAELO CCNc1cc(C[N@H+]2C[C@@H](C)OC[C@@H]2C)ccn1 ZINC000052720723 170172476 /nfs/dbraw/zinc/17/24/76/170172476.db2.gz BXCYYTGETXVFPR-NWDGAFQWSA-N 1 2 249.358 2.123 10 0 BEAELO CCNc1ccc(Cl)c(Cn2cc[nH+]c2)n1 ZINC000061639247 170173685 /nfs/dbraw/zinc/17/36/85/170173685.db2.gz MHOMUTJJSWHTOH-UHFFFAOYSA-N 1 2 236.706 2.412 10 0 BEAELO CCNc1[nH+]c2c(cc1C(N)=S)CCCC2 ZINC000043410751 170177317 /nfs/dbraw/zinc/17/73/17/170177317.db2.gz FXGGSDIDJCLBNX-UHFFFAOYSA-N 1 2 235.356 2.026 10 0 BEAELO CCOC(=O)C(C)(C)[NH2+]Cc1ccccc1C ZINC000102826621 170187463 /nfs/dbraw/zinc/18/74/63/170187463.db2.gz AYFFNGXUYACLHO-UHFFFAOYSA-N 1 2 235.327 2.426 10 0 BEAELO CCOC(=O)C[NH2+][C@H]1C[C@H]1C1CCCCC1 ZINC000365798102 170227120 /nfs/dbraw/zinc/22/71/20/170227120.db2.gz ULCFVZCPSIDJBY-RYUDHWBXSA-N 1 2 225.332 2.108 10 0 BEAELO CCOC(=O)[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000023187649 170274665 /nfs/dbraw/zinc/27/46/65/170274665.db2.gz YNGLWZKCCVNKOT-GFCCVEGCSA-N 1 2 221.300 2.175 10 0 BEAELO CCOC(=O)[C@](C)([NH3+])c1ccc(Cl)cc1 ZINC000033733056 170283724 /nfs/dbraw/zinc/28/37/24/170283724.db2.gz DZIFPXVMWNXTRN-LLVKDONJSA-N 1 2 227.691 2.077 10 0 BEAELO CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(C)[nH+]c1C ZINC000179273977 171376697 /nfs/dbraw/zinc/37/66/97/171376697.db2.gz LJPDAQDTFMAPKT-QPUJVOFHSA-N 1 2 236.315 2.044 10 0 BEAELO CCc1nc([C@H]([NH3+])c2ccc(C)s2)no1 ZINC000041676991 172007694 /nfs/dbraw/zinc/00/76/94/172007694.db2.gz NQLIOQZGNFEYKT-SECBINFHSA-N 1 2 223.301 2.050 10 0 BEAELO CCn1c(C)nnc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000182569705 172139191 /nfs/dbraw/zinc/13/91/91/172139191.db2.gz PTDYVZVKZXQBTH-JTQLQIEISA-N 1 2 248.330 2.359 10 0 BEAELO CCn1cc[nH+]c1CSc1ccncc1N ZINC000054743640 172225622 /nfs/dbraw/zinc/22/56/22/172225622.db2.gz FPJCHNZRKNUKGM-UHFFFAOYSA-N 1 2 234.328 2.173 10 0 BEAELO CCn1ccnc1[C@H]([NH2+]C)c1ccc(C)o1 ZINC000041048703 172230105 /nfs/dbraw/zinc/23/01/05/172230105.db2.gz YZQFUFQLKCCSLC-LLVKDONJSA-N 1 2 219.288 2.113 10 0 BEAELO CN1CCS/C1=C\C1=[NH+]C(=N)c2ccccc21 ZINC000038646331 173110796 /nfs/dbraw/zinc/11/07/96/173110796.db2.gz ZOMBCQOGUVQYSC-AJVUJFKDSA-N 1 2 243.335 2.335 10 0 BEAELO C[NH2+]Cc1nc(C)c(-c2ccc(C)cc2)[nH]1 ZINC000036877297 173395211 /nfs/dbraw/zinc/39/52/11/173395211.db2.gz PNWIHUXYDKOXCE-UHFFFAOYSA-N 1 2 215.300 2.413 10 0 BEAELO COC(=O)[C@@H]1CC[C@@H](c2ccccc2C)C[NH2+]1 ZINC000079026405 173731105 /nfs/dbraw/zinc/73/11/05/173731105.db2.gz DHMSYKCKJJPEIN-YPMHNXCESA-N 1 2 233.311 2.004 10 0 BEAELO COCC[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000336763087 174338577 /nfs/dbraw/zinc/33/85/77/174338577.db2.gz LXGNPSUTUSCBHT-NSHDSACASA-N 1 2 229.270 2.099 10 0 BEAELO COC[C@H](C)[N@H+](C)CC(=O)c1ccccc1C ZINC000042518901 174537169 /nfs/dbraw/zinc/53/71/69/174537169.db2.gz FGYFMGVRVGHHLK-LBPRGKRZSA-N 1 2 235.327 2.144 10 0 BEAELO COC[C@H](C)[N@@H+](C)CC(=O)c1ccccc1C ZINC000042518901 174537171 /nfs/dbraw/zinc/53/71/71/174537171.db2.gz FGYFMGVRVGHHLK-LBPRGKRZSA-N 1 2 235.327 2.144 10 0 BEAELO COc1ccc(-c2cc(N)nc(C)[nH+]2)cc1 ZINC000001736160 175031575 /nfs/dbraw/zinc/03/15/75/175031575.db2.gz HNASNFXTZJHGEG-UHFFFAOYSA-N 1 2 215.256 2.043 10 0 BEAELO COc1ccc([NH2+]C[C@@H]2CCOC2)c(C)c1 ZINC000061565814 175151695 /nfs/dbraw/zinc/15/16/95/175151695.db2.gz QWNRXMCJNCSXOI-NSHDSACASA-N 1 2 221.300 2.452 10 0 BEAELO COc1ccc(NCc2c[nH+]c[nH]2)cc1F ZINC000054764041 175151751 /nfs/dbraw/zinc/15/17/51/175151751.db2.gz NZGZRUQTPHRQHU-UHFFFAOYSA-N 1 2 221.235 2.170 10 0 BEAELO COc1ccc(NCc2c[nH]c[nH+]2)cc1F ZINC000054764041 175151752 /nfs/dbraw/zinc/15/17/52/175151752.db2.gz NZGZRUQTPHRQHU-UHFFFAOYSA-N 1 2 221.235 2.170 10 0 BEAELO COc1ccc(Oc2cc[nH+]cc2)c(N)c1 ZINC000036667204 175173991 /nfs/dbraw/zinc/17/39/91/175173991.db2.gz ZBABIOCQJNVSHV-UHFFFAOYSA-N 1 2 216.240 2.465 10 0 BEAELO COc1cccc(NCc2c[nH+]c(C)[nH]2)c1 ZINC000054798135 175279273 /nfs/dbraw/zinc/27/92/73/175279273.db2.gz OIRCRKIFYZJJDU-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1cccc(NCc2c[nH]c(C)[nH+]2)c1 ZINC000054798135 175279275 /nfs/dbraw/zinc/27/92/75/175279275.db2.gz OIRCRKIFYZJJDU-UHFFFAOYSA-N 1 2 217.272 2.339 10 0 BEAELO COc1ccccc1[C@@H]([NH3+])c1noc(C(C)C)n1 ZINC000036763648 175347054 /nfs/dbraw/zinc/34/70/54/175347054.db2.gz XAHODRWZXQBQBJ-LLVKDONJSA-N 1 2 247.298 2.250 10 0 BEAELO C[C@@H](c1ccccn1)[N@@H+]1CCC(=O)[C@H](C)C1 ZINC000049693732 176027618 /nfs/dbraw/zinc/02/76/18/176027618.db2.gz QHULROLQMGRQAQ-MNOVXSKESA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H](c1ccccn1)[N@H+]1CCC(=O)[C@H](C)C1 ZINC000049693732 176027620 /nfs/dbraw/zinc/02/76/20/176027620.db2.gz QHULROLQMGRQAQ-MNOVXSKESA-N 1 2 218.300 2.054 10 0 BEAELO C[C@@H]1CC(Nc2cccc[nH+]2)C[C@@H](C)O1 ZINC000301980139 176055565 /nfs/dbraw/zinc/05/55/65/176055565.db2.gz XNZPHHNAFFJHDZ-NXEZZACHSA-N 1 2 206.289 2.450 10 0 BEAELO C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)CC1=O ZINC000068592970 176362773 /nfs/dbraw/zinc/36/27/73/176362773.db2.gz LLKQSLKJBCYCMG-VXGBXAGGSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)CC1=O ZINC000068592970 176362774 /nfs/dbraw/zinc/36/27/74/176362774.db2.gz LLKQSLKJBCYCMG-VXGBXAGGSA-N 1 2 217.312 2.486 10 0 BEAELO C[C@H](O)c1c[nH+]c2cc(Br)ccn21 ZINC000082695005 177017731 /nfs/dbraw/zinc/01/77/31/177017731.db2.gz NFGGVLRMNPHIRN-LURJTMIESA-N 1 2 241.088 2.150 10 0 BEAELO C[C@H](O)c1ccccc1NCc1[nH]cc[nH+]1 ZINC000049715729 177018158 /nfs/dbraw/zinc/01/81/58/177018158.db2.gz UCBAZYXUQNVHLZ-VIFPVBQESA-N 1 2 217.272 2.075 10 0 BEAELO C[C@H]([C@@H]1CCCO1)n1c(N)[nH+]c2c1cccc2F ZINC000037421505 177030643 /nfs/dbraw/zinc/03/06/43/177030643.db2.gz VMOQBASQKFOOPV-KCJUWKMLSA-N 1 2 249.289 2.498 10 0 BEAELO C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C[NH3+])c2ccco2)C1 ZINC000022221271 177314252 /nfs/dbraw/zinc/31/42/52/177314252.db2.gz VVOOBECOVUXKAR-TUAOUCFPSA-N 1 2 222.332 2.257 10 0 BEAELO C[C@H](CO)C[N@@H+]1CCCCc2ccccc21 ZINC000121457325 490092572 /nfs/dbraw/zinc/09/25/72/490092572.db2.gz NAYLFBKEVONMSB-LBPRGKRZSA-N 1 2 219.328 2.458 10 0 BEAELO C[C@H](CO)C[N@H+]1CCCCc2ccccc21 ZINC000121457325 490092573 /nfs/dbraw/zinc/09/25/73/490092573.db2.gz NAYLFBKEVONMSB-LBPRGKRZSA-N 1 2 219.328 2.458 10 0 BEAELO CCc1cc(N[C@@](C)(CC)CCO)nc[nH+]1 ZINC000230216838 491128689 /nfs/dbraw/zinc/12/86/89/491128689.db2.gz ZLLUDGYVZRXGCC-LBPRGKRZSA-N 1 2 223.320 2.002 10 0 BEAELO CCCn1ccnc1C[NH2+]Cc1ccco1 ZINC000022863522 521663049 /nfs/dbraw/zinc/66/30/49/521663049.db2.gz OXTRMJQYEMYZHG-UHFFFAOYSA-N 1 2 219.288 2.176 10 0 BEAELO Cc1cccc(N2[NH2+]C[C@H]3C(=O)CCC[C@H]32)c1C ZINC000261507364 524569719 /nfs/dbraw/zinc/56/97/19/524569719.db2.gz HTPYWUSNYJOEHF-TZMCWYRMSA-N 1 2 244.338 2.366 10 0 BEAELO Cc1ccc([C@H]2[NH2+]CCc3ccoc32)o1 ZINC000703088477 582930796 /nfs/dbraw/zinc/93/07/96/582930796.db2.gz JOQBRJNLCHMEMM-LLVKDONJSA-N 1 2 203.241 2.416 10 0 BEAELO O=C1CC[NH2+][C@H]1c1ccc(C(F)(F)F)cc1 ZINC000725256759 538059630 /nfs/dbraw/zinc/05/96/30/538059630.db2.gz PBZBZEDJXQJNOV-JTQLQIEISA-N 1 2 229.201 2.309 10 0 BEAELO Cn1nccc1-c1cc(N)c2cc(F)ccc2[nH+]1 ZINC000725257735 538067583 /nfs/dbraw/zinc/06/75/83/538067583.db2.gz WSFMHOKOBGTUJY-UHFFFAOYSA-N 1 2 242.257 2.357 10 0 BEAELO CCC[C@@H](C)c1nc2[nH]ccc2c(N)[nH+]1 ZINC000757569670 586376732 /nfs/dbraw/zinc/37/67/32/586376732.db2.gz UVZJMFVHQSWFDC-SSDOTTSWSA-N 1 2 204.277 2.395 10 0 BEAELO CCc1nc2[nH]ccc2c(NC2CC2)[nH+]1 ZINC000757563966 586461093 /nfs/dbraw/zinc/46/10/93/586461093.db2.gz ALARLIZBEYHPIA-UHFFFAOYSA-N 1 2 202.261 2.095 10 0 BEAELO CCCc1nc2[nH]ccc2c(NCC)[nH+]1 ZINC000757568885 586462049 /nfs/dbraw/zinc/46/20/49/586462049.db2.gz RWVYKMYBQFIEJC-UHFFFAOYSA-N 1 2 204.277 2.294 10 0 BEAELO CCOC(=O)C(C)(C)[NH2+]CCc1cccs1 ZINC000118863326 589199585 /nfs/dbraw/zinc/19/95/85/589199585.db2.gz PJFIDKFQFLMSDL-UHFFFAOYSA-N 1 2 241.356 2.222 10 0 BEAELO CN(C)c1ccc(NCc2ccoc2)[nH+]c1 ZINC000124576470 590059329 /nfs/dbraw/zinc/05/93/29/590059329.db2.gz DZEVBJKFSGUAOF-UHFFFAOYSA-N 1 2 217.272 2.353 10 0 BEAELO C[C@@H](O)c1ccc(N2CCC[C@@H]2C)[nH+]c1 ZINC000124920967 590102220 /nfs/dbraw/zinc/10/22/20/590102220.db2.gz BYAJPJJWNFIQAN-VHSXEESVSA-N 1 2 206.289 2.124 10 0 BEAELO C[C@@H](O)c1ccc(N2C[C@H](C)[C@H](C)C2)[nH+]c1 ZINC000124945514 590102822 /nfs/dbraw/zinc/10/28/22/590102822.db2.gz PVXBIHAUUMMMFM-OUAUKWLOSA-N 1 2 220.316 2.227 10 0 BEAELO C[N@@H+](C/C(Cl)=C/Cl)C[C@H]1CCCO1 ZINC000125994927 590203821 /nfs/dbraw/zinc/20/38/21/590203821.db2.gz WSVMIMMGXSZPOK-BZJXQOFCSA-N 1 2 224.131 2.416 10 0 BEAELO C[N@H+](C/C(Cl)=C/Cl)C[C@H]1CCCO1 ZINC000125994927 590203823 /nfs/dbraw/zinc/20/38/23/590203823.db2.gz WSVMIMMGXSZPOK-BZJXQOFCSA-N 1 2 224.131 2.416 10 0 BEAELO C[C@@H](O)c1ccc(N(C)C2CCC2)[nH+]c1 ZINC000127605920 590722894 /nfs/dbraw/zinc/72/28/94/590722894.db2.gz WEXJVQVMZHXIIB-SECBINFHSA-N 1 2 206.289 2.124 10 0 BEAELO COC[C@H](C)C[NH2+]c1ccc(OC)cc1OC ZINC000131670433 591636864 /nfs/dbraw/zinc/63/68/64/591636864.db2.gz AXAJIPORRAGDJA-SNVBAGLBSA-N 1 2 239.315 2.398 10 0 BEAELO CC[N@@H+]1CCC[C@@H](N[C@H]2CCc3cccnc32)C1 ZINC000299928143 634402935 /nfs/dbraw/zinc/40/29/35/634402935.db2.gz DJWZYRWAMKQSIS-KGLIPLIRSA-N 1 2 245.370 2.143 10 0 BEAELO CC[N@H+]1CCC[C@@H](N[C@H]2CCc3cccnc32)C1 ZINC000299928143 634402938 /nfs/dbraw/zinc/40/29/38/634402938.db2.gz DJWZYRWAMKQSIS-KGLIPLIRSA-N 1 2 245.370 2.143 10 0 BEAELO c1cc2c([nH]1)CCC[C@@H]2[NH2+]Cc1csnn1 ZINC000309414628 633037711 /nfs/dbraw/zinc/03/77/11/633037711.db2.gz YMMURMFKSLHPMK-NSHDSACASA-N 1 2 234.328 2.033 10 0 BEAELO Cc1cnc([C@H](C)[NH2+]C/C=C/Cl)o1 ZINC000230647394 641076218 /nfs/dbraw/zinc/07/62/18/641076218.db2.gz SLXIUSQXRBAUQW-RTMURIBGSA-N 1 2 200.669 2.386 10 0 BEAELO CCC[C@H]1C[C@H]1Nc1cc(NC)nc[nH+]1 ZINC000233431416 642669414 /nfs/dbraw/zinc/66/94/14/642669414.db2.gz NUXQBZQNDXVBMX-DTWKUNHWSA-N 1 2 206.293 2.119 10 0 BEAELO CC[C@H]1CC[N@@H+]1Cc1cnc(Cl)cn1 ZINC000725648533 711668617 /nfs/dbraw/zinc/66/86/17/711668617.db2.gz QARHELFKIRZGMP-VIFPVBQESA-N 1 2 211.696 2.114 10 0 BEAELO CC[C@H]1CC[N@H+]1Cc1cnc(Cl)cn1 ZINC000725648533 711668618 /nfs/dbraw/zinc/66/86/18/711668618.db2.gz QARHELFKIRZGMP-VIFPVBQESA-N 1 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