smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@H]1C2(Cl)Cl ZINC000284544185 455703337 /nfs/dbraw/zinc/70/33/37/455703337.db2.gz VRQCNINALBQDMH-KGLIPLIRSA-N 1 1 330.211 3.137 20 10 EGCDMO C[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192863815 455708178 /nfs/dbraw/zinc/70/81/78/455708178.db2.gz VFTCRPOZTBPDQI-NSHDSACASA-N 1 1 347.286 3.460 20 10 EGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000264636434 455253804 /nfs/dbraw/zinc/25/38/04/455253804.db2.gz VACMYGYOHRVWJZ-LBPRGKRZSA-N 1 1 335.448 3.278 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000264741224 455274296 /nfs/dbraw/zinc/27/42/96/455274296.db2.gz UATRPMUFHKBMBB-AZUAARDMSA-N 1 1 345.414 3.246 20 10 EGCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H]2c2cccs2)cc1 ZINC000007216301 453047215 /nfs/dbraw/zinc/04/72/15/453047215.db2.gz WPXVAPYNXOWXIO-KRWDZBQOSA-N 1 1 343.496 3.267 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000066703923 453864299 /nfs/dbraw/zinc/86/42/99/453864299.db2.gz FHAIIVFNVIRIJF-UHFFFAOYSA-N 1 1 333.476 3.188 20 10 EGCDMO COc1ccc(N2CCC[N@H+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000075643584 453914451 /nfs/dbraw/zinc/91/44/51/453914451.db2.gz KOGZRYXHKDUWLM-UHFFFAOYSA-N 1 1 331.847 3.456 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3cccc(Cl)n3)CC2)cc1 ZINC000075643584 453914452 /nfs/dbraw/zinc/91/44/52/453914452.db2.gz KOGZRYXHKDUWLM-UHFFFAOYSA-N 1 1 331.847 3.456 20 10 EGCDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1CCOCC1 ZINC000076118421 453967165 /nfs/dbraw/zinc/96/71/65/453967165.db2.gz ADDRZJRLEOWZBD-UHFFFAOYSA-N 1 1 328.250 3.403 20 10 EGCDMO CC(C)N(C(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000070976190 454191371 /nfs/dbraw/zinc/19/13/71/454191371.db2.gz ROPNMEPDDKNRLK-SFHVURJKSA-N 1 1 348.487 3.019 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCC2CCOCC2)c1O ZINC000120689837 454334624 /nfs/dbraw/zinc/33/46/24/454334624.db2.gz PIWPBRMNZQJSPM-UHFFFAOYSA-N 1 1 325.836 3.497 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC2CCOCC2)c1O ZINC000120689837 454334625 /nfs/dbraw/zinc/33/46/25/454334625.db2.gz PIWPBRMNZQJSPM-UHFFFAOYSA-N 1 1 325.836 3.497 20 10 EGCDMO CC[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968930 454382069 /nfs/dbraw/zinc/38/20/69/454382069.db2.gz AVTVETHSZXOEBV-DYESRHJHSA-N 1 1 345.531 3.294 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000091855744 454482057 /nfs/dbraw/zinc/48/20/57/454482057.db2.gz DYKCNBKTUZJOLJ-OALUTQOASA-N 1 1 332.513 3.383 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091926330 454490022 /nfs/dbraw/zinc/49/00/22/454490022.db2.gz JKDSTJIVCJYFLQ-VQTJNVASSA-N 1 1 330.472 3.057 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000091926330 454490026 /nfs/dbraw/zinc/49/00/26/454490026.db2.gz JKDSTJIVCJYFLQ-VQTJNVASSA-N 1 1 330.472 3.057 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1cccc(C(N)=O)c1 ZINC000051476344 454626282 /nfs/dbraw/zinc/62/62/82/454626282.db2.gz WUWRIOCTIFTEEE-UHFFFAOYSA-N 1 1 337.467 3.408 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C(=O)C(C)C)CC2)cc1 ZINC000123626252 454658593 /nfs/dbraw/zinc/65/85/93/454658593.db2.gz DURTZHQPGWNGFQ-UHFFFAOYSA-N 1 1 331.504 3.223 20 10 EGCDMO CCC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1O ZINC000124036914 454695705 /nfs/dbraw/zinc/69/57/05/454695705.db2.gz OMQNJXYODKNCFV-UHFFFAOYSA-N 1 1 347.484 3.098 20 10 EGCDMO CCC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)Cc1ccccc1O ZINC000177037232 454814677 /nfs/dbraw/zinc/81/46/77/454814677.db2.gz MXBLDSYZZDNEOY-UHFFFAOYSA-N 1 1 345.418 3.354 20 10 EGCDMO CCOc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000112583578 454891775 /nfs/dbraw/zinc/89/17/75/454891775.db2.gz WTRLMKVUYVYIRY-CQSZACIVSA-N 1 1 328.412 3.250 20 10 EGCDMO C[C@H](NCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178409659 454953367 /nfs/dbraw/zinc/95/33/67/454953367.db2.gz CNEYTBJOLNBBDL-KRWDZBQOSA-N 1 1 349.494 3.189 20 10 EGCDMO Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3O)CC2)c1 ZINC000179566750 455058432 /nfs/dbraw/zinc/05/84/32/455058432.db2.gz ZPLMDSMWBIEBRM-UHFFFAOYSA-N 1 1 325.412 3.050 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000179569074 455058750 /nfs/dbraw/zinc/05/87/50/455058750.db2.gz VUTSSIQARPXISE-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC000179569074 455058755 /nfs/dbraw/zinc/05/87/55/455058755.db2.gz VUTSSIQARPXISE-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO O=C(c1ccc(Cl)cc1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179562969 455058773 /nfs/dbraw/zinc/05/87/73/455058773.db2.gz WSIUBDCDOSDZSD-UHFFFAOYSA-N 1 1 344.842 3.394 20 10 EGCDMO CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(F)ccc1O ZINC000179884552 455094136 /nfs/dbraw/zinc/09/41/36/455094136.db2.gz OCJVANZYMQHPPW-UHFFFAOYSA-N 1 1 346.402 3.391 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c(O)c1 ZINC000129483408 455113798 /nfs/dbraw/zinc/11/37/98/455113798.db2.gz IQCLUFUUYRFIHR-UHFFFAOYSA-N 1 1 346.393 3.251 20 10 EGCDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cc(F)ccc1O ZINC000180072753 455126864 /nfs/dbraw/zinc/12/68/64/455126864.db2.gz RKWSIJLIQMNRQE-UHFFFAOYSA-N 1 1 330.403 3.255 20 10 EGCDMO Oc1ccc(Br)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129893491 455133006 /nfs/dbraw/zinc/13/30/06/455133006.db2.gz JBMADRUOXQAXPY-LLVKDONJSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1ccc2ccccc2c1C[NH+]1CCN(CC2CCOCC2)CC1 ZINC000172407414 455151845 /nfs/dbraw/zinc/15/18/45/455151845.db2.gz OKIDYCWFNRWMDG-UHFFFAOYSA-N 1 1 340.467 3.090 20 10 EGCDMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271447707 455640315 /nfs/dbraw/zinc/64/03/15/455640315.db2.gz DCYIKQBQGNQMLP-ORYQWCPZSA-N 1 1 345.531 3.171 20 10 EGCDMO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271447707 455640320 /nfs/dbraw/zinc/64/03/20/455640320.db2.gz DCYIKQBQGNQMLP-ORYQWCPZSA-N 1 1 345.531 3.171 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000268311388 455647759 /nfs/dbraw/zinc/64/77/59/455647759.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N 1 1 347.386 3.415 20 10 EGCDMO Cc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)ccc1N(C)C ZINC000292735847 455743808 /nfs/dbraw/zinc/74/38/08/455743808.db2.gz GYVCMPUMLCHPNF-HSZRJFAPSA-N 1 1 330.497 3.430 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1O ZINC000271902591 455797891 /nfs/dbraw/zinc/79/78/91/455797891.db2.gz ZPBJJGCUMYPPLJ-BXUZGUMPSA-N 1 1 328.250 3.198 20 10 EGCDMO Oc1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293830623 455798636 /nfs/dbraw/zinc/79/86/36/455798636.db2.gz GLOHHKLOOPUNER-CQSZACIVSA-N 1 1 326.234 3.034 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000294527561 455819360 /nfs/dbraw/zinc/81/93/60/455819360.db2.gz GSNYCCIZRNXRGM-MRXNPFEDSA-N 1 1 343.496 3.082 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186696114 455821218 /nfs/dbraw/zinc/82/12/18/455821218.db2.gz ZGQMLBCKTRWWEA-FQEVSTJZSA-N 1 1 341.382 3.365 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](CCO)C3CCCCC3)cc2)CC1 ZINC000294845710 455830219 /nfs/dbraw/zinc/83/02/19/455830219.db2.gz ALMHWJVALRKONN-UHFFFAOYSA-N 1 1 346.515 3.429 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278525700 455838954 /nfs/dbraw/zinc/83/89/54/455838954.db2.gz TVQWVUDLNBEKOU-LSDHHAIUSA-N 1 1 328.368 3.030 20 10 EGCDMO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1nc(C(F)(F)F)cs1 ZINC000278597554 455841528 /nfs/dbraw/zinc/84/15/28/455841528.db2.gz BWFRWNPDOGPGJN-SSDOTTSWSA-N 1 1 346.330 3.447 20 10 EGCDMO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278886341 455851358 /nfs/dbraw/zinc/85/13/58/455851358.db2.gz OWWUPLYHLYOOIT-LLVKDONJSA-N 1 1 332.356 3.168 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCCC[C@H]3C[C@H](C)O)cc2)CC1 ZINC000295977488 455865892 /nfs/dbraw/zinc/86/58/92/455865892.db2.gz KXBPOTDIUWZVMH-PXNSSMCTSA-N 1 1 346.515 3.427 20 10 EGCDMO CC[C@H]([NH2+]CCn1cc(Br)cn1)c1ccc(F)cc1O ZINC000285736233 455906403 /nfs/dbraw/zinc/90/64/03/455906403.db2.gz RBAWQXHMVUBWEE-ZDUSSCGKSA-N 1 1 342.212 3.231 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@]2(CCOC2)O1 ZINC000280325446 455947582 /nfs/dbraw/zinc/94/75/82/455947582.db2.gz QSDNKZOIUNKZAI-KKSFZXQISA-N 1 1 339.435 3.439 20 10 EGCDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccccc1O ZINC000289377954 456122630 /nfs/dbraw/zinc/12/26/30/456122630.db2.gz CAYJJYMUXPATBE-LJQANCHMSA-N 1 1 325.456 3.274 20 10 EGCDMO COCC[N@@H+](Cc1cccnc1)Cc1cc(Cl)cc(OC)c1O ZINC000289445657 456125406 /nfs/dbraw/zinc/12/54/06/456125406.db2.gz MKKXBGBNSTZUHB-UHFFFAOYSA-N 1 1 336.819 3.098 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000271105292 456127617 /nfs/dbraw/zinc/12/76/17/456127617.db2.gz RIAVFPDRXWGPTF-UHFFFAOYSA-N 1 1 340.423 3.054 20 10 EGCDMO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2=O)cc1 ZINC000189088624 456223004 /nfs/dbraw/zinc/22/30/04/456223004.db2.gz VBACMGYFODPMSM-RDTXWAMCSA-N 1 1 342.414 3.291 20 10 EGCDMO CCc1nc(CC[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cs1 ZINC000273361068 456225659 /nfs/dbraw/zinc/22/56/59/456225659.db2.gz AKIRFTRDFAJUTJ-NSHDSACASA-N 1 1 334.441 3.091 20 10 EGCDMO OC[C@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000290073684 456233512 /nfs/dbraw/zinc/23/35/12/456233512.db2.gz FXYODKYIDOOMFY-IBGZPJMESA-N 1 1 333.378 3.098 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)c1 ZINC000273486900 456235464 /nfs/dbraw/zinc/23/54/64/456235464.db2.gz NKPCIKHGVMEXCG-MZTNWIODSA-N 1 1 345.439 3.177 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000273554513 456237851 /nfs/dbraw/zinc/23/78/51/456237851.db2.gz GQTAJRBOZBCZDZ-OLZOCXBDSA-N 1 1 329.396 3.166 20 10 EGCDMO C[C@H]1CN(c2ccccc2CNc2ccc3c(c2)[nH+]cn3C)CCO1 ZINC000297639104 456268422 /nfs/dbraw/zinc/26/84/22/456268422.db2.gz MNJILSVKNUVSTP-HNNXBMFYSA-N 1 1 336.439 3.411 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000291262377 456583203 /nfs/dbraw/zinc/58/32/03/456583203.db2.gz NBHAFCWHPXARBU-FQEVSTJZSA-N 1 1 328.431 3.028 20 10 EGCDMO CNC(=O)c1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)cc1 ZINC000299196801 456631271 /nfs/dbraw/zinc/63/12/71/456631271.db2.gz OZDXJHBOBOBLOU-UHFFFAOYSA-N 1 1 337.467 3.277 20 10 EGCDMO CC(C)[N@@H+](C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299504699 456714107 /nfs/dbraw/zinc/71/41/07/456714107.db2.gz OZVIEFPRMHHZQD-UHFFFAOYSA-N 1 1 343.471 3.215 20 10 EGCDMO Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000301220014 456825097 /nfs/dbraw/zinc/82/50/97/456825097.db2.gz ADABNMXOFASISH-OAHLLOKOSA-N 1 1 332.835 3.221 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1cc(Br)ccc1[O-] ZINC000370396123 457637641 /nfs/dbraw/zinc/63/76/41/457637641.db2.gz KHSHUEQNVCLUSE-JOYOIKCWSA-N 1 1 336.233 3.086 20 10 EGCDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000367690771 457972485 /nfs/dbraw/zinc/97/24/85/457972485.db2.gz ZJXCDNUJDYRIPJ-WOJBJXKFSA-N 1 1 344.499 3.162 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666013 459833143 /nfs/dbraw/zinc/83/31/43/459833143.db2.gz IRRMPQURUBKDKF-IBGZPJMESA-N 1 1 327.424 3.297 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666014 459833286 /nfs/dbraw/zinc/83/32/86/459833286.db2.gz IRRMPQURUBKDKF-LJQANCHMSA-N 1 1 327.424 3.297 20 10 EGCDMO Cc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000727742076 574688056 /nfs/dbraw/zinc/68/80/56/574688056.db2.gz XLTNWKKJHUTATC-AWEZNQCLSA-N 1 1 343.446 3.446 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccccc1C ZINC000727830955 574692967 /nfs/dbraw/zinc/69/29/67/574692967.db2.gz YAINEKAWFQXVSR-SFHVURJKSA-N 1 1 329.440 3.353 20 10 EGCDMO C[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000729685947 574879368 /nfs/dbraw/zinc/87/93/68/574879368.db2.gz OTTJFNLXPAQCCT-HNNXBMFYSA-N 1 1 346.475 3.157 20 10 EGCDMO C[C@@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000729685947 574879371 /nfs/dbraw/zinc/87/93/71/574879371.db2.gz OTTJFNLXPAQCCT-HNNXBMFYSA-N 1 1 346.475 3.157 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000734520677 575507319 /nfs/dbraw/zinc/50/73/19/575507319.db2.gz JALSTONEHBKQQA-IAGOWNOFSA-N 1 1 346.519 3.123 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000741723391 576713593 /nfs/dbraw/zinc/71/35/93/576713593.db2.gz DIUAZDKRIOCQSH-FUHWJXTLSA-N 1 1 325.456 3.307 20 10 EGCDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725031 576714171 /nfs/dbraw/zinc/71/41/71/576714171.db2.gz QRSGUMWMPODZIN-DYVFJYSZSA-N 1 1 343.446 3.446 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000741754885 576717474 /nfs/dbraw/zinc/71/74/74/576717474.db2.gz ZVSDJGZQQHHCKD-BBTUJRGHSA-N 1 1 345.531 3.216 20 10 EGCDMO C[C@H]1CCCN1C(=O)CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000743261938 576804554 /nfs/dbraw/zinc/80/45/54/576804554.db2.gz KHECYRFVSBXDJV-INIZCTEOSA-N 1 1 329.488 3.118 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000743869820 576817890 /nfs/dbraw/zinc/81/78/90/576817890.db2.gz BOMIFILKAYPNNU-BRWVUGGUSA-N 1 1 332.488 3.497 20 10 EGCDMO COc1ccc(C[NH2+]Cc2cc(C(C)C)no2)cc1Cn1cccn1 ZINC000873050885 1297246534 /nfs/dbraw/zinc/24/65/34/1297246534.db2.gz VYWRZPHZWQWPJQ-UHFFFAOYSA-N 1 1 340.427 3.341 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1csnn1)c1cc(Br)ccc1O ZINC000840886041 1321171291 /nfs/dbraw/zinc/17/12/91/1321171291.db2.gz MGHZIWKDXFSFJV-SFYZADRCSA-N 1 1 328.235 3.418 20 10 EGCDMO CC(C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571597 1291153054 /nfs/dbraw/zinc/15/30/54/1291153054.db2.gz VJVSAAMKGNSRTP-KRWDZBQOSA-N 1 1 331.504 3.269 20 10 EGCDMO CC(C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000015571597 1291153063 /nfs/dbraw/zinc/15/30/63/1291153063.db2.gz VJVSAAMKGNSRTP-KRWDZBQOSA-N 1 1 331.504 3.269 20 10 EGCDMO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cc2c(cc1O)OCO2 ZINC000057103857 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C[C@@H]1C[N@@H+](C)[C@H](C)CN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000775984359 1304074901 /nfs/dbraw/zinc/07/49/01/1304074901.db2.gz FQOLNTDDIULJFJ-HZPDHXFCSA-N 1 1 346.475 3.110 20 10 EGCDMO CCOc1ccccc1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000778989603 1304514976 /nfs/dbraw/zinc/51/49/76/1304514976.db2.gz ZHKJHTFAVAAKBB-UHFFFAOYSA-N 1 1 330.403 3.252 20 10 EGCDMO COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000779033392 1304521225 /nfs/dbraw/zinc/52/12/25/1304521225.db2.gz MEPWBNZWQVTTRL-UHFFFAOYSA-N 1 1 331.387 3.487 20 10 EGCDMO CN(C)CC[N@@H+](Cc1cc(Br)ccc1O)C1CCCC1 ZINC000779171415 1304538545 /nfs/dbraw/zinc/53/85/45/1304538545.db2.gz JGDAFWGTOODCSR-UHFFFAOYSA-N 1 1 341.293 3.461 20 10 EGCDMO CN(CC[NH+]1CCOCC1)c1ccc(OCc2ccccc2)cc1 ZINC000781962943 1304896035 /nfs/dbraw/zinc/89/60/35/1304896035.db2.gz FHUUEYQGEQZWRB-UHFFFAOYSA-N 1 1 326.440 3.034 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000891776237 1305161797 /nfs/dbraw/zinc/16/17/97/1305161797.db2.gz YKELFSRQNDMNEC-UHFFFAOYSA-N 1 1 330.403 3.252 20 10 EGCDMO CC(C)[C@H](F)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442016 1305244913 /nfs/dbraw/zinc/24/49/13/1305244913.db2.gz KOKJKSSPRLGQKX-ZBFHGGJFSA-N 1 1 342.842 3.120 20 10 EGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000785988891 1305486026 /nfs/dbraw/zinc/48/60/26/1305486026.db2.gz QRMACQIDYWKRQS-JTNHKYCSSA-N 1 1 328.250 3.136 20 10 EGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Br)c1O ZINC000785988891 1305486031 /nfs/dbraw/zinc/48/60/31/1305486031.db2.gz QRMACQIDYWKRQS-JTNHKYCSSA-N 1 1 328.250 3.136 20 10 EGCDMO NC(=O)[C@@H]1[C@@H]2CCC[C@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422665 1305742836 /nfs/dbraw/zinc/74/28/36/1305742836.db2.gz IJLKWSUALBWGPN-HQRMLTQVSA-N 1 1 336.435 3.145 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275831 1305912709 /nfs/dbraw/zinc/91/27/09/1305912709.db2.gz OMKQZJWHBGIRKF-CXAGYDPISA-N 1 1 344.430 3.179 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275831 1305912713 /nfs/dbraw/zinc/91/27/13/1305912713.db2.gz OMKQZJWHBGIRKF-CXAGYDPISA-N 1 1 344.430 3.179 20 10 EGCDMO COC1CCN(CC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788624951 1305986157 /nfs/dbraw/zinc/98/61/57/1305986157.db2.gz IKOWNPCZTTTYGP-GFCCVEGCSA-N 1 1 346.393 3.172 20 10 EGCDMO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cccc(C(F)(F)F)c1O ZINC000788652248 1305990858 /nfs/dbraw/zinc/99/08/58/1305990858.db2.gz PCGYRMQEDJYHER-JTQLQIEISA-N 1 1 342.317 3.085 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](C)CCCCCO)c(C)n1-c1ccccc1 ZINC000789339799 1306143451 /nfs/dbraw/zinc/14/34/51/1306143451.db2.gz GXJLBDWDJHWONK-UHFFFAOYSA-N 1 1 328.456 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](C)CCCCCO)c(C)n1-c1ccccc1 ZINC000789339799 1306143456 /nfs/dbraw/zinc/14/34/56/1306143456.db2.gz GXJLBDWDJHWONK-UHFFFAOYSA-N 1 1 328.456 3.371 20 10 EGCDMO CC(C)[NH2+]C1CCN(Cc2cc(Br)cc(F)c2O)CC1 ZINC000893986473 1306165434 /nfs/dbraw/zinc/16/54/34/1306165434.db2.gz BKAFOMVTPMOLOL-UHFFFAOYSA-N 1 1 345.256 3.256 20 10 EGCDMO [O-]c1c(Br)cc(Cl)cc1C[N@H+](CCCO)C1CC1 ZINC000894019821 1306177368 /nfs/dbraw/zinc/17/73/68/1306177368.db2.gz FEKLSKZTPGOYQR-UHFFFAOYSA-N 1 1 334.641 3.155 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)[C@H](COC)Cc2ccccc2)c(O)c1 ZINC000789586812 1306188086 /nfs/dbraw/zinc/18/80/86/1306188086.db2.gz QDGRPQXRUJXYQE-SFHVURJKSA-N 1 1 329.440 3.480 20 10 EGCDMO CO[C@@]1(C)CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000793339899 1309349195 /nfs/dbraw/zinc/34/91/95/1309349195.db2.gz NSJZOGIZBGHWKV-IBGZPJMESA-N 1 1 336.451 3.053 20 10 EGCDMO CCc1nc(C)c(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000794290055 1309500597 /nfs/dbraw/zinc/50/05/97/1309500597.db2.gz YFLIUUSQWUMPEC-UHFFFAOYSA-N 1 1 329.444 3.266 20 10 EGCDMO Cc1cccc(C[N@@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000794641015 1309562075 /nfs/dbraw/zinc/56/20/75/1309562075.db2.gz JSNGTXQLLYBXTH-UHFFFAOYSA-N 1 1 339.483 3.118 20 10 EGCDMO Cc1cccc(C[N@H+](C)CC(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000794641015 1309562079 /nfs/dbraw/zinc/56/20/79/1309562079.db2.gz JSNGTXQLLYBXTH-UHFFFAOYSA-N 1 1 339.483 3.118 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705544 1309813961 /nfs/dbraw/zinc/81/39/61/1309813961.db2.gz YQVYLVZVLJLMIR-AEFFLSMTSA-N 1 1 346.515 3.293 20 10 EGCDMO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000896421249 1309854331 /nfs/dbraw/zinc/85/43/31/1309854331.db2.gz GQNXFAVIBNZTCP-KRWDZBQOSA-N 1 1 342.439 3.387 20 10 EGCDMO CC(C)(C)[N@H+]1CC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000896421249 1309854334 /nfs/dbraw/zinc/85/43/34/1309854334.db2.gz GQNXFAVIBNZTCP-KRWDZBQOSA-N 1 1 342.439 3.387 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1O ZINC000796707339 1310069105 /nfs/dbraw/zinc/06/91/05/1310069105.db2.gz MLKZKWJWIWTFDP-PBHICJAKSA-N 1 1 328.387 3.378 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817982626 1319485044 /nfs/dbraw/zinc/48/50/44/1319485044.db2.gz URBBNXPJZFMLMT-QKCSRTOESA-N 1 1 327.266 3.323 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1O ZINC000799154562 1310493710 /nfs/dbraw/zinc/49/37/10/1310493710.db2.gz FAUQBVZGQARAKV-RUGDWHBFSA-N 1 1 333.472 3.471 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000800986200 1310847862 /nfs/dbraw/zinc/84/78/62/1310847862.db2.gz BHLUWQCXIHBWRD-XJKSGUPXSA-N 1 1 341.407 3.223 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCN(C)C[C@@H]3C(C)C)cc2)CC1 ZINC000823172038 1320159375 /nfs/dbraw/zinc/15/93/75/1320159375.db2.gz JWCAOROMQIYVFP-OAQYLSRUSA-N 1 1 345.531 3.074 20 10 EGCDMO COC1CCN(c2ccc(CN3CC[N@H+](C)C[C@@H]3C(C)C)cc2)CC1 ZINC000823172038 1320159378 /nfs/dbraw/zinc/15/93/78/1320159378.db2.gz JWCAOROMQIYVFP-OAQYLSRUSA-N 1 1 345.531 3.074 20 10 EGCDMO COC1CCN(c2ccc(CN3CC[N@@H+](C)C[C@@H]3C(C)C)cc2)CC1 ZINC000823172038 1320159384 /nfs/dbraw/zinc/15/93/84/1320159384.db2.gz JWCAOROMQIYVFP-OAQYLSRUSA-N 1 1 345.531 3.074 20 10 EGCDMO Cn1ncc(C2CC2)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824506942 1320262500 /nfs/dbraw/zinc/26/25/00/1320262500.db2.gz BGYOIUFFKJEZTJ-QGZVFWFLSA-N 1 1 341.455 3.184 20 10 EGCDMO COc1cccc(C[N@@H+](C)C2CCN(CCC(F)(F)F)CC2)c1O ZINC000825331671 1320328966 /nfs/dbraw/zinc/32/89/66/1320328966.db2.gz KZGWALYIFJEUED-UHFFFAOYSA-N 1 1 346.393 3.249 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000802308514 1316998360 /nfs/dbraw/zinc/99/83/60/1316998360.db2.gz DNNFABGDOBJOKK-MCIONIFRSA-N 1 1 335.444 3.423 20 10 EGCDMO O=C(C1=CC(=O)CS1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000899446411 1317041089 /nfs/dbraw/zinc/04/10/89/1317041089.db2.gz HBLFHHOCKHXVGD-JKSUJKDBSA-N 1 1 342.464 3.048 20 10 EGCDMO COCCOCC[N@@H+](C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000808237227 1317650076 /nfs/dbraw/zinc/65/00/76/1317650076.db2.gz HITOFMDFLLCDOJ-UHFFFAOYSA-N 1 1 333.428 3.112 20 10 EGCDMO Cc1nc([C@@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449651 1317701838 /nfs/dbraw/zinc/70/18/38/1317701838.db2.gz ZAIDLLBOTPIAHF-ACJLOTCBSA-N 1 1 332.517 3.471 20 10 EGCDMO C[C@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cn1 ZINC000903448184 1317702503 /nfs/dbraw/zinc/70/25/03/1317702503.db2.gz LSUWBMHTRYVEOY-IFXJQAMLSA-N 1 1 330.451 3.240 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21)c1ccc(F)cc1O ZINC000808723794 1317723494 /nfs/dbraw/zinc/72/34/94/1317723494.db2.gz RLXYZZHKINHUKP-HNONPPJISA-N 1 1 334.435 3.219 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000809698826 1317868180 /nfs/dbraw/zinc/86/81/80/1317868180.db2.gz HBEKOEGLNAWMHV-NEWSRXKRSA-N 1 1 339.435 3.405 20 10 EGCDMO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1O ZINC000809703357 1317869130 /nfs/dbraw/zinc/86/91/30/1317869130.db2.gz JJNGGTZFGUETAX-OCCSQVGLSA-N 1 1 339.277 3.213 20 10 EGCDMO CCOc1ccc(C[N@@H+](CC(=O)N2CCCCCC2)C(C)C)c(O)c1 ZINC000809714835 1317873343 /nfs/dbraw/zinc/87/33/43/1317873343.db2.gz SJXJZYAGRJECMC-UHFFFAOYSA-N 1 1 348.487 3.404 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728803 1317880763 /nfs/dbraw/zinc/88/07/63/1317880763.db2.gz IIMNLIOBWGXMAL-AWEZNQCLSA-N 1 1 329.356 3.041 20 10 EGCDMO COc1cccc(O)c1C[N@@H+](CCc1ccccc1)CCN(C)C ZINC000809730915 1317881472 /nfs/dbraw/zinc/88/14/72/1317881472.db2.gz KDAPCCYTLRUFMV-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO COc1cccc(O)c1C[N@H+](CCc1ccccc1)CCN(C)C ZINC000809730915 1317881479 /nfs/dbraw/zinc/88/14/79/1317881479.db2.gz KDAPCCYTLRUFMV-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809763836 1317893415 /nfs/dbraw/zinc/89/34/15/1317893415.db2.gz AHRAAACPYVYKPC-OAQYLSRUSA-N 1 1 338.499 3.417 20 10 EGCDMO CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000809763836 1317893423 /nfs/dbraw/zinc/89/34/23/1317893423.db2.gz AHRAAACPYVYKPC-OAQYLSRUSA-N 1 1 338.499 3.417 20 10 EGCDMO CN(C)c1ccc(OC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809999895 1317934473 /nfs/dbraw/zinc/93/44/73/1317934473.db2.gz BDHSNSGOICCRHA-OAQYLSRUSA-N 1 1 340.467 3.423 20 10 EGCDMO OC[C@]1(C[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H]1c1ccccc1 ZINC000810165390 1317966935 /nfs/dbraw/zinc/96/69/35/1317966935.db2.gz QOXOVLKCINGBBN-KBXCAEBGSA-N 1 1 335.806 3.441 20 10 EGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@H]1[C@@H]1CCCO1 ZINC000811510812 1318188623 /nfs/dbraw/zinc/18/86/23/1318188623.db2.gz PNAXQZMNJVGHOW-OALUTQOASA-N 1 1 348.462 3.052 20 10 EGCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811906077 1318288371 /nfs/dbraw/zinc/28/83/71/1318288371.db2.gz QJTHEJJMFMOXAV-JKSUJKDBSA-N 1 1 334.508 3.233 20 10 EGCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000811972700 1318300333 /nfs/dbraw/zinc/30/03/33/1318300333.db2.gz RRIFQNWQBXGBOV-MRXNPFEDSA-N 1 1 334.508 3.014 20 10 EGCDMO COC(=O)N1CCC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000815573364 1319018302 /nfs/dbraw/zinc/01/83/02/1319018302.db2.gz HZWCUEONMBJBSH-MNOVXSKESA-N 1 1 346.349 3.292 20 10 EGCDMO Cc1noc(CCC[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)n1 ZINC000815591294 1319024439 /nfs/dbraw/zinc/02/44/39/1319024439.db2.gz CICBPGOWIUYBEK-SECBINFHSA-N 1 1 329.322 3.386 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815600481 1319026483 /nfs/dbraw/zinc/02/64/83/1319026483.db2.gz URZPSLHVIQXWNV-MQIPJXDCSA-N 1 1 345.361 3.400 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815600479 1319026534 /nfs/dbraw/zinc/02/65/34/1319026534.db2.gz URZPSLHVIQXWNV-HWWQOWPSSA-N 1 1 345.361 3.400 20 10 EGCDMO COc1ccc(OCC[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816530511 1319176217 /nfs/dbraw/zinc/17/62/17/1319176217.db2.gz KTWGXZWKTMXAAQ-UHFFFAOYSA-N 1 1 325.767 3.362 20 10 EGCDMO O=C(C[NH2+]Cc1cc(Cl)c(F)cc1O)N1CCCc2ccccc21 ZINC000816541841 1319178814 /nfs/dbraw/zinc/17/88/14/1319178814.db2.gz VYHWBZJRWIXCMY-UHFFFAOYSA-N 1 1 348.805 3.254 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc3ccccc3c1O)C[C@@H](C)O2 ZINC000816594720 1319190452 /nfs/dbraw/zinc/19/04/52/1319190452.db2.gz NGJNCWGALHNDEH-QEEYODRMSA-N 1 1 327.424 3.314 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)c1O ZINC000816656446 1319201976 /nfs/dbraw/zinc/20/19/76/1319201976.db2.gz RZVKPFQUHIPEPJ-QGZVFWFLSA-N 1 1 337.847 3.445 20 10 EGCDMO CN(C)c1ccc(OCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000817380281 1319345762 /nfs/dbraw/zinc/34/57/62/1319345762.db2.gz RPSNHGXIDOMTCI-UHFFFAOYSA-N 1 1 326.440 3.164 20 10 EGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2ccnc2)cc1 ZINC000817938344 1319466271 /nfs/dbraw/zinc/46/62/71/1319466271.db2.gz JDSCMJYPTBNJSW-KKSFZXQISA-N 1 1 349.482 3.289 20 10 EGCDMO COc1ccc2c(c1)[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CC2 ZINC000817938769 1319467095 /nfs/dbraw/zinc/46/70/95/1319467095.db2.gz RQIUROHJZZFHTQ-WOJBJXKFSA-N 1 1 325.456 3.038 20 10 EGCDMO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938585 1319467339 /nfs/dbraw/zinc/46/73/39/1319467339.db2.gz NPQRMZISORFZEM-UXHICEINSA-N 1 1 339.483 3.428 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942843 1319470937 /nfs/dbraw/zinc/47/09/37/1319470937.db2.gz RFQPTFLLROHOTK-KUHUBIRLSA-N 1 1 329.492 3.189 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])[C@H]1CCC[NH2+]C1 ZINC000817946656 1319471965 /nfs/dbraw/zinc/47/19/65/1319471965.db2.gz CJKPMOIWWMFUHC-WOPDTQHZSA-N 1 1 327.266 3.193 20 10 EGCDMO C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817953300 1319475090 /nfs/dbraw/zinc/47/50/90/1319475090.db2.gz ZLYXMBBFUMCMJT-WCBMZHEXSA-N 1 1 333.657 3.211 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCc3cc(N)ccc32)c1 ZINC000817967475 1319479876 /nfs/dbraw/zinc/47/98/76/1319479876.db2.gz JHKYLCFUYQDKCT-KPZWWZAWSA-N 1 1 340.423 3.489 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC000817985304 1319486860 /nfs/dbraw/zinc/48/68/60/1319486860.db2.gz CCFJTHBAPNCGAK-ZJQBRPOHSA-N 1 1 339.277 3.193 20 10 EGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cc(OC)ccc2O)s1 ZINC000818356222 1319534224 /nfs/dbraw/zinc/53/42/24/1319534224.db2.gz LLVKYLRNHGYLDI-VHSXEESVSA-N 1 1 336.413 3.056 20 10 EGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2N)c1O ZINC000818614874 1319570660 /nfs/dbraw/zinc/57/06/60/1319570660.db2.gz IAXPFLYWUHJRKV-LERXQTSPSA-N 1 1 327.266 3.384 20 10 EGCDMO C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917073888 1319749073 /nfs/dbraw/zinc/74/90/73/1319749073.db2.gz GWJVCIBTTHSNNE-IRXDYDNUSA-N 1 1 343.515 3.222 20 10 EGCDMO C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074105 1319749651 /nfs/dbraw/zinc/74/96/51/1319749651.db2.gz PUITUVMGEFOPQJ-JXFKEZNVSA-N 1 1 343.515 3.412 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)cc2F)CC1 ZINC000823801888 1320208423 /nfs/dbraw/zinc/20/84/23/1320208423.db2.gz RMLXSBHVIQMCDC-VQFNDLOPSA-N 1 1 349.494 3.013 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@]3(C2)C(=O)Nc2ccccc23)cc1Cl ZINC000825562537 1320347268 /nfs/dbraw/zinc/34/72/68/1320347268.db2.gz MWOZMTNVNNHKAH-IBGZPJMESA-N 1 1 342.826 3.450 20 10 EGCDMO COc1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934844 1320372227 /nfs/dbraw/zinc/37/22/27/1320372227.db2.gz LKCTZPRLGBWOAD-KSSFIOAISA-N 1 1 334.504 3.470 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000837725750 1320674365 /nfs/dbraw/zinc/67/43/65/1320674365.db2.gz RJPLHYCASZINJG-GOSISDBHSA-N 1 1 346.519 3.064 20 10 EGCDMO C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000859059350 1328915786 /nfs/dbraw/zinc/91/57/86/1328915786.db2.gz DQTDUEVCQPZQNE-UHFFFAOYSA-N 1 1 331.504 3.271 20 10 EGCDMO C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc(N2CCCCC2)cc1 ZINC000859059350 1328915792 /nfs/dbraw/zinc/91/57/92/1328915792.db2.gz DQTDUEVCQPZQNE-UHFFFAOYSA-N 1 1 331.504 3.271 20 10 EGCDMO C[C@H](CO)[N@@H+](C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839097626 1320869287 /nfs/dbraw/zinc/86/92/87/1320869287.db2.gz TVOJKBOXATXISQ-CYBMUJFWSA-N 1 1 341.293 3.252 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cccc(Cl)c3C1)[C@@H](O)CO2 ZINC000840158660 1321041801 /nfs/dbraw/zinc/04/18/01/1321041801.db2.gz SEWYRKIZJKEVOZ-KRWDZBQOSA-N 1 1 331.799 3.030 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cccc(Cl)c3C1)[C@@H](O)CO2 ZINC000840158660 1321041804 /nfs/dbraw/zinc/04/18/04/1321041804.db2.gz SEWYRKIZJKEVOZ-KRWDZBQOSA-N 1 1 331.799 3.030 20 10 EGCDMO Oc1c(Br)cccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000840953350 1321185577 /nfs/dbraw/zinc/18/55/77/1321185577.db2.gz LGCNYWZOFJEBID-UHFFFAOYSA-N 1 1 348.244 3.324 20 10 EGCDMO Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041524 1321207317 /nfs/dbraw/zinc/20/73/17/1321207317.db2.gz CVUGBSGOYOSXSV-NRFANRHFSA-N 1 1 349.482 3.036 20 10 EGCDMO C[C@H]([NH2+]C1CCN(C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1O ZINC000841764605 1321308669 /nfs/dbraw/zinc/30/86/69/1321308669.db2.gz QSEITBXPGBMDCQ-BBRMVZONSA-N 1 1 338.879 3.340 20 10 EGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000843125936 1321474443 /nfs/dbraw/zinc/47/44/43/1321474443.db2.gz DAAGTQYIECTSOP-OLZOCXBDSA-N 1 1 326.843 3.396 20 10 EGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125920 1321474499 /nfs/dbraw/zinc/47/44/99/1321474499.db2.gz CLNAMJLPXAQSEC-QWHCGFSZSA-N 1 1 326.843 3.396 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](C)COCC2CC2)c1 ZINC000846073729 1321766597 /nfs/dbraw/zinc/76/65/97/1321766597.db2.gz QJGTYKNPKSOUFY-NSHDSACASA-N 1 1 328.250 3.368 20 10 EGCDMO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000848881125 1322027161 /nfs/dbraw/zinc/02/71/61/1322027161.db2.gz MSDXLZFECMXNGT-UHFFFAOYSA-N 1 1 342.414 3.052 20 10 EGCDMO Cc1ccc(CNC(=[NH2+])NCc2cccc(Br)c2O)cc1 ZINC000849105421 1322080017 /nfs/dbraw/zinc/08/00/17/1322080017.db2.gz MEABMWVGXQTNEW-UHFFFAOYSA-N 1 1 348.244 3.277 20 10 EGCDMO OC1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3F)cc2)CC1 ZINC000850405588 1322240928 /nfs/dbraw/zinc/24/09/28/1322240928.db2.gz VXXXWICASGPGJC-UHFFFAOYSA-N 1 1 332.394 3.216 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN(C3CCCCC3)C2)c1 ZINC000850538628 1322263381 /nfs/dbraw/zinc/26/33/81/1322263381.db2.gz JDLQXSXFZNGMQX-GOEBONIOSA-N 1 1 346.471 3.236 20 10 EGCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000859593708 1329029411 /nfs/dbraw/zinc/02/94/11/1329029411.db2.gz JAWCABDHEKLLAN-GOSISDBHSA-N 1 1 343.858 3.203 20 10 EGCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000859593708 1329029418 /nfs/dbraw/zinc/02/94/18/1329029418.db2.gz JAWCABDHEKLLAN-GOSISDBHSA-N 1 1 343.858 3.203 20 10 EGCDMO C[N@H+](Cc1cc2oc3ccccc3c2cc1O)C[C@@H]1COCCO1 ZINC000853560354 1325122293 /nfs/dbraw/zinc/12/22/93/1325122293.db2.gz UEDRBNQHNMKEJU-CQSZACIVSA-N 1 1 327.380 3.139 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](N(C)c3ccccc3)C2)cc1OC ZINC000853583561 1325130059 /nfs/dbraw/zinc/13/00/59/1325130059.db2.gz CBCBXKRKLZGVSP-KRWDZBQOSA-N 1 1 342.439 3.120 20 10 EGCDMO Oc1cccc2c1[C@@H](N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)CC2 ZINC000854221955 1325230280 /nfs/dbraw/zinc/23/02/80/1325230280.db2.gz CHJBEVITXKXDKH-FGTMMUONSA-N 1 1 326.415 3.254 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(OC)ccc2F)c1 ZINC000857080475 1325570721 /nfs/dbraw/zinc/57/07/21/1325570721.db2.gz HAHOSSLICSRPBJ-NSHDSACASA-N 1 1 333.359 3.177 20 10 EGCDMO Cc1noc(C2CC[NH+](Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862226895 1329467818 /nfs/dbraw/zinc/46/78/18/1329467818.db2.gz HDHSNXFITLZKLR-UHFFFAOYSA-N 1 1 336.386 3.102 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000862484737 1329490815 /nfs/dbraw/zinc/49/08/15/1329490815.db2.gz AIANTXKYTXQHFL-UONOGXRCSA-N 1 1 335.444 3.201 20 10 EGCDMO Fc1ccc2c(c1)OCC[N@@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862551656 1329495983 /nfs/dbraw/zinc/49/59/83/1329495983.db2.gz VXVJHXSSCKLERM-UHFFFAOYSA-N 1 1 342.414 3.057 20 10 EGCDMO Fc1ccc2c(c1)OCC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000862551656 1329495984 /nfs/dbraw/zinc/49/59/84/1329495984.db2.gz VXVJHXSSCKLERM-UHFFFAOYSA-N 1 1 342.414 3.057 20 10 EGCDMO Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC000863163627 1329531531 /nfs/dbraw/zinc/53/15/31/1329531531.db2.gz KXFVBKLJOYZSDE-VQIMIIECSA-N 1 1 325.456 3.051 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001236662938 1376960914 /nfs/dbraw/zinc/96/09/14/1376960914.db2.gz JLFUQTKDBXOPKF-OAHLLOKOSA-N 1 1 346.240 3.150 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](O)(CF)CC2)c1 ZINC001236662938 1376960919 /nfs/dbraw/zinc/96/09/19/1376960919.db2.gz JLFUQTKDBXOPKF-OAHLLOKOSA-N 1 1 346.240 3.150 20 10 EGCDMO CCc1nc(N2CC=C(CCNC(=O)C3CC(C)C3)CC2)cc(C)[nH+]1 ZINC001089820802 1360678744 /nfs/dbraw/zinc/67/87/44/1360678744.db2.gz LXOJZIFQEXJCLR-UHFFFAOYSA-N 1 1 342.487 3.036 20 10 EGCDMO COC(=O)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1 ZINC001324416593 1387619255 /nfs/dbraw/zinc/61/92/55/1387619255.db2.gz HDDBYCRWLHDWMB-UHFFFAOYSA-N 1 1 345.487 3.259 20 10 EGCDMO CC(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194375125 1368247818 /nfs/dbraw/zinc/24/78/18/1368247818.db2.gz OOVBYHHQXGYBDN-MRXNPFEDSA-N 1 1 345.447 3.041 20 10 EGCDMO O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001325582119 1388007423 /nfs/dbraw/zinc/00/74/23/1388007423.db2.gz OIBQZCAYUBKISZ-HXUWFJFHSA-N 1 1 341.499 3.264 20 10 EGCDMO CCOC[C@H]1C[N@H+](Cc2ccccc2O)Cc2nn(CC3CC3)cc21 ZINC001203551689 1370167051 /nfs/dbraw/zinc/16/70/51/1370167051.db2.gz KLEMVHDTSLWBLB-QGZVFWFLSA-N 1 1 341.455 3.135 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2ccccc2O)Cc2nn(CC3CC3)cc21 ZINC001203551689 1370167054 /nfs/dbraw/zinc/16/70/54/1370167054.db2.gz KLEMVHDTSLWBLB-QGZVFWFLSA-N 1 1 341.455 3.135 20 10 EGCDMO Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4O)C3)CC2=O)cc1 ZINC001203555832 1370168341 /nfs/dbraw/zinc/16/83/41/1370168341.db2.gz HBCMTAAPRNGWRI-OAQYLSRUSA-N 1 1 336.435 3.330 20 10 EGCDMO COc1cccc(C[N@H+]2CC[C@@H](Oc3cc(F)ccc3F)C2)c1O ZINC001203595797 1370182119 /nfs/dbraw/zinc/18/21/19/1370182119.db2.gz NGQXQIMMNBXPQZ-CQSZACIVSA-N 1 1 335.350 3.332 20 10 EGCDMO COc1cccc(C[N@@H+](C)CCCCNC(=O)OC(C)(C)C)c1O ZINC001203599522 1370183194 /nfs/dbraw/zinc/18/31/94/1370183194.db2.gz HFSVXRHXQZYDEM-UHFFFAOYSA-N 1 1 338.448 3.138 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](Oc3ccncc3)C2)c1O ZINC001203617120 1370189658 /nfs/dbraw/zinc/18/96/58/1370189658.db2.gz HXYKPDWYIXWIJT-KRWDZBQOSA-N 1 1 328.412 3.229 20 10 EGCDMO COc1ccc(CN2CCC([N@@H+](C)Cc3ccccc3)CC2)c(O)c1 ZINC001203627533 1370192213 /nfs/dbraw/zinc/19/22/13/1370192213.db2.gz HTSUISDJKBVUMD-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO CC(C)[N@H+]1CCN(Cc2cc(Br)ccc2O)C[C@@H]1C ZINC001203648241 1370199710 /nfs/dbraw/zinc/19/97/10/1370199710.db2.gz GDDCQNUIRPGYEM-LBPRGKRZSA-N 1 1 327.266 3.069 20 10 EGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC001203664799 1370208231 /nfs/dbraw/zinc/20/82/31/1370208231.db2.gz WKDWGPQFLBHJTI-UHFFFAOYSA-N 1 1 328.840 3.392 20 10 EGCDMO CC(C)(C)OC(=O)N1C[C@H]2C[N@@H+](Cc3cc(Cl)ccc3O)C[C@@H]21 ZINC001203664626 1370208584 /nfs/dbraw/zinc/20/85/84/1370208584.db2.gz NXTXVLWXZCHIPJ-OCCSQVGLSA-N 1 1 338.835 3.097 20 10 EGCDMO COc1cc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)ccn1 ZINC001203665878 1370208792 /nfs/dbraw/zinc/20/87/92/1370208792.db2.gz ZALCOSIYVXHRCE-OAHLLOKOSA-N 1 1 334.803 3.103 20 10 EGCDMO CC(C)(C)OC(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(O)c(O)c1)C2 ZINC001203874971 1370296489 /nfs/dbraw/zinc/29/64/89/1370296489.db2.gz GBUFLSNZJGJCIR-IBGZPJMESA-N 1 1 348.443 3.073 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)cc1 ZINC001203943717 1370324430 /nfs/dbraw/zinc/32/44/30/1370324430.db2.gz FTIJUPQTYIBSOE-HXUWFJFHSA-N 1 1 331.504 3.364 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1ccc(O)cc1O ZINC001204279069 1370430172 /nfs/dbraw/zinc/43/01/72/1370430172.db2.gz PFNQJRUOUCVTRG-NUTKFTJISA-N 1 1 333.428 3.040 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327316 1370445195 /nfs/dbraw/zinc/44/51/95/1370445195.db2.gz QIQTZHAVYBADHE-QGZVFWFLSA-N 1 1 330.472 3.450 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@H](Oc3ccc(C)cc3)C2)cc(O)c1O ZINC001204343604 1370448907 /nfs/dbraw/zinc/44/89/07/1370448907.db2.gz UQQIGGKYDIDMHI-KRWDZBQOSA-N 1 1 343.423 3.458 20 10 EGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(C(F)(F)F)nc1)CCC2 ZINC001205444349 1370757780 /nfs/dbraw/zinc/75/77/80/1370757780.db2.gz YSAQPMYKTPICMH-UHFFFAOYSA-N 1 1 338.329 3.460 20 10 EGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(C(F)(F)F)nc1)CCC2 ZINC001205444349 1370757785 /nfs/dbraw/zinc/75/77/85/1370757785.db2.gz YSAQPMYKTPICMH-UHFFFAOYSA-N 1 1 338.329 3.460 20 10 EGCDMO C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1C[NH3+] ZINC001205652498 1370829257 /nfs/dbraw/zinc/82/92/57/1370829257.db2.gz PTESOWDXLXBWMJ-OLZOCXBDSA-N 1 1 346.393 3.140 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@H]1C[NH3+] ZINC001205652498 1370829260 /nfs/dbraw/zinc/82/92/60/1370829260.db2.gz PTESOWDXLXBWMJ-OLZOCXBDSA-N 1 1 346.393 3.140 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024327 1370941255 /nfs/dbraw/zinc/94/12/55/1370941255.db2.gz INLQEEMWODFZPG-HOCLYGCPSA-N 1 1 328.456 3.361 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024327 1370941259 /nfs/dbraw/zinc/94/12/59/1370941259.db2.gz INLQEEMWODFZPG-HOCLYGCPSA-N 1 1 328.456 3.361 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024327 1370941261 /nfs/dbraw/zinc/94/12/61/1370941261.db2.gz INLQEEMWODFZPG-HOCLYGCPSA-N 1 1 328.456 3.361 20 10 EGCDMO C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206023301 1370941533 /nfs/dbraw/zinc/94/15/33/1370941533.db2.gz FTRXOXXGPAKUMK-QWHCGFSZSA-N 1 1 346.393 3.140 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@@H]1C[NH3+] ZINC001206023301 1370941536 /nfs/dbraw/zinc/94/15/36/1370941536.db2.gz FTRXOXXGPAKUMK-QWHCGFSZSA-N 1 1 346.393 3.140 20 10 EGCDMO C[C@@]1(C[NH3+])CCCCN(Cc2cc(Br)ccc2O)C1 ZINC001206541729 1371087711 /nfs/dbraw/zinc/08/77/11/1371087711.db2.gz INHHCRFQNZKTFT-HNNXBMFYSA-N 1 1 327.266 3.106 20 10 EGCDMO Cc1cc(O)c(CN2CCCC[C@@H](C[NH3+])C2)cc1Br ZINC001206641273 1371116517 /nfs/dbraw/zinc/11/65/17/1371116517.db2.gz VONXJRQUCSDLFT-LBPRGKRZSA-N 1 1 327.266 3.024 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)cnc1OC ZINC001209615704 1372151469 /nfs/dbraw/zinc/15/14/69/1372151469.db2.gz KKZGZIWHHXUKMF-UHFFFAOYSA-N 1 1 341.455 3.331 20 10 EGCDMO C[C@@H]1CNC[C@H](C)[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001209885585 1372222058 /nfs/dbraw/zinc/22/20/58/1372222058.db2.gz GUFASJKGHIJNHS-TXEJJXNPSA-N 1 1 349.272 3.490 20 10 EGCDMO C[C@@H]1CNC[C@H](C)[N@@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001209885585 1372222062 /nfs/dbraw/zinc/22/20/62/1372222062.db2.gz GUFASJKGHIJNHS-TXEJJXNPSA-N 1 1 349.272 3.490 20 10 EGCDMO CN1CCCc2cc(C[N@@H+]3CCN[C@H](Cc4ccccc4)C3)ccc21 ZINC001210310516 1372321908 /nfs/dbraw/zinc/32/19/08/1372321908.db2.gz DZBUEIHANQXGQQ-OAQYLSRUSA-N 1 1 335.495 3.086 20 10 EGCDMO CN1CCCc2cc(C[N@H+]3CCN[C@H](Cc4ccccc4)C3)ccc21 ZINC001210310516 1372321911 /nfs/dbraw/zinc/32/19/11/1372321911.db2.gz DZBUEIHANQXGQQ-OAQYLSRUSA-N 1 1 335.495 3.086 20 10 EGCDMO Oc1c(Cl)cc(F)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210383219 1372339361 /nfs/dbraw/zinc/33/93/61/1372339361.db2.gz MBPXNKRKZIUQKK-MRXNPFEDSA-N 1 1 334.822 3.201 20 10 EGCDMO Cc1ccccc1/N=N/c1ccc(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)c(C)c1 ZINC001219206177 1373694663 /nfs/dbraw/zinc/69/46/63/1373694663.db2.gz UTQHSJQCJYTGKD-VHTLWPPKSA-N 1 1 337.427 3.347 20 10 EGCDMO COc1ccc(Br)c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1O ZINC001231557962 1376263799 /nfs/dbraw/zinc/26/37/99/1376263799.db2.gz WYNHZRFTFICDOG-AUTRQRHGSA-N 1 1 330.197 3.096 20 10 EGCDMO CCOC[C@H]1C[N@H+](Cc2cccc(C)c2O)Cc2nn(CC)cc21 ZINC001231592539 1376273138 /nfs/dbraw/zinc/27/31/38/1376273138.db2.gz NLPBSMVPVOIUIY-MRXNPFEDSA-N 1 1 329.444 3.053 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(C)c2O)Cc2nn(CC)cc21 ZINC001231592539 1376273143 /nfs/dbraw/zinc/27/31/43/1376273143.db2.gz NLPBSMVPVOIUIY-MRXNPFEDSA-N 1 1 329.444 3.053 20 10 EGCDMO Cc1cccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C2)c1O ZINC001231593738 1376273609 /nfs/dbraw/zinc/27/36/09/1376273609.db2.gz LTKWDKZDHJOPGD-DOTOQJQBSA-N 1 1 346.471 3.389 20 10 EGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(O)cc2O)cc1 ZINC001231635038 1376287520 /nfs/dbraw/zinc/28/75/20/1376287520.db2.gz DCDXIOGCMZIGFX-MRXNPFEDSA-N 1 1 329.396 3.452 20 10 EGCDMO Cc1cc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c(O)c1 ZINC001231845382 1376325372 /nfs/dbraw/zinc/32/53/72/1376325372.db2.gz XVYQXZDKOMXJLT-RDJZCZTQSA-N 1 1 346.471 3.450 20 10 EGCDMO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868852 1376330266 /nfs/dbraw/zinc/33/02/66/1376330266.db2.gz YAGCABJKUOUNPL-OAHLLOKOSA-N 1 1 349.862 3.316 20 10 EGCDMO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868852 1376330283 /nfs/dbraw/zinc/33/02/83/1376330283.db2.gz YAGCABJKUOUNPL-OAHLLOKOSA-N 1 1 349.862 3.316 20 10 EGCDMO Cc1cccnc1N1CC[NH+](Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231869264 1376331908 /nfs/dbraw/zinc/33/19/08/1376331908.db2.gz NYPLRCZDTUAULP-UHFFFAOYSA-N 1 1 331.847 3.380 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C(=O)N2CCCC2)cc1Cl ZINC001231871119 1376332552 /nfs/dbraw/zinc/33/25/52/1376332552.db2.gz YZVAAVHCKHZBDC-MRXNPFEDSA-N 1 1 336.863 3.331 20 10 EGCDMO CC[N@@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C1CCOCC1 ZINC001232202838 1376416877 /nfs/dbraw/zinc/41/68/77/1376416877.db2.gz HRXVWRBJAWSCMH-UHFFFAOYSA-N 1 1 338.879 3.178 20 10 EGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)c1 ZINC001233079635 1376564542 /nfs/dbraw/zinc/56/45/42/1376564542.db2.gz IFUOQZSJAOGIMP-AWEZNQCLSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCO3)C2)c1O ZINC001233110126 1376570161 /nfs/dbraw/zinc/57/01/61/1376570161.db2.gz UUEGWDZQTBNOSL-HNNXBMFYSA-N 1 1 326.234 3.218 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+](C)Cc2cccc3c2OCO3)c1O ZINC001233291195 1376605649 /nfs/dbraw/zinc/60/56/49/1376605649.db2.gz PWXQBVWAMMBOEU-UHFFFAOYSA-N 1 1 335.787 3.415 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](Oc3ccncc3C)C2)c1O ZINC001233290883 1376605663 /nfs/dbraw/zinc/60/56/63/1376605663.db2.gz BDYMHQYKOJVOOJ-HNNXBMFYSA-N 1 1 348.830 3.411 20 10 EGCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3ccc(C)cn3)CC2)c1O ZINC001233289880 1376606176 /nfs/dbraw/zinc/60/61/76/1376606176.db2.gz VKQGRFLUWSFKNT-UHFFFAOYSA-N 1 1 347.846 3.080 20 10 EGCDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335940 1376619597 /nfs/dbraw/zinc/61/95/97/1376619597.db2.gz RTVSOCBMXNZRTA-LLVKDONJSA-N 1 1 327.371 3.224 20 10 EGCDMO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233335940 1376619601 /nfs/dbraw/zinc/61/96/01/1376619601.db2.gz RTVSOCBMXNZRTA-LLVKDONJSA-N 1 1 327.371 3.224 20 10 EGCDMO COc1cccc(C[C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233486988 1376653370 /nfs/dbraw/zinc/65/33/70/1376653370.db2.gz KNEMTTOVXVADOG-OAHLLOKOSA-N 1 1 343.423 3.267 20 10 EGCDMO CC(C)c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)OC(C)(C)C)c(O)c1 ZINC001237051554 1376971310 /nfs/dbraw/zinc/97/13/10/1376971310.db2.gz MWIGDFBBAPBJJE-VQFNDLOPSA-N 1 1 346.471 3.471 20 10 EGCDMO COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237053814 1376971970 /nfs/dbraw/zinc/97/19/70/1376971970.db2.gz QWULPEVCYOVUBQ-CYBMUJFWSA-N 1 1 333.350 3.334 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052624 1376972917 /nfs/dbraw/zinc/97/29/17/1376972917.db2.gz XGGTUMQPTUVISC-SFHVURJKSA-N 1 1 343.471 3.385 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(O)c(OC)c1 ZINC001237675882 1376982300 /nfs/dbraw/zinc/98/23/00/1376982300.db2.gz HYZAEDZRXMCSAA-MRXNPFEDSA-N 1 1 327.424 3.474 20 10 EGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1Br ZINC001237676548 1376983457 /nfs/dbraw/zinc/98/34/57/1376983457.db2.gz KPBHGLOYZQRBAO-JOCQHMNTSA-N 1 1 328.250 3.198 20 10 EGCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+](Cc2c(O)cccc2F)C1 ZINC001137831926 1377624163 /nfs/dbraw/zinc/62/41/63/1377624163.db2.gz SMWJIZANQMXUBB-ZDUSSCGKSA-N 1 1 338.423 3.220 20 10 EGCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c(O)cccc2F)C1 ZINC001137831926 1377624166 /nfs/dbraw/zinc/62/41/66/1377624166.db2.gz SMWJIZANQMXUBB-ZDUSSCGKSA-N 1 1 338.423 3.220 20 10 EGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@H+](Cc2cccc(F)c2O)C1 ZINC001138129534 1377682624 /nfs/dbraw/zinc/68/26/24/1377682624.db2.gz JHMYKSYCCGSRQF-OCCSQVGLSA-N 1 1 338.423 3.266 20 10 EGCDMO C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138129534 1377682626 /nfs/dbraw/zinc/68/26/26/1377682626.db2.gz JHMYKSYCCGSRQF-OCCSQVGLSA-N 1 1 338.423 3.266 20 10 EGCDMO CCO[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001138216654 1377690555 /nfs/dbraw/zinc/69/05/55/1377690555.db2.gz GAWKUXBDOIMPEC-NJYVYQBISA-N 1 1 344.499 3.445 20 10 EGCDMO COCC[N@@H+](Cc1c(C)n(C)c2ccccc21)C1CCN(C)CC1 ZINC001138257028 1377694682 /nfs/dbraw/zinc/69/46/82/1377694682.db2.gz SLPPOEBGIDEYTL-UHFFFAOYSA-N 1 1 329.488 3.029 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCC[C@]1(C)O ZINC001138337661 1377705267 /nfs/dbraw/zinc/70/52/67/1377705267.db2.gz CNATUJWGHOFUHV-BTYIYWSLSA-N 1 1 344.499 3.074 20 10 EGCDMO Oc1c(C[N@@H+]2CCC(F)(F)[C@@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138337965 1377705444 /nfs/dbraw/zinc/70/54/44/1377705444.db2.gz IDQXURWIGVYIMA-HNNXBMFYSA-N 1 1 340.389 3.270 20 10 EGCDMO Oc1c(C[N@H+]2CCC(F)(F)[C@@H](F)C2)cc2c3c1CCCN3CCC2 ZINC001138337965 1377705445 /nfs/dbraw/zinc/70/54/45/1377705445.db2.gz IDQXURWIGVYIMA-HNNXBMFYSA-N 1 1 340.389 3.270 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[N@@H+](C)Cc3ccccc3O)cn2)C[C@@H](C)O1 ZINC001139384613 1377876948 /nfs/dbraw/zinc/87/69/48/1377876948.db2.gz DAUDGXCYYYWOSE-HZPDHXFCSA-N 1 1 341.455 3.033 20 10 EGCDMO CCOCc1ncn2c1C[N@@H+](Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC001139671902 1377930878 /nfs/dbraw/zinc/93/08/78/1377930878.db2.gz QNSPFMKVAZFVTL-UHFFFAOYSA-N 1 1 342.487 3.200 20 10 EGCDMO CCc1noc([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC001139672852 1377931583 /nfs/dbraw/zinc/93/15/83/1377931583.db2.gz JMMKEPJCGWCNFL-INIZCTEOSA-N 1 1 328.460 3.386 20 10 EGCDMO Oc1ccc(F)cc1C[N@H+]1CCc2ncnc(-c3ccoc3)c2CC1 ZINC001140055730 1377996759 /nfs/dbraw/zinc/99/67/59/1377996759.db2.gz RFJKVLXEVJCJQN-UHFFFAOYSA-N 1 1 339.370 3.182 20 10 EGCDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC001140055428 1377996815 /nfs/dbraw/zinc/99/68/15/1377996815.db2.gz XUMGGCVJBNFHEG-HNNXBMFYSA-N 1 1 338.423 3.411 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H]1c1cnccn1 ZINC001140100786 1378007482 /nfs/dbraw/zinc/00/74/82/1378007482.db2.gz BRIXOPRWBIHJQE-AWEZNQCLSA-N 1 1 334.217 3.282 20 10 EGCDMO C[NH+]1CCC2(CC[N@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC001140101304 1378007659 /nfs/dbraw/zinc/00/76/59/1378007659.db2.gz QUXKORVHQCPWFY-UHFFFAOYSA-N 1 1 339.277 3.072 20 10 EGCDMO C[NH+]1CCC2(CC[N@@H+](Cc3c([O-])cccc3Br)C2)CC1 ZINC001140101304 1378007660 /nfs/dbraw/zinc/00/76/60/1378007660.db2.gz QUXKORVHQCPWFY-UHFFFAOYSA-N 1 1 339.277 3.072 20 10 EGCDMO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1O ZINC001140182221 1378027120 /nfs/dbraw/zinc/02/71/20/1378027120.db2.gz LCHQGXKDCIBFGD-OAHLLOKOSA-N 1 1 334.460 3.450 20 10 EGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001140180882 1378027420 /nfs/dbraw/zinc/02/74/20/1378027420.db2.gz MZZPYWFJTOIEHW-GASCZTMLSA-N 1 1 332.444 3.203 20 10 EGCDMO CSc1ncc(C[N@H+](C)Cc2ccc(N3CCCC3)cc2)c(N)n1 ZINC001140250799 1378036561 /nfs/dbraw/zinc/03/65/61/1378036561.db2.gz NVCCSTCIBLDVAS-UHFFFAOYSA-N 1 1 343.500 3.013 20 10 EGCDMO CSc1ncc(C[N@@H+](C)Cc2ccc(N3CCCC3)cc2)c(N)n1 ZINC001140250799 1378036564 /nfs/dbraw/zinc/03/65/64/1378036564.db2.gz NVCCSTCIBLDVAS-UHFFFAOYSA-N 1 1 343.500 3.013 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3[nH]nc4ccc(C)cc43)CC2)cc1 ZINC001140327742 1378046103 /nfs/dbraw/zinc/04/61/03/1378046103.db2.gz GHVWHMMUDTZIJZ-UHFFFAOYSA-N 1 1 336.439 3.202 20 10 EGCDMO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338729 1378048491 /nfs/dbraw/zinc/04/84/91/1378048491.db2.gz NKJPRGWJLPCOHL-GTNSWQLSSA-N 1 1 338.835 3.145 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140340109 1378049006 /nfs/dbraw/zinc/04/90/06/1378049006.db2.gz RIAVCJOIPUNNIV-UHFFFAOYSA-N 1 1 329.831 3.314 20 10 EGCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3c(O)cccc3Cl)C2)c1 ZINC001140342524 1378050289 /nfs/dbraw/zinc/05/02/89/1378050289.db2.gz NLAKTKDKDVKUHS-ZDUSSCGKSA-N 1 1 334.803 3.103 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140343979 1378050419 /nfs/dbraw/zinc/05/04/19/1378050419.db2.gz BNEABUOGDUUPAL-KSSFIOAISA-N 1 1 337.847 3.206 20 10 EGCDMO CCn1ncc2c1[C@H](COC)C[N@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467531 1378069042 /nfs/dbraw/zinc/06/90/42/1378069042.db2.gz SHTOAORDIGYHNO-AWEZNQCLSA-N 1 1 335.835 3.008 20 10 EGCDMO CCn1ncc2c1[C@H](COC)C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467531 1378069043 /nfs/dbraw/zinc/06/90/43/1378069043.db2.gz SHTOAORDIGYHNO-AWEZNQCLSA-N 1 1 335.835 3.008 20 10 EGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccnn1-c1ccccc1)CCC2 ZINC001140530724 1378079437 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Cc1ccc(O)c(C[N@H+]2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619539 1378099654 /nfs/dbraw/zinc/09/96/54/1378099654.db2.gz GUSBYQVBOPBIGQ-JKSUJKDBSA-N 1 1 332.444 3.284 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC001140619873 1378099693 /nfs/dbraw/zinc/09/96/93/1378099693.db2.gz SRZSSDWCHMCHMM-NVXWUHKLSA-N 1 1 346.471 3.389 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)OC)[C@@H]2C)c(O)c1 ZINC001140855821 1378159580 /nfs/dbraw/zinc/15/95/80/1378159580.db2.gz LCLWKQGZCMAWJJ-YOEHRIQHSA-N 1 1 334.460 3.012 20 10 EGCDMO CN(C)c1ccc(CN2CC3(C2)CC[N@@H+](CC2CC2)C3)c(Cl)c1 ZINC001140924749 1378182234 /nfs/dbraw/zinc/18/22/34/1378182234.db2.gz UCBIUJJFITYCMQ-UHFFFAOYSA-N 1 1 333.907 3.324 20 10 EGCDMO Cc1nccnc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926501 1378183346 /nfs/dbraw/zinc/18/33/46/1378183346.db2.gz MPEPOULYESWJIO-INIZCTEOSA-N 1 1 346.862 3.158 20 10 EGCDMO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1ccc(C)cc1O)C2 ZINC001140950706 1378190076 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COc1cccc(-c2noc([C@H](C)[NH2+]Cc3ccccc3O)n2)c1 ZINC000174657929 455409737 /nfs/dbraw/zinc/40/97/37/455409737.db2.gz SYDDMNYURDJORA-LBPRGKRZSA-N 1 1 325.368 3.302 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1CO ZINC000191731052 455514270 /nfs/dbraw/zinc/51/42/70/455514270.db2.gz UYGMIQLAYMVITP-QAPCUYQASA-N 1 1 327.424 3.031 20 10 EGCDMO C[C@@H]([NH2+][C@@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1O ZINC000185464239 455561343 /nfs/dbraw/zinc/56/13/43/455561343.db2.gz JSLQEXISDVGNFF-IUODEOHRSA-N 1 1 328.387 3.267 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)c1ccc(F)cc1O ZINC000186022537 455678037 /nfs/dbraw/zinc/67/80/37/455678037.db2.gz MSAKHFUZAZPWQN-NHYWBVRUSA-N 1 1 332.350 3.127 20 10 EGCDMO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(N2CCCCC2)cc1 ZINC000268793516 455714366 /nfs/dbraw/zinc/71/43/66/455714366.db2.gz YXOPAFYLFNHQRH-HNNXBMFYSA-N 1 1 325.460 3.065 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1nncn1C ZINC000268868594 455715268 /nfs/dbraw/zinc/71/52/68/455715268.db2.gz KXHOSSFUBRTFJD-UONOGXRCSA-N 1 1 331.439 3.356 20 10 EGCDMO CCN1CCO[C@@H](C[NH2+]Cc2cccc(F)c2O)[C@@H]1c1ccccc1 ZINC000284625337 455715382 /nfs/dbraw/zinc/71/53/82/455715382.db2.gz NKSDOEKHTGNKCM-OALUTQOASA-N 1 1 344.430 3.083 20 10 EGCDMO CC(C)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1=O ZINC000192998242 455732916 /nfs/dbraw/zinc/73/29/16/455732916.db2.gz HIQVPEWWUZNZGB-RNCFNFMXSA-N 1 1 331.243 3.359 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000294054993 455803797 /nfs/dbraw/zinc/80/37/97/455803797.db2.gz XJJSJRLRVWSDMM-CTYIDZIISA-N 1 1 346.358 3.484 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278525692 455838929 /nfs/dbraw/zinc/83/89/29/455838929.db2.gz TVQWVUDLNBEKOU-GJZGRUSLSA-N 1 1 328.368 3.030 20 10 EGCDMO Oc1ccc(C2=CC[N@@H+](Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000194581590 455860908 /nfs/dbraw/zinc/86/09/08/455860908.db2.gz YBIFJJVIHUUYMO-UHFFFAOYSA-N 1 1 325.364 3.116 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCSC[C@@H](C)C3)cc2)CC1 ZINC000296167438 455871239 /nfs/dbraw/zinc/87/12/39/455871239.db2.gz ZFQAJQPMZBGRCP-INIZCTEOSA-N 1 1 334.529 3.487 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)CCc3ccncc3)cc2)CC1 ZINC000296202737 455879062 /nfs/dbraw/zinc/87/90/62/455879062.db2.gz FKHDLQRYNUJEHN-UHFFFAOYSA-N 1 1 339.483 3.371 20 10 EGCDMO C[C@@H](c1ccc(N(C)C)cc1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296335468 455911615 /nfs/dbraw/zinc/91/16/15/455911615.db2.gz HNVLAWPPBVGCLD-JKSUJKDBSA-N 1 1 331.504 3.427 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328288 455915812 /nfs/dbraw/zinc/91/58/12/455915812.db2.gz VONLOZAXGOFUSP-IUODEOHRSA-N 1 1 338.423 3.266 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCCCC3)cc1)C[C@@H](C)O2 ZINC000280453234 455975052 /nfs/dbraw/zinc/97/50/52/455975052.db2.gz LMMOZNLFXGVPHY-LVCYWYKZSA-N 1 1 344.499 3.445 20 10 EGCDMO CC[C@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(F)cc1O ZINC000286114361 455979918 /nfs/dbraw/zinc/97/99/18/455979918.db2.gz NUSQFBGRGVMKRI-KRWDZBQOSA-N 1 1 346.402 3.011 20 10 EGCDMO COCCn1cc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000271085834 456122373 /nfs/dbraw/zinc/12/23/73/456122373.db2.gz TWBPHHPWQKKMMB-UHFFFAOYSA-N 1 1 330.476 3.006 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382871 456227340 /nfs/dbraw/zinc/22/73/40/456227340.db2.gz ISOBMXWOLDFAKU-RYUDHWBXSA-N 1 1 344.367 3.499 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000273443934 456231621 /nfs/dbraw/zinc/23/16/21/456231621.db2.gz ZISVSFAIMONQOZ-CHWSQXEVSA-N 1 1 329.396 3.083 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000273483382 456234418 /nfs/dbraw/zinc/23/44/18/456234418.db2.gz MTMJEIKOPVGWRY-QWRGUYRKSA-N 1 1 332.400 3.238 20 10 EGCDMO C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237115992 456234693 /nfs/dbraw/zinc/23/46/93/456234693.db2.gz LTOGDPFAHOUYBF-HNAYVOBHSA-N 1 1 343.496 3.072 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000273593456 456240901 /nfs/dbraw/zinc/24/09/01/456240901.db2.gz PYBOSNAYYFTFFT-RDTXWAMCSA-N 1 1 343.423 3.343 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000273593452 456241342 /nfs/dbraw/zinc/24/13/42/456241342.db2.gz PYBOSNAYYFTFFT-KDOFPFPSSA-N 1 1 343.423 3.343 20 10 EGCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1ccccc1 ZINC000298499842 456474874 /nfs/dbraw/zinc/47/48/74/456474874.db2.gz YQOVLOSHHWUCDH-KRWDZBQOSA-N 1 1 337.467 3.308 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000291471276 456652840 /nfs/dbraw/zinc/65/28/40/456652840.db2.gz DXYXUJHOMWGTDP-INIZCTEOSA-N 1 1 341.455 3.288 20 10 EGCDMO CCN(CC)c1ccc(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371884 457394436 /nfs/dbraw/zinc/39/44/36/457394436.db2.gz QHHMQJLILVDUHI-PWRODBHTSA-N 1 1 345.531 3.216 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861417 457456931 /nfs/dbraw/zinc/45/69/31/457456931.db2.gz WPEUQTMRYXWLNT-YUTCNCBUSA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861417 457456935 /nfs/dbraw/zinc/45/69/35/457456935.db2.gz WPEUQTMRYXWLNT-YUTCNCBUSA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Br)cc1[O-] ZINC000370393065 457638193 /nfs/dbraw/zinc/63/81/93/457638193.db2.gz AAWPDKZAIQGIFP-SKDRFNHKSA-N 1 1 336.233 3.086 20 10 EGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366589657 457861817 /nfs/dbraw/zinc/86/18/17/457861817.db2.gz RCSLCONURMAKRH-LISAXSMJSA-N 1 1 348.874 3.172 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000368036113 458006382 /nfs/dbraw/zinc/00/63/82/458006382.db2.gz IDWWKEDDOBLWCQ-AQNXPRMDSA-N 1 1 339.435 3.405 20 10 EGCDMO COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](OC)CC2)c1O ZINC000377247798 458494286 /nfs/dbraw/zinc/49/42/86/458494286.db2.gz CGFWCIBDUMQDPU-CYBMUJFWSA-N 1 1 344.249 3.164 20 10 EGCDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471852808 458743282 /nfs/dbraw/zinc/74/32/82/458743282.db2.gz NPCSGSPRKWYAQW-MRXNPFEDSA-N 1 1 342.487 3.160 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000726279313 574547912 /nfs/dbraw/zinc/54/79/12/574547912.db2.gz FVOSZMGNLPWEMK-UHFFFAOYSA-N 1 1 334.508 3.014 20 10 EGCDMO COc1ccc(-c2nnc(C[N@H+](C)Cc3ccccc3O)o2)cc1 ZINC000731842863 575211494 /nfs/dbraw/zinc/21/14/94/575211494.db2.gz MCPDHCPMAFBNTF-UHFFFAOYSA-N 1 1 325.368 3.083 20 10 EGCDMO COc1ccc(-c2nnc(C[N@@H+](C)Cc3ccccc3O)o2)cc1 ZINC000731842863 575211497 /nfs/dbraw/zinc/21/14/97/575211497.db2.gz MCPDHCPMAFBNTF-UHFFFAOYSA-N 1 1 325.368 3.083 20 10 EGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000731865476 575213477 /nfs/dbraw/zinc/21/34/77/575213477.db2.gz KVFDKTFOCLOWAT-IBGZPJMESA-N 1 1 329.488 3.120 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000731872140 575214237 /nfs/dbraw/zinc/21/42/37/575214237.db2.gz XFILDAXIMMDGOU-QGZVFWFLSA-N 1 1 332.831 3.307 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000735672182 575698270 /nfs/dbraw/zinc/69/82/70/575698270.db2.gz KFESBINLKIQMRJ-SFHVURJKSA-N 1 1 326.440 3.042 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000735672182 575698271 /nfs/dbraw/zinc/69/82/71/575698271.db2.gz KFESBINLKIQMRJ-SFHVURJKSA-N 1 1 326.440 3.042 20 10 EGCDMO CC[N@H+]1CCCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000740878201 576632825 /nfs/dbraw/zinc/63/28/25/576632825.db2.gz SYUJVAZQLSUXNL-UHFFFAOYSA-N 1 1 339.483 3.304 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722774 576713533 /nfs/dbraw/zinc/71/35/33/576713533.db2.gz RVXFWQMPNLJNEP-CABCVRRESA-N 1 1 331.485 3.368 20 10 EGCDMO C[C@H]1CCC[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741807114 576724043 /nfs/dbraw/zinc/72/40/43/576724043.db2.gz UYBJTXRUFHSNEQ-IRXDYDNUSA-N 1 1 331.504 3.222 20 10 EGCDMO Cc1nccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000742406207 576780447 /nfs/dbraw/zinc/78/04/47/576780447.db2.gz GPSLMLBNICKAPE-OAHLLOKOSA-N 1 1 332.835 3.221 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)N2CCC[C@H]2C)cc1 ZINC000743839789 576816490 /nfs/dbraw/zinc/81/64/90/576816490.db2.gz ZNFYRGJJJUAMLL-QGZVFWFLSA-N 1 1 331.504 3.366 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000744325300 576825465 /nfs/dbraw/zinc/82/54/65/576825465.db2.gz BKHXZMWNBDCQKR-HXUWFJFHSA-N 1 1 339.483 3.452 20 10 EGCDMO CCCOc1ccc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1C ZINC000873054958 1297250237 /nfs/dbraw/zinc/25/02/37/1297250237.db2.gz BIARXPRSBJBWGK-IBGZPJMESA-N 1 1 346.515 3.374 20 10 EGCDMO C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000016386858 1291173522 /nfs/dbraw/zinc/17/35/22/1291173522.db2.gz MRYWSTLEMZMAOJ-INIZCTEOSA-N 1 1 331.504 3.412 20 10 EGCDMO Cn1cc(C[N@@H+](C)Cc2c3c(ccc2O)oc2c3CCCC2)cn1 ZINC000047272466 1291570591 /nfs/dbraw/zinc/57/05/91/1291570591.db2.gz KTAGJUGIVSBOCV-UHFFFAOYSA-N 1 1 325.412 3.383 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000076074426 1292419045 /nfs/dbraw/zinc/41/90/45/1292419045.db2.gz OGYGCMDDEFMWHA-OAHLLOKOSA-N 1 1 344.430 3.448 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)ccc1N1CCCCC1 ZINC000828588746 1292479319 /nfs/dbraw/zinc/47/93/19/1292479319.db2.gz BNKWFHKWMWMKJD-IBGZPJMESA-N 1 1 339.487 3.451 20 10 EGCDMO Cc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)ccc1N1CCCCC1 ZINC000828588746 1292479325 /nfs/dbraw/zinc/47/93/25/1292479325.db2.gz BNKWFHKWMWMKJD-IBGZPJMESA-N 1 1 339.487 3.451 20 10 EGCDMO COCCCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000828624002 1292484812 /nfs/dbraw/zinc/48/48/12/1292484812.db2.gz BVFLSMZOMOMNOO-UHFFFAOYSA-N 1 1 334.504 3.470 20 10 EGCDMO C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000829423568 1292572352 /nfs/dbraw/zinc/57/23/52/1292572352.db2.gz VAKYTDKECQWOBP-ZDUSSCGKSA-N 1 1 346.452 3.427 20 10 EGCDMO C[C@H]1C[N@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000081574161 1292664012 /nfs/dbraw/zinc/66/40/12/1292664012.db2.gz VLVUVMGMQCZDIB-KKSFZXQISA-N 1 1 337.467 3.062 20 10 EGCDMO C[C@H]1C[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000081574161 1292664019 /nfs/dbraw/zinc/66/40/19/1292664019.db2.gz VLVUVMGMQCZDIB-KKSFZXQISA-N 1 1 337.467 3.062 20 10 EGCDMO C[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1cc(Cl)c(Cl)cc1O ZINC000834851489 1293157583 /nfs/dbraw/zinc/15/75/83/1293157583.db2.gz YDLXZROTWPLQKP-NWDGAFQWSA-N 1 1 347.286 3.196 20 10 EGCDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834880529 1293162750 /nfs/dbraw/zinc/16/27/50/1293162750.db2.gz KILCWLQCPOEKKG-AMJWSMQMSA-N 1 1 334.243 3.401 20 10 EGCDMO C[C@@H](NCC[N@H+]1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834907954 1293172524 /nfs/dbraw/zinc/17/25/24/1293172524.db2.gz AZMQMJVGFANHJJ-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO C[C@@H]([NH2+]CCN1CCCC1(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000834907954 1293172526 /nfs/dbraw/zinc/17/25/26/1293172526.db2.gz AZMQMJVGFANHJJ-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000835071919 1293199855 /nfs/dbraw/zinc/19/98/55/1293199855.db2.gz ZJXHDCZWZFUBNX-JTQLQIEISA-N 1 1 337.782 3.005 20 10 EGCDMO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2C)[C@H](C)C1 ZINC000122698816 1293421725 /nfs/dbraw/zinc/42/17/25/1293421725.db2.gz AFQATQFDLCJTLM-WIYYLYMNSA-N 1 1 347.547 3.288 20 10 EGCDMO C[NH+](C)[C@@H](C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000144955072 1293867403 /nfs/dbraw/zinc/86/74/03/1293867403.db2.gz WQJQPTDJCBOCRD-HXUWFJFHSA-N 1 1 337.467 3.206 20 10 EGCDMO CN(C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000177702417 1294688515 /nfs/dbraw/zinc/68/85/15/1294688515.db2.gz UEWWIJKGMRHPDE-INIZCTEOSA-N 1 1 347.478 3.163 20 10 EGCDMO CC(=O)c1ccc(N2CC[NH+](Cc3ccccc3O)CC2)c(F)c1 ZINC000179554387 1294803220 /nfs/dbraw/zinc/80/32/20/1294803220.db2.gz JQQGKJHGRHZWQN-UHFFFAOYSA-N 1 1 328.387 3.056 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)c1 ZINC000182360325 1295038285 /nfs/dbraw/zinc/03/82/85/1295038285.db2.gz ICKWBOBIOHCDKO-SNVBAGLBSA-N 1 1 331.397 3.363 20 10 EGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nc(-c3ccsc3)no2)c1 ZINC000182360308 1295039411 /nfs/dbraw/zinc/03/94/11/1295039411.db2.gz ICKWBOBIOHCDKO-JTQLQIEISA-N 1 1 331.397 3.363 20 10 EGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000184800322 1295219451 /nfs/dbraw/zinc/21/94/51/1295219451.db2.gz WQIMJWBKJHWPQN-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cccc(OC)c1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184800322 1295219459 /nfs/dbraw/zinc/21/94/59/1295219459.db2.gz WQIMJWBKJHWPQN-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cccc(OC)c1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184800322 1295219466 /nfs/dbraw/zinc/21/94/66/1295219466.db2.gz WQIMJWBKJHWPQN-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCOC(=O)N[C@H](C[NH2+][C@@H](C)c1ccc(F)cc1O)CC(C)C ZINC000184949361 1295231097 /nfs/dbraw/zinc/23/10/97/1295231097.db2.gz VQKRRNRCZWNHBK-JSGCOSHPSA-N 1 1 326.412 3.343 20 10 EGCDMO CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000187700135 1295410604 /nfs/dbraw/zinc/41/06/04/1295410604.db2.gz IFLFUPLKOQPIJG-STQMWFEESA-N 1 1 338.423 3.439 20 10 EGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193350162 1295856962 /nfs/dbraw/zinc/85/69/62/1295856962.db2.gz DAJQHVXSYDIODQ-IBGZPJMESA-N 1 1 335.444 3.120 20 10 EGCDMO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000245506409 1296310597 /nfs/dbraw/zinc/31/05/97/1296310597.db2.gz NXKADTOAEWSRQP-LJQANCHMSA-N 1 1 337.467 3.020 20 10 EGCDMO OCC[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000304280204 1296912508 /nfs/dbraw/zinc/91/25/08/1296912508.db2.gz JRAKXUQDEZQIIC-OAHLLOKOSA-N 1 1 336.229 3.368 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@](C)(CO)C2)c1O ZINC000305764272 1297046107 /nfs/dbraw/zinc/04/61/07/1297046107.db2.gz GKQVTBOTZZCFRX-OAHLLOKOSA-N 1 1 328.250 3.058 20 10 EGCDMO O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000874241344 1297825372 /nfs/dbraw/zinc/82/53/72/1297825372.db2.gz UJAIGOMYBPASJU-HXUWFJFHSA-N 1 1 341.499 3.310 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c1O ZINC000690781909 1298130284 /nfs/dbraw/zinc/13/02/84/1298130284.db2.gz NUAYOOGNXFWLNH-RISCZKNCSA-N 1 1 326.234 3.074 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000701928628 1298190834 /nfs/dbraw/zinc/19/08/34/1298190834.db2.gz QIKGJCNHUNYWDM-NWDGAFQWSA-N 1 1 326.412 3.437 20 10 EGCDMO COC(=O)c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)on1 ZINC000876721096 1298938291 /nfs/dbraw/zinc/93/82/91/1298938291.db2.gz GAYMNEXTZPRAPG-UHFFFAOYSA-N 1 1 330.384 3.112 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC4(CCOCC4)C3)cc2)CC1 ZINC000876745853 1298954935 /nfs/dbraw/zinc/95/49/35/1298954935.db2.gz QUSSFHQTDAOQRL-UHFFFAOYSA-N 1 1 344.499 3.040 20 10 EGCDMO CC(C)[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000876796933 1298991564 /nfs/dbraw/zinc/99/15/64/1298991564.db2.gz KPOLDKGOBQODPD-LJQANCHMSA-N 1 1 334.529 3.221 20 10 EGCDMO Cc1cccc(O)c1C[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000876811014 1299006569 /nfs/dbraw/zinc/00/65/69/1299006569.db2.gz FXAAYJOKZQUNOD-GJZGRUSLSA-N 1 1 334.460 3.436 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000749175554 1299159917 /nfs/dbraw/zinc/15/99/17/1299159917.db2.gz JTKWBERQBZCEMO-LJQANCHMSA-N 1 1 329.488 3.118 20 10 EGCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000749350838 1299198780 /nfs/dbraw/zinc/19/87/80/1299198780.db2.gz IVSHQWITOQHWBH-GOSISDBHSA-N 1 1 339.483 3.392 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@@H](C)O)c1O ZINC000750826853 1299459630 /nfs/dbraw/zinc/45/96/30/1299459630.db2.gz RNNILXQDTAIJRG-CYBMUJFWSA-N 1 1 331.387 3.117 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)cc1 ZINC000753590416 1299984335 /nfs/dbraw/zinc/98/43/35/1299984335.db2.gz NLOAUQSUBMVAOP-UHFFFAOYSA-N 1 1 331.504 3.412 20 10 EGCDMO CCC1CCC([N@@H+](CCO)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000754154460 1300096794 /nfs/dbraw/zinc/09/67/94/1300096794.db2.gz OZKJWELMXPJGFE-UHFFFAOYSA-N 1 1 346.515 3.286 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000879145842 1300398612 /nfs/dbraw/zinc/39/86/12/1300398612.db2.gz YLQWXFWWTFPMGY-WOJBJXKFSA-N 1 1 332.488 3.037 20 10 EGCDMO C[C@H]1C[C@@H]([NH2+]Cc2nnc3n2CCCCC3)c2c1c(F)ccc2O ZINC000756357696 1300474645 /nfs/dbraw/zinc/47/46/45/1300474645.db2.gz OVALEXDNIPPWOI-WCQYABFASA-N 1 1 330.407 3.187 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCNc2cccc(F)c2)c1 ZINC000757658361 1300705909 /nfs/dbraw/zinc/70/59/09/1300705909.db2.gz RGVOVMCYNZCNQG-ZDUSSCGKSA-N 1 1 346.402 3.471 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[N@H+](C)CC1 ZINC000758052271 1300777234 /nfs/dbraw/zinc/77/72/34/1300777234.db2.gz PZGRSZKLJBFJOY-UHFFFAOYSA-N 1 1 325.456 3.180 20 10 EGCDMO C[N@@H+](Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@@H]1CCNC1=O ZINC000758409009 1300875022 /nfs/dbraw/zinc/87/50/22/1300875022.db2.gz PXURRCQNBDALRS-MRXNPFEDSA-N 1 1 332.488 3.308 20 10 EGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000761225397 1301424653 /nfs/dbraw/zinc/42/46/53/1301424653.db2.gz GSGFBRKKLOXEPJ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cc(OC)ccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761225397 1301424658 /nfs/dbraw/zinc/42/46/58/1301424658.db2.gz GSGFBRKKLOXEPJ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cc(OC)ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000761225397 1301424664 /nfs/dbraw/zinc/42/46/64/1301424664.db2.gz GSGFBRKKLOXEPJ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCC/C=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761981938 1301581738 /nfs/dbraw/zinc/58/17/38/1301581738.db2.gz JTFRHNRVYFTRLP-OUOZUETKSA-N 1 1 336.863 3.483 20 10 EGCDMO C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cc2c(cc1O)CCCC2 ZINC000762650164 1301720762 /nfs/dbraw/zinc/72/07/62/1301720762.db2.gz POZXIRBCEQIBAZ-IAGOWNOFSA-N 1 1 346.515 3.423 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(O)cc2)cc1 ZINC000764825306 1302144110 /nfs/dbraw/zinc/14/41/10/1302144110.db2.gz PYBDUFRFITUFME-UHFFFAOYSA-N 1 1 341.455 3.309 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(O)cc2)cc1 ZINC000764825306 1302144113 /nfs/dbraw/zinc/14/41/13/1302144113.db2.gz PYBDUFRFITUFME-UHFFFAOYSA-N 1 1 341.455 3.309 20 10 EGCDMO CCN(CC)C(=O)c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882885437 1302147012 /nfs/dbraw/zinc/14/70/12/1302147012.db2.gz YCJKEHQULJIIRT-UHFFFAOYSA-N 1 1 348.393 3.442 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCO3)nnn1-c1ccccc1 ZINC000765609916 1302289721 /nfs/dbraw/zinc/28/97/21/1302289721.db2.gz RODLERCZFZSWJX-CQSZACIVSA-N 1 1 334.423 3.361 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)n1 ZINC000883290192 1302370424 /nfs/dbraw/zinc/37/04/24/1302370424.db2.gz NSDWKULFATVPDG-QGZVFWFLSA-N 1 1 338.499 3.301 20 10 EGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)[C@@H]1CCCc2ccccc21 ZINC000768441934 1302902400 /nfs/dbraw/zinc/90/24/00/1302902400.db2.gz RBRFDCQMDDZRFJ-IEBWSBKVSA-N 1 1 325.408 3.327 20 10 EGCDMO Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445683 1302907015 /nfs/dbraw/zinc/90/70/15/1302907015.db2.gz GMNICPZNLCFYDB-YLJYHZDGSA-N 1 1 339.435 3.334 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769423770 1303110916 /nfs/dbraw/zinc/11/09/16/1303110916.db2.gz IINHTSFVVFRLPY-GOEBONIOSA-N 1 1 334.460 3.436 20 10 EGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769457113 1303116944 /nfs/dbraw/zinc/11/69/44/1303116944.db2.gz QVQAWOSFPGWOQB-HNNXBMFYSA-N 1 1 333.432 3.053 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885940450 1303287983 /nfs/dbraw/zinc/28/79/83/1303287983.db2.gz JTMHZWRGPAXGCY-UHFFFAOYSA-N 1 1 328.416 3.468 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000885940450 1303287989 /nfs/dbraw/zinc/28/79/89/1303287989.db2.gz JTMHZWRGPAXGCY-UHFFFAOYSA-N 1 1 328.416 3.468 20 10 EGCDMO CCOc1ccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c(O)c1 ZINC000770667306 1303303294 /nfs/dbraw/zinc/30/32/94/1303303294.db2.gz OPNWSVPILLWUKP-HXUWFJFHSA-N 1 1 325.408 3.422 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C3(C)Cc4ccccc4C3)cc2)CC1 ZINC000771868761 1303451737 /nfs/dbraw/zinc/45/17/37/1303451737.db2.gz PJURHYPYSNBVTG-UHFFFAOYSA-N 1 1 335.495 3.086 20 10 EGCDMO CCOc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)c(O)c1 ZINC000771927145 1303462367 /nfs/dbraw/zinc/46/23/67/1303462367.db2.gz HCFZQNSNCORYRS-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000771938527 1303464850 /nfs/dbraw/zinc/46/48/50/1303464850.db2.gz NSEYSZFYVDGCSP-QGZVFWFLSA-N 1 1 338.451 3.407 20 10 EGCDMO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2c(O)cccc2F)cc1F ZINC000886500280 1303477886 /nfs/dbraw/zinc/47/78/86/1303477886.db2.gz NDLNYOPESSXQKJ-GFCCVEGCSA-N 1 1 334.366 3.059 20 10 EGCDMO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2c(O)cccc2F)cc1F ZINC000886500281 1303478040 /nfs/dbraw/zinc/47/80/40/1303478040.db2.gz NDLNYOPESSXQKJ-LBPRGKRZSA-N 1 1 334.366 3.059 20 10 EGCDMO COC[C@@]1(C[NH2+][C@H](C)c2c(O)cccc2F)OCCc2ccccc21 ZINC000886611105 1303523727 /nfs/dbraw/zinc/52/37/27/1303523727.db2.gz SJRHEUNCYMTHJW-JLTOFOAXSA-N 1 1 345.414 3.297 20 10 EGCDMO Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773616394 1303714879 /nfs/dbraw/zinc/71/48/79/1303714879.db2.gz JYTUHMXHWQPEDY-OAHLLOKOSA-N 1 1 343.475 3.050 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Cl)c(Cl)cc1O ZINC000774264952 1303791798 /nfs/dbraw/zinc/79/17/98/1303791798.db2.gz LZJHWDPFHBDAAK-YHAQOWFVSA-N 1 1 333.259 3.069 20 10 EGCDMO Cc1cccc2ncc(C[NH2+]Cc3cccc(Br)c3O)n21 ZINC000775145776 1303914918 /nfs/dbraw/zinc/91/49/18/1303914918.db2.gz KRPBASWNKNZLTM-UHFFFAOYSA-N 1 1 346.228 3.401 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775486448 1303971884 /nfs/dbraw/zinc/97/18/84/1303971884.db2.gz BCUUCJLQLAEZNE-RHSMWYFYSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775491650 1303973147 /nfs/dbraw/zinc/97/31/47/1303973147.db2.gz GRCQEJMLIPXTOT-QGZVFWFLSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775501230 1303975137 /nfs/dbraw/zinc/97/51/37/1303975137.db2.gz CNRMRRWYBXNINU-QGZVFWFLSA-N 1 1 339.911 3.114 20 10 EGCDMO CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775501230 1303975141 /nfs/dbraw/zinc/97/51/41/1303975141.db2.gz CNRMRRWYBXNINU-QGZVFWFLSA-N 1 1 339.911 3.114 20 10 EGCDMO CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775511462 1303976228 /nfs/dbraw/zinc/97/62/28/1303976228.db2.gz FYPSNUJWZLJRLH-QGZVFWFLSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1cc(Cl)ccc1[O-] ZINC000775553582 1303983241 /nfs/dbraw/zinc/98/32/41/1303983241.db2.gz DARJYQSVFCBCFI-PBHICJAKSA-N 1 1 339.911 3.112 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000775643326 1304001959 /nfs/dbraw/zinc/00/19/59/1304001959.db2.gz UIZMXBCEIJJCFA-MRXNPFEDSA-N 1 1 341.421 3.213 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000775643326 1304001966 /nfs/dbraw/zinc/00/19/66/1304001966.db2.gz UIZMXBCEIJJCFA-MRXNPFEDSA-N 1 1 341.421 3.213 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+](C)Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000775649869 1304003621 /nfs/dbraw/zinc/00/36/21/1304003621.db2.gz UIRBZOKEBGUAMD-UHFFFAOYSA-N 1 1 345.437 3.349 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccc(F)c(F)c3)cc2)CC1 ZINC000775649869 1304003626 /nfs/dbraw/zinc/00/36/26/1304003626.db2.gz UIRBZOKEBGUAMD-UHFFFAOYSA-N 1 1 345.437 3.349 20 10 EGCDMO CC[N@H+](CCC(F)(F)F)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775669136 1304010319 /nfs/dbraw/zinc/01/03/19/1304010319.db2.gz SOTLBTHZGIZLLI-UHFFFAOYSA-N 1 1 329.410 3.213 20 10 EGCDMO CC[N@@H+](CCC(F)(F)F)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775669136 1304010327 /nfs/dbraw/zinc/01/03/27/1304010327.db2.gz SOTLBTHZGIZLLI-UHFFFAOYSA-N 1 1 329.410 3.213 20 10 EGCDMO Cc1cccc(C[N@@H+]2C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]2C)c1O ZINC000775740217 1304025277 /nfs/dbraw/zinc/02/52/77/1304025277.db2.gz SWPFMEPDMBUZJP-GJZGRUSLSA-N 1 1 334.460 3.436 20 10 EGCDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000776103907 1304096959 /nfs/dbraw/zinc/09/69/59/1304096959.db2.gz ZZOHNMYBLAELSG-IAGOWNOFSA-N 1 1 346.519 3.377 20 10 EGCDMO CCc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776777727 1304198723 /nfs/dbraw/zinc/19/87/23/1304198723.db2.gz RHGVFPPPHKTPEE-INIZCTEOSA-N 1 1 328.460 3.291 20 10 EGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000779165819 1304538033 /nfs/dbraw/zinc/53/80/33/1304538033.db2.gz OGTTYDAQSGQJSD-GOSISDBHSA-N 1 1 347.459 3.320 20 10 EGCDMO CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495827 1304700088 /nfs/dbraw/zinc/70/00/88/1304700088.db2.gz RLCIFDYGNGOMSA-MRXNPFEDSA-N 1 1 340.345 3.484 20 10 EGCDMO Cn1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C1CC1 ZINC000891468694 1305058466 /nfs/dbraw/zinc/05/84/66/1305058466.db2.gz VUDATBRYRUOZQC-SFHVURJKSA-N 1 1 341.455 3.184 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@@H](C)O)c1O ZINC000785540472 1305372902 /nfs/dbraw/zinc/37/29/02/1305372902.db2.gz JXRUGXSNELNRQV-IETSOEAISA-N 1 1 325.836 3.230 20 10 EGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1cccc(Br)c1O ZINC000785989091 1305486297 /nfs/dbraw/zinc/48/62/97/1305486297.db2.gz QRMACQIDYWKRQS-UHIISALHSA-N 1 1 328.250 3.136 20 10 EGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cccc(Br)c1O ZINC000785989091 1305486300 /nfs/dbraw/zinc/48/63/00/1305486300.db2.gz QRMACQIDYWKRQS-UHIISALHSA-N 1 1 328.250 3.136 20 10 EGCDMO COc1ccc(C[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)c(O)c1OC ZINC000893531589 1305953717 /nfs/dbraw/zinc/95/37/17/1305953717.db2.gz MFVYESAUKMNCBF-INIZCTEOSA-N 1 1 347.386 3.202 20 10 EGCDMO C[C@@H]([NH2+]C[C@@](C)(O)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788689312 1305998322 /nfs/dbraw/zinc/99/83/22/1305998322.db2.gz VMPKMQKMWVIOJR-RDDDGLTNSA-N 1 1 331.256 3.375 20 10 EGCDMO C/C=C(/CC)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816362 1306219684 /nfs/dbraw/zinc/21/96/84/1306219684.db2.gz LPVDEZWAGUSCQN-LELDJUSMSA-N 1 1 336.863 3.483 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790983675 1308903588 /nfs/dbraw/zinc/90/35/88/1308903588.db2.gz ULMNREMPUXOPFD-JTQLQIEISA-N 1 1 346.830 3.435 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COC2(CCCCC2)O1 ZINC000790989299 1308905467 /nfs/dbraw/zinc/90/54/67/1308905467.db2.gz LATOHPHANRWTIB-LLVKDONJSA-N 1 1 329.799 3.350 20 10 EGCDMO COc1ccc(O)c([C@H](C)NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000791138227 1308926489 /nfs/dbraw/zinc/92/64/89/1308926489.db2.gz GDIIFYPNXMIBGG-AWEZNQCLSA-N 1 1 334.460 3.233 20 10 EGCDMO C[C@@]1(O)CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000793250116 1309330563 /nfs/dbraw/zinc/33/05/63/1309330563.db2.gz KOOMRIUUTTWONZ-LJQANCHMSA-N 1 1 347.459 3.322 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@@H+]3CC[C@]4(CCN(C)C4)C3)c2c1 ZINC000793742594 1309434823 /nfs/dbraw/zinc/43/48/23/1309434823.db2.gz GXFUKLAMAOWZKL-FQEVSTJZSA-N 1 1 326.440 3.082 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CC[C@]4(CCN(C)C4)C3)c2c1 ZINC000793742594 1309434824 /nfs/dbraw/zinc/43/48/24/1309434824.db2.gz GXFUKLAMAOWZKL-FQEVSTJZSA-N 1 1 326.440 3.082 20 10 EGCDMO Cc1ccc([C@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@H]4O)C2)c(C)c1 ZINC000794660579 1309567202 /nfs/dbraw/zinc/56/72/02/1309567202.db2.gz GQFGKCKVLAGGLJ-MGPUTAFESA-N 1 1 339.435 3.424 20 10 EGCDMO CC[C@@H]([NH2+]Cc1cccc(NC(=O)COC)c1)c1ccc(F)cc1O ZINC000796684872 1310064093 /nfs/dbraw/zinc/06/40/93/1310064093.db2.gz WQDJCUXENHPXKZ-QGZVFWFLSA-N 1 1 346.402 3.357 20 10 EGCDMO CC[C@H]([NH2+]CCNC(=O)c1ccc(C)c(F)c1)c1ccc(F)cc1O ZINC000796691382 1310066068 /nfs/dbraw/zinc/06/60/68/1310066068.db2.gz BWGNEDVWCRVARH-KRWDZBQOSA-N 1 1 348.393 3.450 20 10 EGCDMO CC[C@@H]([NH2+]Cc1ccc(OCCOC)nc1)c1ccc(F)cc1O ZINC000796695827 1310066278 /nfs/dbraw/zinc/06/62/78/1310066278.db2.gz POXZELVIGSWHFY-MRXNPFEDSA-N 1 1 334.391 3.192 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(C)cc2)c1 ZINC000797057561 1310134015 /nfs/dbraw/zinc/13/40/15/1310134015.db2.gz FWGFQVOCFSPJBA-KSMMKXTCSA-N 1 1 343.423 3.260 20 10 EGCDMO C[NH+](C)CC1(NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCC1 ZINC000798502041 1310373409 /nfs/dbraw/zinc/37/34/09/1310373409.db2.gz LIEUEVNGCHQXIM-UHFFFAOYSA-N 1 1 346.475 3.159 20 10 EGCDMO C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000799726210 1310606339 /nfs/dbraw/zinc/60/63/39/1310606339.db2.gz MJPBNYGWFNGWBP-INIZCTEOSA-N 1 1 341.499 3.222 20 10 EGCDMO C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000799726210 1310606345 /nfs/dbraw/zinc/60/63/45/1310606345.db2.gz MJPBNYGWFNGWBP-INIZCTEOSA-N 1 1 341.499 3.222 20 10 EGCDMO CCc1nc(C[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000898450335 1310742421 /nfs/dbraw/zinc/74/24/21/1310742421.db2.gz AREGYLAZHPOVCV-KRWDZBQOSA-N 1 1 332.517 3.164 20 10 EGCDMO CN(C)c1ccc([C@@H](CNCc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000898451551 1310742435 /nfs/dbraw/zinc/74/24/35/1310742435.db2.gz ZMAPJQKGFNCZGJ-OAQYLSRUSA-N 1 1 349.482 3.088 20 10 EGCDMO CCCC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)Cc1ccccc1O ZINC000801596798 1310971791 /nfs/dbraw/zinc/97/17/91/1310971791.db2.gz PGQLLVMWNHXGCK-IRXDYDNUSA-N 1 1 332.488 3.499 20 10 EGCDMO COc1cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825699766 1320356661 /nfs/dbraw/zinc/35/66/61/1320356661.db2.gz XOUDKBLJOWIQFP-NPMABZOXSA-N 1 1 339.501 3.041 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@H](C)[S@@](=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825699766 1320356667 /nfs/dbraw/zinc/35/66/67/1320356667.db2.gz XOUDKBLJOWIQFP-NPMABZOXSA-N 1 1 339.501 3.041 20 10 EGCDMO OCCOCC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CCC1 ZINC000827210905 1320434105 /nfs/dbraw/zinc/43/41/05/1320434105.db2.gz SXYUOCASBWCVFX-UHFFFAOYSA-N 1 1 341.451 3.423 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000802193143 1316986445 /nfs/dbraw/zinc/98/64/45/1316986445.db2.gz NXFNXGBOHMGALI-DOTOQJQBSA-N 1 1 333.476 3.187 20 10 EGCDMO CN(C)c1cc(F)c(CNCc2cccc(C[NH+](C)C)c2)cc1F ZINC000858092692 1328680141 /nfs/dbraw/zinc/68/01/41/1328680141.db2.gz ZALDJLBIOIUWBN-UHFFFAOYSA-N 1 1 333.426 3.382 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccnn3C)C2)cc1C(C)C ZINC000902578644 1317595899 /nfs/dbraw/zinc/59/58/99/1317595899.db2.gz URQQCXNDVBJFBE-LJQANCHMSA-N 1 1 329.444 3.131 20 10 EGCDMO CCc1cc(C[N@H+]2CCO[C@@H]3COCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000902626522 1317600525 /nfs/dbraw/zinc/60/05/25/1317600525.db2.gz ZESNUTAMMLTFPL-ZWKOTPCHSA-N 1 1 333.472 3.242 20 10 EGCDMO CC(=O)NCC[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000808218322 1317646549 /nfs/dbraw/zinc/64/65/49/1317646549.db2.gz ODTDGQKSOBZNFZ-MRXNPFEDSA-N 1 1 326.440 3.284 20 10 EGCDMO CN(C)c1ccc([C@@H](C[NH2+][C@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448404 1317701948 /nfs/dbraw/zinc/70/19/48/1317701948.db2.gz OOMZQJQDBQPSQT-DLBZAZTESA-N 1 1 344.528 3.479 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000809664414 1317859475 /nfs/dbraw/zinc/85/94/75/1317859475.db2.gz FJGYIVJMXOSBPI-GFCCVEGCSA-N 1 1 342.277 3.446 20 10 EGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809713818 1317873699 /nfs/dbraw/zinc/87/36/99/1317873699.db2.gz MWUKYMWJIZPEJW-LLVKDONJSA-N 1 1 328.815 3.065 20 10 EGCDMO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809713818 1317873702 /nfs/dbraw/zinc/87/37/02/1317873702.db2.gz MWUKYMWJIZPEJW-LLVKDONJSA-N 1 1 328.815 3.065 20 10 EGCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1c(O)ccc(Cl)c1F ZINC000809713818 1317873707 /nfs/dbraw/zinc/87/37/07/1317873707.db2.gz MWUKYMWJIZPEJW-LLVKDONJSA-N 1 1 328.815 3.065 20 10 EGCDMO COc1ccc(O)c(C[N@H+](CCc2ccccc2)CCN(C)C)c1 ZINC000809731286 1317881324 /nfs/dbraw/zinc/88/13/24/1317881324.db2.gz SMWAQIJIEKVLLO-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO COc1ccc(O)c(CN(CCc2ccccc2)CC[NH+](C)C)c1 ZINC000809731286 1317881332 /nfs/dbraw/zinc/88/13/32/1317881332.db2.gz SMWAQIJIEKVLLO-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO CCC[N@@H+](CCc1ccccn1)Cc1cc(OC)c(OC)cc1O ZINC000809734966 1317883568 /nfs/dbraw/zinc/88/35/68/1317883568.db2.gz UFEMGXKWQKYLDF-UHFFFAOYSA-N 1 1 330.428 3.259 20 10 EGCDMO CN(C)c1ccc(CN(C)CC[N@@H+](C)C2CC2)c(C(F)(F)F)c1 ZINC000809756055 1317892133 /nfs/dbraw/zinc/89/21/33/1317892133.db2.gz UOCXVVPURZPOIS-UHFFFAOYSA-N 1 1 329.410 3.297 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CCN(C)C2CC2)c(C(F)(F)F)c1 ZINC000809756055 1317892140 /nfs/dbraw/zinc/89/21/40/1317892140.db2.gz UOCXVVPURZPOIS-UHFFFAOYSA-N 1 1 329.410 3.297 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)CCN(C)C2CC2)c(C(F)(F)F)c1 ZINC000809756055 1317892147 /nfs/dbraw/zinc/89/21/47/1317892147.db2.gz UOCXVVPURZPOIS-UHFFFAOYSA-N 1 1 329.410 3.297 20 10 EGCDMO COc1ccc(O)c(C[N@@H+](CCc2ccccn2)Cc2ccncc2)c1 ZINC000809763877 1317893964 /nfs/dbraw/zinc/89/39/64/1317893964.db2.gz SBBSHNAESRDMMM-UHFFFAOYSA-N 1 1 349.434 3.436 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000809766257 1317896250 /nfs/dbraw/zinc/89/62/50/1317896250.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000809766257 1317896254 /nfs/dbraw/zinc/89/62/54/1317896254.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766257 1317896265 /nfs/dbraw/zinc/89/62/65/1317896265.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000809766257 1317896270 /nfs/dbraw/zinc/89/62/70/1317896270.db2.gz WJHHDMKEXIRWEN-SWLSCSKDSA-N 1 1 341.293 3.235 20 10 EGCDMO COc1ccc(N(Cc2cccs2)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000809960291 1317924446 /nfs/dbraw/zinc/92/44/46/1317924446.db2.gz UCYDYGFIQKTCAM-KRWDZBQOSA-N 1 1 346.496 3.218 20 10 EGCDMO Fc1cc(C[NH2+][C@@H]2CCCc3scnc32)ccc1N1CCOCC1 ZINC000858354244 1328742960 /nfs/dbraw/zinc/74/29/60/1328742960.db2.gz MJRCELIEAAYJNO-OAHLLOKOSA-N 1 1 347.459 3.286 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1O ZINC000811510777 1318188604 /nfs/dbraw/zinc/18/86/04/1318188604.db2.gz OPTITMGXLHSGKA-INIZCTEOSA-N 1 1 348.443 3.034 20 10 EGCDMO C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)c1ccc(F)cc1O ZINC000813880509 1318650872 /nfs/dbraw/zinc/65/08/72/1318650872.db2.gz GIKWTCCTSMMKNL-LBPRGKRZSA-N 1 1 326.371 3.234 20 10 EGCDMO CC[C@@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815566313 1319018053 /nfs/dbraw/zinc/01/80/53/1319018053.db2.gz PTPDDBRQTMDXNG-GHMZBOCLSA-N 1 1 332.366 3.366 20 10 EGCDMO C[C@H](C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)CN1CCOCC1 ZINC000815582390 1319020914 /nfs/dbraw/zinc/02/09/14/1319020914.db2.gz FGUGSOVUOCRKRY-CHWSQXEVSA-N 1 1 346.393 3.030 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1cccc(C(F)(F)F)c1O ZINC000815588046 1319022683 /nfs/dbraw/zinc/02/26/83/1319022683.db2.gz BGSPPHYZSDZWJA-KOLCDFICSA-N 1 1 325.334 3.342 20 10 EGCDMO CCO[C@@H]1COCC[C@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815616651 1319029094 /nfs/dbraw/zinc/02/90/94/1319029094.db2.gz UYMROSLKUDGNSU-LERXQTSPSA-N 1 1 333.350 3.256 20 10 EGCDMO COC(=O)CC[N@H+](Cc1ccc2ccccc2c1O)C[C@H]1CCCO1 ZINC000816513530 1319171575 /nfs/dbraw/zinc/17/15/75/1319171575.db2.gz TUESUYAOCBTVBM-QGZVFWFLSA-N 1 1 343.423 3.090 20 10 EGCDMO CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516850 1319173612 /nfs/dbraw/zinc/17/36/12/1319173612.db2.gz TWIXVBFRKQQKFH-AWEZNQCLSA-N 1 1 344.858 3.117 20 10 EGCDMO O=C1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1CCCCC1 ZINC000816569018 1319185772 /nfs/dbraw/zinc/18/57/72/1319185772.db2.gz WNSMZAMZAUBMGX-GFCCVEGCSA-N 1 1 340.826 3.208 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817299041 1319319831 /nfs/dbraw/zinc/31/98/31/1319319831.db2.gz SSYUZIPRYCPBLH-CYBMUJFWSA-N 1 1 325.836 3.233 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCO)CC2)c1O ZINC000817299041 1319319840 /nfs/dbraw/zinc/31/98/40/1319319840.db2.gz SSYUZIPRYCPBLH-CYBMUJFWSA-N 1 1 325.836 3.233 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2F)C[C@@H](C)O1 ZINC000817887901 1319451116 /nfs/dbraw/zinc/45/11/16/1319451116.db2.gz GRZXMFBFBQXSEQ-OHDICMOHSA-N 1 1 349.494 3.189 20 10 EGCDMO C[C@H](C[C@H]1CCCCC[NH2+]1)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000817892656 1319453563 /nfs/dbraw/zinc/45/35/63/1319453563.db2.gz VZJMOMRHLGJWHM-WSTZPKSXSA-N 1 1 345.531 3.485 20 10 EGCDMO COc1cccc2c1CC[C@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938761 1319467205 /nfs/dbraw/zinc/46/72/05/1319467205.db2.gz RPDBQDFNZXIEQK-RTBURBONSA-N 1 1 325.456 3.038 20 10 EGCDMO COc1ccc2c(c1F)CC[C@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940246 1319468426 /nfs/dbraw/zinc/46/84/26/1319468426.db2.gz DZHGGQVNZOMXFW-ZWKOTPCHSA-N 1 1 343.446 3.177 20 10 EGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942721 1319470461 /nfs/dbraw/zinc/47/04/61/1319470461.db2.gz QNWYUCVVVPTEMJ-MOPGFXCFSA-N 1 1 343.446 3.395 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817945774 1319471618 /nfs/dbraw/zinc/47/16/18/1319471618.db2.gz LPYWTOOHSBUAEI-SMDDNHRTSA-N 1 1 327.266 3.195 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCOc3ccccc32)cc1 ZINC000817944352 1319472322 /nfs/dbraw/zinc/47/23/22/1319472322.db2.gz ZQSSQYOGJNEQSD-OALUTQOASA-N 1 1 325.456 3.256 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000817967479 1319479747 /nfs/dbraw/zinc/47/97/47/1319479747.db2.gz JHKYLCFUYQDKCT-SGTLLEGYSA-N 1 1 340.423 3.489 20 10 EGCDMO COCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CC[NH2+]CC1 ZINC000817974940 1319482354 /nfs/dbraw/zinc/48/23/54/1319482354.db2.gz OMPXMXLNUXFCQO-CYBMUJFWSA-N 1 1 326.868 3.021 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000817977826 1319483952 /nfs/dbraw/zinc/48/39/52/1319483952.db2.gz QBGLDUBQXNNBMX-CYBMUJFWSA-N 1 1 340.423 3.388 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000817984840 1319487161 /nfs/dbraw/zinc/48/71/61/1319487161.db2.gz 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CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Cl)c1[O-] ZINC000287598069 456073389 /nfs/dbraw/zinc/07/33/89/456073389.db2.gz IMOQRPVSJPPABS-QGZVFWFLSA-N 1 1 339.911 3.114 20 10 EGCDMO Oc1ccccc1C[N@@H+](CC[C@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000289882682 456166621 /nfs/dbraw/zinc/16/66/21/456166621.db2.gz MDQGYJRFQOILHX-FPOVZHCZSA-N 1 1 341.451 3.497 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000271229744 456184033 /nfs/dbraw/zinc/18/40/33/456184033.db2.gz TXYJOCOIEZAOMQ-CQSZACIVSA-N 1 1 329.400 3.041 20 10 EGCDMO CC[N@@H+](Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1)C(C)C ZINC000236994824 456216206 /nfs/dbraw/zinc/21/62/06/456216206.db2.gz QUYYPZNKMDDEIK-UHFFFAOYSA-N 1 1 339.483 3.472 20 10 EGCDMO C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Br)cc1[O-] ZINC000273344621 456223551 /nfs/dbraw/zinc/22/35/51/456223551.db2.gz AGJKPGSEHRQLLZ-LLVKDONJSA-N 1 1 325.250 3.067 20 10 EGCDMO C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(Br)cc1[O-] ZINC000273344621 456223552 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COc1cccc(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000093611381 1292926277 /nfs/dbraw/zinc/92/62/77/1292926277.db2.gz OHCBBGDSPDUPMF-QGZVFWFLSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000093611381 1292926283 /nfs/dbraw/zinc/92/62/83/1292926283.db2.gz OHCBBGDSPDUPMF-QGZVFWFLSA-N 1 1 340.467 3.497 20 10 EGCDMO Cc1ccc2nc(NC(=O)C[N@@H+](C)Cc3ccccc3O)sc2c1 ZINC000111235695 1293101590 /nfs/dbraw/zinc/10/15/90/1293101590.db2.gz FALSJWYYQYVBFZ-UHFFFAOYSA-N 1 1 341.436 3.381 20 10 EGCDMO Cc1ccc2nc(NC(=O)C[N@H+](C)Cc3ccccc3O)sc2c1 ZINC000111235695 1293101591 /nfs/dbraw/zinc/10/15/91/1293101591.db2.gz FALSJWYYQYVBFZ-UHFFFAOYSA-N 1 1 341.436 3.381 20 10 EGCDMO Oc1ccccc1C[N@@H+](Cc1noc2c1CCCC2)C[C@H]1CCCO1 ZINC000111232875 1293102139 /nfs/dbraw/zinc/10/21/39/1293102139.db2.gz OGESLOZLMCBDGY-MRXNPFEDSA-N 1 1 342.439 3.440 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1noc2c1CCCC2)C[C@H]1CCCO1 ZINC000111232875 1293102141 /nfs/dbraw/zinc/10/21/41/1293102141.db2.gz 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EGCDMO Cc1cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)ccc1N1CCCCC1 ZINC000829973317 1292649457 /nfs/dbraw/zinc/64/94/57/1292649457.db2.gz CHZHAQHTVVAPHT-QGZVFWFLSA-N 1 1 338.442 3.435 20 10 EGCDMO Fc1ccc2c(c1)C[N@@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000093383763 1292918944 /nfs/dbraw/zinc/91/89/44/1292918944.db2.gz FCNYLBAZLJXCSP-UHFFFAOYSA-N 1 1 344.405 3.360 20 10 EGCDMO Fc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)CC2 ZINC000093383763 1292918952 /nfs/dbraw/zinc/91/89/52/1292918952.db2.gz FCNYLBAZLJXCSP-UHFFFAOYSA-N 1 1 344.405 3.360 20 10 EGCDMO COc1cccc(C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1O ZINC000093529952 1292923582 /nfs/dbraw/zinc/92/35/82/1292923582.db2.gz RQMBUEZCXCRNJN-SFHVURJKSA-N 1 1 329.440 3.420 20 10 EGCDMO CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605244 1292926161 /nfs/dbraw/zinc/92/61/61/1292926161.db2.gz QCQYPAWGPYOPNJ-OALUTQOASA-N 1 1 332.488 3.159 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CCC[C@H]2CSC)c1O ZINC000093760761 1292930634 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ZINC000119894893 1293293381 /nfs/dbraw/zinc/29/33/81/1293293381.db2.gz URMQBUZJOXYAPN-UHFFFAOYSA-N 1 1 332.469 3.170 20 10 EGCDMO CC(C)(C)C(=O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000128287212 1293588596 /nfs/dbraw/zinc/58/85/96/1293588596.db2.gz YCUKYGWDFZUUJH-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO C[NH+](C)CC(=O)Nc1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000132069053 1293707905 /nfs/dbraw/zinc/70/79/05/1293707905.db2.gz SHSCWTCXLKUURY-UHFFFAOYSA-N 1 1 333.819 3.158 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+](C)CC(=O)OC(C)(C)C)c2c1 ZINC000152133953 1293955146 /nfs/dbraw/zinc/95/51/46/1293955146.db2.gz KEFZBVOGQXNBFJ-UHFFFAOYSA-N 1 1 331.412 3.328 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@@H+](C)CC(=O)OC(C)(C)C)c2c1 ZINC000152133953 1293955151 /nfs/dbraw/zinc/95/51/51/1293955151.db2.gz KEFZBVOGQXNBFJ-UHFFFAOYSA-N 1 1 331.412 3.328 20 10 EGCDMO CCOc1cccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000160187899 1294262077 /nfs/dbraw/zinc/26/20/77/1294262077.db2.gz OTTPYOUVPXVNPT-SFHVURJKSA-N 1 1 342.439 3.367 20 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/nfs/dbraw/zinc/80/43/53/1294804353.db2.gz QLFQOTMRYUAPJX-UHFFFAOYSA-N 1 1 338.238 3.416 20 10 EGCDMO COc1cc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c(O)cc1C ZINC000184895140 1295226192 /nfs/dbraw/zinc/22/61/92/1295226192.db2.gz AVDGGHZGFLIODD-CQSZACIVSA-N 1 1 347.484 3.045 20 10 EGCDMO CCOC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000187700169 1295410489 /nfs/dbraw/zinc/41/04/89/1295410489.db2.gz IFLFUPLKOQPIJG-QWHCGFSZSA-N 1 1 338.423 3.439 20 10 EGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000193418261 1295864916 /nfs/dbraw/zinc/86/49/16/1295864916.db2.gz NUQNQCLKTIOVKU-QGZVFWFLSA-N 1 1 345.439 3.181 20 10 EGCDMO CCOC(=O)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000194841672 1296015287 /nfs/dbraw/zinc/01/52/87/1296015287.db2.gz OPIQCJWREFOUMV-UHFFFAOYSA-N 1 1 328.412 3.210 20 10 EGCDMO CC(C)[NH+](CCNCc1cc(Br)ccc1O)C(C)C ZINC000227434679 1296143859 /nfs/dbraw/zinc/14/38/59/1296143859.db2.gz GRKPLIHXUASDEG-UHFFFAOYSA-N 1 1 329.282 3.363 20 10 EGCDMO C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150564 /nfs/dbraw/zinc/15/05/64/1296150564.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 1 1 339.277 3.071 20 10 EGCDMO C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(Br)c3[O-])CC[C@H]21 ZINC000228183409 1296150567 /nfs/dbraw/zinc/15/05/67/1296150567.db2.gz MLYBDRGLZBETHT-IUODEOHRSA-N 1 1 339.277 3.071 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1 ZINC000246838498 1296373023 /nfs/dbraw/zinc/37/30/23/1296373023.db2.gz KJAOYSNDUKCBRU-GDBMZVCRSA-N 1 1 337.485 3.102 20 10 EGCDMO COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000872134199 1296758863 /nfs/dbraw/zinc/75/88/63/1296758863.db2.gz AJOHCARLFQPVCT-HNYWDRBLSA-N 1 1 349.402 3.321 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(N)cc1 ZINC000398144243 1297715373 /nfs/dbraw/zinc/71/53/73/1297715373.db2.gz NJHLYWUHULYRPF-HNAYVOBHSA-N 1 1 338.455 3.301 20 10 EGCDMO CC(C)(C)OC(=O)NCCCC[NH2+]Cc1cc(F)cc(F)c1O ZINC000708485110 1298239527 /nfs/dbraw/zinc/23/95/27/1298239527.db2.gz KVGIBUZMIZGRAT-UHFFFAOYSA-N 1 1 330.375 3.065 20 10 EGCDMO C[C@@H](NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1O ZINC000875478040 1298354832 /nfs/dbraw/zinc/35/48/32/1298354832.db2.gz WHPUEZNANUHHTJ-XHSDSOJGSA-N 1 1 345.487 3.405 20 10 EGCDMO CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C)cc1O ZINC000876536483 1298811854 /nfs/dbraw/zinc/81/18/54/1298811854.db2.gz PZHBLDUUFVTVMY-UHFFFAOYSA-N 1 1 328.412 3.170 20 10 EGCDMO Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC000876569864 1298834990 /nfs/dbraw/zinc/83/49/90/1298834990.db2.gz YHKJJYHSSOCZID-UHFFFAOYSA-N 1 1 342.414 3.188 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543205 1299234337 /nfs/dbraw/zinc/23/43/37/1299234337.db2.gz LGKNBWZXJTXWBJ-CJNGLKHVSA-N 1 1 330.453 3.094 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=CC(=O)CS1 ZINC000749543209 1299235138 /nfs/dbraw/zinc/23/51/38/1299235138.db2.gz LGKNBWZXJTXWBJ-XJKSGUPXSA-N 1 1 330.453 3.094 20 10 EGCDMO C[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877317557 1299246875 /nfs/dbraw/zinc/24/68/75/1299246875.db2.gz RQDPBRQJSAPMCA-INIZCTEOSA-N 1 1 325.456 3.236 20 10 EGCDMO CCOC1CC2(C1)CC[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877520262 1299363761 /nfs/dbraw/zinc/36/37/61/1299363761.db2.gz QXMYDTUHDGOOKP-UHFFFAOYSA-N 1 1 344.499 3.039 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](OCc3ccccn3)C2)c1O ZINC000877645650 1299453611 /nfs/dbraw/zinc/45/36/11/1299453611.db2.gz RDISYQYINMGIRE-MRXNPFEDSA-N 1 1 348.830 3.240 20 10 EGCDMO Cc1cc(C)c(O)c(C[NH+]2CCN(C(=O)c3ccsc3)CC2)c1 ZINC000754726955 1300202009 /nfs/dbraw/zinc/20/20/09/1300202009.db2.gz BWFPSFODVHPQQF-UHFFFAOYSA-N 1 1 330.453 3.029 20 10 EGCDMO C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358605 1300475460 /nfs/dbraw/zinc/47/54/60/1300475460.db2.gz KSNUGHYWJPQJNL-HNNXBMFYSA-N 1 1 343.427 3.473 20 10 EGCDMO C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358605 1300475464 /nfs/dbraw/zinc/47/54/64/1300475464.db2.gz KSNUGHYWJPQJNL-HNNXBMFYSA-N 1 1 343.427 3.473 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000756448584 1300494830 /nfs/dbraw/zinc/49/48/30/1300494830.db2.gz CLMUXXKNVYCPCN-GJZGRUSLSA-N 1 1 348.487 3.340 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000756482372 1300503223 /nfs/dbraw/zinc/50/32/23/1300503223.db2.gz JKXYRPKCMSWESG-CQSZACIVSA-N 1 1 329.396 3.217 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2OCCc3ccccc32)c1 ZINC000756709363 1300550359 /nfs/dbraw/zinc/55/03/59/1300550359.db2.gz XVAKPOLXUDKSMK-YJYMSZOUSA-N 1 1 341.407 3.143 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCNc2cccc(F)c2)c1 ZINC000757658359 1300706210 /nfs/dbraw/zinc/70/62/10/1300706210.db2.gz RGVOVMCYNZCNQG-CYBMUJFWSA-N 1 1 346.402 3.471 20 10 EGCDMO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000760661767 1301317079 /nfs/dbraw/zinc/31/70/79/1301317079.db2.gz UCLRCWKFFHWYRP-OAHLLOKOSA-N 1 1 329.410 3.259 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000761185071 1301416074 /nfs/dbraw/zinc/41/60/74/1301416074.db2.gz YQBXEBKHVJRMLD-CQSZACIVSA-N 1 1 349.814 3.326 20 10 EGCDMO COc1cc(Cl)cc(CN2CCC[N@H+](C(C)(C)C)CC2)c1O ZINC000761196235 1301418626 /nfs/dbraw/zinc/41/86/26/1301418626.db2.gz ZKMULVKKIDJUMA-UHFFFAOYSA-N 1 1 326.868 3.360 20 10 EGCDMO CS/C=C/C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761980508 1301581532 /nfs/dbraw/zinc/58/15/32/1301581532.db2.gz CMMUSDUOAJCOMP-OWNNVSBGSA-N 1 1 340.876 3.003 20 10 EGCDMO C[C@@H]([NH2+][C@H](C(=O)N(C)C)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000765436887 1302264439 /nfs/dbraw/zinc/26/44/39/1302264439.db2.gz JEDBEVTVUWZQSC-BEFAXECRSA-N 1 1 325.456 3.233 20 10 EGCDMO C[C@@H]1C[C@@H](NCc2cc(Br)cc(F)c2[O-])c2nccn21 ZINC000883135329 1302266377 /nfs/dbraw/zinc/26/63/77/1302266377.db2.gz BQUBODSHQANSAH-PRHODGIISA-N 1 1 340.196 3.286 20 10 EGCDMO CCc1noc(C)c1[C@H](C)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000883289724 1302370150 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C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1C2CC3CC(C2)CC1C3 ZINC000768439415 1302901208 /nfs/dbraw/zinc/90/12/08/1302901208.db2.gz LNAAGIGNPLEXRC-VOXQOMFCSA-N 1 1 329.440 3.075 20 10 EGCDMO COc1ccc(Cl)cc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440801 1302902751 /nfs/dbraw/zinc/90/27/51/1302902751.db2.gz DZISTFYZRODGCH-INIZCTEOSA-N 1 1 349.814 3.112 20 10 EGCDMO Cc1ccccc1OCCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768443194 1302903583 /nfs/dbraw/zinc/90/35/83/1302903583.db2.gz RGJKIBCFSGDRTI-GOSISDBHSA-N 1 1 343.423 3.027 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)[C@H]1CCc3ccccc31)[C@@H](O)CO2 ZINC000768444980 1302907571 /nfs/dbraw/zinc/90/75/71/1302907571.db2.gz ZVXPNTPMUDXGIP-ICSRJNTNSA-N 1 1 337.419 3.470 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000768529394 1302925550 /nfs/dbraw/zinc/92/55/50/1302925550.db2.gz MZGFYNXNDCNEEL-HNNXBMFYSA-N 1 1 335.444 3.345 20 10 EGCDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000769008421 1303031387 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/nfs/dbraw/zinc/91/35/06/1302913506.db2.gz QBPFPHNHAOFKBJ-GOSISDBHSA-N 1 1 325.408 3.111 20 10 EGCDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C[C@H]1CCOC1 ZINC000768520933 1302923135 /nfs/dbraw/zinc/92/31/35/1302923135.db2.gz HUKOAYFDFQIMMI-LLVKDONJSA-N 1 1 344.249 3.022 20 10 EGCDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1O ZINC000768764768 1302973707 /nfs/dbraw/zinc/97/37/07/1302973707.db2.gz BAQCMGSZHHLQFB-KDOFPFPSSA-N 1 1 338.411 3.353 20 10 EGCDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@@H]1O ZINC000768764768 1302973714 /nfs/dbraw/zinc/97/37/14/1302973714.db2.gz BAQCMGSZHHLQFB-KDOFPFPSSA-N 1 1 338.411 3.353 20 10 EGCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000769032135 1303034353 /nfs/dbraw/zinc/03/43/53/1303034353.db2.gz BHCNGYSLIUWMOP-UHFFFAOYSA-N 1 1 343.446 3.122 20 10 EGCDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000769202038 1303069269 /nfs/dbraw/zinc/06/92/69/1303069269.db2.gz LVBLBJRZOCNPNB-INIZCTEOSA-N 1 1 348.487 3.309 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000769309934 1303089803 /nfs/dbraw/zinc/08/98/03/1303089803.db2.gz ICWZSOKLUHTCPY-CQSZACIVSA-N 1 1 336.233 3.188 20 10 EGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000769380566 1303102870 /nfs/dbraw/zinc/10/28/70/1303102870.db2.gz KGEAJKUJLKGTNF-MRXNPFEDSA-N 1 1 346.475 3.111 20 10 EGCDMO CC[N@H+]1C[C@@H](C)N(Cc2cc(Br)ccc2O)C[C@H]1C ZINC000769465196 1303118580 /nfs/dbraw/zinc/11/85/80/1303118580.db2.gz DIJYBJVMLGODJX-VXGBXAGGSA-N 1 1 327.266 3.069 20 10 EGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119332 /nfs/dbraw/zinc/11/93/32/1303119332.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 1 1 341.839 3.258 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119337 /nfs/dbraw/zinc/11/93/37/1303119337.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 1 1 341.839 3.258 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C ZINC000769470265 1303119340 /nfs/dbraw/zinc/11/93/40/1303119340.db2.gz KDBVWHINADDOHE-SMDDNHRTSA-N 1 1 341.839 3.258 20 10 EGCDMO COc1ccc2c(c1)nc(C[NH2+]Cc1c(O)cccc1Cl)n2C ZINC000769938217 1303195590 /nfs/dbraw/zinc/19/55/90/1303195590.db2.gz VIKLHJDABZQAFV-UHFFFAOYSA-N 1 1 331.803 3.231 20 10 EGCDMO COCC[N@@H+](CCCOc1ccc(F)cc1)Cc1ccccc1O ZINC000770510863 1303280041 /nfs/dbraw/zinc/28/00/41/1303280041.db2.gz SRNHIYMKEVEIFE-UHFFFAOYSA-N 1 1 333.403 3.449 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4CCC[C@H]4C3)cc2)CC1 ZINC000771841698 1303448670 /nfs/dbraw/zinc/44/86/70/1303448670.db2.gz JZWWYVAOLJIJPB-HSALFYBXSA-N 1 1 327.516 3.497 20 10 EGCDMO Cc1ccc([C@@H](C[NH2+][C@@H](C)c2c(O)cccc2F)N2CCOCC2)o1 ZINC000886495186 1303476595 /nfs/dbraw/zinc/47/65/95/1303476595.db2.gz LSGUFJAWNWICQX-GOEBONIOSA-N 1 1 348.418 3.157 20 10 EGCDMO Cc1ccc([C@H](C[NH2+][C@@H](C)c2c(O)cccc2F)N2CCOCC2)o1 ZINC000886495187 1303476626 /nfs/dbraw/zinc/47/66/26/1303476626.db2.gz LSGUFJAWNWICQX-HOCLYGCPSA-N 1 1 348.418 3.157 20 10 EGCDMO COc1cc([C@@H](C)[NH2+][C@H](C)c2c(O)cccc2F)ccc1OCCO ZINC000886510948 1303481844 /nfs/dbraw/zinc/48/18/44/1303481844.db2.gz DGBNGSBSUJSYGG-CHWSQXEVSA-N 1 1 349.402 3.323 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCN(C(=O)Nc2ccccc2)C1)c1c(O)cccc1F ZINC000886607128 1303521397 /nfs/dbraw/zinc/52/13/97/1303521397.db2.gz LKMCFCQZBVBCFL-HIFRSBDPSA-N 1 1 343.402 3.488 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1c(O)cccc1F ZINC000886611228 1303523702 /nfs/dbraw/zinc/52/37/02/1303523702.db2.gz WUJNXUVIMIJTPV-ZIAGYGMSSA-N 1 1 346.402 3.192 20 10 EGCDMO C[C@@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1c(O)cccc1F ZINC000886640151 1303535471 /nfs/dbraw/zinc/53/54/71/1303535471.db2.gz SNZCOEBAEKGCEN-XLKFXECMSA-N 1 1 329.293 3.333 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+]C3CC4(CCC4)C3)cc2F)CC1 ZINC000772880576 1303589530 /nfs/dbraw/zinc/58/95/30/1303589530.db2.gz VIZSDXRYDLFPBP-UHFFFAOYSA-N 1 1 331.479 3.390 20 10 EGCDMO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)ncn1 ZINC000773105570 1303626167 /nfs/dbraw/zinc/62/61/67/1303626167.db2.gz HWWDAYXXMPDHAM-CQSZACIVSA-N 1 1 346.862 3.126 20 10 EGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773291303 1303655991 /nfs/dbraw/zinc/65/59/91/1303655991.db2.gz JCZJRYRJQDAOGB-AEFFLSMTSA-N 1 1 346.519 3.377 20 10 EGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000773329235 1303663038 /nfs/dbraw/zinc/66/30/38/1303663038.db2.gz ZNDXODXDDPSTRO-HXUWFJFHSA-N 1 1 342.439 3.352 20 10 EGCDMO C[C@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Cl)c(Cl)cc1O ZINC000774159659 1303780588 /nfs/dbraw/zinc/78/05/88/1303780588.db2.gz UFAAICWMUSGXBP-GXSJLCMTSA-N 1 1 334.243 3.137 20 10 EGCDMO COc1c(O)c(C[NH2+]CCCOc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000774950159 1303881479 /nfs/dbraw/zinc/88/14/79/1303881479.db2.gz COKFSCLNBXCRFS-UHFFFAOYSA-N 1 1 346.383 3.176 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774989634 1303886195 /nfs/dbraw/zinc/88/61/95/1303886195.db2.gz IWYODQBKNFOQQR-NSHDSACASA-N 1 1 334.347 3.341 20 10 EGCDMO COc1c(O)c(C[NH2+]Cc2ccc(F)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000774989235 1303886264 /nfs/dbraw/zinc/88/62/64/1303886264.db2.gz MBNMAGOKVVZTGG-UHFFFAOYSA-N 1 1 340.738 3.391 20 10 EGCDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3c(O)cccc3Cl)nc2c1 ZINC000775178325 1303920077 /nfs/dbraw/zinc/92/00/77/1303920077.db2.gz GERPEHWCXOZWMD-UHFFFAOYSA-N 1 1 332.747 3.120 20 10 EGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000775200356 1303923637 /nfs/dbraw/zinc/92/36/37/1303923637.db2.gz JMULHKOGIAMYJD-IBGZPJMESA-N 1 1 335.444 3.202 20 10 EGCDMO Cc1cccc(C[N@H+](C[C@@H](O)COc2ccccc2)C(C)C)c1O ZINC000775199433 1303924215 /nfs/dbraw/zinc/92/42/15/1303924215.db2.gz IRFZMHFBHOYRKQ-GOSISDBHSA-N 1 1 329.440 3.351 20 10 EGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775206024 1303925316 /nfs/dbraw/zinc/92/53/16/1303925316.db2.gz UBKPQNKTLALAIN-KRWDZBQOSA-N 1 1 338.404 3.090 20 10 EGCDMO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258295 1303930543 /nfs/dbraw/zinc/93/05/43/1303930543.db2.gz WNFHNMGTSULNJQ-IEBWSBKVSA-N 1 1 331.504 3.048 20 10 EGCDMO C[C@@H](NCC[C@H]1CCCC[N@H+]1C)c1ccc(N2CCOCC2)cc1 ZINC000775258295 1303930550 /nfs/dbraw/zinc/93/05/50/1303930550.db2.gz WNFHNMGTSULNJQ-IEBWSBKVSA-N 1 1 331.504 3.048 20 10 EGCDMO C[C@@H]([NH2+]CC[C@H]1CCCCN1C)c1ccc(N2CCOCC2)cc1 ZINC000775258295 1303930556 /nfs/dbraw/zinc/93/05/56/1303930556.db2.gz WNFHNMGTSULNJQ-IEBWSBKVSA-N 1 1 331.504 3.048 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1 ZINC000775586531 1303989150 /nfs/dbraw/zinc/98/91/50/1303989150.db2.gz RTBGVVOOHRSYON-QANKJYHBSA-N 1 1 335.444 3.423 20 10 EGCDMO CCN1C[C@@H](C[N@@H+](C)Cc2cc(OC)ccc2O)Oc2ccccc21 ZINC000775647670 1304003711 /nfs/dbraw/zinc/00/37/11/1304003711.db2.gz XUHDFIUBDPBFHG-QGZVFWFLSA-N 1 1 342.439 3.120 20 10 EGCDMO COC(=O)[C@H]1C[C@@H](C)CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000776003089 1304076788 /nfs/dbraw/zinc/07/67/88/1304076788.db2.gz WPHKARHMFCEQNV-QFBILLFUSA-N 1 1 330.472 3.450 20 10 EGCDMO COC(=O)[C@H]1C[C@@H](C)CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000776003089 1304076794 /nfs/dbraw/zinc/07/67/94/1304076794.db2.gz WPHKARHMFCEQNV-QFBILLFUSA-N 1 1 330.472 3.450 20 10 EGCDMO C[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776103402 1304097536 /nfs/dbraw/zinc/09/75/36/1304097536.db2.gz VQUQMPVIMNHWNG-RHSMWYFYSA-N 1 1 344.459 3.009 20 10 EGCDMO CCOCCOC1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000779431776 1304570758 /nfs/dbraw/zinc/57/07/58/1304570758.db2.gz DUZAWLYWWCKRFX-UHFFFAOYSA-N 1 1 327.424 3.297 20 10 EGCDMO Cc1cc(O)c(CN2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)cc1C(C)C ZINC000780480097 1304698167 /nfs/dbraw/zinc/69/81/67/1304698167.db2.gz KQINTGHZUTZRFT-INIZCTEOSA-N 1 1 334.504 3.101 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCN(CC(C)(C)O)C[C@@H]2C)cc1C(C)C ZINC000780480097 1304698172 /nfs/dbraw/zinc/69/81/72/1304698172.db2.gz KQINTGHZUTZRFT-INIZCTEOSA-N 1 1 334.504 3.101 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCN(CC(C)(C)O)C[C@@H]2C)cc1C(C)C ZINC000780480097 1304698178 /nfs/dbraw/zinc/69/81/78/1304698178.db2.gz KQINTGHZUTZRFT-INIZCTEOSA-N 1 1 334.504 3.101 20 10 EGCDMO CC[NH+]1CCC([N@H+](C)Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781895700 1304888066 /nfs/dbraw/zinc/88/80/66/1304888066.db2.gz WQEORUISVNFNHC-UHFFFAOYSA-N 1 1 341.293 3.379 20 10 EGCDMO CC[NH+]1CCC([N@@H+](C)Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781895700 1304888074 /nfs/dbraw/zinc/88/80/74/1304888074.db2.gz WQEORUISVNFNHC-UHFFFAOYSA-N 1 1 341.293 3.379 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+](C)C[C@H]2CCCCO2)c1 ZINC000781902707 1304888686 /nfs/dbraw/zinc/88/86/86/1304888686.db2.gz SPCAOPREOZIDIU-CYBMUJFWSA-N 1 1 328.250 3.464 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+](C)C[C@H]2CCCCO2)c1 ZINC000781902707 1304888694 /nfs/dbraw/zinc/88/86/94/1304888694.db2.gz SPCAOPREOZIDIU-CYBMUJFWSA-N 1 1 328.250 3.464 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000783592535 1305113755 /nfs/dbraw/zinc/11/37/55/1305113755.db2.gz IPDWSQIZXRFLFP-DUXKGJEZSA-N 1 1 327.516 3.449 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000783592535 1305113762 /nfs/dbraw/zinc/11/37/62/1305113762.db2.gz IPDWSQIZXRFLFP-DUXKGJEZSA-N 1 1 327.516 3.449 20 10 EGCDMO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891806025 1305173023 /nfs/dbraw/zinc/17/30/23/1305173023.db2.gz UWAGMSYVIJBXEN-KBXCAEBGSA-N 1 1 343.423 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000788276198 1305913742 /nfs/dbraw/zinc/91/37/42/1305913742.db2.gz SUHQHULVRHIRPB-KDOFPFPSSA-N 1 1 326.440 3.040 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000788276198 1305913746 /nfs/dbraw/zinc/91/37/46/1305913746.db2.gz SUHQHULVRHIRPB-KDOFPFPSSA-N 1 1 326.440 3.040 20 10 EGCDMO CNC(=O)C1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788576486 1305973255 /nfs/dbraw/zinc/97/32/55/1305973255.db2.gz ZQTYZEOHPCRXNK-VOMCLLRMSA-N 1 1 344.377 3.366 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)[C@]3(C)CCCO3)cc2F)CC1 ZINC000788595491 1305977646 /nfs/dbraw/zinc/97/76/46/1305977646.db2.gz UNJBOEPPRYOZDD-UZLBHIALSA-N 1 1 349.494 3.015 20 10 EGCDMO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC000788630949 1305987432 /nfs/dbraw/zinc/98/74/32/1305987432.db2.gz KAAITPDEMXIFEY-QWRGUYRKSA-N 1 1 330.350 3.073 20 10 EGCDMO CCn1cccc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)c1=O ZINC000788796433 1306017757 /nfs/dbraw/zinc/01/77/57/1306017757.db2.gz RNWHSNYSHSFAMF-NSHDSACASA-N 1 1 340.345 3.443 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460771 1306330169 /nfs/dbraw/zinc/33/01/69/1306330169.db2.gz PQUSRDIGNVSNIL-MRXNPFEDSA-N 1 1 330.472 3.195 20 10 EGCDMO C[N@@H+](CCc1ccccn1)Cc1cc(Br)cc(F)c1[O-] ZINC000894448061 1308895405 /nfs/dbraw/zinc/89/54/05/1308895405.db2.gz ADJJRASWSQODGQ-UHFFFAOYSA-N 1 1 339.208 3.363 20 10 EGCDMO C[NH+]1CCC(N(Cc2ccco2)Cc2cc(F)cc(F)c2O)CC1 ZINC000894781292 1309068151 /nfs/dbraw/zinc/06/81/51/1309068151.db2.gz FVRWHGAGNHLHJO-UHFFFAOYSA-N 1 1 336.382 3.360 20 10 EGCDMO C[C@H](O)C[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C1CC1 ZINC000895193352 1309232988 /nfs/dbraw/zinc/23/29/88/1309232988.db2.gz WCDQJNBTSHCBDD-QMMMGPOBSA-N 1 1 334.641 3.153 20 10 EGCDMO CN(C)c1ccc(CNC[C@@H](C2CC2)[NH+](C)C)c(C(F)(F)F)c1 ZINC000792919887 1309259675 /nfs/dbraw/zinc/25/96/75/1309259675.db2.gz NFIZQZUHJCGAJN-INIZCTEOSA-N 1 1 329.410 3.201 20 10 EGCDMO CN(C)c1ccc(CNCC2([NH+](C)C)CCC2)c(C(F)(F)F)c1 ZINC000793160571 1309307783 /nfs/dbraw/zinc/30/77/83/1309307783.db2.gz SVAPDFGLEUYRJI-UHFFFAOYSA-N 1 1 329.410 3.345 20 10 EGCDMO COc1cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c(O)cc1C ZINC000795644224 1309797441 /nfs/dbraw/zinc/79/74/41/1309797441.db2.gz KNVRUEIKULMKQI-UHFFFAOYSA-N 1 1 330.384 3.292 20 10 EGCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708182 1309813506 /nfs/dbraw/zinc/81/35/06/1309813506.db2.gz SAKVSWBZRAADOT-PBHICJAKSA-N 1 1 332.488 3.454 20 10 EGCDMO C[C@@H]1C[C@H](N2CCCC2)C[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000795708182 1309813508 /nfs/dbraw/zinc/81/35/08/1309813508.db2.gz SAKVSWBZRAADOT-PBHICJAKSA-N 1 1 332.488 3.454 20 10 EGCDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000795748996 1309826232 /nfs/dbraw/zinc/82/62/32/1309826232.db2.gz HZGKDRTYFHOTKW-AWEZNQCLSA-N 1 1 331.416 3.424 20 10 EGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc(C(C)(C)C)cc(O)c2O)n1 ZINC000795748996 1309826242 /nfs/dbraw/zinc/82/62/42/1309826242.db2.gz HZGKDRTYFHOTKW-AWEZNQCLSA-N 1 1 331.416 3.424 20 10 EGCDMO CC[C@H]([NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796973800 1310118320 /nfs/dbraw/zinc/11/83/20/1310118320.db2.gz AZTUJWJGXZXEEP-FZMZJTMJSA-N 1 1 326.412 3.485 20 10 EGCDMO CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817982624 1319485132 /nfs/dbraw/zinc/48/51/32/1319485132.db2.gz URBBNXPJZFMLMT-JKOKRWQUSA-N 1 1 327.266 3.323 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c(O)cc1C ZINC000799153081 1310493547 /nfs/dbraw/zinc/49/35/47/1310493547.db2.gz BZPSQMLOSBICHP-RNJTYBCJSA-N 1 1 333.472 3.471 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000799577169 1310580664 /nfs/dbraw/zinc/58/06/64/1310580664.db2.gz OBGPPGAVAHGECA-AFBRZQFHSA-N 1 1 345.439 3.291 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)cc1 ZINC000823459346 1320180877 /nfs/dbraw/zinc/18/08/77/1320180877.db2.gz RSNBWCYUQOKDKU-SFHVURJKSA-N 1 1 343.496 3.047 20 10 EGCDMO COC[C@@]1(C)CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000824576646 1320267238 /nfs/dbraw/zinc/26/72/38/1320267238.db2.gz PYWIHQWWYYESFH-IBGZPJMESA-N 1 1 347.459 3.444 20 10 EGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000824596189 1320268422 /nfs/dbraw/zinc/26/84/22/1320268422.db2.gz CGGLVWPQMKMYLZ-LBPRGKRZSA-N 1 1 336.233 3.257 20 10 EGCDMO Oc1cc(Br)ccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000826012962 1320378198 /nfs/dbraw/zinc/37/81/98/1320378198.db2.gz RSXOEUHZAVXLNE-CQSZACIVSA-N 1 1 326.234 3.034 20 10 EGCDMO CCc1nc(N[C@H](C)c2ccc(N3CCOCC3)cc2)cc(C)[nH+]1 ZINC000804378237 1317225507 /nfs/dbraw/zinc/22/55/07/1317225507.db2.gz IGGZYZRNRQMBOS-OAHLLOKOSA-N 1 1 326.444 3.357 20 10 EGCDMO Oc1ccc(Br)cc1CNc1nc(N2CCCC2)cc[nH+]1 ZINC000804827019 1317289660 /nfs/dbraw/zinc/28/96/60/1317289660.db2.gz JJJVSHSMZNMUGE-UHFFFAOYSA-N 1 1 349.232 3.157 20 10 EGCDMO CCN(C(=O)C[NH2+][C@@H](C)c1cc(F)cc(F)c1O)c1ccccc1 ZINC000903196621 1317670742 /nfs/dbraw/zinc/67/07/42/1317670742.db2.gz BVVXZJCDOAGZLT-LBPRGKRZSA-N 1 1 334.366 3.374 20 10 EGCDMO CN(C)c1ccc(CN[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000808426141 1317675734 /nfs/dbraw/zinc/67/57/34/1317675734.db2.gz PPCJWNXSDDNXBT-GOSISDBHSA-N 1 1 333.426 3.423 20 10 EGCDMO C[C@@H]([NH2+]Cc1ncc(C2OCCO2)s1)c1ccc(N(C)C)cc1 ZINC000809643960 1317855732 /nfs/dbraw/zinc/85/57/32/1317855732.db2.gz ZATIAIGECDIHHB-GFCCVEGCSA-N 1 1 333.457 3.105 20 10 EGCDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](C)CCC(N)=O)cc1 ZINC000809713867 1317872936 /nfs/dbraw/zinc/87/29/36/1317872936.db2.gz OBMPXCWMNTWWRE-UHFFFAOYSA-N 1 1 325.456 3.020 20 10 EGCDMO CCCC[N@H+](CCCO)Cc1cc(C)cc(Br)c1O ZINC000809751795 1317890558 /nfs/dbraw/zinc/89/05/58/1317890558.db2.gz JZKSKEDJEDILPX-UHFFFAOYSA-N 1 1 330.266 3.448 20 10 EGCDMO CCCC[N@@H+](CCCO)Cc1cc(C)cc(Br)c1O ZINC000809751795 1317890566 /nfs/dbraw/zinc/89/05/66/1317890566.db2.gz JZKSKEDJEDILPX-UHFFFAOYSA-N 1 1 330.266 3.448 20 10 EGCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000811906076 1318288497 /nfs/dbraw/zinc/28/84/97/1318288497.db2.gz QJTHEJJMFMOXAV-HZPDHXFCSA-N 1 1 334.508 3.233 20 10 EGCDMO OC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4scnc43)cc2)CC1 ZINC000858433007 1328760738 /nfs/dbraw/zinc/76/07/38/1328760738.db2.gz ZONUVNNHBZAMMG-QGZVFWFLSA-N 1 1 343.496 3.271 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812739762 1318446835 /nfs/dbraw/zinc/44/68/35/1318446835.db2.gz CJTLDRLBJHDCBH-WCQYABFASA-N 1 1 332.350 3.127 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1 ZINC000812780556 1318453949 /nfs/dbraw/zinc/45/39/49/1318453949.db2.gz 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ZINC000816557664 1319182402 /nfs/dbraw/zinc/18/24/02/1319182402.db2.gz XMTIZOHTWXPAAV-XHDPSFHLSA-N 1 1 331.840 3.329 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000816557508 1319182688 /nfs/dbraw/zinc/18/26/88/1319182688.db2.gz STOWYROADVEOQR-UHFFFAOYSA-N 1 1 337.704 3.233 20 10 EGCDMO COc1cccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1O ZINC000816642520 1319199672 /nfs/dbraw/zinc/19/96/72/1319199672.db2.gz BVCTXABMRHUZBT-HNNXBMFYSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1cccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1O ZINC000816642520 1319199678 /nfs/dbraw/zinc/19/96/78/1319199678.db2.gz BVCTXABMRHUZBT-HNNXBMFYSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1cccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1O ZINC000816642521 1319200395 /nfs/dbraw/zinc/20/03/95/1319200395.db2.gz BVCTXABMRHUZBT-OAHLLOKOSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1cccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)c1O ZINC000816642521 1319200403 /nfs/dbraw/zinc/20/04/03/1319200403.db2.gz BVCTXABMRHUZBT-OAHLLOKOSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1ccc(N(C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000817274541 1319309046 /nfs/dbraw/zinc/30/90/46/1319309046.db2.gz MZOCOLAEYXIJGB-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939123 1319465893 /nfs/dbraw/zinc/46/58/93/1319465893.db2.gz ZIJNBXRPIDFDLG-VBKZILBWSA-N 1 1 340.471 3.062 20 10 EGCDMO COc1ccc2c(c1)CCC[C@@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938889 1319466965 /nfs/dbraw/zinc/46/69/65/1319466965.db2.gz VASHOIXSYWCZJE-SFTDATJTSA-N 1 1 339.483 3.428 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938084 1319467389 /nfs/dbraw/zinc/46/73/89/1319467389.db2.gz DCEIKTPFCKXGDM-KDOFPFPSSA-N 1 1 342.443 3.320 20 10 EGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccccc1N(C)C ZINC000817939537 1319468232 /nfs/dbraw/zinc/46/82/32/1319468232.db2.gz CKNQBUAOZXMVCM-KXBFYZLASA-N 1 1 326.488 3.169 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940552 1319468326 /nfs/dbraw/zinc/46/83/26/1319468326.db2.gz JUMWDMIEZZTDPU-FOIQADDNSA-N 1 1 327.472 3.420 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940766 1319469215 /nfs/dbraw/zinc/46/92/15/1319469215.db2.gz HSQJJYZOLPSFDT-AUUYWEPGSA-N 1 1 343.519 3.363 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CSCCc3ccccc32)cc1 ZINC000817943581 1319469998 /nfs/dbraw/zinc/46/99/98/1319469998.db2.gz VQOZDBXZZFPWJC-PMACEKPBSA-N 1 1 341.524 3.373 20 10 EGCDMO C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817959413 1319477660 /nfs/dbraw/zinc/47/76/60/1319477660.db2.gz FUQKVFCQQMHAFS-MADCSZMMSA-N 1 1 333.657 3.196 20 10 EGCDMO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817966889 1319479156 /nfs/dbraw/zinc/47/91/56/1319479156.db2.gz XWEDHLRQVNZAKK-IAQYHMDHSA-N 1 1 327.266 3.195 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1cc(Br)ccc1[O-] ZINC000817970809 1319480800 /nfs/dbraw/zinc/48/08/00/1319480800.db2.gz FKSRLJBOTAEEJT-SUHUHFCYSA-N 1 1 327.266 3.336 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1cc(Br)ccc1[O-] ZINC000817984838 1319487115 /nfs/dbraw/zinc/48/71/15/1319487115.db2.gz ASINZMYENNOECW-DGCLKSJQSA-N 1 1 339.277 3.480 20 10 EGCDMO CCOC(=O)[C@H](CC(C)C)[NH2+]C[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000818116541 1319501574 /nfs/dbraw/zinc/50/15/74/1319501574.db2.gz LRULEMPHQCQWDK-LPHOPBHVSA-N 1 1 348.487 3.089 20 10 EGCDMO CC(C)[N@@H+](CC(=O)N1CCC(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000917074842 1319750170 /nfs/dbraw/zinc/75/01/70/1319750170.db2.gz HRSMJSINCAEKIC-UHFFFAOYSA-N 1 1 331.504 3.222 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c1O ZINC000819902136 1319796664 /nfs/dbraw/zinc/79/66/64/1319796664.db2.gz BRZJILBGHXMLBB-IBGZPJMESA-N 1 1 331.456 3.490 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCCC3(F)F)cc2)CC1 ZINC000824544123 1320264245 /nfs/dbraw/zinc/26/42/45/1320264245.db2.gz UJBMQPQNWAQXRS-QGZVFWFLSA-N 1 1 337.458 3.354 20 10 EGCDMO CO[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2O)C[C@@H]1C ZINC000824815042 1320287911 /nfs/dbraw/zinc/28/79/11/1320287911.db2.gz HUSWRDNZMCDTTH-FZMZJTMJSA-N 1 1 328.250 3.320 20 10 EGCDMO CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2O)C[C@@H]1C ZINC000824815042 1320287916 /nfs/dbraw/zinc/28/79/16/1320287916.db2.gz HUSWRDNZMCDTTH-FZMZJTMJSA-N 1 1 328.250 3.320 20 10 EGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291711 /nfs/dbraw/zinc/29/17/11/1320291711.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291717 /nfs/dbraw/zinc/29/17/17/1320291717.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@H]1C ZINC000824855921 1320291720 /nfs/dbraw/zinc/29/17/20/1320291720.db2.gz SAIHTHCMAALNQU-IUODEOHRSA-N 1 1 341.293 3.459 20 10 EGCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000825737291 1320359385 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CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001343284347 1390704603 /nfs/dbraw/zinc/70/46/03/1390704603.db2.gz JPXLKYLXUVZUPY-LJQANCHMSA-N 1 1 345.487 3.340 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000298895065 202401909 /nfs/dbraw/zinc/40/19/09/202401909.db2.gz VKTNIIWBTKZWNE-UHFFFAOYSA-N 1 1 330.428 3.107 20 10 EGCDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000180704900 455231226 /nfs/dbraw/zinc/23/12/26/455231226.db2.gz CNQWAWCDSVIATL-HOTGVXAUSA-N 1 1 333.453 3.087 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057174223 454108884 /nfs/dbraw/zinc/10/88/84/454108884.db2.gz UEZWRTFJWUPGSK-IBGZPJMESA-N 1 1 338.451 3.263 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)cc1F ZINC000131723350 454279565 /nfs/dbraw/zinc/27/95/65/454279565.db2.gz BDRKZFWEOMSOBH-HSZRJFAPSA-N 1 1 334.460 3.261 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)cc1F ZINC000131723350 454279572 /nfs/dbraw/zinc/27/95/72/454279572.db2.gz 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Oc1cc2c(cc1C[N@H+]1CCS[C@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446330 1302907286 /nfs/dbraw/zinc/90/72/86/1302907286.db2.gz MWAMFXLVMUMSLO-HKUYNNGSSA-N 1 1 343.448 3.108 20 10 EGCDMO CC[C@@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445734 1302907541 /nfs/dbraw/zinc/90/75/41/1302907541.db2.gz IVCKTCQNFUZTAH-MJGOQNOKSA-N 1 1 325.408 3.327 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000768446336 1302907728 /nfs/dbraw/zinc/90/77/28/1302907728.db2.gz MWAMFXLVMUMSLO-PKOBYXMFSA-N 1 1 343.448 3.108 20 10 EGCDMO C[C@@H]1C[N@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1O ZINC000768764771 1302973539 /nfs/dbraw/zinc/97/35/39/1302973539.db2.gz BAQCMGSZHHLQFB-RDTXWAMCSA-N 1 1 338.411 3.353 20 10 EGCDMO C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C[C@H]1O ZINC000768764771 1302973547 /nfs/dbraw/zinc/97/35/47/1302973547.db2.gz BAQCMGSZHHLQFB-RDTXWAMCSA-N 1 1 338.411 3.353 20 10 EGCDMO COC(=O)CC[N@H+](Cc1cc(Br)ccc1O)CC(C)C ZINC000768848382 1302995764 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C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123705 /nfs/dbraw/zinc/12/37/05/1303123705.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 1 1 341.839 3.260 20 10 EGCDMO C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123710 /nfs/dbraw/zinc/12/37/10/1303123710.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 1 1 341.839 3.260 20 10 EGCDMO C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769483615 1303123715 /nfs/dbraw/zinc/12/37/15/1303123715.db2.gz QAOFWNQLCRKBLJ-AWEZNQCLSA-N 1 1 341.839 3.260 20 10 EGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769524397 1303134994 /nfs/dbraw/zinc/13/49/94/1303134994.db2.gz DMKATGZGUIRZNC-MRXNPFEDSA-N 1 1 335.444 3.487 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769524397 1303134998 /nfs/dbraw/zinc/13/49/98/1303134998.db2.gz DMKATGZGUIRZNC-MRXNPFEDSA-N 1 1 335.444 3.487 20 10 EGCDMO CCOc1cccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000769528301 1303136154 /nfs/dbraw/zinc/13/61/54/1303136154.db2.gz UPDRGMCVKBSCFT-HNNXBMFYSA-N 1 1 335.444 3.487 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000769528301 1303136160 /nfs/dbraw/zinc/13/61/60/1303136160.db2.gz UPDRGMCVKBSCFT-HNNXBMFYSA-N 1 1 335.444 3.487 20 10 EGCDMO Cc1cc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)o1 ZINC000771819974 1303447170 /nfs/dbraw/zinc/44/71/70/1303447170.db2.gz ZHORWBXJZGXDSH-MRXNPFEDSA-N 1 1 327.472 3.499 20 10 EGCDMO C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1c(O)cccc1F ZINC000886497246 1303477248 /nfs/dbraw/zinc/47/72/48/1303477248.db2.gz YMAUUEWKCAHLLB-MAUKXSAKSA-N 1 1 344.430 3.255 20 10 EGCDMO C[C@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1c(O)cccc1F ZINC000886509894 1303481580 /nfs/dbraw/zinc/48/15/80/1303481580.db2.gz IMBGCSIQNTUCNF-LBPRGKRZSA-N 1 1 330.359 3.339 20 10 EGCDMO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1c(O)cccc1F ZINC000886515368 1303483734 /nfs/dbraw/zinc/48/37/34/1303483734.db2.gz ACDAQPFFASCILD-CQSZACIVSA-N 1 1 330.403 3.231 20 10 EGCDMO COc1cccc(N2CC[C@H]([NH2+][C@@H](C)c3c(O)cccc3F)C2)c1 ZINC000886522394 1303485904 /nfs/dbraw/zinc/48/59/04/1303485904.db2.gz IFKBGMXGVQWZKS-KBPBESRZSA-N 1 1 330.403 3.469 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1c(O)cccc1F ZINC000886607129 1303521027 /nfs/dbraw/zinc/52/10/27/1303521027.db2.gz LKMCFCQZBVBCFL-UKRRQHHQSA-N 1 1 343.402 3.488 20 10 EGCDMO C[C@H](NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000773198714 1303641720 /nfs/dbraw/zinc/64/17/20/1303641720.db2.gz OLZUZEIXODSNFA-ULQDDVLXSA-N 1 1 346.519 3.376 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)c1O ZINC000773694019 1303725603 /nfs/dbraw/zinc/72/56/03/1303725603.db2.gz JHOLVUXXZFSMGG-CABCVRRESA-N 1 1 335.419 3.373 20 10 EGCDMO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775052522 1303896547 /nfs/dbraw/zinc/89/65/47/1303896547.db2.gz UVYQYRDOGYRAEB-LLVKDONJSA-N 1 1 331.372 3.117 20 10 EGCDMO Cn1cnc2cc(C[NH2+]Cc3cccc(Br)c3O)ccc21 ZINC000775154205 1303916825 /nfs/dbraw/zinc/91/68/25/1303916825.db2.gz YHMQXKLLKLMKKA-UHFFFAOYSA-N 1 1 346.228 3.331 20 10 EGCDMO C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(N(C)C)cc1 ZINC000775406177 1303958539 /nfs/dbraw/zinc/95/85/39/1303958539.db2.gz VLUZZOASBHGIAZ-BEFAXECRSA-N 1 1 329.488 3.337 20 10 EGCDMO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644140 1304001860 /nfs/dbraw/zinc/00/18/60/1304001860.db2.gz CPMNFIDVZRYBMK-OAQYLSRUSA-N 1 1 338.499 3.114 20 10 EGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644140 1304001869 /nfs/dbraw/zinc/00/18/69/1304001869.db2.gz CPMNFIDVZRYBMK-OAQYLSRUSA-N 1 1 338.499 3.114 20 10 EGCDMO COc1cc(O)c(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)cc1OC ZINC000775658880 1304006228 /nfs/dbraw/zinc/00/62/28/1304006228.db2.gz RFNVMRWRIJPAQT-UXLLHSPISA-N 1 1 348.487 3.247 20 10 EGCDMO CS[C@@H]1CCCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775741251 1304026935 /nfs/dbraw/zinc/02/69/35/1304026935.db2.gz QSXKKMIMMODGIB-LJQANCHMSA-N 1 1 333.545 3.156 20 10 EGCDMO CS[C@@H]1CCCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000775741251 1304026941 /nfs/dbraw/zinc/02/69/41/1304026941.db2.gz QSXKKMIMMODGIB-LJQANCHMSA-N 1 1 333.545 3.156 20 10 EGCDMO Oc1ccccc1C[N@@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CCCC1 ZINC000775970921 1304072337 /nfs/dbraw/zinc/07/23/37/1304072337.db2.gz DYZIMJWRTJUCIA-KDURUIRLSA-N 1 1 330.472 3.000 20 10 EGCDMO C[C@@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000776103906 1304097237 /nfs/dbraw/zinc/09/72/37/1304097237.db2.gz ZZOHNMYBLAELSG-DLBZAZTESA-N 1 1 346.519 3.377 20 10 EGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+][C@@H](C)CCN(C)C)c1O ZINC000779018440 1304518539 /nfs/dbraw/zinc/51/85/39/1304518539.db2.gz PDBSLHFKQGNLOZ-NWDGAFQWSA-N 1 1 329.282 3.454 20 10 EGCDMO C[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCCN(c2ccccc2)C1=O ZINC000779020350 1304519225 /nfs/dbraw/zinc/51/92/25/1304519225.db2.gz RDTLCDKPBUYTQI-KRWDZBQOSA-N 1 1 328.387 3.159 20 10 EGCDMO Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000779161795 1304537091 /nfs/dbraw/zinc/53/70/91/1304537091.db2.gz JNJCFJZYAWPSKW-LSDHHAIUSA-N 1 1 334.460 3.436 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C34CC5CC(CC(C5)C3)C4)cc2)CC1 ZINC000779432101 1304570962 /nfs/dbraw/zinc/57/09/62/1304570962.db2.gz KKXUSTWXNHWJJS-UHFFFAOYSA-N 1 1 339.527 3.497 20 10 EGCDMO CN(CC[N@@H+](C)Cc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000779596073 1304585109 /nfs/dbraw/zinc/58/51/09/1304585109.db2.gz DQRBZOHZSWFSGM-UHFFFAOYSA-N 1 1 328.840 3.344 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCCN(C(=O)C3CC3)CC2)cc1C(C)C ZINC000780472327 1304697632 /nfs/dbraw/zinc/69/76/32/1304697632.db2.gz CUHYESMOERMZTR-UHFFFAOYSA-N 1 1 330.472 3.268 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCn2c(C)ncc2[N+](=O)[O-])cc1 ZINC000781619967 1304849908 /nfs/dbraw/zinc/84/99/08/1304849908.db2.gz XDRGURDTEQIZQJ-UHFFFAOYSA-N 1 1 345.447 3.078 20 10 EGCDMO COc1ccc(C[N@H+]2CCCN(c3ccccc3)CC2)c(O)c1OC ZINC000891778946 1305162893 /nfs/dbraw/zinc/16/28/93/1305162893.db2.gz VOTCYILGSRXAQY-UHFFFAOYSA-N 1 1 342.439 3.122 20 10 EGCDMO COc1ccc(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)c(O)c1OC ZINC000891786064 1305164900 /nfs/dbraw/zinc/16/49/00/1305164900.db2.gz IZXXHEBGLWANAK-INIZCTEOSA-N 1 1 347.411 3.184 20 10 EGCDMO COc1ccc2c(c1)CCC[N@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC000891932950 1305213574 /nfs/dbraw/zinc/21/35/74/1305213574.db2.gz IPNYUDHBORJEIB-UHFFFAOYSA-N 1 1 343.423 3.366 20 10 EGCDMO COc1ccc(C[N@H+]2CCCC[C@@H]2c2cccn2C)c(O)c1OC ZINC000892194095 1305277680 /nfs/dbraw/zinc/27/76/80/1305277680.db2.gz RZSBMGWAIJZSFD-MRXNPFEDSA-N 1 1 330.428 3.475 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@H]1C ZINC000787239919 1305715926 /nfs/dbraw/zinc/71/59/26/1305715926.db2.gz PJTZAFKVWSLRMF-WFASDCNBSA-N 1 1 335.444 3.082 20 10 EGCDMO Cc1cc(C[N@H+](C)[C@H](C)CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000788377877 1305931649 /nfs/dbraw/zinc/93/16/49/1305931649.db2.gz LIBBXBRRESBPPK-MRXNPFEDSA-N 1 1 334.504 3.151 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccc(Cl)nc1 ZINC000788973144 1306054589 /nfs/dbraw/zinc/05/45/89/1306054589.db2.gz NXIPFCXTBFXSOK-OAHLLOKOSA-N 1 1 344.890 3.338 20 10 EGCDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894019422 1306177684 /nfs/dbraw/zinc/17/76/84/1306177684.db2.gz MLFATTGCKQWEPE-GFCCVEGCSA-N 1 1 340.414 3.045 20 10 EGCDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(F)c2O)C1 ZINC000894019422 1306177688 /nfs/dbraw/zinc/17/76/88/1306177688.db2.gz MLFATTGCKQWEPE-GFCCVEGCSA-N 1 1 340.414 3.045 20 10 EGCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C[C@@H](C)O2 ZINC000790395072 1306315756 /nfs/dbraw/zinc/31/57/56/1306315756.db2.gz BGTZGWPMJBLJAA-CKNLXJGOSA-N 1 1 349.471 3.164 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790460770 1306330716 /nfs/dbraw/zinc/33/07/16/1306330716.db2.gz PQUSRDIGNVSNIL-INIZCTEOSA-N 1 1 330.472 3.195 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000790892007 1308882533 /nfs/dbraw/zinc/88/25/33/1308882533.db2.gz SUZZKFWPJQEPEX-SFHVURJKSA-N 1 1 347.503 3.434 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@]1(O)CCCc2ccccc21 ZINC000790961596 1308897587 /nfs/dbraw/zinc/89/75/87/1308897587.db2.gz XRDSEEDQVHYDBG-SFHVURJKSA-N 1 1 335.806 3.498 20 10 EGCDMO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000792172294 1309136636 /nfs/dbraw/zinc/13/66/36/1309136636.db2.gz FAGIKRIHDSLELN-BDJLRTHQSA-N 1 1 329.799 3.396 20 10 EGCDMO CN(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914731 1309258416 /nfs/dbraw/zinc/25/84/16/1309258416.db2.gz DXSFSKDFXGCAJB-IRXDYDNUSA-N 1 1 341.421 3.488 20 10 EGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@@H]23)c(C(F)(F)F)c1 ZINC000792914731 1309258419 /nfs/dbraw/zinc/25/84/19/1309258419.db2.gz DXSFSKDFXGCAJB-IRXDYDNUSA-N 1 1 341.421 3.488 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCN(C)[C@H](Cc3ccccc3)C2)c1 ZINC000793620656 1309419559 /nfs/dbraw/zinc/41/95/59/1309419559.db2.gz QSVWIUCEGHWRLG-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO CCOc1ccc(O)c(CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000793620656 1309419562 /nfs/dbraw/zinc/41/95/62/1309419562.db2.gz QSVWIUCEGHWRLG-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO CCOc1ccc(O)c(CN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000793620656 1309419566 /nfs/dbraw/zinc/41/95/66/1309419566.db2.gz QSVWIUCEGHWRLG-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO CCn1cc(CC[N@@H+](Cc2ccco2)Cc2ccccc2O)cn1 ZINC000794559462 1309546250 /nfs/dbraw/zinc/54/62/50/1309546250.db2.gz GZMMOWWUTCRQNL-UHFFFAOYSA-N 1 1 325.412 3.447 20 10 EGCDMO COc1cc(C)cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c1O ZINC000795636210 1309795708 /nfs/dbraw/zinc/79/57/08/1309795708.db2.gz NUHVFWDGNFOWHS-UHFFFAOYSA-N 1 1 345.424 3.453 20 10 EGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c1O ZINC000795636210 1309795711 /nfs/dbraw/zinc/79/57/11/1309795711.db2.gz NUHVFWDGNFOWHS-UHFFFAOYSA-N 1 1 345.424 3.453 20 10 EGCDMO COc1cc(C)cc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000795643613 1309797972 /nfs/dbraw/zinc/79/79/72/1309797972.db2.gz FRWJEUGJQHZERH-UHFFFAOYSA-N 1 1 330.384 3.292 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705547 1309814049 /nfs/dbraw/zinc/81/40/49/1309814049.db2.gz YQVYLVZVLJLMIR-WMZOPIPTSA-N 1 1 346.515 3.293 20 10 EGCDMO CC[C@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(F)cc1O ZINC000796703143 1310067137 /nfs/dbraw/zinc/06/71/37/1310067137.db2.gz SECSPRCIDFTUMB-KRWDZBQOSA-N 1 1 330.403 3.310 20 10 EGCDMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000896948402 1310101423 /nfs/dbraw/zinc/10/14/23/1310101423.db2.gz NWQAQWGCVOLWMY-MRXNPFEDSA-N 1 1 340.423 3.252 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000897555239 1310378680 /nfs/dbraw/zinc/37/86/80/1310378680.db2.gz QELZXEBWMFPXOX-KRWDZBQOSA-N 1 1 347.503 3.436 20 10 EGCDMO COc1ccc(C[N@H+](CCCO)Cc2cc(F)cc(F)c2O)cc1 ZINC000898173089 1310614623 /nfs/dbraw/zinc/61/46/23/1310614623.db2.gz IUDUUSNUOOQUHR-UHFFFAOYSA-N 1 1 337.366 3.064 20 10 EGCDMO COc1ccc(C[N@@H+](CCCO)Cc2cc(F)cc(F)c2O)cc1 ZINC000898173089 1310614630 /nfs/dbraw/zinc/61/46/30/1310614630.db2.gz IUDUUSNUOOQUHR-UHFFFAOYSA-N 1 1 337.366 3.064 20 10 EGCDMO CCCC[N@@H+](CC(=O)N(C)CC(F)(F)F)Cc1ccccc1O ZINC000801597006 1310971346 /nfs/dbraw/zinc/97/13/46/1310971346.db2.gz XJTOYNOCLDMDRQ-UHFFFAOYSA-N 1 1 332.366 3.015 20 10 EGCDMO NC(=O)c1cccc(C[N@@H+](Cc2cc(Cl)ccc2O)C2CC2)c1 ZINC000824608811 1320269672 /nfs/dbraw/zinc/26/96/72/1320269672.db2.gz RIISEGXAPZRRLZ-UHFFFAOYSA-N 1 1 330.815 3.309 20 10 EGCDMO CC1(C)C[C@@H](O)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000825090632 1320308612 /nfs/dbraw/zinc/30/86/12/1320308612.db2.gz CQIDRXRQHWMCSM-LBPRGKRZSA-N 1 1 328.250 3.138 20 10 EGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000825090632 1320308616 /nfs/dbraw/zinc/30/86/16/1320308616.db2.gz CQIDRXRQHWMCSM-LBPRGKRZSA-N 1 1 328.250 3.138 20 10 EGCDMO CCCN(C(=O)NCc1ccc(N(CC)CC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000825832287 1320365194 /nfs/dbraw/zinc/36/51/94/1320365194.db2.gz MAWQVKULTGOULR-IBGZPJMESA-N 1 1 346.519 3.159 20 10 EGCDMO 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3.216 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](OC)c2ccc(F)cc2)c1 ZINC001320424279 1386606146 /nfs/dbraw/zinc/60/61/46/1386606146.db2.gz JGJCVJXXFOBEIL-KPZWWZAWSA-N 1 1 347.386 3.356 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)NC3CC3)C2)cc1 ZINC001320494560 1386626654 /nfs/dbraw/zinc/62/66/54/1386626654.db2.gz SPMIYOOCBLQHQU-QGZVFWFLSA-N 1 1 329.488 3.023 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+](C)CCc3cccs3)cc2F)CC1 ZINC001320508749 1386632866 /nfs/dbraw/zinc/63/28/66/1386632866.db2.gz HVDCZXUXUPZPJE-UHFFFAOYSA-N 1 1 347.503 3.314 20 10 EGCDMO CN(C)c1ccc(/C=C/C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC001180130290 1386706078 /nfs/dbraw/zinc/70/60/78/1386706078.db2.gz GOFKKQCONFTGJB-LVMGUKCRSA-N 1 1 341.499 3.289 20 10 EGCDMO COc1c(O)c(C[NH2+]CCCCOc2ccccc2)ccc1[N+](=O)[O-] ZINC001320863511 1386742326 /nfs/dbraw/zinc/74/23/26/1386742326.db2.gz BRHJVJBOLQNYPZ-UHFFFAOYSA-N 1 1 346.383 3.258 20 10 EGCDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001336290621 1389060920 /nfs/dbraw/zinc/06/09/20/1389060920.db2.gz QQUYKUGEMYIIQT-FUHWJXTLSA-N 1 1 344.503 3.065 20 10 EGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001331706671 1389857403 /nfs/dbraw/zinc/85/74/03/1389857403.db2.gz IDCVUPOYRUUJKV-IEBWSBKVSA-N 1 1 334.529 3.364 20 10 EGCDMO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1c(O)cccc1Br ZINC001348085735 1391171111 /nfs/dbraw/zinc/17/11/11/1391171111.db2.gz KDBFJSOMLYZGHX-UONOGXRCSA-N 1 1 327.266 3.117 20 10 EGCDMO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000158020787 455259965 /nfs/dbraw/zinc/25/99/65/455259965.db2.gz LLDQOYZRDQANAG-HNNXBMFYSA-N 1 1 334.803 3.033 20 10 EGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000158020787 455259970 /nfs/dbraw/zinc/25/99/70/455259970.db2.gz LLDQOYZRDQANAG-HNNXBMFYSA-N 1 1 334.803 3.033 20 10 EGCDMO C[N@@H+](Cc1ccc(Br)o1)Cc1cc2c(cc1O)OCO2 ZINC000069688233 454133172 /nfs/dbraw/zinc/13/31/72/454133172.db2.gz IPMYOWSDEUMGCB-UHFFFAOYSA-N 1 1 340.173 3.108 20 10 EGCDMO CC[C@H]([NH2+]C[C@@H](C)CN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000121247536 454410001 /nfs/dbraw/zinc/41/00/01/454410001.db2.gz KTPGEKUCXZTZPE-NQIIRXRSSA-N 1 1 346.563 3.067 20 10 EGCDMO CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000092066522 454511688 /nfs/dbraw/zinc/51/16/88/454511688.db2.gz CECAYSRYVVMZEW-QAPCUYQASA-N 1 1 330.472 3.240 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000092066522 454511693 /nfs/dbraw/zinc/51/16/93/454511693.db2.gz CECAYSRYVVMZEW-QAPCUYQASA-N 1 1 330.472 3.240 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732265 454669589 /nfs/dbraw/zinc/66/95/89/454669589.db2.gz ASNBPRGYVXMXKD-ZFWWWQNUSA-N 1 1 333.350 3.069 20 10 EGCDMO COc1cccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000093638295 454725874 /nfs/dbraw/zinc/72/58/74/454725874.db2.gz DNEUKVLNJUBKNT-HXUWFJFHSA-N 1 1 325.408 3.075 20 10 EGCDMO COc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153528316 454803191 /nfs/dbraw/zinc/80/31/91/454803191.db2.gz YGNCTNVASHPXOC-ZDUSSCGKSA-N 1 1 327.380 3.119 20 10 EGCDMO COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185008955 455486237 /nfs/dbraw/zinc/48/62/37/455486237.db2.gz GTZBIYSHBMBJOW-NSHDSACASA-N 1 1 335.275 3.318 20 10 EGCDMO CN(C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000179561772 455058556 /nfs/dbraw/zinc/05/85/56/455058556.db2.gz VIWJFCCFPPWIGO-OAHLLOKOSA-N 1 1 334.460 3.471 20 10 EGCDMO COCC[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000179560419 455059033 /nfs/dbraw/zinc/05/90/33/455059033.db2.gz HVEGEICHLGAJIT-UHFFFAOYSA-N 1 1 331.412 3.058 20 10 EGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1O ZINC000179656926 455065149 /nfs/dbraw/zinc/06/51/49/455065149.db2.gz YNVHJEBJRIBKTE-QGZVFWFLSA-N 1 1 340.471 3.398 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCO1 ZINC000179882142 455093149 /nfs/dbraw/zinc/09/31/49/455093149.db2.gz PXQAXVJOARUBHB-KRWDZBQOSA-N 1 1 331.387 3.418 20 10 EGCDMO Cc1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1O ZINC000179900034 455095781 /nfs/dbraw/zinc/09/57/81/455095781.db2.gz IETULSJDCSDJNH-UHFFFAOYSA-N 1 1 339.483 3.235 20 10 EGCDMO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1cccc(C)c1O ZINC000183517801 455302632 /nfs/dbraw/zinc/30/26/32/455302632.db2.gz KETXRQXAWOKMJI-UHFFFAOYSA-N 1 1 334.366 3.439 20 10 EGCDMO Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(F)cc2O)N2CCOCC2)o1 ZINC000184909413 455470364 /nfs/dbraw/zinc/47/03/64/455470364.db2.gz PAHXMXXRONCXSL-PBHICJAKSA-N 1 1 348.418 3.157 20 10 EGCDMO C[C@@H]([NH2+][C@H](CO)Cc1c[nH]c2ccccc12)c1ccc(F)cc1O ZINC000185464208 455561294 /nfs/dbraw/zinc/56/12/94/455561294.db2.gz JSLQEXISDVGNFF-DOMZBBRYSA-N 1 1 328.387 3.267 20 10 EGCDMO C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(F)cc1O ZINC000185498528 455568707 /nfs/dbraw/zinc/56/87/07/455568707.db2.gz FHQQVNBPMIAZLI-SECBINFHSA-N 1 1 344.312 3.103 20 10 EGCDMO C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000277629656 455617869 /nfs/dbraw/zinc/61/78/69/455617869.db2.gz CDSFNMRVONKOQK-LBPRGKRZSA-N 1 1 347.286 3.290 20 10 EGCDMO C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCCO1 ZINC000277629656 455617873 /nfs/dbraw/zinc/61/78/73/455617873.db2.gz CDSFNMRVONKOQK-LBPRGKRZSA-N 1 1 347.286 3.290 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412262 455627907 /nfs/dbraw/zinc/62/79/07/455627907.db2.gz XVTNDVSIUWINDX-GFCCVEGCSA-N 1 1 332.835 3.421 20 10 EGCDMO C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Cl)c(Cl)cc1O ZINC000192629211 455657673 /nfs/dbraw/zinc/65/76/73/455657673.db2.gz IAOHUYQIIMJFGG-VIFPVBQESA-N 1 1 343.210 3.373 20 10 EGCDMO Cc1ncsc1/C=C/C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000186172295 455708948 /nfs/dbraw/zinc/70/89/48/455708948.db2.gz OSXJEYIZHHFOQK-FDMDGMSGSA-N 1 1 339.464 3.476 20 10 EGCDMO C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000268850061 455716146 /nfs/dbraw/zinc/71/61/46/455716146.db2.gz FQRHHZVPSYXOMU-QGZVFWFLSA-N 1 1 331.504 3.048 20 10 EGCDMO C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000292767074 455752619 /nfs/dbraw/zinc/75/26/19/455752619.db2.gz JHCQOSRGNVRYDE-RDTXWAMCSA-N 1 1 342.414 3.325 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278478611 455837534 /nfs/dbraw/zinc/83/75/34/455837534.db2.gz ITYZNOKZLRVJDL-NWDGAFQWSA-N 1 1 326.418 3.073 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000278558643 455839946 /nfs/dbraw/zinc/83/99/46/455839946.db2.gz IDWACTHBTZLGFR-FQEVSTJZSA-N 1 1 340.467 3.115 20 10 EGCDMO CCOC1CC([N@@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295145583 455841156 /nfs/dbraw/zinc/84/11/56/455841156.db2.gz ARVBQUXZHFRNKK-UHFFFAOYSA-N 1 1 332.488 3.301 20 10 EGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583038 455853918 /nfs/dbraw/zinc/85/39/18/455853918.db2.gz SFBZFZXNQVCKIQ-FUHWJXTLSA-N 1 1 332.488 3.301 20 10 EGCDMO CC[C@H]([NH2+]Cc1ccc(N2CCOCC2)nc1)c1ccc(F)cc1O ZINC000285549548 455867969 /nfs/dbraw/zinc/86/79/69/455867969.db2.gz GMIRTEZFUNHASJ-KRWDZBQOSA-N 1 1 345.418 3.004 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1O ZINC000279925981 455877731 /nfs/dbraw/zinc/87/77/31/455877731.db2.gz AKBRBWJVNIGBGE-MOPGFXCFSA-N 1 1 333.520 3.013 20 10 EGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)s1 ZINC000280210157 455917750 /nfs/dbraw/zinc/91/77/50/455917750.db2.gz TZZROLANKZWWJC-JTQLQIEISA-N 1 1 343.445 3.237 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCc2ncccc2C)c1 ZINC000296486433 455951999 /nfs/dbraw/zinc/95/19/99/455951999.db2.gz OMFRMJABPZJVDW-AWEZNQCLSA-N 1 1 328.412 3.166 20 10 EGCDMO CC[NH+](CC)Cc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000296728486 456021476 /nfs/dbraw/zinc/02/14/76/456021476.db2.gz NQUXDUKROUWDQU-UHFFFAOYSA-N 1 1 332.375 3.331 20 10 EGCDMO CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(Cl)c1[O-] ZINC000287546114 456072408 /nfs/dbraw/zinc/07/24/08/456072408.db2.gz FISPLIIBTGTZOC-MRXNPFEDSA-N 1 1 326.868 3.197 20 10 EGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143620 456116549 /nfs/dbraw/zinc/11/65/49/456116549.db2.gz ALASXKHLDWQTRO-GDBMZVCRSA-N 1 1 329.400 3.354 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143620 456116557 /nfs/dbraw/zinc/11/65/57/456116557.db2.gz ALASXKHLDWQTRO-GDBMZVCRSA-N 1 1 329.400 3.354 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2cc(OC)c(OC)cc2O)c(OC)c1 ZINC000271113058 456128684 /nfs/dbraw/zinc/12/86/84/456128684.db2.gz VGTWCVNWRNNCHD-UHFFFAOYSA-N 1 1 347.411 3.059 20 10 EGCDMO COc1cc(O)c(C[NH2+]Cc2c(F)cc(F)c(F)c2F)cc1OC ZINC000281083792 456129856 /nfs/dbraw/zinc/12/98/56/456129856.db2.gz JNHYVFBQKGEBDP-UHFFFAOYSA-N 1 1 345.292 3.256 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CCCO)Cc2ccccn2)cc1 ZINC000289565756 456130956 /nfs/dbraw/zinc/13/09/56/456130956.db2.gz ZCIBNTCDDQAPNO-UHFFFAOYSA-N 1 1 327.472 3.312 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@H](O)c2ccccc2)c1 ZINC000273356804 456225720 /nfs/dbraw/zinc/22/57/20/456225720.db2.gz CTDLXDHLLCXFEE-NJSLBKSFSA-N 1 1 343.423 3.342 20 10 EGCDMO Cc1cnn([C@H]2CC[N@@H+](Cc3cc(Br)ccc3O)C2)c1 ZINC000290868958 456453440 /nfs/dbraw/zinc/45/34/40/456453440.db2.gz KCOCSXXKABSHKE-AWEZNQCLSA-N 1 1 336.233 3.107 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](n3cccn3)C2)c(C(F)(F)F)c1 ZINC000291353372 456615777 /nfs/dbraw/zinc/61/57/77/456615777.db2.gz XMWZLWHAJIKXGP-HNNXBMFYSA-N 1 1 338.377 3.415 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000349381716 456958783 /nfs/dbraw/zinc/95/87/83/456958783.db2.gz QRZTWHYJXPCKAN-HNNXBMFYSA-N 1 1 342.487 3.160 20 10 EGCDMO Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367721967 457976111 /nfs/dbraw/zinc/97/61/11/457976111.db2.gz ASQJMHPQGMBNKU-LJQANCHMSA-N 1 1 340.471 3.200 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CC[C@@H](O)c3ccccc3)CC2)cc1 ZINC000375689428 458020340 /nfs/dbraw/zinc/02/03/40/458020340.db2.gz QNMHLDKAXPRZMX-OAQYLSRUSA-N 1 1 340.467 3.331 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 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c1cc(N2CCOCC2)ccc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000850382664 1322235758 /nfs/dbraw/zinc/23/57/58/1322235758.db2.gz UFYVYBYJQHBUJD-LJQANCHMSA-N 1 1 343.515 3.020 20 10 EGCDMO c1cc(N2CCOCC2)ccc1C[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000850382664 1322235765 /nfs/dbraw/zinc/23/57/65/1322235765.db2.gz UFYVYBYJQHBUJD-LJQANCHMSA-N 1 1 343.515 3.020 20 10 EGCDMO C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000850516395 1322259725 /nfs/dbraw/zinc/25/97/25/1322259725.db2.gz FGUAXCXUYSHSSV-OAHLLOKOSA-N 1 1 343.446 3.489 20 10 EGCDMO CC(C)(C)n1nnc(CC[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000851768529 1323085421 /nfs/dbraw/zinc/08/54/21/1323085421.db2.gz BDBCHQVZUZREFA-UHFFFAOYSA-N 1 1 343.475 3.121 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)cc1)c1cc(CO)on1 ZINC000925011549 1323245429 /nfs/dbraw/zinc/24/54/29/1323245429.db2.gz MHJSZKWISGVDDK-OAHLLOKOSA-N 1 1 329.444 3.254 20 10 EGCDMO CC(C)c1ccc2c(c1)C[N@H+](Cc1cc3c(cc1O)OC[C@H]3O)CC2 ZINC000853533596 1325116605 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EGCDMO CC[N@H+](CCN1CCCC1)Cc1cc(Br)cc(C)c1O ZINC001233110285 1376571329 /nfs/dbraw/zinc/57/13/29/1376571329.db2.gz JTKHCDKZAIVDSZ-UHFFFAOYSA-N 1 1 341.293 3.381 20 10 EGCDMO CC[N@@H+](CCN1CCCC1)Cc1cc(Br)cc(C)c1O ZINC001233110285 1376571335 /nfs/dbraw/zinc/57/13/35/1376571335.db2.gz JTKHCDKZAIVDSZ-UHFFFAOYSA-N 1 1 341.293 3.381 20 10 EGCDMO CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001089068343 1360158489 /nfs/dbraw/zinc/15/84/89/1360158489.db2.gz ZFJHSXDIMDGLET-CJNGLKHVSA-N 1 1 343.431 3.008 20 10 EGCDMO Cc1cc(N2CC=C(CCNC(=O)CC3CCCC3)CC2)nc(C)[nH+]1 ZINC001089799898 1360668601 /nfs/dbraw/zinc/66/86/01/1360668601.db2.gz PBXBPHZQSFXOJG-UHFFFAOYSA-N 1 1 342.487 3.317 20 10 EGCDMO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001201470796 1369551896 /nfs/dbraw/zinc/55/18/96/1369551896.db2.gz MELZRVPDTFFDFV-HXUWFJFHSA-N 1 1 332.488 3.270 20 10 EGCDMO COc1ccc(N2CC[NH+](CCCC(F)(F)F)CC2)c(OC)c1 ZINC001202441337 1369772699 /nfs/dbraw/zinc/77/26/99/1369772699.db2.gz BRXYIZSDOQRMJR-UHFFFAOYSA-N 1 1 332.366 3.168 20 10 EGCDMO CC(C)(C)OC(=O)N1CC([C@@H]2CC[N@@H+](Cc3ccccc3O)C2)C1 ZINC001203551692 1370166556 /nfs/dbraw/zinc/16/65/56/1370166556.db2.gz KMAHCRRFMZQDCJ-CQSZACIVSA-N 1 1 332.444 3.081 20 10 EGCDMO O=C1C[C@]2(CC[N@H+](Cc3ccccc3O)C2)CN1c1ccsc1 ZINC001203552575 1370167813 /nfs/dbraw/zinc/16/78/13/1370167813.db2.gz OLPMTZMXOGPIAB-SFHVURJKSA-N 1 1 328.437 3.083 20 10 EGCDMO Oc1ccccc1C[NH+]1CCN(c2c(Cl)cncc2Cl)CC1 ZINC001203555670 1370168314 /nfs/dbraw/zinc/16/83/14/1370168314.db2.gz BQLNDFDIPYQPBL-UHFFFAOYSA-N 1 1 338.238 3.416 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@H]2C1 ZINC001203555720 1370168415 /nfs/dbraw/zinc/16/84/15/1370168415.db2.gz DPSKSSSZBRLIDM-ZBFHGGJFSA-N 1 1 332.444 3.081 20 10 EGCDMO CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2O)CCC1(F)F ZINC001203560540 1370169757 /nfs/dbraw/zinc/16/97/57/1370169757.db2.gz BVSACSYSWAAHKF-CQSZACIVSA-N 1 1 342.386 3.127 20 10 EGCDMO COc1cccc(C[N@H+]2CCO[C@](C)(c3ccc(C)cc3)C2)c1O ZINC001203596491 1370182627 /nfs/dbraw/zinc/18/26/27/1370182627.db2.gz DKUUTLLKGPEDSV-FQEVSTJZSA-N 1 1 327.424 3.457 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)c1O ZINC001203614309 1370188244 /nfs/dbraw/zinc/18/82/44/1370188244.db2.gz VYRHGZBCJLMXEW-IBGZPJMESA-N 1 1 338.451 3.206 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ncccc3C)C2)c1O ZINC001203617142 1370189421 /nfs/dbraw/zinc/18/94/21/1370189421.db2.gz JJECKGFXMVJNGD-INIZCTEOSA-N 1 1 328.412 3.148 20 10 EGCDMO C[N@@H+](C1CCOCC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203663619 1370207130 /nfs/dbraw/zinc/20/71/30/1370207130.db2.gz BUQXREADRMVMKC-UHFFFAOYSA-N 1 1 338.879 3.121 20 10 EGCDMO CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203664378 1370207382 /nfs/dbraw/zinc/20/73/82/1370207382.db2.gz CCNMAMODMHBBRV-UHFFFAOYSA-N 1 1 340.851 3.392 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ncccc3C)C2)c1 ZINC001203681291 1370216165 /nfs/dbraw/zinc/21/61/65/1370216165.db2.gz UCAILRFJPPZENZ-KRWDZBQOSA-N 1 1 328.412 3.148 20 10 EGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1OC ZINC001203879107 1370297375 /nfs/dbraw/zinc/29/73/75/1370297375.db2.gz LSYYFKJAVSYXFF-HNNXBMFYSA-N 1 1 329.396 3.452 20 10 EGCDMO C[N@@H+](Cc1ccccc1F)C1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203881367 1370298600 /nfs/dbraw/zinc/29/86/00/1370298600.db2.gz PKGZRTKYAZFXDG-UHFFFAOYSA-N 1 1 344.430 3.333 20 10 EGCDMO COc1ccc(CC[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC001203929938 1370318423 /nfs/dbraw/zinc/31/84/23/1370318423.db2.gz JPTZIVGSUQSYEB-UHFFFAOYSA-N 1 1 328.456 3.444 20 10 EGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931031 1370319149 /nfs/dbraw/zinc/31/91/49/1370319149.db2.gz LQEIEXUPPZVTHG-QZTJIDSGSA-N 1 1 345.487 3.336 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]3[C@H]2CN3C(=O)OC(C)(C)C)cc1 ZINC001203931031 1370319154 /nfs/dbraw/zinc/31/91/54/1370319154.db2.gz LQEIEXUPPZVTHG-QZTJIDSGSA-N 1 1 345.487 3.336 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)cc1 ZINC001203930733 1370319329 /nfs/dbraw/zinc/31/93/29/1370319329.db2.gz GQPDPTKQLNYOGL-SJLPKXTDSA-N 1 1 345.487 3.194 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCc3ccc(=O)[nH]c3CC2)cc1 ZINC001203943393 1370324289 /nfs/dbraw/zinc/32/42/89/1370324289.db2.gz YYVAIIWAMCEHFS-UHFFFAOYSA-N 1 1 325.456 3.234 20 10 EGCDMO FC(F)(F)Oc1ccc(N2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC001204081695 1370369917 /nfs/dbraw/zinc/36/99/17/1370369917.db2.gz HWTVBGXTWCGMAS-UHFFFAOYSA-N 1 1 337.345 3.302 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC(=O)NC3(CCCC3)C2)c2ccccc21 ZINC001204241145 1370419088 /nfs/dbraw/zinc/41/90/88/1370419088.db2.gz WVPKGPMKJQJPMF-UHFFFAOYSA-N 1 1 337.467 3.150 20 10 EGCDMO C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2ccc(O)cc2O)CCO1 ZINC001204281154 1370430948 /nfs/dbraw/zinc/43/09/48/1370430948.db2.gz ROSXYXIHMPZQEP-SFHVURJKSA-N 1 1 333.815 3.499 20 10 EGCDMO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)cc(O)c1O ZINC001204348772 1370449761 /nfs/dbraw/zinc/44/97/61/1370449761.db2.gz OXJLUMDNLBARRD-RYRKJORJSA-N 1 1 347.455 3.134 20 10 EGCDMO [O-]c1c(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cccc1C(F)(F)F ZINC001204741929 1370561780 /nfs/dbraw/zinc/56/17/80/1370561780.db2.gz FVRGASXZHYKUNE-UHFFFAOYSA-N 1 1 328.378 3.377 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205580362 1370798384 /nfs/dbraw/zinc/79/83/84/1370798384.db2.gz SPOIOILFVBUZCX-LJQANCHMSA-N 1 1 332.419 3.207 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@](F)(C[NH3+])CC3)c2c1 ZINC001205580362 1370798387 /nfs/dbraw/zinc/79/83/87/1370798387.db2.gz SPOIOILFVBUZCX-LJQANCHMSA-N 1 1 332.419 3.207 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@H]1C[NH3+] ZINC001205638301 1370822771 /nfs/dbraw/zinc/82/27/71/1370822771.db2.gz MBMVVIJJOUQTRQ-MNOVXSKESA-N 1 1 345.256 3.101 20 10 EGCDMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n1C ZINC001116294638 1370880107 /nfs/dbraw/zinc/88/01/07/1370880107.db2.gz NVWNGVOIKYGPQU-ZDUSSCGKSA-N 1 1 331.439 3.104 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024089 1370941399 /nfs/dbraw/zinc/94/13/99/1370941399.db2.gz HPTIKJNDIDJNLH-QWHCGFSZSA-N 1 1 341.293 3.270 20 10 EGCDMO N[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1F ZINC001206197902 1370990712 /nfs/dbraw/zinc/99/07/12/1370990712.db2.gz KGGCLNQDTXBBJC-ROUUACIJSA-N 1 1 332.394 3.460 20 10 EGCDMO N[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@@H]1F ZINC001206197902 1370990716 /nfs/dbraw/zinc/99/07/16/1370990716.db2.gz KGGCLNQDTXBBJC-ROUUACIJSA-N 1 1 332.394 3.460 20 10 EGCDMO N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206230050 1370999427 /nfs/dbraw/zinc/99/94/27/1370999427.db2.gz XSMFGGDCNJFSJL-INIZCTEOSA-N 1 1 327.394 3.142 20 10 EGCDMO COc1ccc(N2CCOC[C@@]3(CCC[N@@H+](CCC4CC4)C3)C2)cc1 ZINC001208681219 1371859899 /nfs/dbraw/zinc/85/98/99/1371859899.db2.gz QKFQKIFMJDLKRI-OAQYLSRUSA-N 1 1 344.499 3.414 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CCOCCOCc2ccccc2)cc1 ZINC001208750431 1371883379 /nfs/dbraw/zinc/88/33/79/1371883379.db2.gz MDNTVDOSMFZRQF-UHFFFAOYSA-N 1 1 342.483 3.418 20 10 EGCDMO [NH3+][C@H](Cc1cccc(O)c1)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217712182 1373492839 /nfs/dbraw/zinc/49/28/39/1373492839.db2.gz LOAQTKRSVGESIG-GOSISDBHSA-N 1 1 346.390 3.475 20 10 EGCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c(C)cc(C)cc1O)C2 ZINC001231845143 1376326121 /nfs/dbraw/zinc/32/61/21/1376326121.db2.gz WJPYXXKRAFNLNE-YLJYHZDGSA-N 1 1 333.472 3.417 20 10 EGCDMO COc1ncnc2c1CC[N@@H+](Cc1cc(C(C)(C)C)ccc1O)CC2 ZINC001233285480 1376604698 /nfs/dbraw/zinc/60/46/98/1376604698.db2.gz HNWCYLYPFGQPMF-UHFFFAOYSA-N 1 1 341.455 3.089 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Oc3ccncc3)C2)c1O ZINC001233291097 1376605548 /nfs/dbraw/zinc/60/55/48/1376605548.db2.gz LXAXZXQMFDUAAT-MRXNPFEDSA-N 1 1 348.830 3.493 20 10 EGCDMO CCOC(=O)C[C@H]1CC[N@H+](Cc2c(O)ccc(F)c2F)C[C@H]1C ZINC001233336342 1376620864 /nfs/dbraw/zinc/62/08/64/1376620864.db2.gz INTTXOHAKWALAD-VXGBXAGGSA-N 1 1 327.371 3.082 20 10 EGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2c(O)ccc(F)c2F)C[C@H]1C ZINC001233336342 1376620867 /nfs/dbraw/zinc/62/08/67/1376620867.db2.gz INTTXOHAKWALAD-VXGBXAGGSA-N 1 1 327.371 3.082 20 10 EGCDMO OCC[N@@H+](Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1O ZINC001233451319 1376649450 /nfs/dbraw/zinc/64/94/50/1376649450.db2.gz GPPHKMVRTKZZRS-UHFFFAOYSA-N 1 1 325.330 3.406 20 10 EGCDMO CCCC[C@H]1C[N@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCN1 ZINC001236139907 1376935991 /nfs/dbraw/zinc/93/59/91/1376935991.db2.gz QDXLMKOLNLVRMM-SFHVURJKSA-N 1 1 343.515 3.055 20 10 EGCDMO CCCC[C@H]1C[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CCN1 ZINC001236139907 1376935995 /nfs/dbraw/zinc/93/59/95/1376935995.db2.gz QDXLMKOLNLVRMM-SFHVURJKSA-N 1 1 343.515 3.055 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052623 1376971035 /nfs/dbraw/zinc/97/10/35/1376971035.db2.gz XGGTUMQPTUVISC-GOSISDBHSA-N 1 1 343.471 3.385 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676880 1376982537 /nfs/dbraw/zinc/98/25/37/1376982537.db2.gz RXWKSRAHQKYHGU-QGZVFWFLSA-N 1 1 343.423 3.201 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1Br ZINC001237676471 1376982791 /nfs/dbraw/zinc/98/27/91/1376982791.db2.gz IMOKBLHDPUNFLZ-NHYWBVRUSA-N 1 1 328.250 3.056 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@H](Oc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676526 1376983620 /nfs/dbraw/zinc/98/36/20/1376983620.db2.gz PJVJVWNSRODALF-INIZCTEOSA-N 1 1 329.396 3.063 20 10 EGCDMO C[N@@H+](Cc1c[nH]c2ncccc12)Cc1ccc(N2CCOCC2)cc1 ZINC001137402561 1377540819 /nfs/dbraw/zinc/54/08/19/1377540819.db2.gz ZDASRRJDDUBZCB-UHFFFAOYSA-N 1 1 336.439 3.032 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(O)cccc1F ZINC001137831954 1377623830 /nfs/dbraw/zinc/62/38/30/1377623830.db2.gz ULOJRMFGCUOSHT-ZDUSSCGKSA-N 1 1 338.423 3.411 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1F ZINC001137831954 1377623831 /nfs/dbraw/zinc/62/38/31/1377623831.db2.gz ULOJRMFGCUOSHT-ZDUSSCGKSA-N 1 1 338.423 3.411 20 10 EGCDMO CC[N@H+](Cc1c(O)cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839014 1377626808 /nfs/dbraw/zinc/62/68/08/1377626808.db2.gz NZMJCFQHEJHFGT-ZDUSSCGKSA-N 1 1 338.423 3.363 20 10 EGCDMO CC[N@@H+](Cc1c(O)cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839014 1377626809 /nfs/dbraw/zinc/62/68/09/1377626809.db2.gz NZMJCFQHEJHFGT-ZDUSSCGKSA-N 1 1 338.423 3.363 20 10 EGCDMO CC[N@H+](Cc1c(O)cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839013 1377627055 /nfs/dbraw/zinc/62/70/55/1377627055.db2.gz NZMJCFQHEJHFGT-CYBMUJFWSA-N 1 1 338.423 3.363 20 10 EGCDMO CC[N@@H+](Cc1c(O)cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839013 1377627057 /nfs/dbraw/zinc/62/70/57/1377627057.db2.gz NZMJCFQHEJHFGT-CYBMUJFWSA-N 1 1 338.423 3.363 20 10 EGCDMO O=C(NC1CC[NH+](Cc2c(O)cccc2F)CC1)C1CCCCC1 ZINC001137841816 1377628046 /nfs/dbraw/zinc/62/80/46/1377628046.db2.gz WIWJGVRDUPDEHA-UHFFFAOYSA-N 1 1 334.435 3.192 20 10 EGCDMO Cc1ccc2nc(C3CC[NH+](Cc4cccc(F)c4O)CC3)nn2c1 ZINC001138126436 1377680947 /nfs/dbraw/zinc/68/09/47/1377680947.db2.gz AYMBHYQDDKOXST-UHFFFAOYSA-N 1 1 340.402 3.262 20 10 EGCDMO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@@H+]1Cc1cccc(F)c1O ZINC001138128549 1377681353 /nfs/dbraw/zinc/68/13/53/1377681353.db2.gz QRYKTFUHUSPZSJ-TZMCWYRMSA-N 1 1 338.423 3.409 20 10 EGCDMO C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(F)c1O ZINC001138128549 1377681356 /nfs/dbraw/zinc/68/13/56/1377681356.db2.gz QRYKTFUHUSPZSJ-TZMCWYRMSA-N 1 1 338.423 3.409 20 10 EGCDMO CC1(C)[N@H+](Cc2cccc(F)c2O)CC[C@]12C(=O)Oc1ccccc12 ZINC001138131140 1377683425 /nfs/dbraw/zinc/68/34/25/1377683425.db2.gz RSHFEGDXJGWVNU-FQEVSTJZSA-N 1 1 341.382 3.373 20 10 EGCDMO CC1(C)[N@@H+](Cc2cccc(F)c2O)CC[C@]12C(=O)Oc1ccccc12 ZINC001138131140 1377683426 /nfs/dbraw/zinc/68/34/26/1377683426.db2.gz RSHFEGDXJGWVNU-FQEVSTJZSA-N 1 1 341.382 3.373 20 10 EGCDMO FC1(F)C[C@H]2C[N@@H+](Cc3ccc(N4CCCCC4)cc3)CCN2C1 ZINC001138220393 1377690801 /nfs/dbraw/zinc/69/08/01/1377690801.db2.gz ASANYYRLQUKRRL-SFHVURJKSA-N 1 1 335.442 3.202 20 10 EGCDMO Cc1c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c2ccccc2n1C ZINC001138256895 1377694907 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OC[C@@]1(F)CCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000289736802 456139441 /nfs/dbraw/zinc/13/94/41/456139441.db2.gz IFUFWRRTBINMEX-HXUWFJFHSA-N 1 1 345.414 3.268 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2)c1 ZINC000273420935 456228680 /nfs/dbraw/zinc/22/86/80/456228680.db2.gz SAMLMWLTZCAIHE-CYBMUJFWSA-N 1 1 328.412 3.096 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC(C)C)nc2)c1 ZINC000273426652 456230454 /nfs/dbraw/zinc/23/04/54/456230454.db2.gz UJEGGMHKZNGVBR-ZDUSSCGKSA-N 1 1 344.411 3.212 20 10 EGCDMO OC[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000290073701 456233222 /nfs/dbraw/zinc/23/32/22/456233222.db2.gz FXYODKYIDOOMFY-LJQANCHMSA-N 1 1 333.378 3.098 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nc(C3CC3)cs2)c1 ZINC000273473513 456233463 /nfs/dbraw/zinc/23/34/63/456233463.db2.gz KEHZAFKNYZIVEY-JTQLQIEISA-N 1 1 332.425 3.364 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@](C)(O)c2ccccc2)c1 ZINC000275143886 456270863 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O=C(CC1CCCC1)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000378500619 457404335 /nfs/dbraw/zinc/40/43/35/457404335.db2.gz UIRGGJXACSVVNO-UHFFFAOYSA-N 1 1 334.435 3.146 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861412 457455695 /nfs/dbraw/zinc/45/56/95/457455695.db2.gz WPEUQTMRYXWLNT-IACUBPJLSA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861412 457455699 /nfs/dbraw/zinc/45/56/99/457455699.db2.gz WPEUQTMRYXWLNT-IACUBPJLSA-N 1 1 339.277 3.432 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000365250599 457732473 /nfs/dbraw/zinc/73/24/73/457732473.db2.gz ADMUWYRZALRADD-GFCCVEGCSA-N 1 1 343.826 3.202 20 10 EGCDMO CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000367538556 457961121 /nfs/dbraw/zinc/96/11/21/457961121.db2.gz QFTYUMSKOXCUFZ-ROUUACIJSA-N 1 1 342.414 3.373 20 10 EGCDMO C[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000743716290 576815185 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EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000687952183 1298121739 /nfs/dbraw/zinc/12/17/39/1298121739.db2.gz FNBOOAZWUHLSJL-NSHDSACASA-N 1 1 328.250 3.462 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCOC(C)(C)[C@@H]2C)c1O ZINC000687952183 1298121748 /nfs/dbraw/zinc/12/17/48/1298121748.db2.gz FNBOOAZWUHLSJL-NSHDSACASA-N 1 1 328.250 3.462 20 10 EGCDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)CC1CCC1 ZINC000769927730 1303194248 /nfs/dbraw/zinc/19/42/48/1303194248.db2.gz NPHKNUVJZLBRMM-UHFFFAOYSA-N 1 1 331.504 3.222 20 10 EGCDMO O=[N+]([O-])c1cc(C[N@H+](CCCCO)C2CC2)ccc1N1CCCCC1 ZINC000769403311 1303107985 /nfs/dbraw/zinc/10/79/85/1303107985.db2.gz BVSIOOUNLZRPBI-UHFFFAOYSA-N 1 1 347.459 3.322 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c1O ZINC000769404197 1303108320 /nfs/dbraw/zinc/10/83/20/1303108320.db2.gz OYSBISURCISAEX-QGZVFWFLSA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1cccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000769404197 1303108324 /nfs/dbraw/zinc/10/83/24/1303108324.db2.gz OYSBISURCISAEX-QGZVFWFLSA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1cccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000769404197 1303108332 /nfs/dbraw/zinc/10/83/32/1303108332.db2.gz OYSBISURCISAEX-QGZVFWFLSA-N 1 1 340.467 3.497 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000066699547 1292127168 /nfs/dbraw/zinc/12/71/68/1292127168.db2.gz FQMPEMUUFFBGEJ-IRXDYDNUSA-N 1 1 347.503 3.434 20 10 EGCDMO Cc1cc(C(=O)CN2CC[NH+](C(C)C)CC2)c(C)n1-c1ccccc1 ZINC000075635161 1292403556 /nfs/dbraw/zinc/40/35/56/1292403556.db2.gz QMFCYAPAQBHGLV-UHFFFAOYSA-N 1 1 339.483 3.303 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)COc1ccccc1F ZINC000076074497 1292418180 /nfs/dbraw/zinc/41/81/80/1292418180.db2.gz BPJGWRVNJFIYKU-MRXNPFEDSA-N 1 1 333.403 3.183 20 10 EGCDMO C[C@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1COCCO1 ZINC000828563959 1292474543 /nfs/dbraw/zinc/47/45/43/1292474543.db2.gz KGBCTUOADSAIGC-APWZRJJASA-N 1 1 327.424 3.371 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cc(Br)cn2C)cc1 ZINC000091961255 1292850058 /nfs/dbraw/zinc/85/00/58/1292850058.db2.gz FIZHUEVDGRTNCC-UHFFFAOYSA-N 1 1 336.277 3.486 20 10 EGCDMO CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1cccc(OC)c1O ZINC000093083986 1292908078 /nfs/dbraw/zinc/90/80/78/1292908078.db2.gz WFUHZJIFVHZVQZ-UHFFFAOYSA-N 1 1 342.439 3.125 20 10 EGCDMO CC(C)CCO[C@@H]1CC[N@@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000093476136 1292924670 /nfs/dbraw/zinc/92/46/70/1292924670.db2.gz QNRQCLYIEZUWGL-HXUWFJFHSA-N 1 1 332.488 3.160 20 10 EGCDMO C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc(Br)c1[O-] ZINC000093660073 1292928915 /nfs/dbraw/zinc/92/89/15/1292928915.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 1 1 341.293 3.461 20 10 EGCDMO C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1[O-] ZINC000093660073 1292928917 /nfs/dbraw/zinc/92/89/17/1292928917.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 1 1 341.293 3.461 20 10 EGCDMO C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1[O-] ZINC000093660073 1292928926 /nfs/dbraw/zinc/92/89/26/1292928926.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 1 1 341.293 3.461 20 10 EGCDMO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2nccn21 ZINC000834519220 1293109097 /nfs/dbraw/zinc/10/90/97/1293109097.db2.gz QYHJPKYEMVCUHF-PBHICJAKSA-N 1 1 328.485 3.232 20 10 EGCDMO CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000834880447 1293162656 /nfs/dbraw/zinc/16/26/56/1293162656.db2.gz ALXOGUXBRQYEFL-JTNHKYCSSA-N 1 1 333.350 3.113 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@](C)(OC)c2ccccc2)c1 ZINC000834883427 1293163419 /nfs/dbraw/zinc/16/34/19/1293163419.db2.gz DTRKGBJRJBLTCY-VBKZILBWSA-N 1 1 343.423 3.391 20 10 EGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)NCCc1ccccc1 ZINC000834914512 1293176031 /nfs/dbraw/zinc/17/60/31/1293176031.db2.gz NHPSJQNRSIVRFU-CHWSQXEVSA-N 1 1 348.393 3.068 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCc3c(cccc3C(=O)OC)C2)c1O ZINC000835068370 1293198744 /nfs/dbraw/zinc/19/87/44/1293198744.db2.gz GPWXSJDHKRRVRS-UHFFFAOYSA-N 1 1 341.407 3.136 20 10 EGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CN2CCN(CC)CC2)cc1 ZINC000121157258 1293357456 /nfs/dbraw/zinc/35/74/56/1293357456.db2.gz LYMVKAVDFKSHRO-MOPGFXCFSA-N 1 1 346.563 3.067 20 10 EGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124220466 1293470684 /nfs/dbraw/zinc/47/06/84/1293470684.db2.gz OJZJDGWCNKCKCY-MRXNPFEDSA-N 1 1 335.467 3.020 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000125163959 1293497593 /nfs/dbraw/zinc/49/75/93/1293497593.db2.gz UGJBMHUAIXMXEN-SNVBAGLBSA-N 1 1 334.304 3.093 20 10 EGCDMO CCCCC[N@@H+](CCO)Cc1cc(Br)cc(OC)c1O ZINC000126869274 1293546197 /nfs/dbraw/zinc/54/61/97/1293546197.db2.gz AMRFBVFEWOEGFN-UHFFFAOYSA-N 1 1 346.265 3.148 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)c2c1 ZINC000131066316 1293678242 /nfs/dbraw/zinc/67/82/42/1293678242.db2.gz GRPPYQMIYFILPU-PKOBYXMFSA-N 1 1 345.464 3.260 20 10 EGCDMO Cc1cc(C[N@H+]2CCOC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000131223423 1293684226 /nfs/dbraw/zinc/68/42/26/1293684226.db2.gz QVLGOAMEYLTIIY-UHFFFAOYSA-N 1 1 333.472 3.380 20 10 EGCDMO COc1cc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c(O)cc1C ZINC000159855943 1294248281 /nfs/dbraw/zinc/24/82/81/1294248281.db2.gz DNTODQHMCPEBJN-GOSISDBHSA-N 1 1 326.440 3.198 20 10 EGCDMO COc1cc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c(O)cc1C ZINC000159855943 1294248290 /nfs/dbraw/zinc/24/82/90/1294248290.db2.gz DNTODQHMCPEBJN-GOSISDBHSA-N 1 1 326.440 3.198 20 10 EGCDMO COc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(O)cc1C ZINC000159855943 1294248295 /nfs/dbraw/zinc/24/82/95/1294248295.db2.gz DNTODQHMCPEBJN-GOSISDBHSA-N 1 1 326.440 3.198 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000159860128 1294248530 /nfs/dbraw/zinc/24/85/30/1294248530.db2.gz ZJACOXSTKGXYDU-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178205318 1294721517 /nfs/dbraw/zinc/72/15/17/1294721517.db2.gz AEMYDCQGEZPKBO-HUUCEWRRSA-N 1 1 346.471 3.233 20 10 EGCDMO Oc1c(Br)cccc1CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000179645410 1294811462 /nfs/dbraw/zinc/81/14/62/1294811462.db2.gz BCUACMGMOVZWJN-AWEZNQCLSA-N 1 1 339.277 3.215 20 10 EGCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC000181412105 1294968127 /nfs/dbraw/zinc/96/81/27/1294968127.db2.gz QKCVAMVLUWJFKW-UHFFFAOYSA-N 1 1 337.467 3.019 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C3CC3)n2C2CC2)c1 ZINC000181719011 1294988570 /nfs/dbraw/zinc/98/85/70/1294988570.db2.gz SDFIHSKKBDHALQ-LLVKDONJSA-N 1 1 328.416 3.055 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000184246985 1295181169 /nfs/dbraw/zinc/18/11/69/1295181169.db2.gz UMVYYWKTCXCXLT-IBGZPJMESA-N 1 1 327.424 3.234 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1nnnn1C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000189129655 1295502031 /nfs/dbraw/zinc/50/20/31/1295502031.db2.gz MYGSOILDHUMHFW-CABCVRRESA-N 1 1 340.475 3.410 20 10 EGCDMO CCc1ccc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)cc1 ZINC000189815682 1295545344 /nfs/dbraw/zinc/54/53/44/1295545344.db2.gz GVIBAKWRMBPQRF-HXUWFJFHSA-N 1 1 341.407 3.257 20 10 EGCDMO CCc1ccc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)cc1 ZINC000189815682 1295545352 /nfs/dbraw/zinc/54/53/52/1295545352.db2.gz GVIBAKWRMBPQRF-HXUWFJFHSA-N 1 1 341.407 3.257 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000246257554 1296344612 /nfs/dbraw/zinc/34/46/12/1296344612.db2.gz NCDVPVVGWMKQED-IAGOWNOFSA-N 1 1 347.503 3.434 20 10 EGCDMO C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000247250844 1296387280 /nfs/dbraw/zinc/38/72/80/1296387280.db2.gz ZRVYIBWHNMCVRX-YOEHRIQHSA-N 1 1 332.488 3.311 20 10 EGCDMO C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000247250844 1296387294 /nfs/dbraw/zinc/38/72/94/1296387294.db2.gz ZRVYIBWHNMCVRX-YOEHRIQHSA-N 1 1 332.488 3.311 20 10 EGCDMO C[N@@H+]1CCC[C@H]2CN(Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000247250844 1296387321 /nfs/dbraw/zinc/38/73/21/1296387321.db2.gz ZRVYIBWHNMCVRX-YOEHRIQHSA-N 1 1 332.488 3.311 20 10 EGCDMO C[N@H+]1CCC[C@H]2CN(Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@@H]21 ZINC000247250844 1296387330 /nfs/dbraw/zinc/38/73/30/1296387330.db2.gz ZRVYIBWHNMCVRX-YOEHRIQHSA-N 1 1 332.488 3.311 20 10 EGCDMO Cc1nonc1C[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000872135886 1296761272 /nfs/dbraw/zinc/76/12/72/1296761272.db2.gz IVYRMYGOFVQEAS-MRVPVSSYSA-N 1 1 326.194 3.005 20 10 EGCDMO CC[NH+]1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 ZINC000303161417 1296822212 /nfs/dbraw/zinc/82/22/12/1296822212.db2.gz HCJZLVNKLGWLEY-UHFFFAOYSA-N 1 1 325.456 3.180 20 10 EGCDMO C[C@@](O)(C[NH2+]Cc1cccc(Br)c1O)c1cccs1 ZINC000304319011 1296917248 /nfs/dbraw/zinc/91/72/48/1296917248.db2.gz SBABUBUSDONATF-CQSZACIVSA-N 1 1 342.258 3.214 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000320085571 1297159476 /nfs/dbraw/zinc/15/94/76/1297159476.db2.gz YBHIODFXUBMZGP-NHYWBVRUSA-N 1 1 325.836 3.374 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1O ZINC000320085571 1297159479 /nfs/dbraw/zinc/15/94/79/1297159479.db2.gz YBHIODFXUBMZGP-NHYWBVRUSA-N 1 1 325.836 3.374 20 10 EGCDMO CCCOc1ccc(C[NH2+]Cc2ccccc2S(C)(=O)=O)cc1C ZINC000873132271 1297288668 /nfs/dbraw/zinc/28/86/68/1297288668.db2.gz MYWVVOVVIHFMAI-UHFFFAOYSA-N 1 1 347.480 3.477 20 10 EGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745854647 1298491680 /nfs/dbraw/zinc/49/16/80/1298491680.db2.gz MXJAUNAZWSVIQZ-FUHWJXTLSA-N 1 1 346.519 3.155 20 10 EGCDMO CO[C@H](C[N@@H+](Cc1ccco1)Cc1ccccc1O)C1CCOCC1 ZINC000876510367 1298798137 /nfs/dbraw/zinc/79/81/37/1298798137.db2.gz MGJNXXOAGFSARE-HXUWFJFHSA-N 1 1 345.439 3.429 20 10 EGCDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876531407 1298808118 /nfs/dbraw/zinc/80/81/18/1298808118.db2.gz FMYFQBMGECBRGY-MRXNPFEDSA-N 1 1 325.456 3.026 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876536995 1298811977 /nfs/dbraw/zinc/81/19/77/1298811977.db2.gz JSGJOVOUHGOJLO-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876536995 1298811985 /nfs/dbraw/zinc/81/19/85/1298811985.db2.gz JSGJOVOUHGOJLO-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO CO[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C)C1CCOCC1 ZINC000876585086 1298849118 /nfs/dbraw/zinc/84/91/18/1298849118.db2.gz YSDJJTHYHVKBCB-HXUWFJFHSA-N 1 1 334.504 3.405 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CC[C@@H](c4ccco4)C3)cc2)CC1 ZINC000876724015 1298938543 /nfs/dbraw/zinc/93/85/43/1298938543.db2.gz KXNNOQVBRRMZAP-QGZVFWFLSA-N 1 1 326.440 3.230 20 10 EGCDMO Cc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000876807227 1298998964 /nfs/dbraw/zinc/99/89/64/1298998964.db2.gz ZJQRATCMILXQDC-NVXWUHKLSA-N 1 1 333.453 3.087 20 10 EGCDMO Cc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)c(O)c1 ZINC000876807227 1298998973 /nfs/dbraw/zinc/99/89/73/1298998973.db2.gz ZJQRATCMILXQDC-NVXWUHKLSA-N 1 1 333.453 3.087 20 10 EGCDMO Cc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2F)C2CC2)c(O)c1 ZINC000877544979 1299388550 /nfs/dbraw/zinc/38/85/50/1299388550.db2.gz CJUZGRYFXDYXRV-UHFFFAOYSA-N 1 1 328.387 3.103 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCOc2ccccc2)c1 ZINC000756365184 1300476917 /nfs/dbraw/zinc/47/69/17/1300476917.db2.gz NRIPEMKXORRODK-CQSZACIVSA-N 1 1 329.396 3.299 20 10 EGCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000756420113 1300487164 /nfs/dbraw/zinc/48/71/64/1300487164.db2.gz HCPYHUWXGKUYJY-XHSDSOJGSA-N 1 1 348.487 3.197 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](Cn2ccnc2)C(C)(C)C)c1 ZINC000756442272 1300492417 /nfs/dbraw/zinc/49/24/17/1300492417.db2.gz NOPPTJCCDLGVMN-GUYCJALGSA-N 1 1 345.443 3.141 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)COc2cccc(F)c2)c1 ZINC000756457921 1300495921 /nfs/dbraw/zinc/49/59/21/1300495921.db2.gz ICRJGCAWVIZOQC-STQMWFEESA-N 1 1 347.386 3.436 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553928 1300520593 /nfs/dbraw/zinc/52/05/93/1300520593.db2.gz NIAGRWZFWKUULT-GHMZBOCLSA-N 1 1 345.256 3.286 20 10 EGCDMO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1O ZINC000756577258 1300525631 /nfs/dbraw/zinc/52/56/31/1300525631.db2.gz RGKYYUSKGMYSBT-OTYXRUKQSA-N 1 1 334.229 3.496 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2cccc(F)c2F)c1 ZINC000756710405 1300550594 /nfs/dbraw/zinc/55/05/94/1300550594.db2.gz CKTWTIOMTBMEAG-NSHDSACASA-N 1 1 335.350 3.350 20 10 EGCDMO Cc1ccc(N2CC[C@@H]([NH2+][C@H](C)c3cc(F)cc(F)c3O)C2=O)cc1 ZINC000756734749 1300556231 /nfs/dbraw/zinc/55/62/31/1300556231.db2.gz YSZPZUIGNDPSHV-SJKOYZFVSA-N 1 1 346.377 3.435 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643266 1301135352 /nfs/dbraw/zinc/13/53/52/1301135352.db2.gz LUKBNOGAGIWTRH-ZDUSSCGKSA-N 1 1 345.409 3.032 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+](CCCO)Cc2ccccc2)c1O ZINC000761193443 1301418066 /nfs/dbraw/zinc/41/80/66/1301418066.db2.gz DJTBWGNPOUEKBS-UHFFFAOYSA-N 1 1 335.831 3.439 20 10 EGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000762076211 1301608093 /nfs/dbraw/zinc/60/80/93/1301608093.db2.gz UFFWURXNBPYFMF-UHFFFAOYSA-N 1 1 331.460 3.380 20 10 EGCDMO O=C1O[C@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC12CC2 ZINC000763732819 1301953439 /nfs/dbraw/zinc/95/34/39/1301953439.db2.gz WGRWUPACOZDBFN-INIZCTEOSA-N 1 1 327.380 3.083 20 10 EGCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1C ZINC000764151765 1302021939 /nfs/dbraw/zinc/02/19/39/1302021939.db2.gz ZSLUQNMQMUCUFH-UHFFFAOYSA-N 1 1 339.483 3.199 20 10 EGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1cccc(N2CCOC2=O)c1 ZINC000882924965 1302170339 /nfs/dbraw/zinc/17/03/39/1302170339.db2.gz SAKSFAHEJQVNHQ-NSHDSACASA-N 1 1 348.349 3.478 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000883126318 1302262380 /nfs/dbraw/zinc/26/23/80/1302262380.db2.gz LTQFHOMXSSUYLA-GFCCVEGCSA-N 1 1 336.357 3.426 20 10 EGCDMO C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883145399 1302269934 /nfs/dbraw/zinc/26/99/34/1302269934.db2.gz ZDMAMTWSFONTIG-NSHDSACASA-N 1 1 345.256 3.115 20 10 EGCDMO C[C@@H](N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781735 1302325075 /nfs/dbraw/zinc/32/50/75/1302325075.db2.gz PTUJXAJUGCYPIH-CABCVRRESA-N 1 1 349.906 3.064 20 10 EGCDMO C[C@@H](N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000765781735 1302325088 /nfs/dbraw/zinc/32/50/88/1302325088.db2.gz PTUJXAJUGCYPIH-CABCVRRESA-N 1 1 349.906 3.064 20 10 EGCDMO CCc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000766136605 1302397948 /nfs/dbraw/zinc/39/79/48/1302397948.db2.gz UETUEOSMMDIKLQ-CYBMUJFWSA-N 1 1 333.407 3.064 20 10 EGCDMO CCN(C)c1ccc(Cn2cc(C[NH+]3CCC(C)CC3)nn2)cc1 ZINC000883994594 1302690637 /nfs/dbraw/zinc/69/06/37/1302690637.db2.gz FSYMTMYTHSYUQD-UHFFFAOYSA-N 1 1 327.476 3.014 20 10 EGCDMO CCOc1cccc(C[NH+]2CCN(CCc3ccccc3)CC2)c1O ZINC000768215669 1302858222 /nfs/dbraw/zinc/85/82/22/1302858222.db2.gz KTYKONJNIAUJOV-UHFFFAOYSA-N 1 1 340.467 3.151 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@H]1c1ccccc1 ZINC000768440901 1302903781 /nfs/dbraw/zinc/90/37/81/1302903781.db2.gz APRGJHKWUJQXPB-MJGOQNOKSA-N 1 1 325.408 3.401 20 10 EGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768446655 1302906585 /nfs/dbraw/zinc/90/65/85/1302906585.db2.gz ZLQGHSOLTVYNPZ-GOSISDBHSA-N 1 1 344.499 3.399 20 10 EGCDMO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)CC1CC1)[C@@H](O)CO2 ZINC000768447300 1302907039 /nfs/dbraw/zinc/90/70/39/1302907039.db2.gz OCTOYPASWPLNTL-IBGZPJMESA-N 1 1 343.398 3.369 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc(F)c(F)c1)[C@H](O)CO2 ZINC000768447835 1302907521 /nfs/dbraw/zinc/90/75/21/1302907521.db2.gz PXRYTOVZXCQSHH-FUHWJXTLSA-N 1 1 347.361 3.433 20 10 EGCDMO Cc1ccccc1[C@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768444309 1302907938 /nfs/dbraw/zinc/90/79/38/1302907938.db2.gz XGXHZWMBWKBDHU-IEBWSBKVSA-N 1 1 325.408 3.464 20 10 EGCDMO CCC[N@@H+](CCc1cccc(F)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768445740 1302908382 /nfs/dbraw/zinc/90/83/82/1302908382.db2.gz HGUGNCTWRQCYMW-IBGZPJMESA-N 1 1 345.414 3.412 20 10 EGCDMO CCC1(CC)[C@@H](OC)C[C@@H]1[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768462993 1302911462 /nfs/dbraw/zinc/91/14/62/1302911462.db2.gz PUPHLGPSQBWNLC-ROUUACIJSA-N 1 1 337.460 3.435 20 10 EGCDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1c(O)cccc1OC ZINC000769387012 1303103380 /nfs/dbraw/zinc/10/33/80/1303103380.db2.gz HBGDIWJPPZQEPT-UHFFFAOYSA-N 1 1 349.402 3.067 20 10 EGCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769399499 1303107564 /nfs/dbraw/zinc/10/75/64/1303107564.db2.gz SQPQPPHCHOHUIO-MRXNPFEDSA-N 1 1 333.432 3.053 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1F ZINC000769428342 1303112143 /nfs/dbraw/zinc/11/21/43/1303112143.db2.gz YTOOVGNXOKJRQQ-LJQANCHMSA-N 1 1 328.431 3.374 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)N(C(C)=O)C[C@H]2CC)c1 ZINC000769498082 1303126849 /nfs/dbraw/zinc/12/68/49/1303126849.db2.gz FIZKFMDQZJSZEN-IAGOWNOFSA-N 1 1 334.460 3.012 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000769534269 1303137265 /nfs/dbraw/zinc/13/72/65/1303137265.db2.gz UXJOBTQZJSNXME-MRXNPFEDSA-N 1 1 333.432 3.053 20 10 EGCDMO CCOc1ccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c(O)c1 ZINC000770667303 1303303123 /nfs/dbraw/zinc/30/31/23/1303303123.db2.gz OPNWSVPILLWUKP-FQEVSTJZSA-N 1 1 325.408 3.422 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000886522964 1303485895 /nfs/dbraw/zinc/48/58/95/1303485895.db2.gz ULRQUVIAUWVWJS-NEPJUHHUSA-N 1 1 328.387 3.462 20 10 EGCDMO CCc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3c(O)cccc3F)C2)ncn1 ZINC000886547643 1303495739 /nfs/dbraw/zinc/49/57/39/1303495739.db2.gz PBNNKQQZJNDFSQ-ZFWWWQNUSA-N 1 1 344.434 3.203 20 10 EGCDMO CC[C@H]([NH2+][C@H](C)c1c(O)cccc1F)C(=O)NCc1cccs1 ZINC000886630046 1303532010 /nfs/dbraw/zinc/53/20/10/1303532010.db2.gz UDXUTKGFSFALDW-RISCZKNCSA-N 1 1 336.432 3.338 20 10 EGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1c(O)cccc1F ZINC000886646827 1303537598 /nfs/dbraw/zinc/53/75/98/1303537598.db2.gz UREKOMGIMGOICM-ZDUSSCGKSA-N 1 1 347.459 3.330 20 10 EGCDMO C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1O ZINC000886670115 1303548643 /nfs/dbraw/zinc/54/86/43/1303548643.db2.gz JRCDESIDXHEBMU-HBNTYKKESA-N 1 1 334.243 3.280 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)cc1 ZINC000773771976 1303738263 /nfs/dbraw/zinc/73/82/63/1303738263.db2.gz HTWMUIFBPCIGKN-OAHLLOKOSA-N 1 1 335.492 3.488 20 10 EGCDMO CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774251035 1303790800 /nfs/dbraw/zinc/79/08/00/1303790800.db2.gz HWUZQJAKPLUAOH-VIFPVBQESA-N 1 1 329.231 3.204 20 10 EGCDMO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269354 1303792352 /nfs/dbraw/zinc/79/23/52/1303792352.db2.gz YYQPXVQUZQHUCU-RWEMILLDSA-N 1 1 331.243 3.264 20 10 EGCDMO COc1c(O)c(C[NH2+]CCCCc2ccccc2)ccc1[N+](=O)[O-] ZINC000774967311 1303883896 /nfs/dbraw/zinc/88/38/96/1303883896.db2.gz OUIHQOLZEOWNAQ-UHFFFAOYSA-N 1 1 330.384 3.422 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](CC(F)(F)F)C(C)C)ccc1[N+](=O)[O-] ZINC000775098114 1303907218 /nfs/dbraw/zinc/90/72/18/1303907218.db2.gz QOGRXKFDEUSRBB-JTQLQIEISA-N 1 1 336.310 3.376 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2c2ccc(O)cc2)cc1OC ZINC000775661104 1304007948 /nfs/dbraw/zinc/00/79/48/1304007948.db2.gz JLPLIEINQQZOCS-MRXNPFEDSA-N 1 1 329.396 3.452 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccco4)C3)cc2)CC1 ZINC000775693335 1304016691 /nfs/dbraw/zinc/01/66/91/1304016691.db2.gz ZHRUFWKKAOJCRB-SFHVURJKSA-N 1 1 325.456 3.021 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccco4)C3)cc2)CC1 ZINC000775693335 1304016699 /nfs/dbraw/zinc/01/66/99/1304016699.db2.gz ZHRUFWKKAOJCRB-SFHVURJKSA-N 1 1 325.456 3.021 20 10 EGCDMO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000775716420 1304019028 /nfs/dbraw/zinc/01/90/28/1304019028.db2.gz WRWIMABFOSQAPG-VQTJNVASSA-N 1 1 345.531 3.074 20 10 EGCDMO CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000775716420 1304019035 /nfs/dbraw/zinc/01/90/35/1304019035.db2.gz WRWIMABFOSQAPG-VQTJNVASSA-N 1 1 345.531 3.074 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)c1 ZINC000775715571 1304019389 /nfs/dbraw/zinc/01/93/89/1304019389.db2.gz GQYAOTPNVHNRKC-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1ccc(O)c(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000775715571 1304019392 /nfs/dbraw/zinc/01/93/92/1304019392.db2.gz GQYAOTPNVHNRKC-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1ccc(O)c(CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000775715571 1304019397 /nfs/dbraw/zinc/01/93/97/1304019397.db2.gz GQYAOTPNVHNRKC-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C(C)(C)CC(F)(F)F)cc2)CC1 ZINC000780588101 1304712837 /nfs/dbraw/zinc/71/28/37/1304712837.db2.gz CURHQXQQPXSFLA-UHFFFAOYSA-N 1 1 329.410 3.259 20 10 EGCDMO CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(C)c(O)c3O)c2C1 ZINC000780928251 1304752441 /nfs/dbraw/zinc/75/24/41/1304752441.db2.gz TXMCXKUZKVUXPI-UHFFFAOYSA-N 1 1 326.396 3.384 20 10 EGCDMO CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(C)c(O)c3O)c2C1 ZINC000780928251 1304752446 /nfs/dbraw/zinc/75/24/46/1304752446.db2.gz TXMCXKUZKVUXPI-UHFFFAOYSA-N 1 1 326.396 3.384 20 10 EGCDMO Cc1cc(Br)c(O)c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000781912428 1304890413 /nfs/dbraw/zinc/89/04/13/1304890413.db2.gz PVKAMIUHGIPUII-KGLIPLIRSA-N 1 1 339.277 3.132 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(O)cc1C ZINC000782844640 1305015863 /nfs/dbraw/zinc/01/58/63/1305015863.db2.gz ZJOLCNKOIKSUJR-OAHLLOKOSA-N 1 1 346.402 3.287 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cnn(C2CCC2)c1)C[C@H]1CCCO1 ZINC000891468711 1305058421 /nfs/dbraw/zinc/05/84/21/1305058421.db2.gz WFNJDSHVZFSFMD-LJQANCHMSA-N 1 1 341.455 3.495 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000783592536 1305113511 /nfs/dbraw/zinc/11/35/11/1305113511.db2.gz IPDWSQIZXRFLFP-JRGCBEDISA-N 1 1 327.516 3.449 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000783592536 1305113514 /nfs/dbraw/zinc/11/35/14/1305113514.db2.gz IPDWSQIZXRFLFP-JRGCBEDISA-N 1 1 327.516 3.449 20 10 EGCDMO COc1ccc(C[N@H+]2CCOc3ccccc3[C@H]2C)c(O)c1OC ZINC000891748589 1305155482 /nfs/dbraw/zinc/15/54/82/1305155482.db2.gz QYHADVKNHMUURV-CYBMUJFWSA-N 1 1 329.396 3.365 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2c(C)nc3sccn32)c(O)c1OC ZINC000891911715 1305207109 /nfs/dbraw/zinc/20/71/09/1305207109.db2.gz ZTJSKDQBKONUPN-UHFFFAOYSA-N 1 1 347.440 3.059 20 10 EGCDMO Cc1cc(C(=O)O[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1-c1ccccn1 ZINC000788124647 1305872658 /nfs/dbraw/zinc/87/26/58/1305872658.db2.gz YDKCTFXYLDLOSG-IRXDYDNUSA-N 1 1 339.439 3.273 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000893962846 1306149196 /nfs/dbraw/zinc/14/91/96/1306149196.db2.gz UCWXYRFVVJENFI-CYBMUJFWSA-N 1 1 344.402 3.373 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cc(Cl)ccc3C1)[C@H](O)CO2 ZINC000790451845 1306329034 /nfs/dbraw/zinc/32/90/34/1306329034.db2.gz LKGJQIKPRYKHAH-QGZVFWFLSA-N 1 1 331.799 3.030 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cc(Cl)ccc3C1)[C@H](O)CO2 ZINC000790451845 1306329041 /nfs/dbraw/zinc/32/90/41/1306329041.db2.gz LKGJQIKPRYKHAH-QGZVFWFLSA-N 1 1 331.799 3.030 20 10 EGCDMO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1cccc(Br)c1O ZINC000809724554 1317878268 /nfs/dbraw/zinc/87/82/68/1317878268.db2.gz PFFSJJJGSSAERJ-WFASDCNBSA-N 1 1 339.277 3.213 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000790948141 1308893677 /nfs/dbraw/zinc/89/36/77/1308893677.db2.gz YFFOCJGZWYCBRT-UHFFFAOYSA-N 1 1 337.778 3.288 20 10 EGCDMO CCOC(=O)N[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000790948579 1308893911 /nfs/dbraw/zinc/89/39/11/1308893911.db2.gz BMNCHVOIZWTSBZ-NSHDSACASA-N 1 1 346.830 3.435 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+]CC3(OC)CCCC3)cc2F)CC1 ZINC000790960405 1308896643 /nfs/dbraw/zinc/89/66/43/1308896643.db2.gz HPZJWBFIDCNODR-UHFFFAOYSA-N 1 1 349.494 3.016 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCO[C@H]2CCCCO2)c1 ZINC000894797888 1309078133 /nfs/dbraw/zinc/07/81/33/1309078133.db2.gz ASSVVHCYAKALRN-AWEZNQCLSA-N 1 1 344.249 3.096 20 10 EGCDMO CN(C)c1ccc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914725 1309258580 /nfs/dbraw/zinc/25/85/80/1309258580.db2.gz DXSFSKDFXGCAJB-DLBZAZTESA-N 1 1 341.421 3.488 20 10 EGCDMO CN(C)c1ccc(C[NH2+][C@H]2CCN3CCCC[C@H]23)c(C(F)(F)F)c1 ZINC000792914725 1309258585 /nfs/dbraw/zinc/25/85/85/1309258585.db2.gz DXSFSKDFXGCAJB-DLBZAZTESA-N 1 1 341.421 3.488 20 10 EGCDMO CCCCC[N@@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793066958 1309289204 /nfs/dbraw/zinc/28/92/04/1309289204.db2.gz OPFBSILCYCNXCL-UHFFFAOYSA-N 1 1 345.409 3.249 20 10 EGCDMO C[C@H]1C[N@H+](Cc2cc(Br)ccc2O)C[C@@H](C2CC2)O1 ZINC000793213746 1309318155 /nfs/dbraw/zinc/31/81/55/1309318155.db2.gz FZJVMUIDBXQKOJ-BONVTDFDSA-N 1 1 326.234 3.154 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(Br)ccc2O)C[C@@H](C2CC2)O1 ZINC000793213746 1309318164 /nfs/dbraw/zinc/31/81/64/1309318164.db2.gz FZJVMUIDBXQKOJ-BONVTDFDSA-N 1 1 326.234 3.154 20 10 EGCDMO CCOc1ccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c(O)c1 ZINC000793206373 1309317475 /nfs/dbraw/zinc/31/74/75/1309317475.db2.gz GRNZNFMPZJVIAQ-SFHVURJKSA-N 1 1 340.467 3.403 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702278 1309578170 /nfs/dbraw/zinc/57/81/70/1309578170.db2.gz JQMRPXOGLAMXQO-QRWLVFNGSA-N 1 1 333.472 3.378 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c1 ZINC000794890078 1309616637 /nfs/dbraw/zinc/61/66/37/1309616637.db2.gz MXHKHXMYSOXGHI-CALCHBBNSA-N 1 1 346.471 3.308 20 10 EGCDMO C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000795657558 1309800835 /nfs/dbraw/zinc/80/08/35/1309800835.db2.gz JPKXMGBQPURHPO-HNNXBMFYSA-N 1 1 343.446 3.201 20 10 EGCDMO C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1 ZINC000795657558 1309800841 /nfs/dbraw/zinc/80/08/41/1309800841.db2.gz JPKXMGBQPURHPO-HNNXBMFYSA-N 1 1 343.446 3.201 20 10 EGCDMO CC[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(F)cc1O ZINC000796697157 1310066611 /nfs/dbraw/zinc/06/66/11/1310066611.db2.gz UMNMPQXGZYVTBB-INIZCTEOSA-N 1 1 326.375 3.353 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(C)c1)c1ccc(F)cc1O ZINC000796704283 1310067921 /nfs/dbraw/zinc/06/79/21/1310067921.db2.gz NJEUBDLZZCQEGU-CRAIPNDOSA-N 1 1 333.403 3.320 20 10 EGCDMO CC[C@@H]([NH2+]CCCOCC1CCOCC1)c1ccc(F)cc1O ZINC000796782319 1310086117 /nfs/dbraw/zinc/08/61/17/1310086117.db2.gz ZARMMXHGITWGKA-QGZVFWFLSA-N 1 1 325.424 3.405 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C(=O)N(C)c3ccccc3)C2)c1 ZINC000797421339 1310187248 /nfs/dbraw/zinc/18/72/48/1310187248.db2.gz NTPYHNQRIDQLQI-KRWDZBQOSA-N 1 1 338.451 3.494 20 10 EGCDMO CN(C)c1ccc([C@H](CNCc2nc3c(s2)CCC3)[NH+](C)C)cc1 ZINC000898449343 1310740909 /nfs/dbraw/zinc/74/09/09/1310740909.db2.gz BZNAZSWQUPPAHY-KRWDZBQOSA-N 1 1 344.528 3.090 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2F)CC1 ZINC000800477698 1310767024 /nfs/dbraw/zinc/76/70/24/1310767024.db2.gz CDINUNZGTBZIKH-LJQANCHMSA-N 1 1 331.479 3.390 20 10 EGCDMO Cc1cccc(C[NH2+][C@H](CCNC(=O)OC(C)(C)C)C(F)F)c1O ZINC000824672984 1320275660 /nfs/dbraw/zinc/27/56/60/1320275660.db2.gz MCKBLOMISQMQGG-CYBMUJFWSA-N 1 1 344.402 3.339 20 10 EGCDMO CO[C@@H]([C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000825098117 1320309615 /nfs/dbraw/zinc/30/96/15/1320309615.db2.gz AEVVZXPMKMKMLQ-BONVTDFDSA-N 1 1 328.250 3.366 20 10 EGCDMO COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000825737293 1320359787 /nfs/dbraw/zinc/35/97/87/1320359787.db2.gz XZUSGBZZCHKPTM-RDTXWAMCSA-N 1 1 346.471 3.375 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)CC2)ccc1N(C)C ZINC000839665428 1320954886 /nfs/dbraw/zinc/95/48/86/1320954886.db2.gz HWAYGCGBVSLTMN-SFHVURJKSA-N 1 1 329.488 3.038 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000802655185 1317024078 /nfs/dbraw/zinc/02/40/78/1317024078.db2.gz RTDDIWJXBIQZCL-GOSISDBHSA-N 1 1 338.423 3.268 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@]1(C)CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000802655185 1317024087 /nfs/dbraw/zinc/02/40/87/1317024087.db2.gz RTDDIWJXBIQZCL-GOSISDBHSA-N 1 1 338.423 3.268 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1cccs1 ZINC000808221649 1317646255 /nfs/dbraw/zinc/64/62/55/1317646255.db2.gz BQHOPKRCVVFZPO-WMLDXEAASA-N 1 1 331.437 3.463 20 10 EGCDMO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1O ZINC000809703355 1317869291 /nfs/dbraw/zinc/86/92/91/1317869291.db2.gz JJNGGTZFGUETAX-GXTWGEPZSA-N 1 1 339.277 3.213 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)CN(C)C(C)C)c1 ZINC000810173160 1317969348 /nfs/dbraw/zinc/96/93/48/1317969348.db2.gz XRQPWVAMAHEANJ-GFCCVEGCSA-N 1 1 329.282 3.281 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000811513416 1318191729 /nfs/dbraw/zinc/19/17/29/1318191729.db2.gz YZCDAWTWVMYEQC-CYBMUJFWSA-N 1 1 328.378 3.139 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CC(=O)N(c2ccccc2F)C1)c1ccc(F)cc1O ZINC000812739763 1318446304 /nfs/dbraw/zinc/44/63/04/1318446304.db2.gz CJTLDRLBJHDCBH-YPMHNXCESA-N 1 1 332.350 3.127 20 10 EGCDMO Cc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)nc(N2CCCC2)n1 ZINC000813884782 1318651158 /nfs/dbraw/zinc/65/11/58/1318651158.db2.gz HRVXYLLJLRPDCQ-GFCCVEGCSA-N 1 1 348.397 3.220 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)C1)[C@H](O)CO2 ZINC000814224937 1318703086 /nfs/dbraw/zinc/70/30/86/1318703086.db2.gz CHQXAVOBDQWZEC-DNVCBOLYSA-N 1 1 325.408 3.198 20 10 EGCDMO Cc1cc(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)ccc1N(C)C ZINC000815046625 1318873778 /nfs/dbraw/zinc/87/37/78/1318873778.db2.gz ABFMQSZYXQOYCU-SFHVURJKSA-N 1 1 329.488 3.038 20 10 EGCDMO CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000815566316 1319017635 /nfs/dbraw/zinc/01/76/35/1319017635.db2.gz PTPDDBRQTMDXNG-WDEREUQCSA-N 1 1 332.366 3.366 20 10 EGCDMO NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816483573 1319163183 /nfs/dbraw/zinc/16/31/83/1319163183.db2.gz XCEZHHPCCRWOMQ-UHFFFAOYSA-N 1 1 336.794 3.062 20 10 EGCDMO NC(=O)CC[N@@H+](Cc1ccccc1)Cc1cc(Cl)c(F)cc1O ZINC000816483573 1319163185 /nfs/dbraw/zinc/16/31/85/1319163185.db2.gz XCEZHHPCCRWOMQ-UHFFFAOYSA-N 1 1 336.794 3.062 20 10 EGCDMO CCOC(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816499219 1319167801 /nfs/dbraw/zinc/16/78/01/1319167801.db2.gz JEUJCMRPVUCVNE-UHFFFAOYSA-N 1 1 328.412 3.210 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]C[C@H]1COC2(CCCCC2)O1 ZINC000816560717 1319182760 /nfs/dbraw/zinc/18/27/60/1319182760.db2.gz XYYJHGULXXCMOE-LBPRGKRZSA-N 1 1 329.799 3.350 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H](CO)O1 ZINC000817412095 1319351241 /nfs/dbraw/zinc/35/12/41/1319351241.db2.gz CWULFAXSVXBZLK-SFHVURJKSA-N 1 1 327.424 3.031 20 10 EGCDMO CC[C@@H]1C[NH+](Cc2ccc(N3CCOCC3)c(F)c2)C[C@@H](CC)O1 ZINC000817412155 1319351792 /nfs/dbraw/zinc/35/17/92/1319351792.db2.gz DYXHPWXXDVWRSE-IAGOWNOFSA-N 1 1 336.451 3.052 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCC[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000817413431 1319354167 /nfs/dbraw/zinc/35/41/67/1319354167.db2.gz XTXLVFYJAAHIBU-SNVBAGLBSA-N 1 1 348.321 3.473 20 10 EGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938409 1319466037 /nfs/dbraw/zinc/46/60/37/1319466037.db2.gz JYIMKWCIQWVQKF-IIBYNOLFSA-N 1 1 349.482 3.289 20 10 EGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938639 1319467106 /nfs/dbraw/zinc/46/71/06/1319467106.db2.gz OTFHQGMKORQCOI-IERDGZPVSA-N 1 1 349.482 3.289 20 10 EGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(-n2cccn2)cc1 ZINC000817938407 1319467406 /nfs/dbraw/zinc/46/74/06/1319467406.db2.gz JYIMKWCIQWVQKF-HRAATJIYSA-N 1 1 349.482 3.289 20 10 EGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)COC2 ZINC000817941134 1319469728 /nfs/dbraw/zinc/46/97/28/1319469728.db2.gz JDAHEYZTNWQKDY-VLIAUNLRSA-N 1 1 325.456 3.133 20 10 EGCDMO CCc1nc(C)c([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942744 1319470023 /nfs/dbraw/zinc/47/00/23/1319470023.db2.gz QSMLQSSXPRAOKL-WBMJQRKESA-N 1 1 332.517 3.431 20 10 EGCDMO C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817953301 1319474871 /nfs/dbraw/zinc/47/48/71/1319474871.db2.gz ZLYXMBBFUMCMJT-WPRPVWTQSA-N 1 1 333.657 3.211 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(Br)cc1[O-] ZINC000817960115 1319478651 /nfs/dbraw/zinc/47/86/51/1319478651.db2.gz KPJBGFLETXEJFN-WDMOLILDSA-N 1 1 327.266 3.323 20 10 EGCDMO C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817970037 1319481016 /nfs/dbraw/zinc/48/10/16/1319481016.db2.gz KASSUUBMGAPHIU-SOUVJXGZSA-N 1 1 337.895 3.097 20 10 EGCDMO CCn1nc(C)c(C[NH2+][C@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000818344782 1319532024 /nfs/dbraw/zinc/53/20/24/1319532024.db2.gz QNGNKYDWOBXQCH-OAHLLOKOSA-N 1 1 327.476 3.448 20 10 EGCDMO COc1cccc(C[C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917485878 1319821052 /nfs/dbraw/zinc/82/10/52/1319821052.db2.gz JSSSYIYNPSLLLN-MRXNPFEDSA-N 1 1 341.407 3.337 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000822503683 1320090289 /nfs/dbraw/zinc/09/02/89/1320090289.db2.gz LJFJAYLTTLCKPC-PKOBYXMFSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1cccc(O)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822503683 1320090293 /nfs/dbraw/zinc/09/02/93/1320090293.db2.gz LJFJAYLTTLCKPC-PKOBYXMFSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1cccc(O)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000822503683 1320090299 /nfs/dbraw/zinc/09/02/99/1320090299.db2.gz LJFJAYLTTLCKPC-PKOBYXMFSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)c1O ZINC000824721912 1320280434 /nfs/dbraw/zinc/28/04/34/1320280434.db2.gz KVHKCTWNETVSMP-RBSFLKMASA-N 1 1 325.836 3.180 20 10 EGCDMO Cc1cc(O)c(C[N@H+](C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1Cl ZINC000824862043 1320292201 /nfs/dbraw/zinc/29/22/01/1320292201.db2.gz HHJCMUFZXKOHCP-GDBMZVCRSA-N 1 1 345.892 3.142 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000824914812 1320295791 /nfs/dbraw/zinc/29/57/91/1320295791.db2.gz ZVFIYBPBTGYVLO-ZDUSSCGKSA-N 1 1 328.275 3.482 20 10 EGCDMO O=C1OCCN1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826994610 1320419095 /nfs/dbraw/zinc/41/90/95/1320419095.db2.gz LSWGAMBHYNRFBI-GOSISDBHSA-N 1 1 338.407 3.086 20 10 EGCDMO CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(N2CCCCC2)c(C)c1 ZINC000827473371 1320455681 /nfs/dbraw/zinc/45/56/81/1320455681.db2.gz QGCCGTILTDJXFV-UHFFFAOYSA-N 1 1 331.504 3.286 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000837724080 1320674467 /nfs/dbraw/zinc/67/44/67/1320674467.db2.gz CLIBHNLGOIYHSE-LJQANCHMSA-N 1 1 346.519 3.157 20 10 EGCDMO Cc1ccc(-c2n[nH]cc2CNC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000841043685 1321208779 /nfs/dbraw/zinc/20/87/79/1321208779.db2.gz QCEOAQFDMVTVRB-FQEVSTJZSA-N 1 1 349.482 3.241 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc3c(c2)CC(C)(C)O3)cc1 ZINC000841046178 1321209289 /nfs/dbraw/zinc/20/92/89/1321209289.db2.gz XLEWGNSMMOBXLA-IBGZPJMESA-N 1 1 339.483 3.256 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1ccc(Cl)cc1O ZINC000841757685 1321307454 /nfs/dbraw/zinc/30/74/54/1321307454.db2.gz PCUOBDORRROEFS-GHJWDPDVSA-N 1 1 335.835 3.350 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000843052536 1321462361 /nfs/dbraw/zinc/46/23/61/1321462361.db2.gz VNABLLHUOSFTPM-NEPJUHHUSA-N 1 1 327.266 3.022 20 10 EGCDMO Oc1c(Br)cccc1CN1CCC([NH2+]CC2CC2)CC1 ZINC000843054249 1321463163 /nfs/dbraw/zinc/46/31/63/1321463163.db2.gz HLZSBCNCEULFTE-UHFFFAOYSA-N 1 1 339.277 3.119 20 10 EGCDMO CC(C)Cn1nccc1C[NH2+]Cc1cccc(Br)c1O ZINC000843405162 1321512818 /nfs/dbraw/zinc/51/28/18/1321512818.db2.gz BWKKSKKTTGPENL-UHFFFAOYSA-N 1 1 338.249 3.297 20 10 EGCDMO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H]1CC[N@@H+](C)C1 ZINC000843991446 1321564731 /nfs/dbraw/zinc/56/47/31/1321564731.db2.gz KAEUYCAFHXYRPZ-KRWDZBQOSA-N 1 1 340.471 3.045 20 10 EGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)CO1 ZINC000844390828 1321598793 /nfs/dbraw/zinc/59/87/93/1321598793.db2.gz KOJCQQUAGYMMHT-VQIMIIECSA-N 1 1 332.488 3.301 20 10 EGCDMO C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Cl)c(Cl)cc1O ZINC000846214208 1321776782 /nfs/dbraw/zinc/77/67/82/1321776782.db2.gz UFYLZDWDYJNPKS-MEBBXXQBSA-N 1 1 334.243 3.281 20 10 EGCDMO C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Cl)c(Cl)cc1O ZINC000846214202 1321776989 /nfs/dbraw/zinc/77/69/89/1321776989.db2.gz UFYLZDWDYJNPKS-BMIGLBTASA-N 1 1 334.243 3.281 20 10 EGCDMO Cc1nc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)[nH]c1C ZINC000850034578 1322186497 /nfs/dbraw/zinc/18/64/97/1322186497.db2.gz OYJVPJVOCQHVNV-CHWSQXEVSA-N 1 1 346.450 3.069 20 10 EGCDMO COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c(C(C)(C)C)c1 ZINC000850315151 1322226526 /nfs/dbraw/zinc/22/65/26/1322226526.db2.gz OZKQXBKOEADQEG-MQVJKMGUSA-N 1 1 332.488 3.413 20 10 EGCDMO C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc(F)cc(F)c1O ZINC000850530624 1322262032 /nfs/dbraw/zinc/26/20/32/1322262032.db2.gz AATNCVGACIORKC-NSHDSACASA-N 1 1 347.427 3.069 20 10 EGCDMO C[C@@H]([NH2+]C[C@H](O)c1cc(F)c(F)c(F)c1)c1cc(F)cc(F)c1O ZINC000850580960 1322273381 /nfs/dbraw/zinc/27/33/81/1322273381.db2.gz SIYWMKXKYOXVMB-UOWDBTKRSA-N 1 1 347.283 3.472 20 10 EGCDMO CCC[N@H+](Cc1[nH]nc(C)c1C(=O)OCC)Cc1ccccc1O ZINC000851792480 1323090939 /nfs/dbraw/zinc/09/09/39/1323090939.db2.gz PAWFMWDPABXFBS-UHFFFAOYSA-N 1 1 331.416 3.013 20 10 EGCDMO CCC[N@@H+](Cc1[nH]nc(C)c1C(=O)OCC)Cc1ccccc1O ZINC000851792480 1323090942 /nfs/dbraw/zinc/09/09/42/1323090942.db2.gz PAWFMWDPABXFBS-UHFFFAOYSA-N 1 1 331.416 3.013 20 10 EGCDMO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853092583 1323277607 /nfs/dbraw/zinc/27/76/07/1323277607.db2.gz BWFDVFMKOTYKOI-ZDUSSCGKSA-N 1 1 326.843 3.396 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)cc(C)n3)CC2)c(OC)c1 ZINC000931530524 1329136692 /nfs/dbraw/zinc/13/66/92/1329136692.db2.gz IMQYRBSZFBEOFX-UHFFFAOYSA-N 1 1 341.455 3.038 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)cc1OC ZINC000853572222 1325125689 /nfs/dbraw/zinc/12/56/89/1325125689.db2.gz QNCVZRURFMCACS-WMLDXEAASA-N 1 1 335.444 3.191 20 10 EGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)cc1F ZINC000862374239 1329479658 /nfs/dbraw/zinc/47/96/58/1329479658.db2.gz JWLGKNRHXIMUSK-HXUWFJFHSA-N 1 1 346.421 3.167 20 10 EGCDMO CN(C)c1cc(F)c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000862395761 1329482269 /nfs/dbraw/zinc/48/22/69/1329482269.db2.gz XTVIGSVMIHGQRJ-YJBOKZPZSA-N 1 1 332.394 3.339 20 10 EGCDMO CN(C)c1cc(F)c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)cc1F ZINC000862395761 1329482270 /nfs/dbraw/zinc/48/22/70/1329482270.db2.gz XTVIGSVMIHGQRJ-YJBOKZPZSA-N 1 1 332.394 3.339 20 10 EGCDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1(C)COC1 ZINC000862478112 1329489516 /nfs/dbraw/zinc/48/95/16/1329489516.db2.gz XTWDXEBOMUNWSF-UHFFFAOYSA-N 1 1 327.424 3.440 20 10 EGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(C)cc(OC)c1O ZINC000863294611 1329544239 /nfs/dbraw/zinc/54/42/39/1329544239.db2.gz KFNRJIDEXUBQOE-UHFFFAOYSA-N 1 1 338.448 3.056 20 10 EGCDMO C[C@@H](C[N@@H+](C)Cc1c(O)ccc2ccncc21)NC(=O)OC(C)(C)C ZINC000863332407 1329547224 /nfs/dbraw/zinc/54/72/24/1329547224.db2.gz FPXDRHLIPCZHTG-ZDUSSCGKSA-N 1 1 345.443 3.285 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2[O-])CC[C@H]1C[NH3+] ZINC001205638961 1370823723 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COc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(OC)c1 ZINC001203359833 1370098656 /nfs/dbraw/zinc/09/86/56/1370098656.db2.gz JUTAOPCLZGRFLA-UHFFFAOYSA-N 1 1 330.403 3.165 20 10 EGCDMO CCOC(=O)c1cc2c(s1)CC[N@H+](Cc1cccc(OC)c1O)C2 ZINC001203596010 1370182693 /nfs/dbraw/zinc/18/26/93/1370182693.db2.gz YLQVNOJLMRGIDV-UHFFFAOYSA-N 1 1 347.436 3.197 20 10 EGCDMO CCOC(=O)c1cc2c(s1)CC[N@@H+](Cc1cccc(OC)c1O)C2 ZINC001203596010 1370182694 /nfs/dbraw/zinc/18/26/94/1370182694.db2.gz YLQVNOJLMRGIDV-UHFFFAOYSA-N 1 1 347.436 3.197 20 10 EGCDMO COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665218 1370209061 /nfs/dbraw/zinc/20/90/61/1370209061.db2.gz CASXGYHOGKXIDE-CQSZACIVSA-N 1 1 334.803 3.103 20 10 EGCDMO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@@H]3OCC2CC2)c1 ZINC001203672795 1370211767 /nfs/dbraw/zinc/21/17/67/1370211767.db2.gz DTOUDFKPMKZERA-BPAFIMBUSA-N 1 1 331.456 3.428 20 10 EGCDMO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)cc1O ZINC001203878481 1370297555 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C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(N2CCCC2)cc1 ZINC001320788724 1386718770 /nfs/dbraw/zinc/71/87/70/1386718770.db2.gz QDPOWFLGKRNXLB-UHFFFAOYSA-N 1 1 329.488 3.025 20 10 EGCDMO CC(C)[N@@H+]1CC[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001182828277 1387231510 /nfs/dbraw/zinc/23/15/10/1387231510.db2.gz BGTJAMXZMCCKNH-NWPGUURUSA-N 1 1 338.415 3.088 20 10 EGCDMO CC(C)[N@H+]1CC[C@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001182828277 1387231512 /nfs/dbraw/zinc/23/15/12/1387231512.db2.gz BGTJAMXZMCCKNH-NWPGUURUSA-N 1 1 338.415 3.088 20 10 EGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC001350613680 1391489812 /nfs/dbraw/zinc/48/98/12/1391489812.db2.gz ZZXCVVIWBBFJMY-ZDUSSCGKSA-N 1 1 342.233 3.072 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@]2(CCCOC2)O1 ZINC000366478450 457821863 /nfs/dbraw/zinc/82/18/63/457821863.db2.gz PBXRCIGNYIIYSP-MEDUHNTESA-N 1 1 346.254 3.469 20 10 EGCDMO CC(C)([NH2+]Cc1cc(F)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000180845172 455254945 /nfs/dbraw/zinc/25/49/45/455254945.db2.gz OLSWHZAPCITIJE-UHFFFAOYSA-N 1 1 326.375 3.137 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1C ZINC000092037715 454506469 /nfs/dbraw/zinc/50/64/69/454506469.db2.gz YEJWSDIQHROXSN-FPOVZHCZSA-N 1 1 341.451 3.334 20 10 EGCDMO COc1cccc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1O ZINC000092587772 454590810 /nfs/dbraw/zinc/59/08/10/454590810.db2.gz VILGHWHFHDXKER-QGZVFWFLSA-N 1 1 332.488 3.345 20 10 EGCDMO Cc1ccc(O)c(C[NH+]2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000092789422 454633891 /nfs/dbraw/zinc/63/38/91/454633891.db2.gz SSLGWYNGCAYWBS-UHFFFAOYSA-N 1 1 349.434 3.140 20 10 EGCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)cn1 ZINC000093869960 454743477 /nfs/dbraw/zinc/74/34/77/454743477.db2.gz VQAQOFAAXYARFI-LJQANCHMSA-N 1 1 338.499 3.475 20 10 EGCDMO C[C@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000111875719 454877654 /nfs/dbraw/zinc/87/76/54/454877654.db2.gz PGNBLGYJESICEU-MRXNPFEDSA-N 1 1 341.455 3.054 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cncs3)cc2F)CC1 ZINC000155275741 454982322 /nfs/dbraw/zinc/98/23/22/454982322.db2.gz NCXQLAKPCXPFDV-AWEZNQCLSA-N 1 1 348.491 3.275 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1 ZINC000180414896 455165776 /nfs/dbraw/zinc/16/57/76/455165776.db2.gz IUQPXHUKUXNSAZ-HXUWFJFHSA-N 1 1 325.408 3.075 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000180472083 455176311 /nfs/dbraw/zinc/17/63/11/455176311.db2.gz LDRAJEJURKBZEW-KRWDZBQOSA-N 1 1 327.424 3.440 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](COCc3ccccc3)C1)OCO2 ZINC000172970602 455214875 /nfs/dbraw/zinc/21/48/75/455214875.db2.gz RTSKCGBBOOQYLX-MRXNPFEDSA-N 1 1 341.407 3.160 20 10 EGCDMO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)n1 ZINC000191824064 455522854 /nfs/dbraw/zinc/52/28/54/455522854.db2.gz BCYXFLRBPGKRGE-AWEZNQCLSA-N 1 1 332.425 3.363 20 10 EGCDMO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2ccccc2O)n1 ZINC000191824064 455522856 /nfs/dbraw/zinc/52/28/56/455522856.db2.gz BCYXFLRBPGKRGE-AWEZNQCLSA-N 1 1 332.425 3.363 20 10 EGCDMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(N(C)C)cc2)cc1 ZINC000283932818 455612848 /nfs/dbraw/zinc/61/28/48/455612848.db2.gz JFVHKBOMIPOUAW-FQEVSTJZSA-N 1 1 327.472 3.154 20 10 EGCDMO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)c(Cl)cc1O ZINC000192755596 455686459 /nfs/dbraw/zinc/68/64/59/455686459.db2.gz MZXVVOMFNGGXAI-LURJTMIESA-N 1 1 345.148 3.028 20 10 EGCDMO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000192808720 455698179 /nfs/dbraw/zinc/69/81/79/455698179.db2.gz WQRZUUTYTLOPDL-WCBMZHEXSA-N 1 1 341.242 3.265 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnccn1 ZINC000268895895 455721768 /nfs/dbraw/zinc/72/17/68/455721768.db2.gz VMYXCABXNNVFHN-RBSFLKMASA-N 1 1 344.434 3.080 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278141998 455769416 /nfs/dbraw/zinc/76/94/16/455769416.db2.gz BBMFCIQYYFFDEB-JSGCOSHPSA-N 1 1 338.429 3.169 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCS[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000278141998 455769420 /nfs/dbraw/zinc/76/94/20/455769420.db2.gz BBMFCIQYYFFDEB-JSGCOSHPSA-N 1 1 338.429 3.169 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186449096 455771007 /nfs/dbraw/zinc/77/10/07/455771007.db2.gz BRVFXJMHGDTWOB-FQEVSTJZSA-N 1 1 325.408 3.422 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186696081 455821554 /nfs/dbraw/zinc/82/15/54/455821554.db2.gz ZGQMLBCKTRWWEA-HXUWFJFHSA-N 1 1 341.382 3.365 20 10 EGCDMO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278463787 455836096 /nfs/dbraw/zinc/83/60/96/455836096.db2.gz FPCZTUNQRYQCOP-GXTWGEPZSA-N 1 1 340.445 3.463 20 10 EGCDMO COc1c(O)c(C[NH2+]CC(C)(C)c2cccs2)ccc1[N+](=O)[O-] ZINC000278487483 455838024 /nfs/dbraw/zinc/83/80/24/455838024.db2.gz KUTJITSTDPFJSQ-UHFFFAOYSA-N 1 1 336.413 3.438 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278622097 455843267 /nfs/dbraw/zinc/84/32/67/455843267.db2.gz FUSJAWUDJCUCMJ-CYBMUJFWSA-N 1 1 348.330 3.062 20 10 EGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295897113 455862248 /nfs/dbraw/zinc/86/22/48/455862248.db2.gz DVHOWJZWOLJZIS-NRFANRHFSA-N 1 1 346.515 3.429 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@]2(CCOC2)O1 ZINC000280325439 455947470 /nfs/dbraw/zinc/94/74/70/455947470.db2.gz QSDNKZOIUNKZAI-IERDGZPVSA-N 1 1 339.435 3.439 20 10 EGCDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423770 455968968 /nfs/dbraw/zinc/96/89/68/455968968.db2.gz IWIWDKXIICRVDT-GLKRBJQHSA-N 1 1 346.254 3.467 20 10 EGCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423770 455968970 /nfs/dbraw/zinc/96/89/70/455968970.db2.gz IWIWDKXIICRVDT-GLKRBJQHSA-N 1 1 346.254 3.467 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1O ZINC000289686586 456136530 /nfs/dbraw/zinc/13/65/30/456136530.db2.gz ZXYHGQMUEBXBJX-UHFFFAOYSA-N 1 1 330.384 3.374 20 10 EGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@]1=O ZINC000289805695 456143471 /nfs/dbraw/zinc/14/34/71/456143471.db2.gz SNUJKZPFISDSEX-XKDCRVNJSA-N 1 1 334.529 3.408 20 10 EGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H](C)[S@]1=O ZINC000289805695 456143475 /nfs/dbraw/zinc/14/34/75/456143475.db2.gz SNUJKZPFISDSEX-XKDCRVNJSA-N 1 1 334.529 3.408 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)c2ccccn2)c1 ZINC000297230926 456156258 /nfs/dbraw/zinc/15/62/58/456156258.db2.gz HVJAFSGMILISLB-CYBMUJFWSA-N 1 1 328.412 3.202 20 10 EGCDMO COCC[C@@H]([NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)c1ccco1 ZINC000273411058 456229152 /nfs/dbraw/zinc/22/91/52/456229152.db2.gz HWYSOQUGQJCQNK-IUODEOHRSA-N 1 1 333.384 3.200 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000273443948 456231097 /nfs/dbraw/zinc/23/10/97/456231097.db2.gz ZISVSFAIMONQOZ-STQMWFEESA-N 1 1 329.396 3.083 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000273540904 456237665 /nfs/dbraw/zinc/23/76/65/456237665.db2.gz YGGJWCUEXRUXRA-HIFRSBDPSA-N 1 1 333.428 3.321 20 10 EGCDMO C[C@@H]1CN(c2ccccc2CNc2ccc3c(c2)[nH+]cn3C)CCO1 ZINC000297639111 456268805 /nfs/dbraw/zinc/26/88/05/456268805.db2.gz MNJILSVKNUVSTP-OAHLLOKOSA-N 1 1 336.439 3.411 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)c1O ZINC000290320635 456290286 /nfs/dbraw/zinc/29/02/86/456290286.db2.gz CYHSZPVKBRXJQL-WFASDCNBSA-N 1 1 341.293 3.235 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c1 ZINC000290557696 456364537 /nfs/dbraw/zinc/36/45/37/456364537.db2.gz SESQDRHDCAAJBF-UHFFFAOYSA-N 1 1 344.455 3.480 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1 ZINC000290557696 456364543 /nfs/dbraw/zinc/36/45/43/456364543.db2.gz SESQDRHDCAAJBF-UHFFFAOYSA-N 1 1 344.455 3.480 20 10 EGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1)c1ncnn1C ZINC000276560240 456515241 /nfs/dbraw/zinc/51/52/41/456515241.db2.gz GEVGQHCWFITVPD-ZIAGYGMSSA-N 1 1 331.439 3.356 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000283743862 456833585 /nfs/dbraw/zinc/83/35/85/456833585.db2.gz IYJVBDFGNVRDKB-MSOLQXFVSA-N 1 1 345.487 3.331 20 10 EGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862380 457456879 /nfs/dbraw/zinc/45/68/79/457456879.db2.gz YWACRISIESXXDW-UBHSHLNASA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Cl)c(Cl)cc1O ZINC000365495331 457762476 /nfs/dbraw/zinc/76/24/76/457762476.db2.gz RRMPVMUOBHGXJN-SDDRHHMPSA-N 1 1 345.270 3.213 20 10 EGCDMO CC[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1ccc(F)cc1O ZINC000375794249 458067625 /nfs/dbraw/zinc/06/76/25/458067625.db2.gz VCYAWVDJYYDRMK-MRXNPFEDSA-N 1 1 326.375 3.353 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)cc1 ZINC000372398671 458300794 /nfs/dbraw/zinc/30/07/94/458300794.db2.gz SJETVULNIZQMDK-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471843949 458742192 /nfs/dbraw/zinc/74/21/92/458742192.db2.gz JSMDLSVTSROEPG-AWEZNQCLSA-N 1 1 330.476 3.016 20 10 EGCDMO CC(C)[N@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738088500 574700869 /nfs/dbraw/zinc/70/08/69/574700869.db2.gz FKWSMWBVJDTVCH-UHFFFAOYSA-N 1 1 327.472 3.493 20 10 EGCDMO CC(C)[N@@H+](C)CC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000738088500 574700870 /nfs/dbraw/zinc/70/08/70/574700870.db2.gz FKWSMWBVJDTVCH-UHFFFAOYSA-N 1 1 327.472 3.493 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000730773259 575018798 /nfs/dbraw/zinc/01/87/98/575018798.db2.gz ARCDCSQQJPTGCR-KRWDZBQOSA-N 1 1 337.467 3.369 20 10 EGCDMO CCC[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000732203305 575244358 /nfs/dbraw/zinc/24/43/58/575244358.db2.gz WMWHWOSENDGUNI-SFHVURJKSA-N 1 1 326.440 3.482 20 10 EGCDMO CCCC[N@@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000732822270 575289871 /nfs/dbraw/zinc/28/98/71/575289871.db2.gz HNLQKCPRRGSCLD-UHFFFAOYSA-N 1 1 348.491 3.407 20 10 EGCDMO 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CC[N@@H+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC000754383426 1300134874 /nfs/dbraw/zinc/13/48/74/1300134874.db2.gz ALLMYFJJUWEOIK-QGZVFWFLSA-N 1 1 339.483 3.303 20 10 EGCDMO CC[N@H+]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC000754383426 1300134883 /nfs/dbraw/zinc/13/48/83/1300134883.db2.gz ALLMYFJJUWEOIK-QGZVFWFLSA-N 1 1 339.483 3.303 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000754639463 1300179847 /nfs/dbraw/zinc/17/98/47/1300179847.db2.gz IUQYBMFZGXHWKS-GOSISDBHSA-N 1 1 326.440 3.042 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2CO)c(C)n1-c1cccc(C)c1 ZINC000754639463 1300179848 /nfs/dbraw/zinc/17/98/48/1300179848.db2.gz IUQYBMFZGXHWKS-GOSISDBHSA-N 1 1 326.440 3.042 20 10 EGCDMO C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)c1cc(F)cc(F)c1O ZINC000756392957 1300483462 /nfs/dbraw/zinc/48/34/62/1300483462.db2.gz LLESXVNGDAWNIB-LLVKDONJSA-N 1 1 330.338 3.102 20 10 EGCDMO Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756460499 1300497460 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Cc1nc([C@H](C)[NH2+]C[C@@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449654 1317701891 /nfs/dbraw/zinc/70/18/91/1317701891.db2.gz ZAIDLLBOTPIAHF-UGSOOPFHSA-N 1 1 332.517 3.471 20 10 EGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)ccc1O ZINC000809690916 1317864475 /nfs/dbraw/zinc/86/44/75/1317864475.db2.gz FPRMGGZXVZKFPC-AWEZNQCLSA-N 1 1 326.824 3.146 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2CCC(=O)NC)cc1 ZINC000809713852 1317873396 /nfs/dbraw/zinc/87/33/96/1317873396.db2.gz NXJLAFVKZUMQIS-SFHVURJKSA-N 1 1 331.504 3.414 20 10 EGCDMO C[NH+](C)CCN(Cc1ccccn1)Cc1cc(Cl)cc(F)c1O ZINC000809741623 1317886454 /nfs/dbraw/zinc/88/64/54/1317886454.db2.gz ZVYHWUNXBWMSIQ-UHFFFAOYSA-N 1 1 337.826 3.144 20 10 EGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809750506 1317889405 /nfs/dbraw/zinc/88/94/05/1317889405.db2.gz YPLFEMLGWKIJHV-UHFFFAOYSA-N 1 1 341.839 3.262 20 10 EGCDMO CN(C)c1ccc(OC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000809999894 1317934926 /nfs/dbraw/zinc/93/49/26/1317934926.db2.gz BDHSNSGOICCRHA-NRFANRHFSA-N 1 1 340.467 3.423 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](C3OCCO3)C1)oc1ccccc12 ZINC000905694715 1317981299 /nfs/dbraw/zinc/98/12/99/1317981299.db2.gz HWFYQVBGWFTCAK-ZDUSSCGKSA-N 1 1 339.391 3.486 20 10 EGCDMO Cc1cc(O)c(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1C ZINC000812779246 1318452315 /nfs/dbraw/zinc/45/23/15/1318452315.db2.gz ZSGVGJBHKVEFDE-LJQANCHMSA-N 1 1 326.440 3.188 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](c3ccccc3)C1)[C@@H](O)CO2 ZINC000814224935 1318703144 /nfs/dbraw/zinc/70/31/44/1318703144.db2.gz CHQXAVOBDQWZEC-BEFAXECRSA-N 1 1 325.408 3.198 20 10 EGCDMO Cc1cc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC000815032275 1318871836 /nfs/dbraw/zinc/87/18/36/1318871836.db2.gz DKHACLIXKPVVQA-HXUWFJFHSA-N 1 1 337.467 3.124 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)ccc1N(C)C ZINC000815047541 1318874155 /nfs/dbraw/zinc/87/41/55/1318874155.db2.gz JSKOTJVDPQPRFX-SFHVURJKSA-N 1 1 345.531 3.435 20 10 EGCDMO CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815056050 1318876180 /nfs/dbraw/zinc/87/61/80/1318876180.db2.gz ZOFSMJVQPGQVIH-MOPGFXCFSA-N 1 1 331.504 3.282 20 10 EGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)[C@@H](CC)CN1C(C)=O ZINC000815056051 1318876675 /nfs/dbraw/zinc/87/66/75/1318876675.db2.gz ZOFSMJVQPGQVIH-OALUTQOASA-N 1 1 331.504 3.282 20 10 EGCDMO C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000815578280 1319018726 /nfs/dbraw/zinc/01/87/26/1319018726.db2.gz LJAOCCAJBWEWGG-RYUDHWBXSA-N 1 1 333.350 3.115 20 10 EGCDMO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(C(F)(F)F)c1O ZINC000815595632 1319024310 /nfs/dbraw/zinc/02/43/10/1319024310.db2.gz WYUGZKQLLHLTDW-NSHDSACASA-N 1 1 344.377 3.368 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](CO)C2CCCCC2)c1 ZINC000815648247 1319035654 /nfs/dbraw/zinc/03/56/54/1319035654.db2.gz HSFBXBZBBYZVTE-CJNGLKHVSA-N 1 1 335.444 3.018 20 10 EGCDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000816493065 1319165942 /nfs/dbraw/zinc/16/59/42/1319165942.db2.gz NYPHLTZNFULUNP-UHFFFAOYSA-N 1 1 342.842 3.264 20 10 EGCDMO Oc1c(C[NH+]2CCN(CC3CCOCC3)CC2)ccc2ccccc21 ZINC000816510575 1319169229 /nfs/dbraw/zinc/16/92/29/1319169229.db2.gz ZSYUEGUCTFHNQK-UHFFFAOYSA-N 1 1 340.467 3.090 20 10 EGCDMO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cc(Cl)c(F)cc2O)C[C@@H](C)O1 ZINC000816531534 1319176226 /nfs/dbraw/zinc/17/62/26/1319176226.db2.gz VIFKBJNYJABBEM-VXGBXAGGSA-N 1 1 344.858 3.162 20 10 EGCDMO CCNC(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816536655 1319177586 /nfs/dbraw/zinc/17/75/86/1319177586.db2.gz FXJKTFCNJXGCOG-UHFFFAOYSA-N 1 1 336.794 3.224 20 10 EGCDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000817412097 1319351680 /nfs/dbraw/zinc/35/16/80/1319351680.db2.gz CXPNOENUOYBJLX-FUHWJXTLSA-N 1 1 341.451 3.422 20 10 EGCDMO COc1cccc(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1O ZINC000817413360 1319353825 /nfs/dbraw/zinc/35/38/25/1319353825.db2.gz XAMSIQSOCWKWRO-HIFRSBDPSA-N 1 1 335.444 3.343 20 10 EGCDMO C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412573 1319353956 /nfs/dbraw/zinc/35/39/56/1319353956.db2.gz MUNHMCNTHUQXRX-RDJZCZTQSA-N 1 1 347.459 3.035 20 10 EGCDMO CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817939122 1319465847 /nfs/dbraw/zinc/46/58/47/1319465847.db2.gz ZIJNBXRPIDFDLG-JLTOFOAXSA-N 1 1 340.471 3.062 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938326 1319466196 /nfs/dbraw/zinc/46/61/96/1319466196.db2.gz JBWHYQHZZYUMDZ-RDTXWAMCSA-N 1 1 343.471 3.120 20 10 EGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1N(C)C ZINC000817940036 1319468123 /nfs/dbraw/zinc/46/81/23/1319468123.db2.gz DYLZPUIWQJIDOP-AUUYWEPGSA-N 1 1 344.478 3.308 20 10 EGCDMO COc1cccc2c1CCC[C@@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940803 1319468396 /nfs/dbraw/zinc/46/83/96/1319468396.db2.gz HUTFHCPPQMOEJU-UXHICEINSA-N 1 1 339.483 3.428 20 10 EGCDMO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957829 1319476921 /nfs/dbraw/zinc/47/69/21/1319476921.db2.gz FJOSSJJZXVYOQX-DNVCBOLYSA-N 1 1 349.494 3.221 20 10 EGCDMO C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817965875 1319479614 /nfs/dbraw/zinc/47/96/14/1319479614.db2.gz DTCAESFZLNPMTA-ABAIWWIYSA-N 1 1 327.266 3.195 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000917089663 1319754397 /nfs/dbraw/zinc/75/43/97/1319754397.db2.gz CGIHSCZBNCHJFO-ZDUSSCGKSA-N 1 1 329.271 3.401 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000822503650 1320090085 /nfs/dbraw/zinc/09/00/85/1320090085.db2.gz JXEMNCGMNPPSIP-IYBDPMFKSA-N 1 1 333.334 3.003 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3Oc4c(F)ccc(F)c4O[C@H]3C2)c1 ZINC000822503650 1320090090 /nfs/dbraw/zinc/09/00/90/1320090090.db2.gz JXEMNCGMNPPSIP-IYBDPMFKSA-N 1 1 333.334 3.003 20 10 EGCDMO Cc1cc(O)c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1Cl ZINC000824617095 1320270377 /nfs/dbraw/zinc/27/03/77/1320270377.db2.gz CCFBTBZDQNIGJN-KRWDZBQOSA-N 1 1 349.858 3.364 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)c1O ZINC000824721913 1320279740 /nfs/dbraw/zinc/27/97/40/1320279740.db2.gz KVHKCTWNETVSMP-RRFJBIMHSA-N 1 1 325.836 3.180 20 10 EGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2O)CC1(C)C ZINC000826062820 1320381167 /nfs/dbraw/zinc/38/11/67/1320381167.db2.gz XPSWFOFYXKMRJH-CQSZACIVSA-N 1 1 328.250 3.402 20 10 EGCDMO Cc1[nH+]ccn1CCCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918204 1320995675 /nfs/dbraw/zinc/99/56/75/1320995675.db2.gz KXGNAIKKCUZJCH-INIZCTEOSA-N 1 1 342.487 3.094 20 10 EGCDMO C[C@H](Cc1cccc(F)c1)[N@@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000840166330 1321042603 /nfs/dbraw/zinc/04/26/03/1321042603.db2.gz IGGXEEZMPSIZEV-XIKOKIGWSA-N 1 1 331.387 3.020 20 10 EGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000840747279 1321140015 /nfs/dbraw/zinc/14/00/15/1321140015.db2.gz YGLFJJNSUPPQIS-NEPJUHHUSA-N 1 1 333.457 3.408 20 10 EGCDMO C[C@@H]([NH2+]Cc1cc(F)c(N2CCOCC2)c(F)c1)c1nccs1 ZINC000840757866 1321142488 /nfs/dbraw/zinc/14/24/88/1321142488.db2.gz CXGFDBKLFZWXGY-LLVKDONJSA-N 1 1 339.411 3.109 20 10 EGCDMO Cc1ncc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)o1 ZINC000840798599 1321150499 /nfs/dbraw/zinc/15/04/99/1321150499.db2.gz WVHSFNZWRLCPKH-GFCCVEGCSA-N 1 1 335.835 3.324 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000840910537 1321175190 /nfs/dbraw/zinc/17/51/90/1321175190.db2.gz IQLBLZRLOPETBS-HXUWFJFHSA-N 1 1 337.467 3.124 20 10 EGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2C)C1 ZINC000840912649 1321176720 /nfs/dbraw/zinc/17/67/20/1321176720.db2.gz LYDNQYICSJNQDP-KRWDZBQOSA-N 1 1 331.504 3.189 20 10 EGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000841044118 1321208126 /nfs/dbraw/zinc/20/81/26/1321208126.db2.gz TVFUPMCFYKCFFS-INIZCTEOSA-N 1 1 335.398 3.144 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCCSCc2ccccc2)cc1 ZINC000841043267 1321208591 /nfs/dbraw/zinc/20/85/91/1321208591.db2.gz QBNRUTSLYCCCRF-LJQANCHMSA-N 1 1 329.513 3.275 20 10 EGCDMO CN(C)c1ccc(CN[C@@H]2CC[NH2+]CC2(C)C)c(C(F)(F)F)c1 ZINC000841072089 1321213915 /nfs/dbraw/zinc/21/39/15/1321213915.db2.gz GBIQGILLWLHKLP-OAHLLOKOSA-N 1 1 329.410 3.249 20 10 EGCDMO C[C@@H](CCCC[NH3+])NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841997988 1321334298 /nfs/dbraw/zinc/33/42/98/1321334298.db2.gz UDFAXGPNJYGIIR-VIFPVBQESA-N 1 1 334.247 3.016 20 10 EGCDMO O=C(NCCC[C@@H]1CCC[NH2+]1)NCc1cc(Cl)cc(Cl)c1O ZINC000842006867 1321334703 /nfs/dbraw/zinc/33/47/03/1321334703.db2.gz WBUAPTZAYQRKLI-LBPRGKRZSA-N 1 1 346.258 3.030 20 10 EGCDMO [O-]c1c(F)cc(Cl)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125921 1321474042 /nfs/dbraw/zinc/47/40/42/1321474042.db2.gz CLNAMJLPXAQSEC-STQMWFEESA-N 1 1 326.843 3.396 20 10 EGCDMO CC(C)Cn1nccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843390967 1321510626 /nfs/dbraw/zinc/51/06/26/1321510626.db2.gz LJKDQDYDUPPADT-LJQANCHMSA-N 1 1 343.471 3.426 20 10 EGCDMO CC(C)Cn1nccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843390967 1321510631 /nfs/dbraw/zinc/51/06/31/1321510631.db2.gz LJKDQDYDUPPADT-LJQANCHMSA-N 1 1 343.471 3.426 20 10 EGCDMO C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CCOCC2 ZINC000843432298 1321518407 /nfs/dbraw/zinc/51/84/07/1321518407.db2.gz VKFLVPVQRGXWEK-MRXNPFEDSA-N 1 1 348.462 3.053 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000845900550 1321751919 /nfs/dbraw/zinc/75/19/19/1321751919.db2.gz AJTOUYQZWRAVFW-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO CN(C)c1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000846783754 1321808346 /nfs/dbraw/zinc/80/83/46/1321808346.db2.gz CNVHAWRFKWWTEG-GOSISDBHSA-N 1 1 345.874 3.325 20 10 EGCDMO CCc1cccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000848885333 1322028900 /nfs/dbraw/zinc/02/89/00/1322028900.db2.gz TTYLNBMLNSFTQQ-OAHLLOKOSA-N 1 1 332.488 3.329 20 10 EGCDMO COc1cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000850034600 1322186874 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CC(C)C[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC000948075453 1333367235 /nfs/dbraw/zinc/36/72/35/1333367235.db2.gz YWDWNNPYQTUCND-CJNGLKHVSA-N 1 1 345.447 3.088 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2[O-])CC[C@@H]1C[NH3+] ZINC001205638963 1370822644 /nfs/dbraw/zinc/82/26/44/1370822644.db2.gz TYJGZKUINQLCBQ-WDEREUQCSA-N 1 1 345.256 3.101 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC[C@@H]1C[NH3+] ZINC001205638300 1370823745 /nfs/dbraw/zinc/82/37/45/1370823745.db2.gz MBMVVIJJOUQTRQ-GHMZBOCLSA-N 1 1 345.256 3.101 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)CC2)c1 ZINC001205651412 1370829036 /nfs/dbraw/zinc/82/90/36/1370829036.db2.gz DXYPFTFSDMVPPM-STQMWFEESA-N 1 1 341.293 3.270 20 10 EGCDMO CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001034054600 1342195542 /nfs/dbraw/zinc/19/55/42/1342195542.db2.gz ZPPDLLFRVHFYNF-MRXNPFEDSA-N 1 1 345.447 3.041 20 10 EGCDMO CCC[N@H+](CC(=O)OCC)Cc1cc(Br)cc(C)c1O ZINC001233110176 1376570132 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Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203651442 1370201628 /nfs/dbraw/zinc/20/16/28/1370201628.db2.gz OMNXZFIWFUGSLE-STQMWFEESA-N 1 1 341.732 3.273 20 10 EGCDMO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665462 1370208699 /nfs/dbraw/zinc/20/86/99/1370208699.db2.gz LHLIZYBLQZBPCO-OAHLLOKOSA-N 1 1 348.830 3.493 20 10 EGCDMO COC[C@H](C)[N@@H+](Cc1cccc(OC)c1)Cc1ccc(O)c(O)c1 ZINC001203879188 1370297276 /nfs/dbraw/zinc/29/72/76/1370297276.db2.gz GWYFRLDYHDFUPA-AWEZNQCLSA-N 1 1 331.412 3.144 20 10 EGCDMO CC(C)[N@H+]1CCOC[C@]2(CCCN(Cc3ccc(N(C)C)cc3)C2)C1 ZINC001203930737 1370319404 /nfs/dbraw/zinc/31/94/04/1370319404.db2.gz GXBQQSORCQAXLQ-NRFANRHFSA-N 1 1 345.531 3.075 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC(=O)N3CCC[C@@H]3C2)c2ccccc21 ZINC001204240906 1370418541 /nfs/dbraw/zinc/41/85/41/1370418541.db2.gz KFLROSYLCUJKNX-QGZVFWFLSA-N 1 1 337.467 3.103 20 10 EGCDMO COC(=O)[C@H]1C[N@@H+](Cc2ccc(N(C)C)c3ccccc23)CC12CC2 ZINC001204240933 1370418690 /nfs/dbraw/zinc/41/86/90/1370418690.db2.gz MBMLWCOXLXETEM-GOSISDBHSA-N 1 1 338.451 3.291 20 10 EGCDMO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1O ZINC001204273099 1370428347 /nfs/dbraw/zinc/42/83/47/1370428347.db2.gz YJAJOGZMXFZDBW-SFHVURJKSA-N 1 1 341.407 3.196 20 10 EGCDMO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204273099 1370428349 /nfs/dbraw/zinc/42/83/49/1370428349.db2.gz YJAJOGZMXFZDBW-SFHVURJKSA-N 1 1 341.407 3.196 20 10 EGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278640 1370430305 /nfs/dbraw/zinc/43/03/05/1370430305.db2.gz GREYOJQPOGSUDQ-UHFFFAOYSA-N 1 1 338.407 3.156 20 10 EGCDMO COc1ccc2c(c1)c1c(n2C)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278640 1370430308 /nfs/dbraw/zinc/43/03/08/1370430308.db2.gz GREYOJQPOGSUDQ-UHFFFAOYSA-N 1 1 338.407 3.156 20 10 EGCDMO Oc1ccc(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c(O)c1 ZINC001204278078 1370430551 /nfs/dbraw/zinc/43/05/51/1370430551.db2.gz SDGSJTZHJMRLKM-UHFFFAOYSA-N 1 1 338.451 3.196 20 10 EGCDMO O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)C[C@H]12 ZINC001204324776 1370444719 /nfs/dbraw/zinc/44/47/19/1370444719.db2.gz OJUSPNPUMFGJJZ-UXHICEINSA-N 1 1 347.462 3.455 20 10 EGCDMO CCO[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)[C@@H]2CCCO[C@H]12 ZINC001204327767 1370445489 /nfs/dbraw/zinc/44/54/89/1370445489.db2.gz HSSPFKXZUWNDRF-AQNXPRMDSA-N 1 1 330.472 3.055 20 10 EGCDMO CC(C)(C)CC(=O)N1CC[NH+](Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204328291 1370445675 /nfs/dbraw/zinc/44/56/75/1370445675.db2.gz GFAVJZOSZDBFLI-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO COc1cc(C[NH+]2CCC(Oc3cccc(C)c3)CC2)cc(O)c1O ZINC001204345068 1370449706 /nfs/dbraw/zinc/44/97/06/1370449706.db2.gz GPIMGOIAAYXAKS-UHFFFAOYSA-N 1 1 343.423 3.458 20 10 EGCDMO C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205652499 1370828559 /nfs/dbraw/zinc/82/85/59/1370828559.db2.gz PTESOWDXLXBWMJ-QWHCGFSZSA-N 1 1 346.393 3.140 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@@H]1C[NH3+] ZINC001205652499 1370828563 /nfs/dbraw/zinc/82/85/63/1370828563.db2.gz PTESOWDXLXBWMJ-QWHCGFSZSA-N 1 1 346.393 3.140 20 10 EGCDMO C[C@H]1CC[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC001205651450 1370829414 /nfs/dbraw/zinc/82/94/14/1370829414.db2.gz FIBRTIBWTWJOPQ-GJZGRUSLSA-N 1 1 330.472 3.383 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CC[C@H]1C[NH3+] ZINC001205651450 1370829415 /nfs/dbraw/zinc/82/94/15/1370829415.db2.gz FIBRTIBWTWJOPQ-GJZGRUSLSA-N 1 1 330.472 3.383 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)cc(Br)c2[O-])CCC[C@H]1C[NH3+] ZINC001206021736 1370940602 /nfs/dbraw/zinc/94/06/02/1370940602.db2.gz AVDSFXQEKXRPKU-MNOVXSKESA-N 1 1 345.256 3.101 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024326 1370941423 /nfs/dbraw/zinc/94/14/23/1370941423.db2.gz INLQEEMWODFZPG-GOEBONIOSA-N 1 1 328.456 3.361 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024326 1370941425 /nfs/dbraw/zinc/94/14/25/1370941425.db2.gz INLQEEMWODFZPG-GOEBONIOSA-N 1 1 328.456 3.361 20 10 EGCDMO COc1ccc2ccc([O-])c(C[N@H+]3CCC[C@H](C[NH3+])[C@@H](C)C3)c2c1 ZINC001206024326 1370941428 /nfs/dbraw/zinc/94/14/28/1370941428.db2.gz INLQEEMWODFZPG-GOEBONIOSA-N 1 1 328.456 3.361 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@](N)(C(F)(F)F)C2)c(OC)c1 ZINC001206229694 1370997745 /nfs/dbraw/zinc/99/77/45/1370997745.db2.gz ORTCVXPQGMGPEQ-MRXNPFEDSA-N 1 1 345.409 3.007 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](N)(C(F)(F)F)C2)c(OC)c1 ZINC001206229694 1370997746 /nfs/dbraw/zinc/99/77/46/1370997746.db2.gz ORTCVXPQGMGPEQ-MRXNPFEDSA-N 1 1 345.409 3.007 20 10 EGCDMO CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CCc3cccc(O)c3C2)C1 ZINC001207247391 1371342124 /nfs/dbraw/zinc/34/21/24/1371342124.db2.gz KICIZVBMVOLBPN-HNNXBMFYSA-N 1 1 346.471 3.397 20 10 EGCDMO CN(Cc1ccc(N2CCOCC2)cc1)CC1(C[NH+](C)C)CCCC1 ZINC001208190975 1371630184 /nfs/dbraw/zinc/63/01/84/1371630184.db2.gz ILEDWGCIZSZWSG-UHFFFAOYSA-N 1 1 345.531 3.077 20 10 EGCDMO CN(C)CC1(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001208190975 1371630187 /nfs/dbraw/zinc/63/01/87/1371630187.db2.gz ILEDWGCIZSZWSG-UHFFFAOYSA-N 1 1 345.531 3.077 20 10 EGCDMO CN(C)CC1(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC001208190975 1371630191 /nfs/dbraw/zinc/63/01/91/1371630191.db2.gz ILEDWGCIZSZWSG-UHFFFAOYSA-N 1 1 345.531 3.077 20 10 EGCDMO COC(=O)N1CCC[N@@H+](Cc2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC001209516865 1372127202 /nfs/dbraw/zinc/12/72/02/1372127202.db2.gz RBGCNXXSULROND-UHFFFAOYSA-N 1 1 341.455 3.368 20 10 EGCDMO COc1ccc(C[NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)c(O)c1 ZINC001217718077 1373494653 /nfs/dbraw/zinc/49/46/53/1373494653.db2.gz JCVGLWHGLNAZDQ-UHFFFAOYSA-N 1 1 345.786 3.394 20 10 EGCDMO C[N@@H+](Cc1cc(C(=O)[O-])ccc1O)C1CC[NH+](C2CCCCC2)CC1 ZINC001231569386 1376266386 /nfs/dbraw/zinc/26/63/86/1376266386.db2.gz XMXHAEPGPSKNQX-UHFFFAOYSA-N 1 1 346.471 3.319 20 10 EGCDMO CCOC[C@@H]1C[N@H+](Cc2cccc(C)c2O)Cc2nn(CC)cc21 ZINC001231592536 1376273518 /nfs/dbraw/zinc/27/35/18/1376273518.db2.gz NLPBSMVPVOIUIY-INIZCTEOSA-N 1 1 329.444 3.053 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2cccc(C)c2O)Cc2nn(CC)cc21 ZINC001231592536 1376273526 /nfs/dbraw/zinc/27/35/26/1376273526.db2.gz NLPBSMVPVOIUIY-INIZCTEOSA-N 1 1 329.444 3.053 20 10 EGCDMO Cc1cc(C)c(C[N@H+]2C[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)c(O)c1 ZINC001231845379 1376325644 /nfs/dbraw/zinc/32/56/44/1376325644.db2.gz XVYQXZDKOMXJLT-DOTOQJQBSA-N 1 1 346.471 3.450 20 10 EGCDMO Cc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCN3C(=O)C(C)C)C2)c(O)c1 ZINC001231844902 1376326020 /nfs/dbraw/zinc/32/60/20/1376326020.db2.gz QLLIRVJYBFTQCJ-WMZOPIPTSA-N 1 1 330.472 3.088 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@](O)(C(F)(F)F)[C@H](C)C2)cc1Cl ZINC001231867100 1376328837 /nfs/dbraw/zinc/32/88/37/1376328837.db2.gz HQFGAJYSGHRWQZ-QMTHXVAHSA-N 1 1 337.769 3.489 20 10 EGCDMO CCN1CC[C@@]2(C[N@@H+](Cc3cc(Cl)c(C)cc3O)C[C@@H]2C)C1=O ZINC001231868880 1376332086 /nfs/dbraw/zinc/33/20/86/1376332086.db2.gz YPCGQARDUQRYBM-UGSOOPFHSA-N 1 1 336.863 3.044 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2cc(Cl)c(O)cc2O)cc1OC ZINC001232262066 1376426592 /nfs/dbraw/zinc/42/65/92/1376426592.db2.gz YXZSDDVOYASJJD-UHFFFAOYSA-N 1 1 337.803 3.400 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccccn3)C2)cc1Cl ZINC001232269329 1376427634 /nfs/dbraw/zinc/42/76/34/1376427634.db2.gz VXZAAQWDLUYAPV-ZDUSSCGKSA-N 1 1 334.803 3.103 20 10 EGCDMO C[C@@]1(O)CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233194050 1376582851 /nfs/dbraw/zinc/58/28/51/1376582851.db2.gz KEFQUNNZSZPDBS-MRXNPFEDSA-N 1 1 336.229 3.265 20 10 EGCDMO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336504 1376621551 /nfs/dbraw/zinc/62/15/51/1376621551.db2.gz OBPBOPQEXDZXRP-CYBMUJFWSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)n1 ZINC001233336504 1376621559 /nfs/dbraw/zinc/62/15/59/1376621559.db2.gz OBPBOPQEXDZXRP-CYBMUJFWSA-N 1 1 334.366 3.417 20 10 EGCDMO Oc1cc(O)c(C[N@H+]2CC[C@H](Sc3ccc(F)cc3)C2)cc1O ZINC001233486953 1376653194 /nfs/dbraw/zinc/65/31/94/1376653194.db2.gz JIRYNIDTYSVXGV-AWEZNQCLSA-N 1 1 335.400 3.309 20 10 EGCDMO Oc1c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)cccc1OC(F)(F)F ZINC001233736042 1376706161 /nfs/dbraw/zinc/70/61/61/1376706161.db2.gz BSOAQPJQQMHABU-SMDDNHRTSA-N 1 1 331.334 3.292 20 10 EGCDMO COC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc(OC(F)(F)F)c2O)C1 ZINC001233768317 1376712037 /nfs/dbraw/zinc/71/20/37/1376712037.db2.gz PAKZYPJOOPRVIH-NSHDSACASA-N 1 1 347.333 3.066 20 10 EGCDMO Oc1c(Br)cc(Cl)cc1CN1CCC[C@]12CC[NH2+]C2 ZINC001235111085 1376845364 /nfs/dbraw/zinc/84/53/64/1376845364.db2.gz ONRBBKCCVQEQHL-CQSZACIVSA-N 1 1 345.668 3.136 20 10 EGCDMO Oc1cc(OCC(F)(F)F)ccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237053467 1376971609 /nfs/dbraw/zinc/97/16/09/1376971609.db2.gz MKHLXTGDUPKVMB-LRDDRELGSA-N 1 1 345.361 3.334 20 10 EGCDMO C[N@@H+](Cc1ccncc1)Cc1ccc(OCC(F)(F)F)cc1O ZINC001237054034 1376972299 /nfs/dbraw/zinc/97/22/99/1376972299.db2.gz TVLNYRSGQDLOFQ-UHFFFAOYSA-N 1 1 326.318 3.360 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@@H](c3ccccc3OC)C2)c(O)c(OC)c1 ZINC001237675036 1376982569 /nfs/dbraw/zinc/98/25/69/1376982569.db2.gz QWJZFGZGYFPBSQ-CQSZACIVSA-N 1 1 343.423 3.408 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3cnc(OC)c(C)c3)CC2)cc1 ZINC001137009766 1377457038 /nfs/dbraw/zinc/45/70/38/1377457038.db2.gz OYUUFFZXIXVJMG-UHFFFAOYSA-N 1 1 341.455 3.120 20 10 EGCDMO Oc1cccc(F)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001137837547 1377627157 /nfs/dbraw/zinc/62/71/57/1377627157.db2.gz LHTLJAXKWGTCTL-VQIMIIECSA-N 1 1 326.415 3.238 20 10 EGCDMO Oc1cccc(F)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001137837544 1377627218 /nfs/dbraw/zinc/62/72/18/1377627218.db2.gz LHTLJAXKWGTCTL-APWZRJJASA-N 1 1 326.415 3.238 20 10 EGCDMO CC(=O)N1CCC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137854460 1377631790 /nfs/dbraw/zinc/63/17/90/1377631790.db2.gz XTODYDCRVAFNRT-UHFFFAOYSA-N 1 1 325.456 3.148 20 10 EGCDMO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(F)c2O)[C@H]1c1ccccc1 ZINC001138123736 1377680666 /nfs/dbraw/zinc/68/06/66/1377680666.db2.gz JJBXQYKKVRIFGD-WBVHZDCISA-N 1 1 329.371 3.268 20 10 EGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)[C@H]1c1ccccc1 ZINC001138123736 1377680667 /nfs/dbraw/zinc/68/06/67/1377680667.db2.gz JJBXQYKKVRIFGD-WBVHZDCISA-N 1 1 329.371 3.268 20 10 EGCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682884 /nfs/dbraw/zinc/68/28/84/1377682884.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 1 1 340.442 3.485 20 10 EGCDMO [O-]c1c(F)cccc1C[NH+]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682886 /nfs/dbraw/zinc/68/28/86/1377682886.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 1 1 340.442 3.485 20 10 EGCDMO [O-]c1c(F)cccc1C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001138129446 1377682889 /nfs/dbraw/zinc/68/28/89/1377682889.db2.gz DGXJGYUPTYFSRL-MJGOQNOKSA-N 1 1 340.442 3.485 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@](O)(CF)CC2)c(OC)c1 ZINC001138386412 1377714093 /nfs/dbraw/zinc/71/40/93/1377714093.db2.gz MJTZITXCWJUEGT-LJQANCHMSA-N 1 1 338.467 3.228 20 10 EGCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C(C)C)[C@@H](C)C2)c(OC)c1 ZINC001138392084 1377714372 /nfs/dbraw/zinc/71/43/72/1377714372.db2.gz PDNBOTNOUWMESK-KRWDZBQOSA-N 1 1 333.520 3.456 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C)C[C@H](C(=O)OC)C2)c(OC)c1 ZINC001138390193 1377714642 /nfs/dbraw/zinc/71/46/42/1377714642.db2.gz OXAFSVZDWCHEKN-WBVHZDCISA-N 1 1 348.487 3.172 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)c(OC)c1 ZINC001138391929 1377714755 /nfs/dbraw/zinc/71/47/55/1377714755.db2.gz JOOPBGQXXCPYLU-QAPCUYQASA-N 1 1 330.472 3.342 20 10 EGCDMO Cc1cccnc1O[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139674631 1377932193 /nfs/dbraw/zinc/93/21/93/1377932193.db2.gz YQPOCOGCSBWWID-SFHVURJKSA-N 1 1 325.456 3.418 20 10 EGCDMO CC(C)[N@@H+](C)[C@H]1CCN(Cc2c(O)cccc2Br)C1 ZINC001140103497 1378008806 /nfs/dbraw/zinc/00/88/06/1378008806.db2.gz MCTFGCIYJJTFKM-LBPRGKRZSA-N 1 1 327.266 3.069 20 10 EGCDMO CN1CC[N@H+](Cc2c(O)cccc2Br)Cc2cccnc21 ZINC001140101320 1378007567 /nfs/dbraw/zinc/00/75/67/1378007567.db2.gz OGNJCPHEVPBPLF-UHFFFAOYSA-N 1 1 348.244 3.002 20 10 EGCDMO CN1CC[N@@H+](Cc2c(O)cccc2Br)Cc2cccnc21 ZINC001140101320 1378007569 /nfs/dbraw/zinc/00/75/69/1378007569.db2.gz OGNJCPHEVPBPLF-UHFFFAOYSA-N 1 1 348.244 3.002 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@H]1c1cnccn1 ZINC001140100788 1378007823 /nfs/dbraw/zinc/00/78/23/1378007823.db2.gz BRIXOPRWBIHJQE-CQSZACIVSA-N 1 1 334.217 3.282 20 10 EGCDMO Cc1ccc(C)c(CN2CC[NH+](CCc3cccs3)CC2)c1O ZINC001140179034 1378026332 /nfs/dbraw/zinc/02/63/32/1378026332.db2.gz FNJOCKNWVHIDBE-UHFFFAOYSA-N 1 1 330.497 3.431 20 10 EGCDMO CC[N@H+]([C@@H]1CCOC1)C1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140182499 1378026931 /nfs/dbraw/zinc/02/69/31/1378026931.db2.gz SRNDXVXMTYPRRO-GOSISDBHSA-N 1 1 332.488 3.084 20 10 EGCDMO CC[N@@H+]([C@@H]1CCOC1)C1CCN(Cc2c(C)ccc(C)c2O)CC1 ZINC001140182499 1378026933 /nfs/dbraw/zinc/02/69/33/1378026933.db2.gz SRNDXVXMTYPRRO-GOSISDBHSA-N 1 1 332.488 3.084 20 10 EGCDMO Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3c(C)ccc(C)c3O)O2)n1 ZINC001140181214 1378027180 /nfs/dbraw/zinc/02/71/80/1378027180.db2.gz QJACSDWFQZXSLK-BRWVUGGUSA-N 1 1 343.427 3.195 20 10 EGCDMO COC(=O)c1ccc2c(c1)CC[N@H+](Cc1c(O)cccc1Cl)C2 ZINC001140338103 1378048342 /nfs/dbraw/zinc/04/83/42/1378048342.db2.gz VIKOEOVFCDWCJC-UHFFFAOYSA-N 1 1 331.799 3.391 20 10 EGCDMO Oc1cccc(C[N@H+]2CCc3cccc(O)c3C2)c1Br ZINC001140553105 1378084554 /nfs/dbraw/zinc/08/45/54/1378084554.db2.gz UXLRCCNJNRQRAZ-UHFFFAOYSA-N 1 1 334.213 3.419 20 10 EGCDMO CCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(O)cccc1F ZINC001273265963 1378093338 /nfs/dbraw/zinc/09/33/38/1378093338.db2.gz OIWAQCPLQZSUBV-LJQANCHMSA-N 1 1 334.435 3.288 20 10 EGCDMO CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c(O)cccc1F ZINC001273265963 1378093342 /nfs/dbraw/zinc/09/33/42/1378093342.db2.gz OIWAQCPLQZSUBV-LJQANCHMSA-N 1 1 334.435 3.288 20 10 EGCDMO COc1ccc(CC[N@H+](Cc2cc(C)ccc2O)C[C@H](C)O)cc1 ZINC001140617462 1378098610 /nfs/dbraw/zinc/09/86/10/1378098610.db2.gz PLPBOPRBEOJYJP-INIZCTEOSA-N 1 1 329.440 3.135 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](N3Cc4ccccc4C3=O)C2)c1 ZINC001140624498 1378100299 /nfs/dbraw/zinc/10/02/99/1378100299.db2.gz YMHCVDXTFVEYFS-GOSISDBHSA-N 1 1 336.435 3.321 20 10 EGCDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(N2CCOCC2)cc1F ZINC001140664341 1378110182 /nfs/dbraw/zinc/11/01/82/1378110182.db2.gz FUTWQGBVTNYQCF-UHFFFAOYSA-N 1 1 346.421 3.476 20 10 EGCDMO Cc1c(O)ccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC001140747363 1378128952 /nfs/dbraw/zinc/12/89/52/1378128952.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 1 1 340.467 3.360 20 10 EGCDMO Cc1c(O)ccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC001140747363 1378128954 /nfs/dbraw/zinc/12/89/54/1378128954.db2.gz AIZQORQBLTUDEV-SFHVURJKSA-N 1 1 340.467 3.360 20 10 EGCDMO CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(N(CC)CC)cc1O ZINC001140855246 1378158610 /nfs/dbraw/zinc/15/86/10/1378158610.db2.gz UDHIQEQZJNAXMJ-GOSISDBHSA-N 1 1 347.503 3.119 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c(O)c1 ZINC001140855422 1378158633 /nfs/dbraw/zinc/15/86/33/1378158633.db2.gz YKWVTGMEIPHDPQ-IBGZPJMESA-N 1 1 341.455 3.287 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3c(N)cccc3F)CC2)c(C)c1 ZINC001140876472 1378166150 /nfs/dbraw/zinc/16/61/50/1378166150.db2.gz DYPZRBNRMKREMQ-UHFFFAOYSA-N 1 1 329.419 3.047 20 10 EGCDMO CN(C)c1ccc(C[NH+]2CCC(O)(C(F)(F)F)CC2)c(Cl)c1 ZINC001140922311 1378181998 /nfs/dbraw/zinc/18/19/98/1378181998.db2.gz NPPBTRFZZQBZES-UHFFFAOYSA-N 1 1 336.785 3.295 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c(Cl)c1 ZINC001140924963 1378181712 /nfs/dbraw/zinc/18/17/12/1378181712.db2.gz XTWBANCYIOBLIU-GOSISDBHSA-N 1 1 335.879 3.041 20 10 EGCDMO Cc1ccnc(O[C@H]2CC[N@H+](Cc3ccc(N(C)C)cc3Cl)C2)n1 ZINC001140926568 1378183085 /nfs/dbraw/zinc/18/30/85/1378183085.db2.gz OGOUFEYLTGEBGO-INIZCTEOSA-N 1 1 346.862 3.158 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(Cl)c1 ZINC001140925666 1378183413 /nfs/dbraw/zinc/18/34/13/1378183413.db2.gz UNMXSFYEDQHQIH-OAHLLOKOSA-N 1 1 330.806 3.406 20 10 EGCDMO Cc1ccc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)c(O)c1 ZINC001140952426 1378191317 /nfs/dbraw/zinc/19/13/17/1378191317.db2.gz RMWIYMGJNFNZNS-AZUAARDMSA-N 1 1 331.456 3.251 20 10 EGCDMO C[N@@H+](Cc1cc2c3c(c1)CCCN3CCC2)[C@@H]1CCC2(C1)OCCO2 ZINC001141077960 1378233868 /nfs/dbraw/zinc/23/38/68/1378233868.db2.gz GNGYPFGYLKSWDS-LJQANCHMSA-N 1 1 342.483 3.113 20 10 EGCDMO c1cc([C@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)CCO2)ccn1 ZINC001141078395 1378234027 /nfs/dbraw/zinc/23/40/27/1378234027.db2.gz VRKHNLOCUXPSNE-OAQYLSRUSA-N 1 1 349.478 3.354 20 10 EGCDMO c1cc([C@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CCO2)ccn1 ZINC001141078395 1378234031 /nfs/dbraw/zinc/23/40/31/1378234031.db2.gz VRKHNLOCUXPSNE-OAQYLSRUSA-N 1 1 349.478 3.354 20 10 EGCDMO CN1CCOc2cc(C[N@@H+](C)Cc3ccc(-n4ccnc4)cc3)ccc21 ZINC001141144521 1378248141 /nfs/dbraw/zinc/24/81/41/1378248141.db2.gz GBRISQLZTCUQQN-UHFFFAOYSA-N 1 1 348.450 3.333 20 10 EGCDMO CCCc1noc([C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527234 1378453506 /nfs/dbraw/zinc/45/35/06/1378453506.db2.gz PERMJVGVNYBKLV-LLVKDONJSA-N 1 1 337.370 3.386 20 10 EGCDMO CCCc1noc([C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527234 1378453509 /nfs/dbraw/zinc/45/35/09/1378453509.db2.gz PERMJVGVNYBKLV-LLVKDONJSA-N 1 1 337.370 3.386 20 10 EGCDMO Cc1cccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142531507 1378454145 /nfs/dbraw/zinc/45/41/45/1378454145.db2.gz ZTVZKOWAYBKPIA-CQSZACIVSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1cccc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142531507 1378454148 /nfs/dbraw/zinc/45/41/48/1378454148.db2.gz ZTVZKOWAYBKPIA-CQSZACIVSA-N 1 1 334.366 3.417 20 10 EGCDMO CCOC(=O)C1(CC)CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142530319 1378454575 /nfs/dbraw/zinc/45/45/75/1378454575.db2.gz CZMKARORMZAEEO-UHFFFAOYSA-N 1 1 327.371 3.226 20 10 EGCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)Cc2cccnc2)c(O)c1 ZINC001144509134 1378738874 /nfs/dbraw/zinc/73/88/74/1378738874.db2.gz LXDRTOWRELNXLV-UHFFFAOYSA-N 1 1 336.391 3.401 20 10 EGCDMO COc1cc2[nH+]c(NCc3ccc(O)c(O)c3)ccc2c(OC)c1 ZINC001159005840 1381508829 /nfs/dbraw/zinc/50/88/29/1381508829.db2.gz SFPWZJSIKXWEIC-UHFFFAOYSA-N 1 1 326.352 3.275 20 10 EGCDMO CCOC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccc(N(C)C)cc2)CC1 ZINC001169712186 1384176629 /nfs/dbraw/zinc/17/66/29/1384176629.db2.gz YAWKTDSEFHXEBZ-GOSISDBHSA-N 1 1 333.476 3.195 20 10 EGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178701538 1386283029 /nfs/dbraw/zinc/28/30/29/1386283029.db2.gz MPMCYGWQOADTNG-CRAIPNDOSA-N 1 1 330.472 3.233 20 10 EGCDMO O=C(NCc1ccccc1O)C12CC(C1)CC[N@H+]2Cc1ccccc1 ZINC001181491363 1387003873 /nfs/dbraw/zinc/00/38/73/1387003873.db2.gz BZJMAZBXIJTAIE-UHFFFAOYSA-N 1 1 336.435 3.063 20 10 EGCDMO Cc1nnc(C[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)n1C ZINC001322632269 1387216701 /nfs/dbraw/zinc/21/67/01/1387216701.db2.gz GLKBLBOFXOLAMA-HNNXBMFYSA-N 1 1 327.476 3.355 20 10 EGCDMO CS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC001337042458 1389243345 /nfs/dbraw/zinc/24/33/45/1389243345.db2.gz NLBHXNFUCNBJDX-JKSUJKDBSA-N 1 1 338.492 3.378 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccccc2N(C)C)c(O)c1OC ZINC001335533530 1390700424 /nfs/dbraw/zinc/70/04/24/1390700424.db2.gz LFIHRBUFMWTNDO-UHFFFAOYSA-N 1 1 330.428 3.107 20 10 EGCDMO C[NH+](C)[C@@H]1CCCC[C@H]1NCc1c(O)cccc1Br ZINC001348085736 1391170944 /nfs/dbraw/zinc/17/09/44/1391170944.db2.gz KDBFJSOMLYZGHX-ZIAGYGMSSA-N 1 1 327.266 3.117 20 10 EGCDMO CCC[N@@H+](Cc1ccc(Br)cc1O)[C@@H]1CCN(C)C1 ZINC001350625480 1391493700 /nfs/dbraw/zinc/49/37/00/1391493700.db2.gz CGGQRVHJEINQTO-CQSZACIVSA-N 1 1 327.266 3.071 20 10 EGCDMO CC(=O)Nc1cccc2c1CC[N@@H+](Cc1c(O)ccc3ccncc31)C2 ZINC000054572032 214245378 /nfs/dbraw/zinc/24/53/78/214245378.db2.gz BEMXYDHGMBQUDZ-UHFFFAOYSA-N 1 1 347.418 3.457 20 10 EGCDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000013068514 453442410 /nfs/dbraw/zinc/44/24/10/453442410.db2.gz LRCZTZOZFUCTRD-IBGZPJMESA-N 1 1 325.456 3.308 20 10 EGCDMO C[NH+]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000022795566 453698977 /nfs/dbraw/zinc/69/89/77/453698977.db2.gz XVDDOMDCHFANAN-QURGRASLSA-N 1 1 337.427 3.288 20 10 EGCDMO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2cccs2)C2CC2)cc1 ZINC000027108566 453810678 /nfs/dbraw/zinc/81/06/78/453810678.db2.gz ZMEXQUQGYDBTOX-UHFFFAOYSA-N 1 1 343.496 3.095 20 10 EGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2cccs2)C2CC2)cc1 ZINC000027108566 453810680 /nfs/dbraw/zinc/81/06/80/453810680.db2.gz ZMEXQUQGYDBTOX-UHFFFAOYSA-N 1 1 343.496 3.095 20 10 EGCDMO C[C@@H](c1ccccc1)[N@@H+](CCCS(C)(=O)=O)Cc1ccccc1O ZINC000119282283 454183120 /nfs/dbraw/zinc/18/31/20/454183120.db2.gz QPLIVICXKYFJPB-INIZCTEOSA-N 1 1 347.480 3.390 20 10 EGCDMO Oc1ccccc1C[N@@H+](Cc1cn2ccccc2n1)C[C@H]1CCCO1 ZINC000070976676 454191304 /nfs/dbraw/zinc/19/13/04/454191304.db2.gz XEIXIGIBHBEETD-GOSISDBHSA-N 1 1 337.423 3.221 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cn2ccccc2n1)C[C@H]1CCCO1 ZINC000070976676 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COc1c([O-])c(C[N@@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000278218930 455790026 /nfs/dbraw/zinc/79/00/26/455790026.db2.gz LDZRTFCXYJWIIV-UHFFFAOYSA-N 1 1 332.331 3.006 20 10 EGCDMO COc1c([O-])c(C[N@H+]2CCc3c(F)cccc3C2)ccc1[N+](=O)[O-] ZINC000278218930 455790031 /nfs/dbraw/zinc/79/00/31/455790031.db2.gz LDZRTFCXYJWIIV-UHFFFAOYSA-N 1 1 332.331 3.006 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C[C@H]1CCCO1 ZINC000252442979 455804379 /nfs/dbraw/zinc/80/43/79/455804379.db2.gz KPSRRIBWILTMJS-UYAOXDASSA-N 1 1 327.424 3.107 20 10 EGCDMO COC[C@@H]([NH2+]Cc1ccc(N2CCC(OC)CC2)cc1)c1ccco1 ZINC000294865008 455829670 /nfs/dbraw/zinc/82/96/70/455829670.db2.gz AMHIIYGHSQJOGX-LJQANCHMSA-N 1 1 344.455 3.372 20 10 EGCDMO C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000272063606 455836218 /nfs/dbraw/zinc/83/62/18/455836218.db2.gz SNYCCIMILXUIIK-INIZCTEOSA-N 1 1 326.440 3.434 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCOc3ccc(F)cc32)ccc1[N+](=O)[O-] ZINC000278622101 455842644 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456218119 /nfs/dbraw/zinc/21/81/19/456218119.db2.gz HQVHFUJSEQPPQE-AYHJJNSGSA-N 1 1 345.487 3.329 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOc3ccc(F)cc32)c1 ZINC000273474275 456233192 /nfs/dbraw/zinc/23/31/92/456233192.db2.gz KJYXKMKCQHVSPO-BZNIZROVSA-N 1 1 345.370 3.492 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)C[C@H](O)c2cccs2)c1 ZINC000273522859 456236349 /nfs/dbraw/zinc/23/63/49/456236349.db2.gz UQPGXNLANUNCDX-WQGACYEGSA-N 1 1 349.452 3.403 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)C[C@@H](O)c2cccs2)c1 ZINC000273522858 456236655 /nfs/dbraw/zinc/23/66/55/456236655.db2.gz UQPGXNLANUNCDX-MQIPJXDCSA-N 1 1 349.452 3.403 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(O)c1C ZINC000273593409 456239406 /nfs/dbraw/zinc/23/94/06/456239406.db2.gz PWJSUJLRRCZRJR-DLBZAZTESA-N 1 1 332.488 3.161 20 10 EGCDMO C[N@@H+](CCCC1CCOCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000274236090 456252558 /nfs/dbraw/zinc/25/25/58/456252558.db2.gz UOKQFYFQTRLQCT-UHFFFAOYSA-N 1 1 332.488 3.162 20 10 EGCDMO Cc1ccc2c(c1)nc(C[NH2+]Cc1ccc(N(C)C)c(F)c1)n2C ZINC000274449960 456259077 /nfs/dbraw/zinc/25/90/77/456259077.db2.gz SGOQRHFCJDVJPD-UHFFFAOYSA-N 1 1 326.419 3.377 20 10 EGCDMO CCCC[N@@H+](CCC(=O)Nc1cc(C)on1)Cc1ccccc1O ZINC000282531781 456544137 /nfs/dbraw/zinc/54/41/37/456544137.db2.gz VELFBRCCBXBZDB-UHFFFAOYSA-N 1 1 331.416 3.320 20 10 EGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291298038 456596523 /nfs/dbraw/zinc/59/65/23/456596523.db2.gz QHSHSHOPRDASRF-SECBINFHSA-N 1 1 326.170 3.149 20 10 EGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000291298038 456596531 /nfs/dbraw/zinc/59/65/31/456596531.db2.gz QHSHSHOPRDASRF-SECBINFHSA-N 1 1 326.170 3.149 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000291471284 456653447 /nfs/dbraw/zinc/65/34/47/456653447.db2.gz DXYXUJHOMWGTDP-MRXNPFEDSA-N 1 1 341.455 3.288 20 10 EGCDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccccc1O ZINC000299468872 456702202 /nfs/dbraw/zinc/70/22/02/456702202.db2.gz CGZRSKXGVBRTJX-UHFFFAOYSA-N 1 1 341.455 3.232 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357470818 457549994 /nfs/dbraw/zinc/54/99/94/457549994.db2.gz JGGFJCVSBBZKAC-MRXNPFEDSA-N 1 1 327.472 3.367 20 10 EGCDMO O=C1[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)CCN1Cc1ccccc1 ZINC000365075796 457726207 /nfs/dbraw/zinc/72/62/07/457726207.db2.gz CFWYWYQYQALDBT-OAHLLOKOSA-N 1 1 348.805 3.075 20 10 EGCDMO c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000367690767 457971598 /nfs/dbraw/zinc/97/15/98/457971598.db2.gz ZJXCDNUJDYRIPJ-PMACEKPBSA-N 1 1 344.499 3.162 20 10 EGCDMO CC(C)c1cccc(N(C)C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000423080053 458429921 /nfs/dbraw/zinc/42/99/21/458429921.db2.gz BFGKDIBSSOPNTK-OAHLLOKOSA-N 1 1 326.444 3.277 20 10 EGCDMO CC[N@H+]1CCC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000471802528 458733337 /nfs/dbraw/zinc/73/33/37/458733337.db2.gz BSVIUOMZEQUIDM-MRXNPFEDSA-N 1 1 342.487 3.018 20 10 EGCDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471852807 458743395 /nfs/dbraw/zinc/74/33/95/458743395.db2.gz NPCSGSPRKWYAQW-INIZCTEOSA-N 1 1 342.487 3.160 20 10 EGCDMO Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000545868276 459864060 /nfs/dbraw/zinc/86/40/60/459864060.db2.gz DPCXZVGRDIVBFR-UHFFFAOYSA-N 1 1 332.407 3.264 20 10 EGCDMO COC1CC[NH+](C2(CNCc3ccc(N(C)C)cc3)CCCC2)CC1 ZINC000730817448 575024249 /nfs/dbraw/zinc/02/42/49/575024249.db2.gz NHCVRKZFLZHSID-UHFFFAOYSA-N 1 1 345.531 3.266 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000731020309 575045101 /nfs/dbraw/zinc/04/51/01/575045101.db2.gz QSPSEDIEVXEATO-MRXNPFEDSA-N 1 1 343.496 3.370 20 10 EGCDMO C[N@@H+](CC(=O)NCCCSc1ccccc1)Cc1ccccc1O ZINC000731843718 575211930 /nfs/dbraw/zinc/21/19/30/575211930.db2.gz TWYOEILGDBUJJG-UHFFFAOYSA-N 1 1 344.480 3.123 20 10 EGCDMO COc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+]2CCCC2)cc1 ZINC000731863668 575212973 /nfs/dbraw/zinc/21/29/73/575212973.db2.gz BAUXGUMWYHAGCN-MRXNPFEDSA-N 1 1 346.452 3.029 20 10 EGCDMO CC[N@@H+](C)[C@@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000733972781 575419654 /nfs/dbraw/zinc/41/96/54/575419654.db2.gz LRBMBXYZYFHCJX-OAHLLOKOSA-N 1 1 349.525 3.435 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCCC[C@@H]3C3OCCO3)c2c1 ZINC000740759082 576623867 /nfs/dbraw/zinc/62/38/67/576623867.db2.gz ROSNVUYALFUIQN-GOSISDBHSA-N 1 1 343.423 3.281 20 10 EGCDMO CC(C)[N@@H+](CCC(=O)N1CCC[C@H]1C)Cc1ccc(N(C)C)cc1 ZINC000743261581 576804613 /nfs/dbraw/zinc/80/46/13/576804613.db2.gz GMXCPHPIAVSALR-QGZVFWFLSA-N 1 1 331.504 3.364 20 10 EGCDMO CC[N@@H+](Cc1cnc(C)cn1)Cc1cc(Br)ccc1O ZINC000743871228 576818066 /nfs/dbraw/zinc/81/80/66/576818066.db2.gz XNPVJPUYPKIEFB-UHFFFAOYSA-N 1 1 336.233 3.275 20 10 EGCDMO COC(=O)C[C@H]1CCCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000745438208 576847974 /nfs/dbraw/zinc/84/79/74/576847974.db2.gz SQHKXAZUOSAHKF-OAHLLOKOSA-N 1 1 343.423 3.472 20 10 EGCDMO Oc1ccc2ccncc2c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000022000511 1291208042 /nfs/dbraw/zinc/20/80/42/1291208042.db2.gz WPBFHRKHBOJQOV-UHFFFAOYSA-N 1 1 347.462 3.301 20 10 EGCDMO Cc1cc(C[NH+]2CCC(c3nc[nH]n3)CC2)ccc1N1CCCCC1 ZINC000828021583 1292420109 /nfs/dbraw/zinc/42/01/09/1292420109.db2.gz ZIVQEGCVVJMRJC-UHFFFAOYSA-N 1 1 339.487 3.483 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](C)[C@H]2CCSC2)c(C)n1-c1ccc(F)cn1 ZINC000828498821 1292468612 /nfs/dbraw/zinc/46/86/12/1292468612.db2.gz FKWJZZDRXMYUIK-HNNXBMFYSA-N 1 1 347.459 3.248 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](C)[C@H]2CCSC2)c(C)n1-c1ccc(F)cn1 ZINC000828498821 1292468616 /nfs/dbraw/zinc/46/86/16/1292468616.db2.gz FKWJZZDRXMYUIK-HNNXBMFYSA-N 1 1 347.459 3.248 20 10 EGCDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000091930821 1292850093 /nfs/dbraw/zinc/85/00/93/1292850093.db2.gz VPVYKIDEQPVGMM-UHFFFAOYSA-N 1 1 333.863 3.147 20 10 EGCDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401038 1292866153 /nfs/dbraw/zinc/86/61/53/1292866153.db2.gz UMBHCKJFYYCXCA-HZPDHXFCSA-N 1 1 348.487 3.308 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)c1O ZINC000093499799 1292924346 /nfs/dbraw/zinc/92/43/46/1292924346.db2.gz LTGJHGJDRNBEIE-UWVGGRQHSA-N 1 1 346.290 3.489 20 10 EGCDMO CSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093558766 1292926416 /nfs/dbraw/zinc/92/64/16/1292926416.db2.gz SXEMPXLOIXTDHN-CQSZACIVSA-N 1 1 326.481 3.236 20 10 EGCDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000834880446 1293162710 /nfs/dbraw/zinc/16/27/10/1293162710.db2.gz ALXOGUXBRQYEFL-COPLHBTASA-N 1 1 333.350 3.113 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1ccccc1)c1cc(F)cc(F)c1O ZINC000834896737 1293168102 /nfs/dbraw/zinc/16/81/02/1293168102.db2.gz NHPSJQNRSIVRFU-OLZOCXBDSA-N 1 1 348.393 3.068 20 10 EGCDMO CC[NH+](CC)C1CCN(Cc2cccc(Br)c2O)CC1 ZINC000121703774 1293385458 /nfs/dbraw/zinc/38/54/58/1293385458.db2.gz JQCRJUAWZDWHOC-UHFFFAOYSA-N 1 1 341.293 3.461 20 10 EGCDMO COc1ccc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cc1 ZINC000122141813 1293402157 /nfs/dbraw/zinc/40/21/57/1293402157.db2.gz DESITQPNYVHYQC-UHFFFAOYSA-N 1 1 326.440 3.416 20 10 EGCDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)on1 ZINC000125532386 1293510288 /nfs/dbraw/zinc/51/02/88/1293510288.db2.gz HTVWVMBOCDVQGV-ZDUSSCGKSA-N 1 1 335.835 3.324 20 10 EGCDMO CC[N@@H+](CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156653787 1294152958 /nfs/dbraw/zinc/15/29/58/1294152958.db2.gz QQYOQJIHQBHIGH-MRXNPFEDSA-N 1 1 337.483 3.043 20 10 EGCDMO CCN(CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000156653787 1294152960 /nfs/dbraw/zinc/15/29/60/1294152960.db2.gz QQYOQJIHQBHIGH-MRXNPFEDSA-N 1 1 337.483 3.043 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCCN(CC(F)F)CC2)c1 ZINC000159608521 1294241714 /nfs/dbraw/zinc/24/17/14/1294241714.db2.gz CAACYLLLBJZUNB-UHFFFAOYSA-N 1 1 342.430 3.168 20 10 EGCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc4c(cc3O)CCCC4)C2)cn1 ZINC000160342259 1294265748 /nfs/dbraw/zinc/26/57/48/1294265748.db2.gz ZKUSWZJWALVJJS-OAHLLOKOSA-N 1 1 325.456 3.069 20 10 EGCDMO CCCN1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000161585213 1294295619 /nfs/dbraw/zinc/29/56/19/1294295619.db2.gz DBEGVIPVIWHPSS-QGZVFWFLSA-N 1 1 331.504 3.048 20 10 EGCDMO CCC[NH+]1CCC(N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000161585213 1294295623 /nfs/dbraw/zinc/29/56/23/1294295623.db2.gz DBEGVIPVIWHPSS-QGZVFWFLSA-N 1 1 331.504 3.048 20 10 EGCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)cc(C)c3O)CC2)s1 ZINC000178863918 1294758372 /nfs/dbraw/zinc/75/83/72/1294758372.db2.gz AUQAGZCMTBIGFF-UHFFFAOYSA-N 1 1 344.480 3.337 20 10 EGCDMO Fc1ccc2c(c1)CC[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000181441503 1294969326 /nfs/dbraw/zinc/96/93/26/1294969326.db2.gz FJJYQHYMBMIHRZ-UHFFFAOYSA-N 1 1 326.415 3.221 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000183174676 1295102949 /nfs/dbraw/zinc/10/29/49/1295102949.db2.gz ICEHMQNLEGOBKU-MSOLQXFVSA-N 1 1 340.467 3.288 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000183174676 1295102952 /nfs/dbraw/zinc/10/29/52/1295102952.db2.gz ICEHMQNLEGOBKU-MSOLQXFVSA-N 1 1 340.467 3.288 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c(O)cc1C ZINC000183795779 1295144230 /nfs/dbraw/zinc/14/42/30/1295144230.db2.gz KLCBMVVMQWKSCE-HNNXBMFYSA-N 1 1 335.444 3.263 20 10 EGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000193350147 1295856129 /nfs/dbraw/zinc/85/61/29/1295856129.db2.gz DAJQHVXSYDIODQ-LJQANCHMSA-N 1 1 335.444 3.120 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000303858305 1296860089 /nfs/dbraw/zinc/86/00/89/1296860089.db2.gz GUJAZOFOFZGRGF-LJQANCHMSA-N 1 1 325.456 3.260 20 10 EGCDMO CC(C)(CN1CCCC1)[NH2+]Cc1c(O)cccc1Br ZINC000706821422 1298223701 /nfs/dbraw/zinc/22/37/01/1298223701.db2.gz FTSKNKBXLISHTE-UHFFFAOYSA-N 1 1 327.266 3.119 20 10 EGCDMO Cn1cc(Cl)cc1C[N@@H+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876807148 1299000475 /nfs/dbraw/zinc/00/04/75/1299000475.db2.gz ZJPDSIGJQKAHGY-UHFFFAOYSA-N 1 1 347.890 3.272 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000876812531 1299008921 /nfs/dbraw/zinc/00/89/21/1299008921.db2.gz MKJGRDKCZAWVLW-FXAWDEMLSA-N 1 1 327.424 3.025 20 10 EGCDMO C[C@@H]1CCCC[N@@H+]1CCCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876897728 1299055906 /nfs/dbraw/zinc/05/59/06/1299055906.db2.gz VKNPNROZKQTNPV-GOSISDBHSA-N 1 1 345.531 3.002 20 10 EGCDMO C[C@@H]1CCCC[N@H+]1CCCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000876897728 1299055914 /nfs/dbraw/zinc/05/59/14/1299055914.db2.gz VKNPNROZKQTNPV-GOSISDBHSA-N 1 1 345.531 3.002 20 10 EGCDMO CC[C@@H]1CCCC[N@@H+]1CCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877027147 1299120208 /nfs/dbraw/zinc/12/02/08/1299120208.db2.gz JITVRGMNTQTANF-LJQANCHMSA-N 1 1 345.531 3.002 20 10 EGCDMO CC[C@@H]1CCCC[N@H+]1CCNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877027147 1299120213 /nfs/dbraw/zinc/12/02/13/1299120213.db2.gz JITVRGMNTQTANF-LJQANCHMSA-N 1 1 345.531 3.002 20 10 EGCDMO Cc1ccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c(O)c1 ZINC000877182189 1299197029 /nfs/dbraw/zinc/19/70/29/1299197029.db2.gz KQDMCIXNYQFIGQ-UHFFFAOYSA-N 1 1 332.488 3.025 20 10 EGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@H](CC)CO1 ZINC000877611364 1299430504 /nfs/dbraw/zinc/43/05/04/1299430504.db2.gz PUZZAOZABVRJQD-YLJYHZDGSA-N 1 1 332.488 3.037 20 10 EGCDMO CC[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877611615 1299431966 /nfs/dbraw/zinc/43/19/66/1299431966.db2.gz VVDBIFVHUURYJY-KRWDZBQOSA-N 1 1 332.488 3.037 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)cc1Cl ZINC000877773735 1299549110 /nfs/dbraw/zinc/54/91/10/1299549110.db2.gz WQPVOHOHEJMAFG-UHFFFAOYSA-N 1 1 338.879 3.434 20 10 EGCDMO C[C@H](C[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)c1nccs1 ZINC000753595668 1299985806 /nfs/dbraw/zinc/98/58/06/1299985806.db2.gz QQJSSEMGOMHFJH-MRXNPFEDSA-N 1 1 344.528 3.130 20 10 EGCDMO C[C@H](C[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1)c1nccs1 ZINC000753595668 1299985818 /nfs/dbraw/zinc/98/58/18/1299985818.db2.gz QQJSSEMGOMHFJH-MRXNPFEDSA-N 1 1 344.528 3.130 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)cc1F ZINC000754178151 1300100042 /nfs/dbraw/zinc/10/00/42/1300100042.db2.gz GKEPFDFXSFXJED-NSHDSACASA-N 1 1 333.234 3.150 20 10 EGCDMO CCC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000755244646 1300305451 /nfs/dbraw/zinc/30/54/51/1300305451.db2.gz GYFPSWXKBVGBBF-IBGZPJMESA-N 1 1 331.504 3.366 20 10 EGCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756362585 1300475537 /nfs/dbraw/zinc/47/55/37/1300475537.db2.gz JZSFNGUQZZICPL-CABCVRRESA-N 1 1 334.460 3.094 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCC[C@H](C)C2)c1 ZINC000756448588 1300495072 /nfs/dbraw/zinc/49/50/72/1300495072.db2.gz CLMUXXKNVYCPCN-LSDHHAIUSA-N 1 1 348.487 3.340 20 10 EGCDMO Cc1ccc(N2CC[C@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2=O)cc1 ZINC000756734747 1300557068 /nfs/dbraw/zinc/55/70/68/1300557068.db2.gz YSZPZUIGNDPSHV-SJCJKPOMSA-N 1 1 346.377 3.435 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(OC)cc2F)c1 ZINC000756759770 1300561084 /nfs/dbraw/zinc/56/10/84/1300561084.db2.gz 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CC[C@@H]([NH2+][C@H](C)c1c(O)cccc1F)C(=O)NCc1cccs1 ZINC000886630044 1303531797 /nfs/dbraw/zinc/53/17/97/1303531797.db2.gz UDXUTKGFSFALDW-BXUZGUMPSA-N 1 1 336.432 3.338 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(O)cccc1F ZINC000886639712 1303535759 /nfs/dbraw/zinc/53/57/59/1303535759.db2.gz KDAMOZFXYYEGIG-CQSZACIVSA-N 1 1 344.430 3.343 20 10 EGCDMO C[C@@H]([NH2+]CC(=O)NC1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000774241932 1303789659 /nfs/dbraw/zinc/78/96/59/1303789659.db2.gz ZEYMMWVVFLIADL-SECBINFHSA-N 1 1 331.243 3.408 20 10 EGCDMO C[C@H]([NH2+][C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000774484989 1303816172 /nfs/dbraw/zinc/81/61/72/1303816172.db2.gz UHSUSARJWYILID-YWZLYKJASA-N 1 1 337.467 3.423 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774876483 1303870686 /nfs/dbraw/zinc/87/06/86/1303870686.db2.gz AFIVLNMOYYKPBP-UHFFFAOYSA-N 1 1 328.368 3.257 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774876483 1303870690 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338.249 3.465 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000775652305 1304005766 /nfs/dbraw/zinc/00/57/66/1304005766.db2.gz XPEUWGIHHYXTNE-NRFANRHFSA-N 1 1 335.495 3.428 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CC[C@H](c4ccccc4)C3)cc2)CC1 ZINC000775652305 1304005770 /nfs/dbraw/zinc/00/57/70/1304005770.db2.gz XPEUWGIHHYXTNE-NRFANRHFSA-N 1 1 335.495 3.428 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664643 1304009546 /nfs/dbraw/zinc/00/95/46/1304009546.db2.gz OFKGUSDVZKONAA-DLBZAZTESA-N 1 1 332.488 3.487 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664643 1304009549 /nfs/dbraw/zinc/00/95/49/1304009549.db2.gz OFKGUSDVZKONAA-DLBZAZTESA-N 1 1 332.488 3.487 20 10 EGCDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cccc(C)c1O ZINC000775689879 1304015726 /nfs/dbraw/zinc/01/57/26/1304015726.db2.gz PBQKAEBQELQAPG-UHFFFAOYSA-N 1 1 333.403 3.367 20 10 EGCDMO CCc1cc(C[N@H+]2CC[C@@H](n3cncn3)C2)c(O)c(C(C)(C)C)c1 ZINC000776777743 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O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1C[C@@H]1C1CC1 ZINC000134265797 1293768496 /nfs/dbraw/zinc/76/84/96/1293768496.db2.gz BKRFBONDSNIUON-BRWVUGGUSA-N 1 1 348.874 3.172 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](CCc3ccccc3)C2)c1 ZINC000184246969 1295182041 /nfs/dbraw/zinc/18/20/41/1295182041.db2.gz UMVYYWKTCXCXLT-LJQANCHMSA-N 1 1 327.424 3.234 20 10 EGCDMO COc1cc(C)cc(C[NH+]2CCN(Cc3ccccc3C)CC2)c1O ZINC000216347924 1296118840 /nfs/dbraw/zinc/11/88/40/1296118840.db2.gz FXJASYIUKDPSOW-UHFFFAOYSA-N 1 1 340.467 3.335 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC000250098022 1296455265 /nfs/dbraw/zinc/45/52/65/1296455265.db2.gz QYQATGIICBHXJU-DNVCBOLYSA-N 1 1 327.424 3.174 20 10 EGCDMO O=C(C[N@H+]1CCC[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255564197 1296547943 /nfs/dbraw/zinc/54/79/43/1296547943.db2.gz LJEXJSKOJUUXMT-GOSISDBHSA-N 1 1 338.411 3.497 20 10 EGCDMO O=C(C[N@@H+]1CCC[C@@H]1CO)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255564197 1296547948 /nfs/dbraw/zinc/54/79/48/1296547948.db2.gz LJEXJSKOJUUXMT-GOSISDBHSA-N 1 1 338.411 3.497 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ncc[nH]1 ZINC000285721891 1296737709 /nfs/dbraw/zinc/73/77/09/1296737709.db2.gz QEYAKUZELNJHTF-HZSPNIEDSA-N 1 1 332.423 3.013 20 10 EGCDMO C[C@@H]([NH2+]CC(C)(C)N1CCN(C)CC1)c1ccc2ccccc2c1O ZINC000326697882 1297240428 /nfs/dbraw/zinc/24/04/28/1297240428.db2.gz UMILIFRIYFDXNL-MRXNPFEDSA-N 1 1 341.499 3.222 20 10 EGCDMO C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1cc(Br)ccc1[O-] ZINC000873241342 1297382178 /nfs/dbraw/zinc/38/21/78/1297382178.db2.gz VYWXSLNYTQDJEB-GVXVVHGQSA-N 1 1 327.266 3.323 20 10 EGCDMO CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cc(F)cc(F)c1O)C1CC1 ZINC000708501820 1298239782 /nfs/dbraw/zinc/23/97/82/1298239782.db2.gz JZDHTAZCIKSVCV-CQSZACIVSA-N 1 1 342.386 3.063 20 10 EGCDMO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000715778772 1298285822 /nfs/dbraw/zinc/28/58/22/1298285822.db2.gz MIOGRPFBDKOCIU-STQMWFEESA-N 1 1 343.240 3.010 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000875478153 1298353811 /nfs/dbraw/zinc/35/38/11/1298353811.db2.gz WPOJXLAFTLCZEP-CVEARBPZSA-N 1 1 345.487 3.153 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745801069 1298482093 /nfs/dbraw/zinc/48/20/93/1298482093.db2.gz SIUYGGIZVQOGKK-QGZVFWFLSA-N 1 1 348.535 3.403 20 10 EGCDMO O=C(NCCCSc1nccs1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000747662439 1298821586 /nfs/dbraw/zinc/82/15/86/1298821586.db2.gz YALSVMPDSWOORK-CQSZACIVSA-N 1 1 339.530 3.149 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000876559319 1298828528 /nfs/dbraw/zinc/82/85/28/1298828528.db2.gz YEJYCQATDXHJPN-MRXNPFEDSA-N 1 1 340.471 3.398 20 10 EGCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)no1 ZINC000876591304 1298853926 /nfs/dbraw/zinc/85/39/26/1298853926.db2.gz GFGRMJHOEJXDLG-HXUWFJFHSA-N 1 1 341.455 3.281 20 10 EGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)no1 ZINC000876591304 1298853939 /nfs/dbraw/zinc/85/39/39/1298853939.db2.gz GFGRMJHOEJXDLG-HXUWFJFHSA-N 1 1 341.455 3.281 20 10 EGCDMO CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797081 1298992588 /nfs/dbraw/zinc/99/25/88/1298992588.db2.gz MFQATSHAWMRJMI-FPOVZHCZSA-N 1 1 346.515 3.283 20 10 EGCDMO CCCC[NH+]1CCC(NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876977390 1299099307 /nfs/dbraw/zinc/09/93/07/1299099307.db2.gz ZSERXWATCKMJEA-UHFFFAOYSA-N 1 1 345.531 3.002 20 10 EGCDMO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ccc(N)cc1 ZINC000877078635 1299148240 /nfs/dbraw/zinc/14/82/40/1299148240.db2.gz XQRXYXRDFSLLSJ-IBGZPJMESA-N 1 1 341.430 3.425 20 10 EGCDMO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ccc(N)cc1 ZINC000877078635 1299148244 /nfs/dbraw/zinc/14/82/44/1299148244.db2.gz XQRXYXRDFSLLSJ-IBGZPJMESA-N 1 1 341.430 3.425 20 10 EGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])C(C)C ZINC000750044049 1299328409 /nfs/dbraw/zinc/32/84/09/1299328409.db2.gz APCMRGIKIBJAOP-UHFFFAOYSA-N 1 1 327.808 3.022 20 10 EGCDMO COC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000750044049 1299328416 /nfs/dbraw/zinc/32/84/16/1299328416.db2.gz APCMRGIKIBJAOP-UHFFFAOYSA-N 1 1 327.808 3.022 20 10 EGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C(C)C ZINC000750044049 1299328426 /nfs/dbraw/zinc/32/84/26/1299328426.db2.gz APCMRGIKIBJAOP-UHFFFAOYSA-N 1 1 327.808 3.022 20 10 EGCDMO Cc1cccc(O)c1C[N@@H+](Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000877544960 1299388897 /nfs/dbraw/zinc/38/88/97/1299388897.db2.gz CAUMFANINVUAKK-UHFFFAOYSA-N 1 1 328.387 3.103 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@@H]3CCCOC3)cc2)CC1 ZINC000877603363 1299425765 /nfs/dbraw/zinc/42/57/65/1299425765.db2.gz LHXYKOBFCMJOFJ-WIYYLYMNSA-N 1 1 344.499 3.039 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)CCN(C)c2ccccc2)c1O ZINC000750825657 1299459721 /nfs/dbraw/zinc/45/97/21/1299459721.db2.gz ILEYGPQUVUJHFH-UHFFFAOYSA-N 1 1 330.403 3.302 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000877817135 1299578415 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CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000801981730 1316973717 /nfs/dbraw/zinc/97/37/17/1316973717.db2.gz AJTFVINDYXMGBL-KRWDZBQOSA-N 1 1 347.503 3.436 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cc1F ZINC000802657865 1317023306 /nfs/dbraw/zinc/02/33/06/1317023306.db2.gz AYTQTOZBPDRQKP-UHFFFAOYSA-N 1 1 331.391 3.474 20 10 EGCDMO CC(C)Oc1ccc([C@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000807827551 1317590045 /nfs/dbraw/zinc/59/00/45/1317590045.db2.gz DTIDLAQCKQFMOO-INIZCTEOSA-N 1 1 348.468 3.274 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903334468 1317687768 /nfs/dbraw/zinc/68/77/68/1317687768.db2.gz AFVSRPSBTVTKRM-SGTLLEGYSA-N 1 1 326.396 3.376 20 10 EGCDMO CCC[N@@H+](CCN1CCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809704793 1317869095 /nfs/dbraw/zinc/86/90/95/1317869095.db2.gz GVGPTZVBHNFUAO-UHFFFAOYSA-N 1 1 336.476 3.107 20 10 EGCDMO CCCN(CC[NH+]1CCCCC1)Cc1cc(OC)c(OC)cc1O ZINC000809704793 1317869100 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CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000918206477 1319934608 /nfs/dbraw/zinc/93/46/08/1319934608.db2.gz HTTGGYOXINSXSJ-KRWDZBQOSA-N 1 1 346.519 3.064 20 10 EGCDMO C[C@H]1CN(c2ccc(C[NH2+]Cc3ccncc3F)cc2F)C[C@H](C)O1 ZINC000823671311 1320197219 /nfs/dbraw/zinc/19/72/19/1320197219.db2.gz KYVFYXBSMGMCKZ-KBPBESRZSA-N 1 1 347.409 3.263 20 10 EGCDMO COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265434 /nfs/dbraw/zinc/26/54/34/1320265434.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 1 334.504 3.472 20 10 EGCDMO COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265436 /nfs/dbraw/zinc/26/54/36/1320265436.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 1 334.504 3.472 20 10 EGCDMO COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265441 /nfs/dbraw/zinc/26/54/41/1320265441.db2.gz BTLUZJNTMYYYBY-HNNXBMFYSA-N 1 1 334.504 3.472 20 10 EGCDMO COc1cc(C[N@H+](C)C[C@H]2CCCN(C)C2)c(O)c(C(C)(C)C)c1 ZINC000824575135 1320265445 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EGCDMO C[C@@H]1CN(Cc2ccc(Br)cc2O)CC[N@H+](C2CC2)C1 ZINC000826023889 1320379421 /nfs/dbraw/zinc/37/94/21/1320379421.db2.gz JNKHYYHBBINLEL-GFCCVEGCSA-N 1 1 339.277 3.071 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)C[C@@H]2COCCO2)cc1 ZINC000827139566 1320429506 /nfs/dbraw/zinc/42/95/06/1320429506.db2.gz CHDBEQXBWICPQI-GOSISDBHSA-N 1 1 346.496 3.232 20 10 EGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)c(C)c1 ZINC000839125591 1320875392 /nfs/dbraw/zinc/87/53/92/1320875392.db2.gz JWGGNHLNOMMQOW-UHFFFAOYSA-N 1 1 344.503 3.060 20 10 EGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000839170810 1320884069 /nfs/dbraw/zinc/88/40/69/1320884069.db2.gz TXKDLFCPTNMJTJ-KRWDZBQOSA-N 1 1 336.451 3.053 20 10 EGCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)C(C)(C)c2ccccc2)cc1 ZINC000839596173 1320942728 /nfs/dbraw/zinc/94/27/28/1320942728.db2.gz SJOMTXDIVXTLQG-UHFFFAOYSA-N 1 1 339.483 3.236 20 10 EGCDMO COc1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccncc31)CCO2 ZINC000840133651 1321036611 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C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1[O-] ZINC000273359600 456225160 /nfs/dbraw/zinc/22/51/60/456225160.db2.gz DLHUSMFSQFSMAM-NSHDSACASA-N 1 1 325.250 3.067 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)c2c(C)noc2C)c1 ZINC000273484251 456234498 /nfs/dbraw/zinc/23/44/98/456234498.db2.gz MTMJEIKOPVGWRY-WDEREUQCSA-N 1 1 332.400 3.238 20 10 EGCDMO Cc1nnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000274219850 456252739 /nfs/dbraw/zinc/25/27/39/456252739.db2.gz OCKKXPUVAMVYRC-QWHCGFSZSA-N 1 1 332.473 3.095 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282463867 456522377 /nfs/dbraw/zinc/52/23/77/456522377.db2.gz GCMQWKHUZDONHR-DYVFJYSZSA-N 1 1 333.428 3.179 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000283536031 456799082 /nfs/dbraw/zinc/79/90/82/456799082.db2.gz GSNSBQJINVRVFH-WBVHZDCISA-N 1 1 345.487 3.329 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@]1=O ZINC000277447494 456827786 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Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000365570480 547777297 /nfs/dbraw/zinc/77/72/97/547777297.db2.gz VUVIZFTWIZGDPG-LJQANCHMSA-N 1 1 327.380 3.003 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727229655 574655117 /nfs/dbraw/zinc/65/51/17/574655117.db2.gz PIPAPKNNCFCHRY-MRXNPFEDSA-N 1 1 346.519 3.157 20 10 EGCDMO C[C@H](C[N@@H+](C)CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000727438076 574667418 /nfs/dbraw/zinc/66/74/18/574667418.db2.gz OEOPPKRANISSCI-QGZVFWFLSA-N 1 1 339.483 3.104 20 10 EGCDMO CC[N@@H+](C)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000728604928 574761454 /nfs/dbraw/zinc/76/14/54/574761454.db2.gz LDDSBUXUQVTELQ-IBGZPJMESA-N 1 1 343.446 3.201 20 10 EGCDMO CCCC[N@@H+](C)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000732892122 575294956 /nfs/dbraw/zinc/29/49/56/575294956.db2.gz RXDGASYIQKRNNK-UHFFFAOYSA-N 1 1 346.519 3.159 20 10 EGCDMO C[C@@H]1CCC[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000741807116 576724133 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ZINC001336290624 1389060721 /nfs/dbraw/zinc/06/07/21/1389060721.db2.gz QQUYKUGEMYIIQT-WMZOPIPTSA-N 1 1 344.503 3.065 20 10 EGCDMO C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1c(O)cccc1F ZINC001331230221 1389663266 /nfs/dbraw/zinc/66/32/66/1389663266.db2.gz SYJTVGJMEKEYGU-LBPRGKRZSA-N 1 1 326.412 3.487 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC001331552241 1389797061 /nfs/dbraw/zinc/79/70/61/1389797061.db2.gz FGMCHPCWTVBZDC-MRXNPFEDSA-N 1 1 341.398 3.221 20 10 EGCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc(C)ccc2O)c1 ZINC001332806907 1390191554 /nfs/dbraw/zinc/19/15/54/1390191554.db2.gz NCGXEGRPXYKLNQ-UHFFFAOYSA-N 1 1 341.455 3.152 20 10 EGCDMO Nc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790120 1391849514 /nfs/dbraw/zinc/84/95/14/1391849514.db2.gz OTVGTPPHRLCDBC-LJQANCHMSA-N 1 1 338.455 3.445 20 10 EGCDMO CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000159136209 455355049 /nfs/dbraw/zinc/35/50/49/455355049.db2.gz MDDUGEMPWGHUDO-FQEVSTJZSA-N 1 1 333.520 3.294 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000025571730 453778436 /nfs/dbraw/zinc/77/84/36/453778436.db2.gz FQSUPHIWRQXYKD-IBGZPJMESA-N 1 1 346.858 3.204 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1F ZINC000084860317 454012759 /nfs/dbraw/zinc/01/27/59/454012759.db2.gz MIQHNSYKPXGRDQ-UHFFFAOYSA-N 1 1 332.394 3.433 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(F)cc1F ZINC000084860317 454012762 /nfs/dbraw/zinc/01/27/62/454012762.db2.gz MIQHNSYKPXGRDQ-UHFFFAOYSA-N 1 1 332.394 3.433 20 10 EGCDMO CCn1nc(C)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000160181694 455435530 /nfs/dbraw/zinc/43/55/30/455435530.db2.gz WXHGEUCUARMBLZ-SFHVURJKSA-N 1 1 343.471 3.407 20 10 EGCDMO COc1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2O)c(OC)c1OC ZINC000185067078 455495269 /nfs/dbraw/zinc/49/52/69/455495269.db2.gz FLEUERPCUAIOTQ-NSHDSACASA-N 1 1 335.375 3.408 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)c1O ZINC000180316169 455157268 /nfs/dbraw/zinc/15/72/68/455157268.db2.gz CKIAYLIRBAMINM-DOMZBBRYSA-N 1 1 340.261 3.464 20 10 EGCDMO COc1ccc(O)c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000183513113 455301557 /nfs/dbraw/zinc/30/15/57/455301557.db2.gz NUBWSVPTQJXMPL-SFHVURJKSA-N 1 1 343.423 3.288 20 10 EGCDMO COc1ccc(CC[NH2+][C@H](C)c2ccc(F)cc2O)c(OC)c1OC ZINC000185327180 455541771 /nfs/dbraw/zinc/54/17/71/455541771.db2.gz TVYFTGNDPFULKV-GFCCVEGCSA-N 1 1 349.402 3.450 20 10 EGCDMO COc1ccc([C@H](C[NH+](C)C)NCc2ccc(OC)c(C)c2)cc1 ZINC000283968339 455618347 /nfs/dbraw/zinc/61/83/47/455618347.db2.gz KYEGOWUJFRHDEZ-IBGZPJMESA-N 1 1 328.456 3.405 20 10 EGCDMO COc1ccc([C@H](CN(C)C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000284230759 455654704 /nfs/dbraw/zinc/65/47/04/455654704.db2.gz DJUXSAIFFYWQFH-UGSOOPFHSA-N 1 1 332.419 3.493 20 10 EGCDMO CC[C@H]([NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000271510253 455664227 /nfs/dbraw/zinc/66/42/27/455664227.db2.gz NVSGLYPDNPDXCF-PWRODBHTSA-N 1 1 345.531 3.171 20 10 EGCDMO C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000192722205 455678605 /nfs/dbraw/zinc/67/86/05/455678605.db2.gz KDVZJDOGYKNXAQ-LLVKDONJSA-N 1 1 347.286 3.196 20 10 EGCDMO C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccc(F)cc1O ZINC000186190715 455712123 /nfs/dbraw/zinc/71/21/23/455712123.db2.gz QYDONQAZBSFKAP-ZBFHGGJFSA-N 1 1 342.414 3.231 20 10 EGCDMO COc1c(O)c(C[NH2+]Cc2cccc(CSC)c2)ccc1[N+](=O)[O-] ZINC000278351702 455826667 /nfs/dbraw/zinc/82/66/67/455826667.db2.gz IRRCPZVZZFZSDU-UHFFFAOYSA-N 1 1 348.424 3.462 20 10 EGCDMO C[C@H](c1ccccc1)[N@@H+](CCC(=O)N(C)C)Cc1ccccc1O ZINC000272063608 455835583 /nfs/dbraw/zinc/83/55/83/455835583.db2.gz SNYCCIMILXUIIK-MRXNPFEDSA-N 1 1 326.440 3.434 20 10 EGCDMO Cc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000295105564 455838756 /nfs/dbraw/zinc/83/87/56/455838756.db2.gz VNMBSTCSHMDHFI-GOOCMWNKSA-N 1 1 339.277 3.178 20 10 EGCDMO COc1c([O-])c(C[N@H+]2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636836 455843252 /nfs/dbraw/zinc/84/32/52/455843252.db2.gz HJABPPGSTAFWNO-LBPRGKRZSA-N 1 1 326.418 3.027 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636836 455843254 /nfs/dbraw/zinc/84/32/54/455843254.db2.gz HJABPPGSTAFWNO-LBPRGKRZSA-N 1 1 326.418 3.027 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636836 455843258 /nfs/dbraw/zinc/84/32/58/455843258.db2.gz HJABPPGSTAFWNO-LBPRGKRZSA-N 1 1 326.418 3.027 20 10 EGCDMO COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000278762889 455847095 /nfs/dbraw/zinc/84/70/95/455847095.db2.gz OUAMZUGXCKAKFA-GHMZBOCLSA-N 1 1 333.259 3.070 20 10 EGCDMO CCc1nnc([C@@H](C)[NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)[nH]1 ZINC000279784327 455874087 /nfs/dbraw/zinc/87/40/87/455874087.db2.gz BDVQOOQTJZVDFJ-SNVBAGLBSA-N 1 1 341.381 3.303 20 10 EGCDMO CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965342 455878777 /nfs/dbraw/zinc/87/87/77/455878777.db2.gz PJUUPNHJFGYCBD-CYBMUJFWSA-N 1 1 341.421 3.345 20 10 EGCDMO CN(C)c1ccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965342 455878783 /nfs/dbraw/zinc/87/87/83/455878783.db2.gz PJUUPNHJFGYCBD-CYBMUJFWSA-N 1 1 341.421 3.345 20 10 EGCDMO CN(C)c1ccc(CNC[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000279965342 455878790 /nfs/dbraw/zinc/87/87/90/455878790.db2.gz PJUUPNHJFGYCBD-CYBMUJFWSA-N 1 1 341.421 3.345 20 10 EGCDMO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@H]2O)CC1)c1ccc(C)cc1O ZINC000280056222 455882654 /nfs/dbraw/zinc/88/26/54/455882654.db2.gz JZCYJVRNVPPXTP-GBESFXJTSA-N 1 1 332.488 3.119 20 10 EGCDMO Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CCc2cccc(O)c21 ZINC000296232195 455886670 /nfs/dbraw/zinc/88/66/70/455886670.db2.gz ANCUVNMLHWUPAY-MRXNPFEDSA-N 1 1 325.412 3.032 20 10 EGCDMO Cc1cnc(C[NH2+]Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000296463763 455945326 /nfs/dbraw/zinc/94/53/26/455945326.db2.gz OYCHRLMVJMFROG-CHWSQXEVSA-N 1 1 349.475 3.494 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)cc1O ZINC000286188988 455996444 /nfs/dbraw/zinc/99/64/44/455996444.db2.gz QTEJPAVEPQZMOI-QWHCGFSZSA-N 1 1 348.340 3.125 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1)c1cscn1 ZINC000271024235 456100427 /nfs/dbraw/zinc/10/04/27/456100427.db2.gz AZHYDVXSAJSRBU-LBPRGKRZSA-N 1 1 335.448 3.094 20 10 EGCDMO CC(C)n1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)nn1 ZINC000289714117 456138038 /nfs/dbraw/zinc/13/80/38/456138038.db2.gz LMSBKUBZCZRWGI-UHFFFAOYSA-N 1 1 327.476 3.385 20 10 EGCDMO CC[C@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000297257538 456164678 /nfs/dbraw/zinc/16/46/78/456164678.db2.gz JSRWIXGDEGWQFF-CMPLNLGQSA-N 1 1 349.349 3.187 20 10 EGCDMO CCn1ccnc1[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1O ZINC000281264380 456183454 /nfs/dbraw/zinc/18/34/54/456183454.db2.gz YDIFDYGXLOBVGJ-HNNXBMFYSA-N 1 1 345.443 3.353 20 10 EGCDMO CCn1ccnc1[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000281264380 456183457 /nfs/dbraw/zinc/18/34/57/456183457.db2.gz YDIFDYGXLOBVGJ-HNNXBMFYSA-N 1 1 345.443 3.353 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCOc3ccc(F)cc32)c1 ZINC000273474272 456233517 /nfs/dbraw/zinc/23/35/17/456233517.db2.gz KJYXKMKCQHVSPO-BDJLRTHQSA-N 1 1 345.370 3.492 20 10 EGCDMO COCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCCC1 ZINC000273603114 456241603 /nfs/dbraw/zinc/24/16/03/456241603.db2.gz SJGQFNPDLMGLNP-AWEZNQCLSA-N 1 1 335.444 3.426 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)cc1F ZINC000291161847 456549909 /nfs/dbraw/zinc/54/99/09/456549909.db2.gz CLJNAWBCAUXIEZ-CQSZACIVSA-N 1 1 330.394 3.121 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1F ZINC000291161847 456549915 /nfs/dbraw/zinc/54/99/15/456549915.db2.gz CLJNAWBCAUXIEZ-CQSZACIVSA-N 1 1 330.394 3.121 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000283536028 456798589 /nfs/dbraw/zinc/79/85/89/456798589.db2.gz GSNSBQJINVRVFH-DOTOQJQBSA-N 1 1 345.487 3.329 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000283697898 456825665 /nfs/dbraw/zinc/82/56/65/456825665.db2.gz QHLHGDRABAHTGW-OAHLLOKOSA-N 1 1 333.476 3.187 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1OC ZINC000292096116 456853154 /nfs/dbraw/zinc/85/31/54/456853154.db2.gz OKFOTGVBFXHWCY-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)cc1OC ZINC000292096116 456853160 /nfs/dbraw/zinc/85/31/60/456853160.db2.gz OKFOTGVBFXHWCY-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000352126241 457340531 /nfs/dbraw/zinc/34/05/31/457340531.db2.gz QZBYDJULPOASIV-IJEWVQPXSA-N 1 1 327.472 3.364 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCCN(c3ncccc3F)CC2)cc1C ZINC000363841227 457454188 /nfs/dbraw/zinc/45/41/88/457454188.db2.gz CYOGKFQXIYYEKT-UHFFFAOYSA-N 1 1 329.419 3.255 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000363862381 457456460 /nfs/dbraw/zinc/45/64/60/457456460.db2.gz YWACRISIESXXDW-YUTCNCBUSA-N 1 1 339.277 3.432 20 10 EGCDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000364300650 457554395 /nfs/dbraw/zinc/55/43/95/457554395.db2.gz LSYSHGVTWUAVRN-GFCCVEGCSA-N 1 1 325.368 3.302 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)c1ccc(Br)cc1[O-] ZINC000370393063 457638252 /nfs/dbraw/zinc/63/82/52/457638252.db2.gz AAWPDKZAIQGIFP-CABZTGNLSA-N 1 1 336.233 3.086 20 10 EGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000371466548 457946726 /nfs/dbraw/zinc/94/67/26/457946726.db2.gz PXECERUOFMQMPH-GFCCVEGCSA-N 1 1 332.835 3.421 20 10 EGCDMO CC[C@H]([NH2+]Cc1ccc(-n2ccnc2)nc1)c1ccc(F)cc1O ZINC000367520435 457961210 /nfs/dbraw/zinc/96/12/10/457961210.db2.gz WOHGUKUHFCKWNA-INIZCTEOSA-N 1 1 326.375 3.353 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1O ZINC000369722603 458325813 /nfs/dbraw/zinc/32/58/13/458325813.db2.gz SLDFLHVOLMGAKR-UHFFFAOYSA-N 1 1 338.879 3.362 20 10 EGCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000269714402 547341867 /nfs/dbraw/zinc/34/18/67/547341867.db2.gz RVZUKEVEYMEIJT-HXUWFJFHSA-N 1 1 341.499 3.310 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000727225926 574654964 /nfs/dbraw/zinc/65/49/64/574654964.db2.gz RVLUPSILAYQCQY-MRXNPFEDSA-N 1 1 334.508 3.062 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000729596449 574872685 /nfs/dbraw/zinc/87/26/85/574872685.db2.gz BASXUICFGDRUOW-GOSISDBHSA-N 1 1 346.519 3.064 20 10 EGCDMO Cc1cc(NC(=O)CC[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731847050 575212347 /nfs/dbraw/zinc/21/23/47/575212347.db2.gz BJSBWDCPZMJMTR-UHFFFAOYSA-N 1 1 343.427 3.462 20 10 EGCDMO CC[C@H](CNC(=O)C1=CC(=O)CS1)[N@@H+]1CCc2ccccc2C1 ZINC000732268401 575250936 /nfs/dbraw/zinc/25/09/36/575250936.db2.gz FPWCCYGSXYAGPW-OAHLLOKOSA-N 1 1 330.453 3.020 20 10 EGCDMO CC[C@H](CNC(=O)C1=CC(=O)CS1)[N@H+]1CCc2ccccc2C1 ZINC000732268401 575250940 /nfs/dbraw/zinc/25/09/40/575250940.db2.gz FPWCCYGSXYAGPW-OAHLLOKOSA-N 1 1 330.453 3.020 20 10 EGCDMO COc1ccc2ccc(O)c(CN3CC[NH+](C4CCC4)CC3)c2c1 ZINC000733296699 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785540476 1305373544 /nfs/dbraw/zinc/37/35/44/1305373544.db2.gz JXRUGXSNELNRQV-KNHMANMVSA-N 1 1 325.836 3.230 20 10 EGCDMO Cc1nn(C)c(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)c1Cl ZINC000892729263 1305526052 /nfs/dbraw/zinc/52/60/52/1305526052.db2.gz JLTUQRVGAOJZOS-CYBMUJFWSA-N 1 1 348.878 3.069 20 10 EGCDMO C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000788689310 1305998607 /nfs/dbraw/zinc/99/86/07/1305998607.db2.gz VMPKMQKMWVIOJR-CPCISQLKSA-N 1 1 331.256 3.375 20 10 EGCDMO CC(C)c1cccc2c1CC[N@@H+](Cc1cc3c(cc1O)OC[C@H]3O)C2 ZINC000788785032 1306015867 /nfs/dbraw/zinc/01/58/67/1306015867.db2.gz OZTJONABDSQGSK-HXUWFJFHSA-N 1 1 339.435 3.500 20 10 EGCDMO COCCn1cc(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)cn1 ZINC000788825309 1306021982 /nfs/dbraw/zinc/02/19/82/1306021982.db2.gz YDYMIRDTLSDWBW-NSHDSACASA-N 1 1 343.349 3.105 20 10 EGCDMO CCCCC[C@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000789575054 1306187033 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CC(C)COC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815564995 1319015538 /nfs/dbraw/zinc/01/55/38/1319015538.db2.gz ZSNOMSLHMNTGGF-RYUDHWBXSA-N 1 1 335.366 3.095 20 10 EGCDMO C[C@H]([NH2+][C@@H](CCO)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815616343 1319029440 /nfs/dbraw/zinc/02/94/40/1319029440.db2.gz MAYJTRIDHWUBFZ-NHYWBVRUSA-N 1 1 347.377 3.239 20 10 EGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)Cc1ccc(F)cc1 ZINC000816538387 1319178611 /nfs/dbraw/zinc/17/86/11/1319178611.db2.gz PNHRRLMBVDKYOW-GFCCVEGCSA-N 1 1 341.785 3.265 20 10 EGCDMO CC(C)([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NCC1CCCC1 ZINC000816558902 1319182827 /nfs/dbraw/zinc/18/28/27/1319182827.db2.gz PPZBIABNJNSJEA-UHFFFAOYSA-N 1 1 342.842 3.359 20 10 EGCDMO CN(C)CC[N@@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816610687 1319193755 /nfs/dbraw/zinc/19/37/55/1319193755.db2.gz UNSJVLBFBIUFJG-SFHVURJKSA-N 1 1 328.456 3.088 20 10 EGCDMO CN(C)CC[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816610687 1319193760 /nfs/dbraw/zinc/19/37/60/1319193760.db2.gz UNSJVLBFBIUFJG-SFHVURJKSA-N 1 1 328.456 3.088 20 10 EGCDMO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817937977 1319464835 /nfs/dbraw/zinc/46/48/35/1319464835.db2.gz AVJBJCYIEPTHSZ-HNAYVOBHSA-N 1 1 327.472 3.420 20 10 EGCDMO COc1ccc2c(c1)[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817938507 1319466055 /nfs/dbraw/zinc/46/60/55/1319466055.db2.gz LTUUGVUOVJDPOW-RTWAWAEBSA-N 1 1 339.483 3.428 20 10 EGCDMO COC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939277 1319467001 /nfs/dbraw/zinc/46/70/01/1319467001.db2.gz AYKCILYNDBYFCA-MOPGFXCFSA-N 1 1 347.890 3.383 20 10 EGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938697 1319467245 /nfs/dbraw/zinc/46/72/45/1319467245.db2.gz QIRLBJVNXZNCHU-AUUYWEPGSA-N 1 1 325.456 3.038 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817943553 1319469792 /nfs/dbraw/zinc/46/97/92/1319469792.db2.gz VJQVRKTVBZERCF-RBUKOAKNSA-N 1 1 325.456 3.125 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942554 1319470437 /nfs/dbraw/zinc/47/04/37/1319470437.db2.gz PMYRGEYVVMGTGA-KDOFPFPSSA-N 1 1 342.443 3.320 20 10 EGCDMO CC[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817967529 1319480040 /nfs/dbraw/zinc/48/00/40/1319480040.db2.gz JYYWSKGPKANKLB-CQSZACIVSA-N 1 1 325.250 3.115 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(Br)cc1[O-] ZINC000817986182 1319487124 /nfs/dbraw/zinc/48/71/24/1319487124.db2.gz JISAVSJKEGQABV-FMCLSXCISA-N 1 1 339.277 3.193 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000824555258 1320264730 /nfs/dbraw/zinc/26/47/30/1320264730.db2.gz CZWKIFTUABAJFD-INIZCTEOSA-N 1 1 348.830 3.228 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)cc1Cl ZINC000824555258 1320264736 /nfs/dbraw/zinc/26/47/36/1320264736.db2.gz CZWKIFTUABAJFD-INIZCTEOSA-N 1 1 348.830 3.228 20 10 EGCDMO CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291549 /nfs/dbraw/zinc/29/15/49/1320291549.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291554 /nfs/dbraw/zinc/29/15/54/1320291554.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855922 1320291558 /nfs/dbraw/zinc/29/15/58/1320291558.db2.gz SAIHTHCMAALNQU-SWLSCSKDSA-N 1 1 341.293 3.459 20 10 EGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000826048171 1320380640 /nfs/dbraw/zinc/38/06/40/1320380640.db2.gz FMRLOXXXFAUILE-ZNMIVQPWSA-N 1 1 340.261 3.280 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000838732357 1320809698 /nfs/dbraw/zinc/80/96/98/1320809698.db2.gz HDUOICXVOLRCRG-UHFFFAOYSA-N 1 1 333.476 3.188 20 10 EGCDMO COC(=O)c1cccc2c1CC[N@@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000840157352 1321040860 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3.241 20 10 EGCDMO C[C@@H]1NCCC[C@@H]1[NH2+]Cc1ccc(OCc2ccccc2)cc1O ZINC000841064561 1321211761 /nfs/dbraw/zinc/21/17/61/1321211761.db2.gz YONRTFOWYAUIFF-KXBFYZLASA-N 1 1 326.440 3.201 20 10 EGCDMO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841086397 1321215900 /nfs/dbraw/zinc/21/59/00/1321215900.db2.gz AEEFADODQWYIJY-QGZVFWFLSA-N 1 1 334.464 3.048 20 10 EGCDMO Nc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000841301812 1321250131 /nfs/dbraw/zinc/25/01/31/1321250131.db2.gz DKSAALFVBUPFDL-UHFFFAOYSA-N 1 1 342.418 3.148 20 10 EGCDMO Nc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000841301812 1321250135 /nfs/dbraw/zinc/25/01/35/1321250135.db2.gz DKSAALFVBUPFDL-UHFFFAOYSA-N 1 1 342.418 3.148 20 10 EGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)OCCCF ZINC000841492718 1321279197 /nfs/dbraw/zinc/27/91/97/1321279197.db2.gz AYMLBADUCMRHPO-CQSZACIVSA-N 1 1 344.814 3.096 20 10 EGCDMO CN(C)C(=O)c1ccccc1C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000841828678 1321320326 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CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c(O)c1 ZINC000843422901 1321516768 /nfs/dbraw/zinc/51/67/68/1321516768.db2.gz YIVZYVHLOPROQV-HXUWFJFHSA-N 1 1 327.424 3.057 20 10 EGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2cccc(OC)c2O)s1 ZINC000846171368 1321774024 /nfs/dbraw/zinc/77/40/24/1321774024.db2.gz FZAKGHBNZAUGDJ-VHSXEESVSA-N 1 1 336.413 3.056 20 10 EGCDMO CC[N@@H+](CCCNC(=O)NCCc1ccc(N)cc1)C1CCCCC1 ZINC000846175137 1321774648 /nfs/dbraw/zinc/77/46/48/1321774648.db2.gz XALOTUQCFOVLET-UHFFFAOYSA-N 1 1 346.519 3.155 20 10 EGCDMO CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000846824316 1321813172 /nfs/dbraw/zinc/81/31/72/1321813172.db2.gz MCTRJWDBIOHKSK-UHFFFAOYSA-N 1 1 340.423 3.446 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000847443849 1321871940 /nfs/dbraw/zinc/87/19/40/1321871940.db2.gz FGIOJYUIGIOIAP-ROUUACIJSA-N 1 1 345.487 3.331 20 10 EGCDMO CCc1cccc(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000848881602 1322026892 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Cc1cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)ccc1N(C)C ZINC000294605980 455821344 /nfs/dbraw/zinc/82/13/44/455821344.db2.gz NXCSSHWYEVMVJG-GOSISDBHSA-N 1 1 330.501 3.085 20 10 EGCDMO CC[N@@H+](Cc1cccnc1N)Cc1cc(Br)ccc1O ZINC000294841654 455830188 /nfs/dbraw/zinc/83/01/88/455830188.db2.gz BMQUDOFXMWMMCQ-UHFFFAOYSA-N 1 1 336.233 3.154 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3C[C@@H](C)O)cc2)CC1 ZINC000294946696 455833461 /nfs/dbraw/zinc/83/34/61/455833461.db2.gz LRYJVKIILOJJMK-APWZRJJASA-N 1 1 332.488 3.037 20 10 EGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397834 455835226 /nfs/dbraw/zinc/83/52/26/455835226.db2.gz NQOUKVFESVVSGU-LLVKDONJSA-N 1 1 348.321 3.472 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278481970 455838048 /nfs/dbraw/zinc/83/80/48/455838048.db2.gz JPMQSRSIQBOIRZ-CYBMUJFWSA-N 1 1 346.383 3.175 20 10 EGCDMO COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278575068 455840493 /nfs/dbraw/zinc/84/04/93/455840493.db2.gz DJFZTLGNDITTOX-GFCCVEGCSA-N 1 1 346.383 3.477 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000295374639 455848092 /nfs/dbraw/zinc/84/80/92/455848092.db2.gz POPKZBOJTIYYIH-NSHDSACASA-N 1 1 335.839 3.176 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000278862910 455850737 /nfs/dbraw/zinc/85/07/37/455850737.db2.gz MAXRHKLPVYAOLN-JTQLQIEISA-N 1 1 347.327 3.068 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278893963 455851431 /nfs/dbraw/zinc/85/14/31/455851431.db2.gz QDWRSGGWPAWPTR-LLVKDONJSA-N 1 1 334.347 3.169 20 10 EGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000279726732 455871594 /nfs/dbraw/zinc/87/15/94/455871594.db2.gz MYRBULZSOCBGIN-HXUWFJFHSA-N 1 1 341.499 3.262 20 10 EGCDMO COc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000272200540 455874551 /nfs/dbraw/zinc/87/45/51/455874551.db2.gz OKRXSQUJFQKNJU-QFBILLFUSA-N 1 1 340.467 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ZINC000273456022 456231359 /nfs/dbraw/zinc/23/13/59/456231359.db2.gz PQKOMPJAKBZHKJ-CMPLNLGQSA-N 1 1 334.441 3.398 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1C ZINC000273476574 456233620 /nfs/dbraw/zinc/23/36/20/456233620.db2.gz KWARFAPDXSJBKH-ZYSHUDEJSA-N 1 1 332.488 3.037 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(CCO)CCCCC2)c1 ZINC000273619943 456240646 /nfs/dbraw/zinc/24/06/46/456240646.db2.gz YSJYQSFBZHMTFA-CQSZACIVSA-N 1 1 335.444 3.162 20 10 EGCDMO CC(C)[N@H+](Cc1ccc(C(N)=O)cc1)Cc1ccc(N(C)C)cc1 ZINC000298694450 456517971 /nfs/dbraw/zinc/51/79/71/456517971.db2.gz FFKXAKSWXAOMDO-UHFFFAOYSA-N 1 1 325.456 3.262 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@]12CCOC2 ZINC000282469566 456523467 /nfs/dbraw/zinc/52/34/67/456523467.db2.gz WDZMSFAONREFKZ-HXUWFJFHSA-N 1 1 325.408 3.051 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@]12CCOC2 ZINC000282469566 456523475 /nfs/dbraw/zinc/52/34/75/456523475.db2.gz WDZMSFAONREFKZ-HXUWFJFHSA-N 1 1 325.408 3.051 20 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COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cccc(OC)c1O)C2 ZINC000367957425 458000745 /nfs/dbraw/zinc/00/07/45/458000745.db2.gz PURSDFJPJBJQRK-UHFFFAOYSA-N 1 1 325.408 3.457 20 10 EGCDMO Cc1cccc(CNc2cccc3c2CC[N@@H+](CC(C)(C)O)C3)c1O ZINC000371811433 458083630 /nfs/dbraw/zinc/08/36/30/458083630.db2.gz VTEMEEZUNRQHNA-UHFFFAOYSA-N 1 1 340.467 3.442 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000376382853 458284070 /nfs/dbraw/zinc/28/40/70/458284070.db2.gz FFWHFEGEFRUALI-UHFFFAOYSA-N 1 1 334.435 3.042 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[O-] ZINC000376382853 458284076 /nfs/dbraw/zinc/28/40/76/458284076.db2.gz FFWHFEGEFRUALI-UHFFFAOYSA-N 1 1 334.435 3.042 20 10 EGCDMO CCn1ncnc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000377159735 458478225 /nfs/dbraw/zinc/47/82/25/458478225.db2.gz ZADJCKMRLLLQOA-UHFFFAOYSA-N 1 1 347.466 3.151 20 10 EGCDMO CS(=O)(=O)c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)co1 ZINC000528384833 459804526 /nfs/dbraw/zinc/80/45/26/459804526.db2.gz XPQPVQSBPMXKNQ-UHFFFAOYSA-N 1 1 349.452 3.334 20 10 EGCDMO CS(=O)(=O)c1cc(C[N@@H+](Cc2ccccc2O)C2CCCC2)co1 ZINC000528384833 459804531 /nfs/dbraw/zinc/80/45/31/459804531.db2.gz XPQPVQSBPMXKNQ-UHFFFAOYSA-N 1 1 349.452 3.334 20 10 EGCDMO C[C@@H]1CCC[C@H](C)C[N@@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000741807110 576724035 /nfs/dbraw/zinc/72/40/35/576724035.db2.gz UYBJTXRUFHSNEQ-DLBZAZTESA-N 1 1 331.504 3.222 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1C ZINC000742159691 576753491 /nfs/dbraw/zinc/75/34/91/576753491.db2.gz SMSIMQGBHNXSQY-OAHLLOKOSA-N 1 1 334.460 3.450 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[N@H+](C)[C@H](C)C1 ZINC000742197715 576757687 /nfs/dbraw/zinc/75/76/87/576757687.db2.gz VJVFZZBPXJZKEF-QGZVFWFLSA-N 1 1 325.456 3.179 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[N@@H+](C)[C@H](C)C1 ZINC000742197715 576757690 /nfs/dbraw/zinc/75/76/90/576757690.db2.gz VJVFZZBPXJZKEF-QGZVFWFLSA-N 1 1 325.456 3.179 20 10 EGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC[N@@H+]1C ZINC000708090812 1298234665 /nfs/dbraw/zinc/23/46/65/1298234665.db2.gz SCBWWWJBEZTFKE-CABZTGNLSA-N 1 1 347.684 3.380 20 10 EGCDMO C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC[N@H+]1C ZINC000708090812 1298234677 /nfs/dbraw/zinc/23/46/77/1298234677.db2.gz SCBWWWJBEZTFKE-CABZTGNLSA-N 1 1 347.684 3.380 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@H](C)C1 ZINC000877473916 1299326376 /nfs/dbraw/zinc/32/63/76/1299326376.db2.gz NNLGYLVUKCXERG-FXAWDEMLSA-N 1 1 346.515 3.285 20 10 EGCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000054511067 1291753626 /nfs/dbraw/zinc/75/36/26/1291753626.db2.gz JWOHYJLDRDVWOJ-GOSISDBHSA-N 1 1 346.519 3.064 20 10 EGCDMO CCn1cc(C[N@@H+](C)Cc2ccc(N3CCC(OC)CC3)cc2)cn1 ZINC000827821046 1292381564 /nfs/dbraw/zinc/38/15/64/1292381564.db2.gz ISGGINYZHOTCTG-UHFFFAOYSA-N 1 1 342.487 3.150 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)NCCc1cccs1 ZINC000076074421 1292418260 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EGCDMO Cc1cc(C(=O)CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c(C)n1-c1ccccc1 ZINC000768771718 1302975090 /nfs/dbraw/zinc/97/50/90/1302975090.db2.gz KZARLPLVKQZJLJ-DLBZAZTESA-N 1 1 339.483 3.301 20 10 EGCDMO Cc1cc(C(=O)CN2C[C@H](C)[N@H+](C)C[C@H]2C)c(C)n1-c1ccccc1 ZINC000768771718 1302975096 /nfs/dbraw/zinc/97/50/96/1302975096.db2.gz KZARLPLVKQZJLJ-DLBZAZTESA-N 1 1 339.483 3.301 20 10 EGCDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000769107037 1303047971 /nfs/dbraw/zinc/04/79/71/1303047971.db2.gz JEYDHSAHEPHGPT-QLFBSQMISA-N 1 1 338.879 3.119 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)Nc2cc(C)ccn2)cc1 ZINC000769229560 1303077114 /nfs/dbraw/zinc/07/71/14/1303077114.db2.gz NJENCBOBICVVFW-UHFFFAOYSA-N 1 1 340.471 3.307 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)Nc2cc(C)ccn2)cc1 ZINC000769229560 1303077118 /nfs/dbraw/zinc/07/71/18/1303077118.db2.gz NJENCBOBICVVFW-UHFFFAOYSA-N 1 1 340.471 3.307 20 10 EGCDMO COc1cccc(O)c1C[NH+]1CCN(C(=O)CC2CCCCC2)CC1 ZINC000769234552 1303077570 /nfs/dbraw/zinc/07/75/70/1303077570.db2.gz VBKFCARYSBABPO-UHFFFAOYSA-N 1 1 346.471 3.015 20 10 EGCDMO COc1cccc(C[N@H+]2CCN(Cc3ccccc3)C(C)(C)C2)c1O ZINC000769333743 1303093383 /nfs/dbraw/zinc/09/33/83/1303093383.db2.gz KEBRGRYISUQXNF-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(CN2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1O ZINC000769333743 1303093389 /nfs/dbraw/zinc/09/33/89/1303093389.db2.gz KEBRGRYISUQXNF-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1O ZINC000769333743 1303093394 /nfs/dbraw/zinc/09/33/94/1303093394.db2.gz KEBRGRYISUQXNF-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO C[N@@H+](Cc1c(O)cccc1Cl)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769334013 1303095438 /nfs/dbraw/zinc/09/54/38/1303095438.db2.gz MYROBXIEIFCRLI-GFCCVEGCSA-N 1 1 340.851 3.487 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000769402159 1303107237 /nfs/dbraw/zinc/10/72/37/1303107237.db2.gz WBFQYNGRKNVMCF-CYBMUJFWSA-N 1 1 339.455 3.237 20 10 EGCDMO Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccccc2O)cn1 ZINC000770509495 1303278696 /nfs/dbraw/zinc/27/86/96/1303278696.db2.gz BEHDRGPPBRCQRI-LJQANCHMSA-N 1 1 325.387 3.486 20 10 EGCDMO C[C@@H]1C[C@H]1c1ccc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000771823455 1303446767 /nfs/dbraw/zinc/44/67/67/1303446767.db2.gz CMGNAHSOZNJOHM-OXQOHEQNSA-N 1 1 339.483 3.445 20 10 EGCDMO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2c(O)cccc2F)c1 ZINC000886545883 1303494400 /nfs/dbraw/zinc/49/44/00/1303494400.db2.gz URMDAKBLPBLFHZ-LBPRGKRZSA-N 1 1 332.375 3.219 20 10 EGCDMO C[C@H](CNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[N@H+]1CCCC[C@@H]1C ZINC000773198712 1303642022 /nfs/dbraw/zinc/64/20/22/1303642022.db2.gz OLZUZEIXODSNFA-BBWFWOEESA-N 1 1 346.519 3.376 20 10 EGCDMO CCN(C)c1ccc(C[NH+]2CCN(Cc3csc(C)n3)CC2)cc1 ZINC000773733764 1303731065 /nfs/dbraw/zinc/73/10/65/1303731065.db2.gz MCHYWZBQDUJYSO-UHFFFAOYSA-N 1 1 344.528 3.225 20 10 EGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)CC)cc2)C1 ZINC000773748527 1303734030 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EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)OC)C2)c(O)c1 ZINC000779604134 1304586683 /nfs/dbraw/zinc/58/66/83/1304586683.db2.gz HNCUOQNVUWFMQQ-OAHLLOKOSA-N 1 1 335.444 3.202 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCCC3(CCCC3)C2)cc1 ZINC000782637286 1304996669 /nfs/dbraw/zinc/99/66/69/1304996669.db2.gz QAFRUOUFXFTBOQ-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO COc1ccc(C[N@H+]2CCOc3ccccc3[C@@H]2C)c(O)c1OC ZINC000891748591 1305155266 /nfs/dbraw/zinc/15/52/66/1305155266.db2.gz QYHADVKNHMUURV-ZDUSSCGKSA-N 1 1 329.396 3.365 20 10 EGCDMO COc1ccc(C[N@H+]2CCOC3(C2)CCCCCC3)c(O)c1OC ZINC000892143013 1305266892 /nfs/dbraw/zinc/26/68/92/1305266892.db2.gz IXGJGALFNUCQKT-UHFFFAOYSA-N 1 1 335.444 3.335 20 10 EGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787239913 1305716108 /nfs/dbraw/zinc/71/61/08/1305716108.db2.gz PJTZAFKVWSLRMF-IUODEOHRSA-N 1 1 335.444 3.082 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(O)c1 ZINC000787288717 1305726767 /nfs/dbraw/zinc/72/67/67/1305726767.db2.gz BGBLOAJGZVRXAH-MRXNPFEDSA-N 1 1 346.402 3.368 20 10 EGCDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000787422666 1305743316 /nfs/dbraw/zinc/74/33/16/1305743316.db2.gz IJLKWSUALBWGPN-KPFFTGBYSA-N 1 1 336.435 3.145 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1cc(F)cc(F)c1O ZINC000894018973 1306177278 /nfs/dbraw/zinc/17/72/78/1306177278.db2.gz DDCSBFNIXMSRPL-SNVBAGLBSA-N 1 1 330.375 3.015 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1cc(F)cc(F)c1O ZINC000894018973 1306177280 /nfs/dbraw/zinc/17/72/80/1306177280.db2.gz DDCSBFNIXMSRPL-SNVBAGLBSA-N 1 1 330.375 3.015 20 10 EGCDMO Oc1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000894073263 1306202041 /nfs/dbraw/zinc/20/20/41/1306202041.db2.gz ULOWZDHCTOCEKY-MNOVXSKESA-N 1 1 344.224 3.152 20 10 EGCDMO Oc1c(F)cc(Br)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000894073263 1306202046 /nfs/dbraw/zinc/20/20/46/1306202046.db2.gz ULOWZDHCTOCEKY-MNOVXSKESA-N 1 1 344.224 3.152 20 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1309318235 /nfs/dbraw/zinc/31/82/35/1309318235.db2.gz QCKUTHIQXAVKIB-IAQYHMDHSA-N 1 1 340.261 3.462 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214694 1309318240 /nfs/dbraw/zinc/31/82/40/1309318240.db2.gz QCKUTHIQXAVKIB-IAQYHMDHSA-N 1 1 340.261 3.462 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793608119 1309415760 /nfs/dbraw/zinc/41/57/60/1309415760.db2.gz HTASTENOCPIXIM-ZIAGYGMSSA-N 1 1 326.234 3.298 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000793608119 1309415763 /nfs/dbraw/zinc/41/57/63/1309415763.db2.gz HTASTENOCPIXIM-ZIAGYGMSSA-N 1 1 326.234 3.298 20 10 EGCDMO C[N@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1(CO)CC1 ZINC000796502493 1310015516 /nfs/dbraw/zinc/01/55/16/1310015516.db2.gz UARZKDNVMZHMDH-UHFFFAOYSA-N 1 1 338.411 3.497 20 10 EGCDMO C[N@@H+](CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)C1(CO)CC1 ZINC000796502493 1310015526 /nfs/dbraw/zinc/01/55/26/1310015526.db2.gz UARZKDNVMZHMDH-UHFFFAOYSA-N 1 1 338.411 3.497 20 10 EGCDMO 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CCOCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278905951 455853065 /nfs/dbraw/zinc/85/30/65/455853065.db2.gz RVBSPQVXAHJRSF-UHFFFAOYSA-N 1 1 346.383 3.135 20 10 EGCDMO CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583048 455853703 /nfs/dbraw/zinc/85/37/03/455853703.db2.gz SFBZFZXNQVCKIQ-WMZOPIPTSA-N 1 1 332.488 3.301 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769304 455872705 /nfs/dbraw/zinc/87/27/05/455872705.db2.gz NACHOGXJWHAKKC-HNNXBMFYSA-N 1 1 327.424 3.315 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328291 455915444 /nfs/dbraw/zinc/91/54/44/455915444.db2.gz VONLOZAXGOFUSP-WFASDCNBSA-N 1 1 338.423 3.266 20 10 EGCDMO CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(F)cc1O ZINC000286114369 455979873 /nfs/dbraw/zinc/97/98/73/455979873.db2.gz NUSQFBGRGVMKRI-QGZVFWFLSA-N 1 1 346.402 3.011 20 10 EGCDMO C[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672313 456034722 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CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000290070183 456231795 /nfs/dbraw/zinc/23/17/95/456231795.db2.gz FTCHIVJKEQLYSP-HNNXBMFYSA-N 1 1 328.250 3.139 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c1 ZINC000273467747 456233355 /nfs/dbraw/zinc/23/33/55/456233355.db2.gz JCLIFDDGBMDUBP-LLVKDONJSA-N 1 1 333.359 3.177 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000273611430 456241128 /nfs/dbraw/zinc/24/11/28/456241128.db2.gz WBGZFLSEKCJAHP-CYBMUJFWSA-N 1 1 328.412 3.096 20 10 EGCDMO C[N@@H+](Cc1cc(-c2ccccc2)ccc1O)CC1(O)CCOCC1 ZINC000276064820 456381159 /nfs/dbraw/zinc/38/11/59/456381159.db2.gz VQFLKILWEBBTKV-UHFFFAOYSA-N 1 1 327.424 3.033 20 10 EGCDMO Cc1cc(NC(=O)CC[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000298721322 456525896 /nfs/dbraw/zinc/52/58/96/456525896.db2.gz LIZIBPLPHXSKRW-UHFFFAOYSA-N 1 1 344.459 3.288 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000349382834 456960149 /nfs/dbraw/zinc/96/01/49/456960149.db2.gz 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CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(Br)cc1O ZINC000691677314 1298136005 /nfs/dbraw/zinc/13/60/05/1298136005.db2.gz NASZYYPSMDRZJF-BOOVAVIHSA-N 1 1 338.245 3.010 20 10 EGCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(Br)cc1O ZINC000691677325 1298136164 /nfs/dbraw/zinc/13/61/64/1298136164.db2.gz NASZYYPSMDRZJF-XNHOIOAFSA-N 1 1 338.245 3.010 20 10 EGCDMO Cc1cc(Br)cc(CN2CCC[C@H]([C@H](C)[NH3+])C2)c1O ZINC000843052018 1321461731 /nfs/dbraw/zinc/46/17/31/1321461731.db2.gz OCJHYFUBQBKJIP-RYUDHWBXSA-N 1 1 327.266 3.022 20 10 EGCDMO CCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000827866510 1292389251 /nfs/dbraw/zinc/38/92/51/1292389251.db2.gz MIRAUALHRKTGOW-FQEVSTJZSA-N 1 1 332.488 3.303 20 10 EGCDMO COc1cc(N(C)C[C@@H]2CCCC[N@H+]2C(C)C)cc(OC)c1OC ZINC000827883652 1292393372 /nfs/dbraw/zinc/39/33/72/1292393372.db2.gz LYTQJNUNKPQWOM-HNNXBMFYSA-N 1 1 336.476 3.412 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)cc1F ZINC000091923425 1292848353 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CCCN1C[C@H](C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1=O ZINC000817588799 1319409046 /nfs/dbraw/zinc/40/90/46/1319409046.db2.gz KIMXYAUNFRGHPH-NEPJUHHUSA-N 1 1 344.377 3.320 20 10 EGCDMO COc1cc(C)ccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000817937976 1319464377 /nfs/dbraw/zinc/46/43/77/1319464377.db2.gz AVJBJCYIEPTHSZ-DNVCBOLYSA-N 1 1 327.472 3.420 20 10 EGCDMO COc1ccc(C)cc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939100 1319467136 /nfs/dbraw/zinc/46/71/36/1319467136.db2.gz YWVUXMIWZXWCRF-BEFAXECRSA-N 1 1 327.472 3.420 20 10 EGCDMO CCc1nc2c(s1)[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939322 1319467887 /nfs/dbraw/zinc/46/78/87/1319467887.db2.gz BBIPHVHXZMHHAX-JKSUJKDBSA-N 1 1 344.528 3.439 20 10 EGCDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942600 1319470453 /nfs/dbraw/zinc/47/04/53/1319470453.db2.gz PUZBYLFZUKRYMZ-OALUTQOASA-N 1 1 331.410 3.308 20 10 EGCDMO C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817965876 1319479264 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QMHIFAPVKYMGJF-CXAGYDPISA-N 1 1 325.836 3.124 20 10 EGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934840 1320372112 /nfs/dbraw/zinc/37/21/12/1320372112.db2.gz LKCTZPRLGBWOAD-KBXCAEBGSA-N 1 1 334.504 3.470 20 10 EGCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826017876 1320378794 /nfs/dbraw/zinc/37/87/94/1320378794.db2.gz XRSOQEFQBOCKFD-MRXNPFEDSA-N 1 1 342.277 3.385 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@H](CF)C1 ZINC000840954113 1321185329 /nfs/dbraw/zinc/18/53/29/1321185329.db2.gz GIZSUCMILHTHHM-GOSISDBHSA-N 1 1 331.387 3.142 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@H](CF)C1 ZINC000840954113 1321185332 /nfs/dbraw/zinc/18/53/32/1321185332.db2.gz GIZSUCMILHTHHM-GOSISDBHSA-N 1 1 331.387 3.142 20 10 EGCDMO [NH3+]C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C1CCCCC1 ZINC000841039609 1321206823 /nfs/dbraw/zinc/20/68/23/1321206823.db2.gz WIVBYVVOEFTCQT-AWEZNQCLSA-N 1 1 327.266 3.152 20 10 EGCDMO CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc3cc(F)ccc3o2)cc1 ZINC000841044711 1321208209 /nfs/dbraw/zinc/20/82/09/1321208209.db2.gz XRTLJGDQAQOARF-SFHVURJKSA-N 1 1 327.403 3.428 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCc3cc(N)ccc32)ccc1[N+](=O)[O-] ZINC000841059369 1321210821 /nfs/dbraw/zinc/21/08/21/1321210821.db2.gz QRQCBWLQZKGLQQ-OAHLLOKOSA-N 1 1 343.383 3.058 20 10 EGCDMO C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(Cl)cc1O ZINC000841748679 1321306357 /nfs/dbraw/zinc/30/63/57/1321306357.db2.gz YAXDXJVXJJLFLN-LBPRGKRZSA-N 1 1 348.830 3.222 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000841763390 1321309045 /nfs/dbraw/zinc/30/90/45/1321309045.db2.gz WZULBDMIIMDQCQ-CZUORRHYSA-N 1 1 335.444 3.161 20 10 EGCDMO C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1[NH3+] ZINC000843051439 1321461942 /nfs/dbraw/zinc/46/19/42/1321461942.db2.gz HTVFUPYJQYXUKL-HNAYVOBHSA-N 1 1 326.440 3.140 20 10 EGCDMO CCCN(C(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H]1CC[N@@H+](C)C1 ZINC000843991447 1321564636 /nfs/dbraw/zinc/56/46/36/1321564636.db2.gz KAEUYCAFHXYRPZ-QGZVFWFLSA-N 1 1 340.471 3.045 20 10 EGCDMO O=C(NCc1cc(Cl)ccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000848242323 1321946123 /nfs/dbraw/zinc/94/61/23/1321946123.db2.gz CCHUKRUXHKREAG-HNNXBMFYSA-N 1 1 344.842 3.184 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Cl)c(Cl)cc1O ZINC000848564884 1321977048 /nfs/dbraw/zinc/97/70/48/1321977048.db2.gz RFXHNDPULFRPGN-DTWKUNHWSA-N 1 1 341.242 3.036 20 10 EGCDMO CCOc1ccc(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000849349672 1322115741 /nfs/dbraw/zinc/11/57/41/1322115741.db2.gz HNWJQIOGTLWDOP-RTBURBONSA-N 1 1 344.430 3.165 20 10 EGCDMO COc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(C)c1 ZINC000922332876 1322503888 /nfs/dbraw/zinc/50/38/88/1322503888.db2.gz KZGXZKQNNNLJHE-UHFFFAOYSA-N 1 1 339.483 3.045 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)CC3=CCCOC3)cc2)CC1 ZINC000852516476 1323202404 /nfs/dbraw/zinc/20/24/04/1323202404.db2.gz NRNRRCOAAYBDHI-UHFFFAOYSA-N 1 1 330.472 3.080 20 10 EGCDMO C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c2ncnn21 ZINC000925008329 1323243903 /nfs/dbraw/zinc/24/39/03/1323243903.db2.gz ZROCHVDJWOBGNI-YJBOKZPZSA-N 1 1 325.460 3.310 20 10 EGCDMO CN(C)c1cc(F)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1F ZINC000862250054 1329471296 /nfs/dbraw/zinc/47/12/96/1329471296.db2.gz HTFICLKUBPCDQN-OAHLLOKOSA-N 1 1 337.458 3.195 20 10 EGCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)Cc2ccccc21 ZINC000862538543 1329493934 /nfs/dbraw/zinc/49/39/34/1329493934.db2.gz TXWLUUQJDZUIKB-SFHVURJKSA-N 1 1 325.408 3.281 20 10 EGCDMO C[C@H](C[N@@H+](C)Cc1c(O)ccc2ccncc21)NC(=O)OC(C)(C)C ZINC000863332406 1329546963 /nfs/dbraw/zinc/54/69/63/1329546963.db2.gz FPXDRHLIPCZHTG-CYBMUJFWSA-N 1 1 345.443 3.285 20 10 EGCDMO CCCC[N@H+]1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CC ZINC001087844011 1359677550 /nfs/dbraw/zinc/67/75/50/1359677550.db2.gz CVFFONMUYSZCBB-JKSUJKDBSA-N 1 1 345.447 3.232 20 10 EGCDMO CCc1nc(N2CC=C(CCNC(=O)CCC3CC3)CC2)cc(C)[nH+]1 ZINC001089822494 1360679955 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CCC[N@@H+](CC)Cc1ccc(C(=O)NCCc2ccc(N)cc2)cc1 ZINC000269147708 455798677 /nfs/dbraw/zinc/79/86/77/455798677.db2.gz HYOPHFRSPLXFEV-UHFFFAOYSA-N 1 1 339.483 3.473 20 10 EGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000271915301 455799632 /nfs/dbraw/zinc/79/96/32/455799632.db2.gz NDUSYIMDCHRQKU-ZDUSSCGKSA-N 1 1 332.835 3.421 20 10 EGCDMO Cc1cc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)ccc1N(C)C ZINC000294121772 455805920 /nfs/dbraw/zinc/80/59/20/455805920.db2.gz NLCXDOGTXZOBHV-IBGZPJMESA-N 1 1 325.456 3.110 20 10 EGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000285321131 455823388 /nfs/dbraw/zinc/82/33/88/455823388.db2.gz TWNLMSVDCGYVJF-CGTJXYLNSA-N 1 1 332.488 3.037 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3[C@@H]3CCCO3)cc2)CC1 ZINC000294883633 455831236 /nfs/dbraw/zinc/83/12/36/455831236.db2.gz ALQRRMUUGSVQPZ-SFTDATJTSA-N 1 1 344.499 3.445 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2ccc(C)s2)ccc1[N+](=O)[O-] ZINC000278477432 455837448 /nfs/dbraw/zinc/83/74/48/455837448.db2.gz IQGWORBNOXPJGW-JTQLQIEISA-N 1 1 336.413 3.400 20 10 EGCDMO COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278575072 455840171 /nfs/dbraw/zinc/84/01/71/455840171.db2.gz DJFZTLGNDITTOX-LBPRGKRZSA-N 1 1 346.383 3.477 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000278922891 455852958 /nfs/dbraw/zinc/85/29/58/455852958.db2.gz VBHGTACAFSVYJP-AWEZNQCLSA-N 1 1 332.331 3.225 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@](C)(OC)C3)cc2)CC1 ZINC000295904610 455862239 /nfs/dbraw/zinc/86/22/39/455862239.db2.gz FGVDXXIWZJYZNV-FQEVSTJZSA-N 1 1 332.488 3.303 20 10 EGCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577407 455868367 /nfs/dbraw/zinc/86/83/67/455868367.db2.gz BCBBYDRFULEIOA-YLJYHZDGSA-N 1 1 330.472 3.057 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1O ZINC000279623370 455869202 /nfs/dbraw/zinc/86/92/02/455869202.db2.gz HDZVIJBMGYBGBB-HNNXBMFYSA-N 1 1 328.250 3.200 20 10 EGCDMO COc1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000272200539 455874700 /nfs/dbraw/zinc/87/47/00/455874700.db2.gz OKRXSQUJFQKNJU-LPHOPBHVSA-N 1 1 340.467 3.401 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@]3(C)CCCO)cc2)CC1 ZINC000296200944 455878880 /nfs/dbraw/zinc/87/88/80/455878880.db2.gz FIJKYNBODNTYDS-OAQYLSRUSA-N 1 1 346.515 3.429 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000285739816 455906721 /nfs/dbraw/zinc/90/67/21/455906721.db2.gz YARDQSFYRKUJCG-HNNXBMFYSA-N 1 1 349.324 3.013 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000285739816 455906729 /nfs/dbraw/zinc/90/67/29/455906729.db2.gz YARDQSFYRKUJCG-HNNXBMFYSA-N 1 1 349.324 3.013 20 10 EGCDMO CC[C@H]([NH2+]Cc1ccc(OCCO)c(OC)c1)c1ccc(F)cc1O ZINC000286091552 455975276 /nfs/dbraw/zinc/97/52/76/455975276.db2.gz MTPHNKPUSUOAAM-INIZCTEOSA-N 1 1 349.402 3.152 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000280633784 456018622 /nfs/dbraw/zinc/01/86/22/456018622.db2.gz HLZPYNATFFGLLH-SHTZXODSSA-N 1 1 328.368 3.345 20 10 EGCDMO CC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(F)cc1O ZINC000286952931 456057899 /nfs/dbraw/zinc/05/78/99/456057899.db2.gz BRESDJXPYPSBEI-LLVKDONJSA-N 1 1 327.293 3.489 20 10 EGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143622 456116410 /nfs/dbraw/zinc/11/64/10/456116410.db2.gz ALASXKHLDWQTRO-GOEBONIOSA-N 1 1 329.400 3.354 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000289143622 456116420 /nfs/dbraw/zinc/11/64/20/456116420.db2.gz ALASXKHLDWQTRO-GOEBONIOSA-N 1 1 329.400 3.354 20 10 EGCDMO CC[C@@H](COCC(F)(F)F)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000297257561 456164593 /nfs/dbraw/zinc/16/45/93/456164593.db2.gz JSRWIXGDEGWQFF-PWSUYJOCSA-N 1 1 349.349 3.187 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2([C@H](C)CCO)CCC2)c1 ZINC000273446487 456231904 /nfs/dbraw/zinc/23/19/04/456231904.db2.gz FCWGSSQWTJWVET-ZIAGYGMSSA-N 1 1 335.444 3.018 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)c1O ZINC000290320582 456290688 /nfs/dbraw/zinc/29/06/88/456290688.db2.gz CYHSZPVKBRXJQL-DOMZBBRYSA-N 1 1 341.293 3.235 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000282469563 456523546 /nfs/dbraw/zinc/52/35/46/456523546.db2.gz WDZMSFAONREFKZ-FQEVSTJZSA-N 1 1 325.408 3.051 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000282469563 456523554 /nfs/dbraw/zinc/52/35/54/456523554.db2.gz WDZMSFAONREFKZ-FQEVSTJZSA-N 1 1 325.408 3.051 20 10 EGCDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298722686 456526209 /nfs/dbraw/zinc/52/62/09/456526209.db2.gz OZRIISYVXBLXCJ-UHFFFAOYSA-N 1 1 343.471 3.215 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1O ZINC000282518321 456539752 /nfs/dbraw/zinc/53/97/52/456539752.db2.gz UFFNYUJGYRENEL-CZUORRHYSA-N 1 1 343.402 3.488 20 10 EGCDMO COc1cccc(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1O ZINC000311188447 456588003 /nfs/dbraw/zinc/58/80/03/456588003.db2.gz DFUGKKUXKVEERU-NRFANRHFSA-N 1 1 340.467 3.403 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636174 457017867 /nfs/dbraw/zinc/01/78/67/457017867.db2.gz DKWDYMPYTQQHIT-CABCVRRESA-N 1 1 335.444 3.048 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)cc1 ZINC000363880746 457459452 /nfs/dbraw/zinc/45/94/52/457459452.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000363880746 457459468 /nfs/dbraw/zinc/45/94/68/457459468.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCCN(CC[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000363880746 457459475 /nfs/dbraw/zinc/45/94/75/457459475.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCC[N@H+](CC[C@@H]3CCCCN3C)CC2)cc1 ZINC000363880746 457459479 /nfs/dbraw/zinc/45/94/79/457459479.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CC[C@@H]3CCCCN3C)CC2)cc1 ZINC000363880746 457459486 /nfs/dbraw/zinc/45/94/86/457459486.db2.gz XZTXAKDOTMCXQY-SFHVURJKSA-N 1 1 331.504 3.082 20 10 EGCDMO CCO[C@@H]1C[C@@H]([NH2+]Cc2c(O)ccc(Cl)c2F)[C@]12CCCO2 ZINC000364583404 457648048 /nfs/dbraw/zinc/64/80/48/457648048.db2.gz SQHAZBWYCXEYDB-IIAWOOMASA-N 1 1 329.799 3.001 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1O ZINC000371845591 458093980 /nfs/dbraw/zinc/09/39/80/458093980.db2.gz GIUKKFHLUCBREN-CYBMUJFWSA-N 1 1 325.836 3.303 20 10 EGCDMO COc1cccc(C[N@H+]2CCCC[C@H]2[C@H](O)c2ccccc2)c1O ZINC000362388945 458145630 /nfs/dbraw/zinc/14/56/30/458145630.db2.gz JMBKYZBMDYTTJI-PKOBYXMFSA-N 1 1 327.424 3.489 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458735215 458153354 /nfs/dbraw/zinc/15/33/54/458153354.db2.gz IPRVXUGGCCMZJG-MRXNPFEDSA-N 1 1 342.487 3.018 20 10 EGCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000727230490 574655422 /nfs/dbraw/zinc/65/54/22/574655422.db2.gz XFEQHXBZNPPNSG-KRWDZBQOSA-N 1 1 348.535 3.405 20 10 EGCDMO CC1CCC(N(C(=O)C[N@@H+](C)Cc2ccccc2O)C2CC2)CC1 ZINC000731842858 575211390 /nfs/dbraw/zinc/21/13/90/575211390.db2.gz LDVXXWLOUQWUDJ-UHFFFAOYSA-N 1 1 330.472 3.394 20 10 EGCDMO Oc1ccccc1C[N@@H+](Cc1nnc2n1CCCC2)C1CCCC1 ZINC000732204245 575244178 /nfs/dbraw/zinc/24/41/78/575244178.db2.gz GPQKXQBQXWTWEJ-UHFFFAOYSA-N 1 1 326.444 3.265 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000732241532 575248752 /nfs/dbraw/zinc/24/87/52/575248752.db2.gz LHQOGKGQPLREKI-LJQANCHMSA-N 1 1 346.519 3.206 20 10 EGCDMO CN1CCN(c2cccc(Cl)c2C[NH2+]Cc2ccccc2O)CC1 ZINC000742393494 576778543 /nfs/dbraw/zinc/77/85/43/576778543.db2.gz XQYOTGOMXBMDNO-UHFFFAOYSA-N 1 1 345.874 3.087 20 10 EGCDMO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000743352425 576806401 /nfs/dbraw/zinc/80/64/01/576806401.db2.gz ZZCZUKQRBOMXTJ-UZLBHIALSA-N 1 1 337.467 3.362 20 10 EGCDMO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000743352425 576806402 /nfs/dbraw/zinc/80/64/02/576806402.db2.gz ZZCZUKQRBOMXTJ-UZLBHIALSA-N 1 1 337.467 3.362 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H]2CN2CCOCC2)c(O)c(C(C)(C)C)c1 ZINC000743372983 576807327 /nfs/dbraw/zinc/80/73/27/576807327.db2.gz IIGGALXFZWYIPF-GOSISDBHSA-N 1 1 346.515 3.295 20 10 EGCDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1c(O)ccc2ccc(OC)cc21 ZINC000745438207 576847998 /nfs/dbraw/zinc/84/79/98/576847998.db2.gz SQHKXAZUOSAHKF-HNNXBMFYSA-N 1 1 343.423 3.472 20 10 EGCDMO Cc1ccc(O)c(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c1 ZINC000826291830 608532957 /nfs/dbraw/zinc/53/29/57/608532957.db2.gz XUILKWKLIMRMQU-UHFFFAOYSA-N 1 1 337.427 3.291 20 10 EGCDMO CN(C)[C@H](C[NH2+]Cc1cccc(Br)c1O)c1ccco1 ZINC000048795057 1291619418 /nfs/dbraw/zinc/61/94/18/1291619418.db2.gz IQDXLZDCUARFKC-CYBMUJFWSA-N 1 1 339.233 3.140 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000843052540 1321462469 /nfs/dbraw/zinc/46/24/69/1321462469.db2.gz VNABLLHUOSFTPM-RYUDHWBXSA-N 1 1 327.266 3.022 20 10 EGCDMO Cc1cc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037013 1292421215 /nfs/dbraw/zinc/42/12/15/1292421215.db2.gz RUBGVTBVZZAWKE-LEWJYISDSA-N 1 1 344.499 3.365 20 10 EGCDMO Cc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)cc1C ZINC000077441588 1292465210 /nfs/dbraw/zinc/46/52/10/1292465210.db2.gz USTZBGBKMBPUFI-UHFFFAOYSA-N 1 1 342.414 3.106 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1N1CCCCC1 ZINC000829234841 1292555930 /nfs/dbraw/zinc/55/59/30/1292555930.db2.gz VCOIDFDSRKRDTF-WAIKUNEKSA-N 1 1 334.529 3.186 20 10 EGCDMO Cc1cc(C[N@H+]2CC[S@@](=O)C[C@H](C)C2)ccc1N1CCCCC1 ZINC000829234841 1292555936 /nfs/dbraw/zinc/55/59/36/1292555936.db2.gz VCOIDFDSRKRDTF-WAIKUNEKSA-N 1 1 334.529 3.186 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[C@H](OC(=O)N(C)C)C2)ccc1N1CCCCC1 ZINC000830514326 1292726432 /nfs/dbraw/zinc/72/64/32/1292726432.db2.gz DWOBSSKLOWWZHT-SFHVURJKSA-N 1 1 345.487 3.258 20 10 EGCDMO COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2=CC(=O)CS2)cc1 ZINC000831525554 1292877385 /nfs/dbraw/zinc/87/73/85/1292877385.db2.gz PGIXIZKILBSMHO-INIZCTEOSA-N 1 1 346.452 3.029 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1F ZINC000093277951 1292913567 /nfs/dbraw/zinc/91/35/67/1292913567.db2.gz VJNIONBVXHDYCI-KRWDZBQOSA-N 1 1 347.478 3.259 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CCSC(C)(C)C2)c1O ZINC000093504310 1292922584 /nfs/dbraw/zinc/92/25/84/1292922584.db2.gz YJOXLQSVOWZIAH-UHFFFAOYSA-N 1 1 346.290 3.491 20 10 EGCDMO CCC1(CO)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000093592110 1292925665 /nfs/dbraw/zinc/92/56/65/1292925665.db2.gz QORFIDARROOIPC-UHFFFAOYSA-N 1 1 328.250 3.139 20 10 EGCDMO COC(=O)[C@H](C)C[N@@H+](Cc1cc(C(C)(C)C)cc(O)c1O)C1CC1 ZINC000102653005 1292979575 /nfs/dbraw/zinc/97/95/75/1292979575.db2.gz WZMZTJFOJGALQJ-GFCCVEGCSA-N 1 1 335.444 3.169 20 10 EGCDMO Cc1cc(C(=O)N2C[C@H]3CC[N@H+](C)[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000834315323 1293075985 /nfs/dbraw/zinc/07/59/85/1293075985.db2.gz ZYCZKFWBVXIXAB-BEFAXECRSA-N 1 1 341.430 3.009 20 10 EGCDMO C[NH+](C)CCn1ccc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000119779617 1293287312 /nfs/dbraw/zinc/28/73/12/1293287312.db2.gz AQPWWDNIXJBQGF-UHFFFAOYSA-N 1 1 329.231 3.069 20 10 EGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124920075 1293488443 /nfs/dbraw/zinc/48/84/43/1293488443.db2.gz JQDPLPCCVFWXNV-MRXNPFEDSA-N 1 1 335.467 3.020 20 10 EGCDMO COCCN(C)CCC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000153783567 1294028282 /nfs/dbraw/zinc/02/82/82/1294028282.db2.gz YMLIRZNPAGGNOI-GOSISDBHSA-N 1 1 333.520 3.296 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164220086 1294345227 /nfs/dbraw/zinc/34/52/27/1294345227.db2.gz HHARJUKDJDJIEF-OAHLLOKOSA-N 1 1 348.487 3.046 20 10 EGCDMO CCCNC(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176679622 1294622610 /nfs/dbraw/zinc/62/26/10/1294622610.db2.gz HAEHBRYQZYNLKU-INIZCTEOSA-N 1 1 326.440 3.482 20 10 EGCDMO COC(=O)[C@H](C)C[N@H+](Cc1cc(Cl)cc(C(C)=O)c1O)C1CC1 ZINC000176890763 1294641827 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RWDARZUAIKMPAP-KSSFIOAISA-N 1 1 326.440 3.040 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@@H]2C)c(C)n1-c1ccc(C)cc1 ZINC000788276161 1305912917 /nfs/dbraw/zinc/91/29/17/1305912917.db2.gz RWDARZUAIKMPAP-KSSFIOAISA-N 1 1 326.440 3.040 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275836 1305912989 /nfs/dbraw/zinc/91/29/89/1305912989.db2.gz OMKQZJWHBGIRKF-SUMWQHHRSA-N 1 1 344.430 3.179 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275836 1305912996 /nfs/dbraw/zinc/91/29/96/1305912996.db2.gz OMKQZJWHBGIRKF-SUMWQHHRSA-N 1 1 344.430 3.179 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cccc(C(F)(F)F)c1O ZINC000788560151 1305970736 /nfs/dbraw/zinc/97/07/36/1305970736.db2.gz BHQUZJKAIJSGJS-WDEREUQCSA-N 1 1 330.350 3.073 20 10 EGCDMO COC[C@H]([NH2+][C@H](C)c1cccc(C(F)(F)F)c1O)[C@H]1CCCO1 ZINC000788795614 1306016937 /nfs/dbraw/zinc/01/69/37/1306016937.db2.gz AMWSNKOMICTODO-DDTOSNHZSA-N 1 1 333.350 3.256 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)[C@@H](COC)Cc2ccccc2)c1 ZINC000789584550 1306188191 /nfs/dbraw/zinc/18/81/91/1306188191.db2.gz MWHAKNZTWFRPNC-GOSISDBHSA-N 1 1 329.440 3.480 20 10 EGCDMO CC(C)N1CCC[C@H]([N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)C1=O ZINC000790265913 1306286261 /nfs/dbraw/zinc/28/62/61/1306286261.db2.gz KLHRFBJEUKRSBL-IBGZPJMESA-N 1 1 329.488 3.116 20 10 EGCDMO COc1ccc(C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)c(O)c1OC ZINC000894296868 1306328179 /nfs/dbraw/zinc/32/81/79/1306328179.db2.gz WJPNOKAKBZVDFN-DOMZBBRYSA-N 1 1 346.254 3.425 20 10 EGCDMO C[C@@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccc(N(C)C)cc1 ZINC000790526177 1306344206 /nfs/dbraw/zinc/34/42/06/1306344206.db2.gz XACUCCJGKRHPMQ-QAPCUYQASA-N 1 1 346.519 3.233 20 10 EGCDMO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000790935476 1308891975 /nfs/dbraw/zinc/89/19/75/1308891975.db2.gz WUBATPUFPHQIAR-AAEUAGOBSA-N 1 1 328.250 3.280 20 10 EGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000790935476 1308891988 /nfs/dbraw/zinc/89/19/88/1308891988.db2.gz WUBATPUFPHQIAR-AAEUAGOBSA-N 1 1 328.250 3.280 20 10 EGCDMO CN(C)[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1 ZINC000790947330 1308893018 /nfs/dbraw/zinc/89/30/18/1308893018.db2.gz YBZFHTBHNRNOTI-AWEZNQCLSA-N 1 1 336.838 3.447 20 10 EGCDMO CCOC(=O)N[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)CC(C)C ZINC000790948576 1308893319 /nfs/dbraw/zinc/89/33/19/1308893319.db2.gz BMNCHVOIZWTSBZ-LLVKDONJSA-N 1 1 346.830 3.435 20 10 EGCDMO C[C@H]1CN(C(C)(C)C[NH2+]Cc2c(O)ccc(Cl)c2F)C[C@H](C)O1 ZINC000790949142 1308893468 /nfs/dbraw/zinc/89/34/68/1308893468.db2.gz JSHJJEKURCBYCZ-RYUDHWBXSA-N 1 1 344.858 3.162 20 10 EGCDMO C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782535 1309069518 /nfs/dbraw/zinc/06/95/18/1309069518.db2.gz LKOJLJCVDJACFI-YGRLFVJLSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782535 1309069529 /nfs/dbraw/zinc/06/95/29/1309069529.db2.gz LKOJLJCVDJACFI-YGRLFVJLSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782535 1309069532 /nfs/dbraw/zinc/06/95/32/1309069532.db2.gz LKOJLJCVDJACFI-YGRLFVJLSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782535 1309069541 /nfs/dbraw/zinc/06/95/41/1309069541.db2.gz LKOJLJCVDJACFI-YGRLFVJLSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[NH+](Cc2cc(-c3ccccc3)ccc2O)C[C@@H](C)S1=O ZINC000792192288 1309140240 /nfs/dbraw/zinc/14/02/40/1309140240.db2.gz LLAISGIRCUBSIY-HUUCEWRRSA-N 1 1 329.465 3.401 20 10 EGCDMO COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792787341 1309231078 /nfs/dbraw/zinc/23/10/78/1309231078.db2.gz CDSWRJFMFCTSHR-LLVKDONJSA-N 1 1 332.366 3.012 20 10 EGCDMO CN(C)c1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000792920531 1309260429 /nfs/dbraw/zinc/26/04/29/1309260429.db2.gz ZDNSLOUOIOTXNZ-GDBMZVCRSA-N 1 1 341.421 3.488 20 10 EGCDMO COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCCCO3)C2)c(O)c1OC ZINC000895405740 1309319678 /nfs/dbraw/zinc/31/96/78/1309319678.db2.gz PCKSYLGPUZQOGG-GOEBONIOSA-N 1 1 335.444 3.191 20 10 EGCDMO Cc1noc([C@H]2CC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000794140281 1309471795 /nfs/dbraw/zinc/47/17/95/1309471795.db2.gz LXCRNXHGGQPPHA-KRWDZBQOSA-N 1 1 326.444 3.358 20 10 EGCDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000795142240 1309680390 /nfs/dbraw/zinc/68/03/90/1309680390.db2.gz KIDDMQAPSRBZRD-HZPDHXFCSA-N 1 1 331.504 3.220 20 10 EGCDMO Cc1nc(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000796345723 1309973407 /nfs/dbraw/zinc/97/34/07/1309973407.db2.gz LXMFNKSGNGELJD-UHFFFAOYSA-N 1 1 347.466 3.008 20 10 EGCDMO Cc1nnc(CC[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)[nH]1 ZINC000796345723 1309973413 /nfs/dbraw/zinc/97/34/13/1309973413.db2.gz LXMFNKSGNGELJD-UHFFFAOYSA-N 1 1 347.466 3.008 20 10 EGCDMO C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC000798956810 1310463456 /nfs/dbraw/zinc/46/34/56/1310463456.db2.gz AWNFSUGIJONTAB-UHFFFAOYSA-N 1 1 326.843 3.493 20 10 EGCDMO CCc1onc(C)c1CNC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000898447192 1310739146 /nfs/dbraw/zinc/73/91/46/1310739146.db2.gz GPRBBCYPTBZWMM-SFHVURJKSA-N 1 1 330.476 3.004 20 10 EGCDMO CN(C)c1ccc([C@@H](CNCc2ccc3c(n2)CCC3)[NH+](C)C)cc1 ZINC000898451519 1310742254 /nfs/dbraw/zinc/74/22/54/1310742254.db2.gz ZEWQAPYZXKYYRP-OAQYLSRUSA-N 1 1 338.499 3.029 20 10 EGCDMO C[C@@H]([NH2+]Cc1c(Cl)ncnc1N(C)C)c1ccc(N(C)C)cc1 ZINC000801544723 1310963223 /nfs/dbraw/zinc/96/32/23/1310963223.db2.gz SYSKLCRVDXUQJK-GFCCVEGCSA-N 1 1 333.867 3.113 20 10 EGCDMO CO[C@H]([C@H](C)[NH2+]Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000825098119 1320309928 /nfs/dbraw/zinc/30/99/28/1320309928.db2.gz AEVVZXPMKMKMLQ-ZUZCIYMTSA-N 1 1 328.250 3.366 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000827184858 1320432626 /nfs/dbraw/zinc/43/26/26/1320432626.db2.gz IJPFBGFXJRHYHS-UHFFFAOYSA-N 1 1 345.443 3.364 20 10 EGCDMO CCc1cc(C[N@@H+]2CCOC[C@H]2CC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000808211267 1317645226 /nfs/dbraw/zinc/64/52/26/1317645226.db2.gz PGMKPTFMAQYENV-MRXNPFEDSA-N 1 1 349.471 3.016 20 10 EGCDMO CCc1cc(C[N@H+]2CCOC[C@H]2CC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000808211267 1317645230 /nfs/dbraw/zinc/64/52/30/1317645230.db2.gz PGMKPTFMAQYENV-MRXNPFEDSA-N 1 1 349.471 3.016 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cnn(CC3CCC3)c2)c1 ZINC000903240109 1317680330 /nfs/dbraw/zinc/68/03/30/1317680330.db2.gz OSIWEGFWPXRIOF-ZDUSSCGKSA-N 1 1 343.427 3.026 20 10 EGCDMO COc1ccnc([C@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000903448088 1317702192 /nfs/dbraw/zinc/70/21/92/1317702192.db2.gz JLKUYBRBOIQICF-MGPUTAFESA-N 1 1 342.487 3.110 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@@H]1O ZINC000809644278 1317855294 /nfs/dbraw/zinc/85/52/94/1317855294.db2.gz GGLGIXYCQOJIMJ-VGSWGCGISA-N 1 1 336.479 3.452 20 10 EGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000809697495 1317866893 /nfs/dbraw/zinc/86/68/93/1317866893.db2.gz HWWITKSXIRVOEE-WPRPVWTQSA-N 1 1 341.732 3.177 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000809728995 1317880429 /nfs/dbraw/zinc/88/04/29/1317880429.db2.gz NUPRGEOIDUBOAN-OAQYLSRUSA-N 1 1 336.483 3.171 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccncc3)cc2)CC1 ZINC000809728995 1317880435 /nfs/dbraw/zinc/88/04/35/1317880435.db2.gz NUPRGEOIDUBOAN-OAQYLSRUSA-N 1 1 336.483 3.171 20 10 EGCDMO CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(Br)c1[O-] ZINC000809750332 1317890585 /nfs/dbraw/zinc/89/05/85/1317890585.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 1 1 341.293 3.463 20 10 EGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@@H](O)C1CC1 ZINC000809752194 1317890144 /nfs/dbraw/zinc/89/01/44/1317890144.db2.gz PDORUVSXMSIXCU-HXUWFJFHSA-N 1 1 327.424 3.174 20 10 EGCDMO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C[C@@H](O)C1CC1 ZINC000809750922 1317890445 /nfs/dbraw/zinc/89/04/45/1317890445.db2.gz BTURBPFRGZFNGT-JOCHJYFZSA-N 1 1 336.479 3.452 20 10 EGCDMO COc1cccc(C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774862 1317897790 /nfs/dbraw/zinc/89/77/90/1317897790.db2.gz SLZXAXGUHSOOPI-HOTGVXAUSA-N 1 1 329.440 3.387 20 10 EGCDMO C[N@@H+](CCn1cc(Br)cn1)Cc1c(O)cccc1Cl ZINC000809793211 1317903214 /nfs/dbraw/zinc/90/32/14/1317903214.db2.gz ULBNFEBZTACZNB-UHFFFAOYSA-N 1 1 344.640 3.137 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2COc3c(C)cccc3C2)c1 ZINC000810259712 1317988569 /nfs/dbraw/zinc/98/85/69/1317988569.db2.gz QHRNTWFIBLLCBY-XJKSGUPXSA-N 1 1 341.407 3.142 20 10 EGCDMO Oc1ccc2c(c1CNc1cc[nH+]cc1Br)CCCC2 ZINC000811808722 1318270988 /nfs/dbraw/zinc/27/09/88/1318270988.db2.gz PYEDOKNRUPNNPQ-UHFFFAOYSA-N 1 1 333.229 3.463 20 10 EGCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000812700302 1318441284 /nfs/dbraw/zinc/44/12/84/1318441284.db2.gz ACYGUVATNLBNNK-KRWDZBQOSA-N 1 1 348.535 3.405 20 10 EGCDMO CO[C@](C)(C[NH2+]Cc1cc(C)cc(Br)c1O)C1CC1 ZINC000812773340 1318451024 /nfs/dbraw/zinc/45/10/24/1318451024.db2.gz USMOSMAKJLPFSZ-OAHLLOKOSA-N 1 1 328.250 3.368 20 10 EGCDMO CSC[C@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000814178867 1318690742 /nfs/dbraw/zinc/69/07/42/1318690742.db2.gz GOSMTBFHLZFOPF-SFHVURJKSA-N 1 1 333.545 3.013 20 10 EGCDMO CSC[C@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC000814178867 1318690749 /nfs/dbraw/zinc/69/07/49/1318690749.db2.gz GOSMTBFHLZFOPF-SFHVURJKSA-N 1 1 333.545 3.013 20 10 EGCDMO COCC(C)(C)[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000814178209 1318692270 /nfs/dbraw/zinc/69/22/70/1318692270.db2.gz HJVBYKNCXVDYJA-UHFFFAOYSA-N 1 1 335.448 3.442 20 10 EGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)oc1C ZINC000815009028 1318865240 /nfs/dbraw/zinc/86/52/40/1318865240.db2.gz XNVMGWUSVJWHLA-UHFFFAOYSA-N 1 1 330.428 3.381 20 10 EGCDMO Cc1nccnc1CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815651242 1319038019 /nfs/dbraw/zinc/03/80/19/1319038019.db2.gz OLKSKHQRUKUYJR-JTQLQIEISA-N 1 1 325.334 3.403 20 10 EGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816499372 1319167511 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EGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cc(N(C)C)ccn2)cc1F ZINC000922478368 1322537357 /nfs/dbraw/zinc/53/73/57/1322537357.db2.gz MVAGKLWEMQXUKI-UHFFFAOYSA-N 1 1 330.451 3.423 20 10 EGCDMO Cc1cc(C[N@@H+](CCOCCO)C2CCC2)ccc1N1CCCCC1 ZINC000852291600 1323174768 /nfs/dbraw/zinc/17/47/68/1323174768.db2.gz YASJYMQTXUUHAH-UHFFFAOYSA-N 1 1 346.515 3.349 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](C)[C@H]3CCO)cc2)CC1 ZINC000852460237 1323194591 /nfs/dbraw/zinc/19/45/91/1323194591.db2.gz BCAHGUZSCSMXJE-LAUBAEHRSA-N 1 1 346.515 3.285 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]3C[C@@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852634413 1323220381 /nfs/dbraw/zinc/22/03/81/1323220381.db2.gz NCFVYGHKWQDCCB-HUUCEWRRSA-N 1 1 327.403 3.153 20 10 EGCDMO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001024819012 1323724084 /nfs/dbraw/zinc/72/40/84/1323724084.db2.gz KMTFOCJEQYXMAX-INIZCTEOSA-N 1 1 345.447 3.089 20 10 EGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2cc(F)ncn2)C1 ZINC000853311275 1325079253 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C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1c(O)cccc1Br ZINC000862352053 1329477034 /nfs/dbraw/zinc/47/70/34/1329477034.db2.gz XHHIBPATXOCVBC-NEPJUHHUSA-N 1 1 328.250 3.280 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000862387660 1329481147 /nfs/dbraw/zinc/48/11/47/1329481147.db2.gz PLAKWJMMYRPPRI-OAHLLOKOSA-N 1 1 326.234 3.157 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000862485547 1329490713 /nfs/dbraw/zinc/49/07/13/1329490713.db2.gz OYPZSISPSRCRGL-BBRMVZONSA-N 1 1 335.444 3.201 20 10 EGCDMO CCc1cccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c1O ZINC000862538406 1329493815 /nfs/dbraw/zinc/49/38/15/1329493815.db2.gz ROJWYKSRRVBCJP-GOSISDBHSA-N 1 1 325.408 3.227 20 10 EGCDMO COc1cc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)cc1C ZINC000863332844 1329547443 /nfs/dbraw/zinc/54/74/43/1329547443.db2.gz LEMIRJOZKSYPMW-ZDUSSCGKSA-N 1 1 338.448 3.054 20 10 EGCDMO CN(CCC[NH+]1CCCC1)Cc1c(O)cc(Br)cc1F ZINC001233030736 1376558056 /nfs/dbraw/zinc/55/80/56/1376558056.db2.gz 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/nfs/dbraw/zinc/09/34/05/1378093405.db2.gz WYKXVNCRQNTNML-IBGZPJMESA-N 1 1 332.419 3.041 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)c1 ZINC001140619526 1378099473 /nfs/dbraw/zinc/09/94/73/1378099473.db2.gz GNGHAZFYSWVDEP-CVEARBPZSA-N 1 1 332.444 3.142 20 10 EGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](c3nc(C(C)C)no3)C2)c1O ZINC001140749383 1378128776 /nfs/dbraw/zinc/12/87/76/1378128776.db2.gz XORMDZVBYRWBTC-CQSZACIVSA-N 1 1 331.416 3.292 20 10 EGCDMO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)c(O)c1 ZINC001140947929 1378188156 /nfs/dbraw/zinc/18/81/56/1378188156.db2.gz LWAUGVUCYZDGTQ-NVXWUHKLSA-N 1 1 346.471 3.389 20 10 EGCDMO Cc1ccc(C[N@H+]2CC[C@]3(CCN3C(=O)OC(C)(C)C)C2)c(O)c1 ZINC001140947994 1378188275 /nfs/dbraw/zinc/18/82/75/1378188275.db2.gz OPHJAMWWEUSHMP-IBGZPJMESA-N 1 1 332.444 3.286 20 10 EGCDMO C[N@@H+]1CCCC2(CC[NH+](Cc3c([O-])ccc(F)c3Cl)CC2)C1 ZINC001276837896 1378188721 /nfs/dbraw/zinc/18/87/21/1378188721.db2.gz RXKZUUJFNCCIIR-UHFFFAOYSA-N 1 1 326.843 3.493 20 10 EGCDMO C[N@H+]1CCCC2(CC[NH+](Cc3c([O-])ccc(F)c3Cl)CC2)C1 ZINC001276837896 1378188726 /nfs/dbraw/zinc/18/87/26/1378188726.db2.gz RXKZUUJFNCCIIR-UHFFFAOYSA-N 1 1 326.843 3.493 20 10 EGCDMO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(O)c1 ZINC001140948047 1378188792 /nfs/dbraw/zinc/18/87/92/1378188792.db2.gz QOQPOSRXUGYOKH-GOEBONIOSA-N 1 1 332.444 3.142 20 10 EGCDMO OCc1ccc2c(c1)CC[N@H+](Cc1cc3c4c(c1)CCCN4CCC3)C2 ZINC001141074566 1378232899 /nfs/dbraw/zinc/23/28/99/1378232899.db2.gz MIAPZZBJQCFOIJ-UHFFFAOYSA-N 1 1 348.490 3.436 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@@]1(C)O ZINC001141074405 1378233125 /nfs/dbraw/zinc/23/31/25/1378233125.db2.gz HOMPTUWSEXXOLH-HRAATJIYSA-N 1 1 328.500 3.368 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CCC[C@]1(C)O ZINC001141074408 1378233143 /nfs/dbraw/zinc/23/31/43/1378233143.db2.gz HOMPTUWSEXXOLH-KKSFZXQISA-N 1 1 328.500 3.368 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)cc1 ZINC001141144751 1378248569 /nfs/dbraw/zinc/24/85/69/1378248569.db2.gz KDDUNVYUXIRUES-UHFFFAOYSA-N 1 1 325.456 3.213 20 10 EGCDMO CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2Cc2cc(O)ccc2O)CC1 ZINC001141156945 1378253672 /nfs/dbraw/zinc/25/36/72/1378253672.db2.gz YMZAEWZETHRXAW-UHFFFAOYSA-N 1 1 348.443 3.073 20 10 EGCDMO Oc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H](C2)c2cc4nccnc4cc23)c1 ZINC001141160997 1378254152 /nfs/dbraw/zinc/25/41/52/1378254152.db2.gz MMDATWHTIHCWJL-BETUJISGSA-N 1 1 333.391 3.128 20 10 EGCDMO Oc1ccc(O)c(CN2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC001141161320 1378254312 /nfs/dbraw/zinc/25/43/12/1378254312.db2.gz DRNQXJUVBAVPLP-IEBWSBKVSA-N 1 1 338.451 3.052 20 10 EGCDMO COc1ccccc1O[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520818 1378452373 /nfs/dbraw/zinc/45/23/73/1378452373.db2.gz PUPLCZHKTUBMFO-CYBMUJFWSA-N 1 1 335.350 3.332 20 10 EGCDMO COc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142520818 1378452375 /nfs/dbraw/zinc/45/23/75/1378452375.db2.gz PUPLCZHKTUBMFO-CYBMUJFWSA-N 1 1 335.350 3.332 20 10 EGCDMO COC(=O)[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)[C@H]1c1ccccc1 ZINC001142534431 1378455472 /nfs/dbraw/zinc/45/54/72/1378455472.db2.gz JGTGWYLXTNRUBG-KSSFIOAISA-N 1 1 347.361 3.407 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)[C@H]1c1ccccc1 ZINC001142534431 1378455474 /nfs/dbraw/zinc/45/54/74/1378455474.db2.gz JGTGWYLXTNRUBG-KSSFIOAISA-N 1 1 347.361 3.407 20 10 EGCDMO CC(C)(C)c1cccc(C[NH+]2CCN(C(=O)c3ccco3)CC2)c1O ZINC001143104621 1378541222 /nfs/dbraw/zinc/54/12/22/1378541222.db2.gz WFFKAMKNMCTRRU-UHFFFAOYSA-N 1 1 342.439 3.241 20 10 EGCDMO CC[NH+](CC)[C@H]1CCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144306546 1378713811 /nfs/dbraw/zinc/71/38/11/1378713811.db2.gz GMSBYPKQSYOJLT-LBPRGKRZSA-N 1 1 345.256 3.210 20 10 EGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1c(O)cccc1Br ZINC001329512725 1389137235 /nfs/dbraw/zinc/13/72/35/1389137235.db2.gz OBPCXBBVMBKRAE-NSHDSACASA-N 1 1 342.233 3.072 20 10 EGCDMO C[N@H+]1CCCC[C@@H]1c1ccc(NCCc2cc(O)c(O)cc2O)nc1 ZINC001168009705 1383796323 /nfs/dbraw/zinc/79/63/23/1383796323.db2.gz OFHODDWKQZYSSC-OAHLLOKOSA-N 1 1 343.427 3.010 20 10 EGCDMO COc1cccc2c1C[C@@H]([N@@H+](C)Cc1ccc(N(C)C)cc1)CO2 ZINC001173164072 1384928276 /nfs/dbraw/zinc/92/82/76/1384928276.db2.gz ABVQWPANJWGLIL-QGZVFWFLSA-N 1 1 326.440 3.197 20 10 EGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001178701540 1386283099 /nfs/dbraw/zinc/28/30/99/1386283099.db2.gz MPMCYGWQOADTNG-QAPCUYQASA-N 1 1 330.472 3.233 20 10 EGCDMO C[NH+]1CCN(c2ccc(CN3CCc4cccc(F)c4C3)cc2)CC1 ZINC001319814929 1386311791 /nfs/dbraw/zinc/31/17/91/1386311791.db2.gz ZFOHXXANFFKCEA-UHFFFAOYSA-N 1 1 339.458 3.136 20 10 EGCDMO CCOc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3F)CC2)cc1 ZINC001320366627 1386589192 /nfs/dbraw/zinc/58/91/92/1386589192.db2.gz UEPOLMISBULUMH-FQEVSTJZSA-N 1 1 344.430 3.080 20 10 EGCDMO CCOc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC001320366630 1386589305 /nfs/dbraw/zinc/58/93/05/1386589305.db2.gz UEPOLMISBULUMH-HXUWFJFHSA-N 1 1 344.430 3.080 20 10 EGCDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001320508717 1386632029 /nfs/dbraw/zinc/63/20/29/1386632029.db2.gz HMSSIOWGVZOTML-HNNXBMFYSA-N 1 1 339.524 3.151 20 10 EGCDMO CCC[N@H+]1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC001322870074 1387250006 /nfs/dbraw/zinc/25/00/06/1387250006.db2.gz WTQMYYPQKQAWSY-CYBMUJFWSA-N 1 1 327.519 3.006 20 10 EGCDMO COc1cc(C[N@H+](C)C2CCN(OC)CC2)c(O)c(C(C)(C)C)c1 ZINC001330809979 1389534191 /nfs/dbraw/zinc/53/41/91/1389534191.db2.gz YJUPPPUDFPCXJT-UHFFFAOYSA-N 1 1 336.476 3.156 20 10 EGCDMO c1ccc(CO[C@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001331084471 1389625410 /nfs/dbraw/zinc/62/54/10/1389625410.db2.gz YRTHHVUTMGEEGJ-NRFANRHFSA-N 1 1 337.467 3.473 20 10 EGCDMO O=C(c1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC001331924635 1389913251 /nfs/dbraw/zinc/91/32/51/1389913251.db2.gz IGMSEBDMRZPHLN-MRXNPFEDSA-N 1 1 346.377 3.065 20 10 EGCDMO CCCN(Cc1ccc(N2CC[NH+](C)CC2)c(F)c1)CC(F)(F)F ZINC001341540183 1390499587 /nfs/dbraw/zinc/49/95/87/1390499587.db2.gz PZTNISOYKMMVJN-UHFFFAOYSA-N 1 1 347.400 3.352 20 10 EGCDMO CCn1cc(C[NH2+]Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)nn1 ZINC001334694034 1390567543 /nfs/dbraw/zinc/56/75/43/1390567543.db2.gz LGIPWXUXXHCFRC-AWEZNQCLSA-N 1 1 347.894 3.478 20 10 EGCDMO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(N)cc3)CC2)c1 ZINC001335284639 1390666138 /nfs/dbraw/zinc/66/61/38/1390666138.db2.gz GGFUKGFFERHXJU-INIZCTEOSA-N 1 1 325.456 3.156 20 10 EGCDMO C[C@@H]([NH2+]CCN1CCC(CO)CC1)c1cc(Cl)c(Cl)cc1O ZINC001343905589 1390743468 /nfs/dbraw/zinc/74/34/68/1390743468.db2.gz XFWPHCYSWHGZQQ-LLVKDONJSA-N 1 1 347.286 3.054 20 10 EGCDMO OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790982182 1126110109 /nfs/dbraw/zinc/11/01/09/1126110109.db2.gz RGQIIPGFCSJUPH-GFCCVEGCSA-N 1 1 327.758 3.017 20 10 EGCDMO C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000278810276 455849679 /nfs/dbraw/zinc/84/96/79/455849679.db2.gz RWPIXQWODXPYQC-VIFPVBQESA-N 1 1 331.243 3.395 20 10 EGCDMO COc1ccc(CN2CCC[N@@H+](Cc3ccccc3O)CC2)cc1 ZINC000183290584 455271434 /nfs/dbraw/zinc/27/14/34/455271434.db2.gz PERWPUJQTSYRRL-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO C[C@H](Sc1nccs1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000052914445 453849366 /nfs/dbraw/zinc/84/93/66/453849366.db2.gz IBNGNRUWDZGHHR-ZFWWWQNUSA-N 1 1 347.509 3.014 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1OC ZINC000159502905 455381343 /nfs/dbraw/zinc/38/13/43/455381343.db2.gz BTIDSOLRCISNPN-UHFFFAOYSA-N 1 1 330.428 3.107 20 10 EGCDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)c(C)cc1O ZINC000119554144 454204117 /nfs/dbraw/zinc/20/41/17/454204117.db2.gz GALOZVCFOZJSPJ-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO C[C@H](NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000090524427 454316059 /nfs/dbraw/zinc/31/60/59/454316059.db2.gz DCYIKQBQGNQMLP-NDXORKPFSA-N 1 1 345.531 3.171 20 10 EGCDMO C[C@H]([NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccc(N(C)C)cc1 ZINC000090524427 454316065 /nfs/dbraw/zinc/31/60/65/454316065.db2.gz DCYIKQBQGNQMLP-NDXORKPFSA-N 1 1 345.531 3.171 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000121757681 454472668 /nfs/dbraw/zinc/47/26/68/454472668.db2.gz CEHGUXNJASESHL-QGZVFWFLSA-N 1 1 335.455 3.175 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000092149298 454528967 /nfs/dbraw/zinc/52/89/67/454528967.db2.gz GMSDCORHSIXHBW-UHFFFAOYSA-N 1 1 330.453 3.110 20 10 EGCDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092186861 454532357 /nfs/dbraw/zinc/53/23/57/454532357.db2.gz PJLOLEQBUWISFQ-UHFFFAOYSA-N 1 1 329.488 3.121 20 10 EGCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000123529412 454648753 /nfs/dbraw/zinc/64/87/53/454648753.db2.gz NXTZZFRACAAQOY-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1O ZINC000177037199 454815542 /nfs/dbraw/zinc/81/55/42/454815542.db2.gz NSCZPPNSQIAQBH-LBPRGKRZSA-N 1 1 333.819 3.351 20 10 EGCDMO COc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)cc1 ZINC000111236121 454859182 /nfs/dbraw/zinc/85/91/82/454859182.db2.gz OIEOIYLOZLVFFT-UHFFFAOYSA-N 1 1 325.368 3.083 20 10 EGCDMO CCOc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O ZINC000112583581 454891865 /nfs/dbraw/zinc/89/18/65/454891865.db2.gz WTRLMKVUYVYIRY-AWEZNQCLSA-N 1 1 328.412 3.250 20 10 EGCDMO Cc1cc(C[N@H+](C)Cc2ccc(N(C)C)cc2)ccc1-n1cncn1 ZINC000155185333 454971781 /nfs/dbraw/zinc/97/17/81/454971781.db2.gz BKUABKUYLQSEHT-UHFFFAOYSA-N 1 1 335.455 3.274 20 10 EGCDMO O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000119097892 455125138 /nfs/dbraw/zinc/12/51/38/455125138.db2.gz BIAWCAOPBTZTGC-UHFFFAOYSA-N 1 1 341.499 3.121 20 10 EGCDMO CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cc(OC)c(OC)cc1O ZINC000180481178 455178989 /nfs/dbraw/zinc/17/89/89/455178989.db2.gz RMCPEJRQHRPVNN-QGZVFWFLSA-N 1 1 345.439 3.183 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000159162492 455356736 /nfs/dbraw/zinc/35/67/36/455356736.db2.gz QQJQWHUVSTURRC-UHFFFAOYSA-N 1 1 328.412 3.170 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000159162492 455356740 /nfs/dbraw/zinc/35/67/40/455356740.db2.gz QQJQWHUVSTURRC-UHFFFAOYSA-N 1 1 328.412 3.170 20 10 EGCDMO CCOc1cccc(C[NH+]2CCN([C@H](C)c3nccs3)CC2)c1O ZINC000185613860 455585169 /nfs/dbraw/zinc/58/51/69/455585169.db2.gz AODUZELBTNAABB-CQSZACIVSA-N 1 1 347.484 3.126 20 10 EGCDMO C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000185647960 455589211 /nfs/dbraw/zinc/58/92/11/455589211.db2.gz XERPTCXFBTXHND-MRXNPFEDSA-N 1 1 341.499 3.222 20 10 EGCDMO CO[C@@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174942 455646687 /nfs/dbraw/zinc/64/66/87/455646687.db2.gz XZAGTZKUYTYTNP-NRFANRHFSA-N 1 1 340.467 3.343 20 10 EGCDMO C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+](C)Cc2ccccc2O)C1=O ZINC000292767065 455752024 /nfs/dbraw/zinc/75/20/24/455752024.db2.gz JHCQOSRGNVRYDE-KDOFPFPSSA-N 1 1 342.414 3.325 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@H](c2cccnc2)C(C)C)ccc1[N+](=O)[O-] ZINC000278462562 455836612 /nfs/dbraw/zinc/83/66/12/455836612.db2.gz FHHJCWWTJHILKQ-HNNXBMFYSA-N 1 1 345.399 3.233 20 10 EGCDMO COc1c(O)c(C[NH2+]CCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000278838050 455850772 /nfs/dbraw/zinc/85/07/72/455850772.db2.gz JNPHVWURCPEWAC-UHFFFAOYSA-N 1 1 342.804 3.356 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C[C@H]3CCOC3)C3CC3)cc2)CC1 ZINC000295507664 455851314 /nfs/dbraw/zinc/85/13/14/455851314.db2.gz LFOCJDOERRBQFO-GOSISDBHSA-N 1 1 344.499 3.303 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCc3cc(C)ccc32)ccc1[N+](=O)[O-] ZINC000278909417 455852713 /nfs/dbraw/zinc/85/27/13/455852713.db2.gz SECZTKGWABUDRM-HNNXBMFYSA-N 1 1 328.368 3.395 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@](C)(OC)C3)cc2)CC1 ZINC000295904613 455862513 /nfs/dbraw/zinc/86/25/13/455862513.db2.gz FGVDXXIWZJYZNV-HXUWFJFHSA-N 1 1 332.488 3.303 20 10 EGCDMO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279726727 455871049 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C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=CC(=O)CS1 ZINC000740939847 576638332 /nfs/dbraw/zinc/63/83/32/576638332.db2.gz LURMPFODXZUCFU-CQSZACIVSA-N 1 1 330.453 3.190 20 10 EGCDMO CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000742731441 576794450 /nfs/dbraw/zinc/79/44/50/576794450.db2.gz SZMLAXOLCJZQIM-HXUWFJFHSA-N 1 1 338.451 3.321 20 10 EGCDMO C[C@H]1C(=O)N(C[N@H+](C)Cc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC000743352423 576806387 /nfs/dbraw/zinc/80/63/87/576806387.db2.gz ZZCZUKQRBOMXTJ-OXQOHEQNSA-N 1 1 337.467 3.362 20 10 EGCDMO C[C@H]1C(=O)N(C[N@@H+](C)Cc2ccc(N(C)C)cc2)[C@H]1c1ccccc1 ZINC000743352423 576806388 /nfs/dbraw/zinc/80/63/88/576806388.db2.gz ZZCZUKQRBOMXTJ-OXQOHEQNSA-N 1 1 337.467 3.362 20 10 EGCDMO Cc1nc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)sc1C ZINC000743497586 576810450 /nfs/dbraw/zinc/81/04/50/576810450.db2.gz GXHRLGNWHIYHBP-UHFFFAOYSA-N 1 1 335.448 3.025 20 10 EGCDMO C[C@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000744444506 576828630 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EGCDMO CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000066701287 1292127516 /nfs/dbraw/zinc/12/75/16/1292127516.db2.gz NCDVPVVGWMKQED-IRXDYDNUSA-N 1 1 347.503 3.434 20 10 EGCDMO CC(=O)N1CC[C@H](C[N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828493069 1292467473 /nfs/dbraw/zinc/46/74/73/1292467473.db2.gz ZQWKUBWUVDPRQI-HXUWFJFHSA-N 1 1 343.515 3.286 20 10 EGCDMO Cc1cc(C[N@H+](C)CCNC(=O)C(C)C)ccc1N1CCCCC1 ZINC000828588923 1292478687 /nfs/dbraw/zinc/47/86/87/1292478687.db2.gz CUCKNGOQKVNTIP-UHFFFAOYSA-N 1 1 331.504 3.189 20 10 EGCDMO CN(C)C(=O)c1ccc(C[N@@H+](Cc2ccccc2O)C2CCCC2)[nH]1 ZINC000093319237 1292916675 /nfs/dbraw/zinc/91/66/75/1292916675.db2.gz MDIWGVTUFWPQPG-UHFFFAOYSA-N 1 1 341.455 3.367 20 10 EGCDMO Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c(C)n1-c1ccccc1C ZINC000104188938 1293019794 /nfs/dbraw/zinc/01/97/94/1293019794.db2.gz CUHRPVIMNUIYGG-KRWDZBQOSA-N 1 1 325.456 3.084 20 10 EGCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000111881217 1293112245 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[O-]c1c(Br)cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121240811 1293361635 /nfs/dbraw/zinc/36/16/35/1293361635.db2.gz IDJUAMHXZADNNR-NSHDSACASA-N 1 1 336.233 3.257 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121240811 1293361644 /nfs/dbraw/zinc/36/16/44/1293361644.db2.gz IDJUAMHXZADNNR-NSHDSACASA-N 1 1 336.233 3.257 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121240811 1293361653 /nfs/dbraw/zinc/36/16/53/1293361653.db2.gz IDJUAMHXZADNNR-NSHDSACASA-N 1 1 336.233 3.257 20 10 EGCDMO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)c1nnnn1-c1ccccc1 ZINC000123228880 1293437362 /nfs/dbraw/zinc/43/73/62/1293437362.db2.gz QJJMNBZSYHKEEU-HUUCEWRRSA-N 1 1 336.443 3.140 20 10 EGCDMO CC[NH+](CC)[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000134058607 1293761118 /nfs/dbraw/zinc/76/11/18/1293761118.db2.gz DDVRYVQPGKLACL-ZDUSSCGKSA-N 1 1 327.266 3.071 20 10 EGCDMO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000152034646 1293951209 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EGCDMO C[C@@H]1COCC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000753546651 1299970085 /nfs/dbraw/zinc/97/00/85/1299970085.db2.gz JGIQUXIBRYPBIF-INIZCTEOSA-N 1 1 327.424 3.440 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@H](c3nccn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000755793406 1300396647 /nfs/dbraw/zinc/39/66/47/1300396647.db2.gz ZSBUEBWNITVKLF-AWEZNQCLSA-N 1 1 343.471 3.421 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccccc2)N(C)C)c1 ZINC000756372075 1300478325 /nfs/dbraw/zinc/47/83/25/1300478325.db2.gz NZWBFWNNRUOMIS-KSSFIOAISA-N 1 1 342.439 3.132 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)N2CCCC[C@@H]2C)c1 ZINC000756410324 1300485856 /nfs/dbraw/zinc/48/58/56/1300485856.db2.gz GSKGRQUOJBEUDO-KKUMJFAQSA-N 1 1 334.460 3.092 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccnc2OC(C)C)c1 ZINC000756419224 1300487135 /nfs/dbraw/zinc/48/71/35/1300487135.db2.gz DOIQHRXJSOSYKX-ZDUSSCGKSA-N 1 1 344.411 3.212 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2c(F)cccc2F)c1 ZINC000756421916 1300487469 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COc1ccccc1N1CC[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882947162 1302176361 /nfs/dbraw/zinc/17/63/61/1302176361.db2.gz NEYKJMYULCVQNO-CYBMUJFWSA-N 1 1 348.393 3.295 20 10 EGCDMO C[C@@H](NC[C@H](C)[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000765247718 1302227859 /nfs/dbraw/zinc/22/78/59/1302227859.db2.gz CGHIPRQUANKYOY-DLBZAZTESA-N 1 1 349.494 3.187 20 10 EGCDMO C[C@H]1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cn2)C[C@H](C)O1 ZINC000883071918 1302231393 /nfs/dbraw/zinc/23/13/93/1302231393.db2.gz RVRPBDCZWCXLNG-RYUDHWBXSA-N 1 1 349.381 3.291 20 10 EGCDMO O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2O)CCCN1C1CCCCC1 ZINC000883098874 1302248106 /nfs/dbraw/zinc/24/81/06/1302248106.db2.gz CAJRPPHYFKVQMF-MRXNPFEDSA-N 1 1 338.398 3.084 20 10 EGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(N2CCNC2=O)cc1 ZINC000883152449 1302274144 /nfs/dbraw/zinc/27/41/44/1302274144.db2.gz VTSNGAZGIFQZDK-NSHDSACASA-N 1 1 347.365 3.051 20 10 EGCDMO Cc1cc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)oc1C ZINC000883290217 1302368896 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)c1 ZINC000768296699 1302875532 /nfs/dbraw/zinc/87/55/32/1302875532.db2.gz ZHAXULIOYHIUFD-OYYNGEPBSA-N 1 1 333.428 3.035 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)[C@@H](O)CO2 ZINC000768445844 1302906377 /nfs/dbraw/zinc/90/63/77/1302906377.db2.gz INACFCXPJCRWMM-LIRRHRJNSA-N 1 1 343.398 3.022 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000768447659 1302907256 /nfs/dbraw/zinc/90/72/56/1302907256.db2.gz AQQCWYKXFSBWGZ-UHFFFAOYSA-N 1 1 327.380 3.012 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1cc(OC)c(C)cc1O)C2 ZINC000768447659 1302907267 /nfs/dbraw/zinc/90/72/67/1302907267.db2.gz AQQCWYKXFSBWGZ-UHFFFAOYSA-N 1 1 327.380 3.012 20 10 EGCDMO C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518842 1302922046 /nfs/dbraw/zinc/92/20/46/1302922046.db2.gz JBOQFRAIFMURME-WBVHZDCISA-N 1 1 347.459 3.178 20 10 EGCDMO CC1CCN(CC[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000768541544 1302929990 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CCOc1cccc(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1O ZINC000769496125 1303126809 /nfs/dbraw/zinc/12/68/09/1303126809.db2.gz KKBVLKFBJXKKQT-IRXDYDNUSA-N 1 1 334.460 3.012 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)c1 ZINC000769499244 1303127529 /nfs/dbraw/zinc/12/75/29/1303127529.db2.gz PNIFFKFFNNBVCZ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1ccc(O)c(CN2CC[C@H]([N@H+](C)Cc3ccccc3)C2)c1 ZINC000769499244 1303127534 /nfs/dbraw/zinc/12/75/34/1303127534.db2.gz PNIFFKFFNNBVCZ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1ccc(O)c(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000769499244 1303127538 /nfs/dbraw/zinc/12/75/38/1303127538.db2.gz PNIFFKFFNNBVCZ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769524395 1303134961 /nfs/dbraw/zinc/13/49/61/1303134961.db2.gz DMKATGZGUIRZNC-INIZCTEOSA-N 1 1 335.444 3.487 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCCC[C@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC000769524395 1303134967 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EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cc1 ZINC000773753479 1303734151 /nfs/dbraw/zinc/73/41/51/1303734151.db2.gz BTVQJXSSAWBGPF-KRWDZBQOSA-N 1 1 347.503 3.489 20 10 EGCDMO COc1c(O)c(C[NH2+]CCCOc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000774990317 1303885759 /nfs/dbraw/zinc/88/57/59/1303885759.db2.gz SJZRFWAHAWUVKC-UHFFFAOYSA-N 1 1 346.383 3.176 20 10 EGCDMO Cc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000775665051 1304009651 /nfs/dbraw/zinc/00/96/51/1304009651.db2.gz XOZWNPCFRPNTGT-HNNXBMFYSA-N 1 1 334.460 3.437 20 10 EGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000776292302 1304129761 /nfs/dbraw/zinc/12/97/61/1304129761.db2.gz DZODALYPMPKLGR-GOSISDBHSA-N 1 1 334.419 3.384 20 10 EGCDMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(F)ccc2O)C2CC2)cc1 ZINC000778996826 1304516009 /nfs/dbraw/zinc/51/60/09/1304516009.db2.gz UAILOLDCUPTJAS-UHFFFAOYSA-N 1 1 328.387 3.056 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)ccc1N1CCOCC1 ZINC000779189811 1304539962 /nfs/dbraw/zinc/53/99/62/1304539962.db2.gz BDYHCYKKQJUVFV-GOSISDBHSA-N 1 1 348.462 3.053 20 10 EGCDMO CCC[N@H+]1Cc2cccc(NC(=O)/C=C\c3ccc(O)c(O)c3)c2C1 ZINC000779514697 1304580077 /nfs/dbraw/zinc/58/00/77/1304580077.db2.gz QGLHNLXGSNHCMT-CLFYSBASSA-N 1 1 338.407 3.475 20 10 EGCDMO COCC1(C)CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000779606699 1304586802 /nfs/dbraw/zinc/58/68/02/1304586802.db2.gz XDMHXXWUQVGPLS-UHFFFAOYSA-N 1 1 328.250 3.403 20 10 EGCDMO C[C@H]1CN(C2CCOCC2)CC[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000782900523 1305021659 /nfs/dbraw/zinc/02/16/59/1305021659.db2.gz YVHLBYUWELZGST-INIZCTEOSA-N 1 1 340.467 3.231 20 10 EGCDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1c(O)ccc2ccccc21 ZINC000782900523 1305021666 /nfs/dbraw/zinc/02/16/66/1305021666.db2.gz YVHLBYUWELZGST-INIZCTEOSA-N 1 1 340.467 3.231 20 10 EGCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1c(O)ccc2ccccc21 ZINC000782900523 1305021675 /nfs/dbraw/zinc/02/16/75/1305021675.db2.gz YVHLBYUWELZGST-INIZCTEOSA-N 1 1 340.467 3.231 20 10 EGCDMO CS[C@@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1)C(C)(C)C ZINC000784626489 1305265713 /nfs/dbraw/zinc/26/57/13/1305265713.db2.gz VPXVDYMWLFSORV-SFHVURJKSA-N 1 1 335.561 3.306 20 10 EGCDMO C[C@H](CN1CCCC1=O)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788560146 1305970793 /nfs/dbraw/zinc/97/07/93/1305970793.db2.gz BHQUZJKAIJSGJS-GHMZBOCLSA-N 1 1 330.350 3.073 20 10 EGCDMO Cc1ccc(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)c(=O)n1C ZINC000788793226 1306017948 /nfs/dbraw/zinc/01/79/48/1306017948.db2.gz AQMSVAWIYCWCFF-LLVKDONJSA-N 1 1 340.345 3.269 20 10 EGCDMO CCC1CCC([N@@H+](CCO)Cc2ccc(OC)c(OC)c2O)CC1 ZINC000894008208 1306174106 /nfs/dbraw/zinc/17/41/06/1306174106.db2.gz WYDJTZKPEHFKSO-UHFFFAOYSA-N 1 1 337.460 3.173 20 10 EGCDMO CCCCC[C@@H]([NH2+]C1CCN(c2ccc(OC)cc2)CC1)C(=O)OC ZINC000789575055 1306187010 /nfs/dbraw/zinc/18/70/10/1306187010.db2.gz HOVQOVUUZQUQPY-LJQANCHMSA-N 1 1 348.487 3.376 20 10 EGCDMO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]Cc3ccc4c(c3)CCCO4)nc2c1 ZINC000894057272 1306195016 /nfs/dbraw/zinc/19/50/16/1306195016.db2.gz XDIDZORULNUTTR-UHFFFAOYSA-N 1 1 338.367 3.086 20 10 EGCDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1cc3c(cc1O)CCCC3)C[C@@H](C)O2 ZINC000790401178 1306316846 /nfs/dbraw/zinc/31/68/46/1306316846.db2.gz KDTVEOHZTCYEOR-SXGZJXTBSA-N 1 1 331.456 3.039 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000790694094 1308854136 /nfs/dbraw/zinc/85/41/36/1308854136.db2.gz GPPLSRCFRPTJQL-GFCCVEGCSA-N 1 1 344.367 3.246 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000791129594 1308926350 /nfs/dbraw/zinc/92/63/50/1308926350.db2.gz OOZCYUBWUFMUCC-UHFFFAOYSA-N 1 1 331.504 3.332 20 10 EGCDMO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1OC ZINC000894584839 1308966437 /nfs/dbraw/zinc/96/64/37/1308966437.db2.gz LZKBBLOYZKHDPI-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO COc1ccc(C[N@H+]2CC(C)(C)[C@@H]2c2cccnc2)c(O)c1OC ZINC000894584839 1308966442 /nfs/dbraw/zinc/96/64/42/1308966442.db2.gz LZKBBLOYZKHDPI-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO CN(C)c1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(F)(F)F)c1 ZINC000792827937 1309239743 /nfs/dbraw/zinc/23/97/43/1309239743.db2.gz FHDFFUOQAFDRRX-ZBFHGGJFSA-N 1 1 341.421 3.440 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000793620231 1309418503 /nfs/dbraw/zinc/41/85/03/1309418503.db2.gz NSHZSZFBLPZHMF-INIZCTEOSA-N 1 1 340.261 3.466 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@]3(C2)CCCOC3)c1 ZINC000793620231 1309418506 /nfs/dbraw/zinc/41/85/06/1309418506.db2.gz NSHZSZFBLPZHMF-INIZCTEOSA-N 1 1 340.261 3.466 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)C[C@]2(CCCOC2)O1 ZINC000794886840 1309616817 /nfs/dbraw/zinc/61/68/17/1309616817.db2.gz BERWRIZZIKDFRM-QRWLVFNGSA-N 1 1 331.456 3.041 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)CN2Cc3c(cccc3Cl)C2=O)cc1 ZINC000795406154 1309744820 /nfs/dbraw/zinc/74/48/20/1309744820.db2.gz QBYSOZJODDXKFX-UHFFFAOYSA-N 1 1 343.858 3.451 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CN2Cc3c(cccc3Cl)C2=O)cc1 ZINC000795406154 1309744826 /nfs/dbraw/zinc/74/48/26/1309744826.db2.gz QBYSOZJODDXKFX-UHFFFAOYSA-N 1 1 343.858 3.451 20 10 EGCDMO COc1cc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c(O)cc1C ZINC000795635666 1309795497 /nfs/dbraw/zinc/79/54/97/1309795497.db2.gz MZQLKYQQMGTTFD-UHFFFAOYSA-N 1 1 345.424 3.453 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2nc(-c3cccs3)no2)c(O)cc1C ZINC000795635666 1309795504 /nfs/dbraw/zinc/79/55/04/1309795504.db2.gz MZQLKYQQMGTTFD-UHFFFAOYSA-N 1 1 345.424 3.453 20 10 EGCDMO Cc1nc(CC2CC[NH+](Cc3cc(Cl)c(F)cc3O)CC2)no1 ZINC000896550308 1309910987 /nfs/dbraw/zinc/91/09/87/1309910987.db2.gz UQQHBTPOHILGHN-UHFFFAOYSA-N 1 1 339.798 3.331 20 10 EGCDMO CC[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(F)cc1O ZINC000796973675 1310118770 /nfs/dbraw/zinc/11/87/70/1310118770.db2.gz RCKVMIAQJRCRBN-MRXNPFEDSA-N 1 1 326.375 3.353 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@H](c3ccncc3)C3CC3)cc2)CC1 ZINC000898323006 1310676683 /nfs/dbraw/zinc/67/66/83/1310676683.db2.gz WBORBGPUGDLUEW-NRFANRHFSA-N 1 1 336.483 3.074 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C[C@H]3CCCC(F)(F)C3)cc2)CC1 ZINC000800274580 1310714857 /nfs/dbraw/zinc/71/48/57/1310714857.db2.gz OXFWKHDCBQUELI-KRWDZBQOSA-N 1 1 337.458 3.354 20 10 EGCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2csc(C3CC3)n2)N(C)C)cc1 ZINC000898452053 1310742302 /nfs/dbraw/zinc/74/23/02/1310742302.db2.gz SUMCENOQIKGASL-GOSISDBHSA-N 1 1 344.528 3.479 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2cc(C)cc(C)c2)c1 ZINC000800993839 1310849310 /nfs/dbraw/zinc/84/93/10/1310849310.db2.gz ZNMXSZGUNKHJBL-LIRRHRJNSA-N 1 1 343.423 3.180 20 10 EGCDMO CCCn1nccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824507179 1320262758 /nfs/dbraw/zinc/26/27/58/1320262758.db2.gz DZZVQWHBCNMRDX-GOSISDBHSA-N 1 1 329.444 3.180 20 10 EGCDMO CCCn1nccc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000824507179 1320262765 /nfs/dbraw/zinc/26/27/65/1320262765.db2.gz DZZVQWHBCNMRDX-GOSISDBHSA-N 1 1 329.444 3.180 20 10 EGCDMO Oc1ccccc1C[N@@H+](Cc1ccnn1CC1CC1)C[C@@H]1CCCO1 ZINC000824507291 1320262840 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CC(C)[N@H+]1CCC[C@H](CNCc2cc(F)c(N(C)C)cc2F)C1 ZINC000858127672 1328689090 /nfs/dbraw/zinc/68/90/90/1328689090.db2.gz MEDULWVQYQXTEX-CQSZACIVSA-N 1 1 325.447 3.241 20 10 EGCDMO CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000808215643 1317645420 /nfs/dbraw/zinc/64/54/20/1317645420.db2.gz BSUNDFADOBCRAN-INIZCTEOSA-N 1 1 330.472 3.009 20 10 EGCDMO C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000903226845 1317676407 /nfs/dbraw/zinc/67/64/07/1317676407.db2.gz IBFGVZVTGJNCPK-NSHDSACASA-N 1 1 333.259 3.072 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](CO)CCC(C)C)c1 ZINC000858240672 1328719102 /nfs/dbraw/zinc/71/91/02/1328719102.db2.gz CZOMUJGZZYUMNJ-ZDUSSCGKSA-N 1 1 330.266 3.350 20 10 EGCDMO O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000809719006 1317875858 /nfs/dbraw/zinc/87/58/58/1317875858.db2.gz UNWIGVWUCLTKLW-KRWDZBQOSA-N 1 1 332.444 3.416 20 10 EGCDMO O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000809719007 1317876236 /nfs/dbraw/zinc/87/62/36/1317876236.db2.gz UNWIGVWUCLTKLW-QGZVFWFLSA-N 1 1 332.444 3.416 20 10 EGCDMO CC[C@@H](CSC)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809767175 1317895108 /nfs/dbraw/zinc/89/51/08/1317895108.db2.gz GRSGGFYLDKVWDO-HNNXBMFYSA-N 1 1 326.481 3.236 20 10 EGCDMO CCC[N@H+]1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000906109784 1318040511 /nfs/dbraw/zinc/04/05/11/1318040511.db2.gz FVHFEKHSJOUGQX-SFHVURJKSA-N 1 1 329.488 3.025 20 10 EGCDMO COc1cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(O)cc1C ZINC000811784382 1318266288 /nfs/dbraw/zinc/26/62/88/1318266288.db2.gz VBHZCWVQJMVJPX-GOSISDBHSA-N 1 1 338.451 3.346 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](n3cccn3)C2)c(C)n1-c1ccccc1 ZINC000812877213 1318473807 /nfs/dbraw/zinc/47/38/07/1318473807.db2.gz TZCQZIHWXXOEGC-IBGZPJMESA-N 1 1 348.450 3.420 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)c(C)n1-c1ccccc1 ZINC000812877213 1318473813 /nfs/dbraw/zinc/47/38/13/1318473813.db2.gz TZCQZIHWXXOEGC-IBGZPJMESA-N 1 1 348.450 3.420 20 10 EGCDMO 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YWRLUXGUEAUDQF-UHFFFAOYSA-N 1 1 332.831 3.069 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)cc(F)c3)CC2)c(OC)c1 ZINC001143618754 1378625814 /nfs/dbraw/zinc/62/58/14/1378625814.db2.gz FPEAMMFBBVKDCP-UHFFFAOYSA-N 1 1 344.430 3.474 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1c(O)cc(O)cc1O ZINC001144509206 1378738901 /nfs/dbraw/zinc/73/89/01/1378738901.db2.gz OXUIBMKQJMXGIO-UHFFFAOYSA-N 1 1 328.412 3.036 20 10 EGCDMO Cc1ncnc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c1C ZINC001155629716 1380476186 /nfs/dbraw/zinc/47/61/86/1380476186.db2.gz NIKPGKXYQAUTDZ-MTQWCTHYSA-N 1 1 338.499 3.493 20 10 EGCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1N[C@@H](CO)C(C)C)N=[N+]=[N-] ZINC001161737840 1382492273 /nfs/dbraw/zinc/49/22/73/1382492273.db2.gz XPONYDMASICMTH-OWTLUSIOSA-N 1 1 347.419 3.342 20 10 EGCDMO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)c2cccnc2c1O ZINC001169436062 1384148107 /nfs/dbraw/zinc/14/81/07/1384148107.db2.gz VPWOSYNHZBVIKM-GFCCVEGCSA-N 1 1 349.862 3.330 20 10 EGCDMO C[C@H]1CCCC[N@H+]1Cc1ccc(NCc2ccc(O)c(O)c2)nc1 ZINC001169990745 1384211944 /nfs/dbraw/zinc/21/19/44/1384211944.db2.gz MUKMDOOQQUTPHU-AWEZNQCLSA-N 1 1 327.428 3.479 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2cccc(F)c2C1 ZINC001171805742 1384643922 /nfs/dbraw/zinc/64/39/22/1384643922.db2.gz PXWFLVRNGGBYJI-LJQANCHMSA-N 1 1 340.442 3.262 20 10 EGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001320493586 1386626250 /nfs/dbraw/zinc/62/62/50/1386626250.db2.gz AYQLDOVEJWLGSD-LJQANCHMSA-N 1 1 343.515 3.415 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1O ZINC001181506023 1387006952 /nfs/dbraw/zinc/00/69/52/1387006952.db2.gz NBOMIIGNYIJETB-QRWLVFNGSA-N 1 1 327.424 3.174 20 10 EGCDMO COc1c(O)c(C[N@H+](C)[C@H]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC001322149885 1387077990 /nfs/dbraw/zinc/07/79/90/1387077990.db2.gz PONRESOGTIBAOF-RYUDHWBXSA-N 1 1 326.418 3.025 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC001322149885 1387077991 /nfs/dbraw/zinc/07/79/91/1387077991.db2.gz PONRESOGTIBAOF-RYUDHWBXSA-N 1 1 326.418 3.025 20 10 EGCDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1)c1ccccc1O ZINC001329880777 1389244969 /nfs/dbraw/zinc/24/49/69/1389244969.db2.gz CROORKDOCYUPOX-QAPCUYQASA-N 1 1 339.439 3.019 20 10 EGCDMO C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1)c1ccccc1O ZINC001329880777 1389244971 /nfs/dbraw/zinc/24/49/71/1389244971.db2.gz CROORKDOCYUPOX-QAPCUYQASA-N 1 1 339.439 3.019 20 10 EGCDMO CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001337428522 1389341672 /nfs/dbraw/zinc/34/16/72/1389341672.db2.gz FWZZFXBGGMIXTG-GFCCVEGCSA-N 1 1 348.834 3.107 20 10 EGCDMO COc1cc(N[C@@H]2CCC[N@@H+](Cc3ccc(N)cc3)C2)cc(OC)c1 ZINC001335285473 1390666574 /nfs/dbraw/zinc/66/65/74/1390666574.db2.gz OBQDURWBYGWJRQ-QGZVFWFLSA-N 1 1 341.455 3.363 20 10 EGCDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001343594372 1390725178 /nfs/dbraw/zinc/72/51/78/1390725178.db2.gz BKJXQJSJSOQOMK-LJQANCHMSA-N 1 1 342.512 3.310 20 10 EGCDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001343594372 1390725179 /nfs/dbraw/zinc/72/51/79/1390725179.db2.gz BKJXQJSJSOQOMK-LJQANCHMSA-N 1 1 342.512 3.310 20 10 EGCDMO CCC[N@@H+](Cc1ccc(Br)cc1O)[C@H]1CCN(C)C1 ZINC001350625479 1391493809 /nfs/dbraw/zinc/49/38/09/1391493809.db2.gz CGGQRVHJEINQTO-AWEZNQCLSA-N 1 1 327.266 3.071 20 10 EGCDMO OC[C@@H]1C[N@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1c1ccccc1 ZINC001353593361 1392045979 /nfs/dbraw/zinc/04/59/79/1392045979.db2.gz NFIKLBMFHDUVEU-DOTOQJQBSA-N 1 1 333.378 3.268 20 10 EGCDMO OC[C@@H]1C[N@@H+](Cc2cc(F)cc(F)c2O)CC[C@@H]1c1ccccc1 ZINC001353593361 1392045983 /nfs/dbraw/zinc/04/59/83/1392045983.db2.gz NFIKLBMFHDUVEU-DOTOQJQBSA-N 1 1 333.378 3.268 20 10 EGCDMO CC(C)N(CC[N@@H+](C)C(C)C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001755815632 1440923424 /nfs/dbraw/zinc/92/34/24/1440923424.db2.gz QIJHORMCYIHASG-UHFFFAOYSA-N 1 1 333.436 3.040 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccc(Br)cc1 ZINC000264593631 455244479 /nfs/dbraw/zinc/24/44/79/455244479.db2.gz HMYOMQYTVZCEJN-INIZCTEOSA-N 1 1 336.229 3.320 20 10 EGCDMO Cc1nc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000264636431 455254035 /nfs/dbraw/zinc/25/40/35/455254035.db2.gz VACMYGYOHRVWJZ-GFCCVEGCSA-N 1 1 335.448 3.278 20 10 EGCDMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000183251260 455261625 /nfs/dbraw/zinc/26/16/25/455261625.db2.gz QLZRGPXKRGBVFE-ZDUSSCGKSA-N 1 1 326.375 3.305 20 10 EGCDMO CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc(OC)c1O ZINC000120302076 454283802 /nfs/dbraw/zinc/28/38/02/454283802.db2.gz FCHRPLLKLGIFLR-UHFFFAOYSA-N 1 1 331.412 3.440 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1ccc2c[nH]nc2c1)C[C@@H]1CCCO1 ZINC000160175082 455435365 /nfs/dbraw/zinc/43/53/65/455435365.db2.gz MYAXQOMNVHCYLQ-SFHVURJKSA-N 1 1 337.423 3.450 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c(O)c1 ZINC000091833049 454478333 /nfs/dbraw/zinc/47/83/33/454478333.db2.gz XTYUEGQBXCIWNQ-HNNXBMFYSA-N 1 1 331.416 3.252 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093504817 454719591 /nfs/dbraw/zinc/71/95/91/454719591.db2.gz XJZGNDBWEZLPJL-IAQYHMDHSA-N 1 1 326.234 3.156 20 10 EGCDMO COCCCn1c(C)cc(C(=O)C[N@H+](C)Cc2ccccc2O)c1C ZINC000111235726 454859153 /nfs/dbraw/zinc/85/91/53/454859153.db2.gz HIYWPVRAJGTTKJ-UHFFFAOYSA-N 1 1 344.455 3.162 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1ccc(F)cc1O ZINC000184894175 455469151 /nfs/dbraw/zinc/46/91/51/455469151.db2.gz ZTQDRCLJFQUGEU-OAHLLOKOSA-N 1 1 344.430 3.214 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCO[C@@]2(CCSC2)C1 ZINC000191365321 455481006 /nfs/dbraw/zinc/48/10/06/455481006.db2.gz VPPKSDKIGLXJQX-BONVTDFDSA-N 1 1 331.840 3.329 20 10 EGCDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccc(OC)c1O ZINC000179557584 455058088 /nfs/dbraw/zinc/05/80/88/455058088.db2.gz KBPQDOWPQYGLAF-QGZVFWFLSA-N 1 1 343.423 3.007 20 10 EGCDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(OC)c1O ZINC000179557584 455058092 /nfs/dbraw/zinc/05/80/92/455058092.db2.gz KBPQDOWPQYGLAF-QGZVFWFLSA-N 1 1 343.423 3.007 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000179654482 455064399 /nfs/dbraw/zinc/06/43/99/455064399.db2.gz UCNGLVNLPMVZBM-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c1 ZINC000179654482 455064400 /nfs/dbraw/zinc/06/44/00/455064400.db2.gz UCNGLVNLPMVZBM-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO COc1cc(O)c(C[N@H+](Cc2ccco2)C[C@@H]2CCCO2)cc1OC ZINC000179838482 455087187 /nfs/dbraw/zinc/08/71/87/455087187.db2.gz KKBFNCIRCHGQRS-INIZCTEOSA-N 1 1 347.411 3.184 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000179928614 455100569 /nfs/dbraw/zinc/10/05/69/455100569.db2.gz HUSHIHZMFQTPOE-KRWDZBQOSA-N 1 1 343.402 3.236 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)cc1OC ZINC000184813712 455451976 /nfs/dbraw/zinc/45/19/76/455451976.db2.gz RAVXBPJBOYAIEE-HXUWFJFHSA-N 1 1 341.407 3.041 20 10 EGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cc1O ZINC000184979609 455480170 /nfs/dbraw/zinc/48/01/70/455480170.db2.gz KSPSIVNZGMOXNH-LBPRGKRZSA-N 1 1 332.375 3.080 20 10 EGCDMO Cc1ccc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(O)c1O ZINC000182446044 455515685 /nfs/dbraw/zinc/51/56/85/455515685.db2.gz CVAXFLNCPIHJFH-HOTGVXAUSA-N 1 1 346.471 3.133 20 10 EGCDMO CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461185 455561441 /nfs/dbraw/zinc/56/14/41/455561441.db2.gz CJRIKSOQYPFCCS-RVKKMQEKSA-N 1 1 338.467 3.319 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@](=O)C1 ZINC000277569235 455601377 /nfs/dbraw/zinc/60/13/77/455601377.db2.gz SMLLWYOSWKZCJL-NPMXOYFQSA-N 1 1 329.465 3.260 20 10 EGCDMO C[C@H]([NH2+]CCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1O ZINC000186013504 455674598 /nfs/dbraw/zinc/67/45/98/455674598.db2.gz AEVKIBQCDQQAOB-LBPRGKRZSA-N 1 1 334.366 3.141 20 10 EGCDMO C[C@H]([NH2+]C1CCC(O)(c2cccnc2)CC1)c1ccc(F)cc1O ZINC000186359835 455751465 /nfs/dbraw/zinc/75/14/65/455751465.db2.gz GIHHUPKCWYPZJH-ISWZSGDOSA-N 1 1 330.403 3.407 20 10 EGCDMO COCCOCC[N@@H+](Cc1ccccc1)Cc1cc(OC)ccc1O ZINC000271883567 455798068 /nfs/dbraw/zinc/79/80/68/455798068.db2.gz VPCQECVULVJKBB-UHFFFAOYSA-N 1 1 345.439 3.066 20 10 EGCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772719 455828085 /nfs/dbraw/zinc/82/80/85/455828085.db2.gz KGYBOFVXKSYBKC-UONOGXRCSA-N 1 1 334.460 3.075 20 10 EGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cs1 ZINC000269442135 455848397 /nfs/dbraw/zinc/84/83/97/455848397.db2.gz SYMXHVLVOUFHBY-LBPRGKRZSA-N 1 1 349.475 3.403 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000278922895 455852462 /nfs/dbraw/zinc/85/24/62/455852462.db2.gz VBHGTACAFSVYJP-CQSZACIVSA-N 1 1 332.331 3.225 20 10 EGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295741552 455858426 /nfs/dbraw/zinc/85/84/26/455858426.db2.gz MUVHTYFBRDINLX-OAQYLSRUSA-N 1 1 346.515 3.286 20 10 EGCDMO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1O ZINC000285694375 455898394 /nfs/dbraw/zinc/89/83/94/455898394.db2.gz OOWSXTWTOWBOQY-MRXNPFEDSA-N 1 1 346.402 3.470 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)Cc2cccs2)cc1)c1ncnn1C ZINC000296745090 456026728 /nfs/dbraw/zinc/02/67/28/456026728.db2.gz KENXHKSVPJNMQT-CQSZACIVSA-N 1 1 341.484 3.364 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693288 456042506 /nfs/dbraw/zinc/04/25/06/456042506.db2.gz XHYRWLFMDCDHJE-LSDHHAIUSA-N 1 1 334.460 3.436 20 10 EGCDMO COC1CCN(c2ccc(Cn3c[nH+]c4c3CCCC4)cc2)CC1 ZINC000296990364 456085790 /nfs/dbraw/zinc/08/57/90/456085790.db2.gz ZNXPUHRICYPXHC-UHFFFAOYSA-N 1 1 325.456 3.425 20 10 EGCDMO CC[N@@H+](Cc1c(C)cnn1C)Cc1cc(Br)ccc1O ZINC000289302205 456120513 /nfs/dbraw/zinc/12/05/13/456120513.db2.gz RBYCXWQRQBZODJ-UHFFFAOYSA-N 1 1 338.249 3.219 20 10 EGCDMO CCCOc1ncccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000273423050 456230076 /nfs/dbraw/zinc/23/00/76/456230076.db2.gz SNCXBBICNIPXLW-CYBMUJFWSA-N 1 1 344.411 3.213 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)c1 ZINC000273443082 456232011 /nfs/dbraw/zinc/23/20/11/456232011.db2.gz DMWKREFUOOLULE-RVSPLBMKSA-N 1 1 335.444 3.423 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000290190974 456262953 /nfs/dbraw/zinc/26/29/53/456262953.db2.gz ORVYLFACSJKSJI-FQEVSTJZSA-N 1 1 329.415 3.267 20 10 EGCDMO COc1ccnc(C[N@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1OC ZINC000276387355 456464901 /nfs/dbraw/zinc/46/49/01/456464901.db2.gz ACYOVSASEVBASF-UHFFFAOYSA-N 1 1 341.455 3.329 20 10 EGCDMO COc1ccnc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1OC ZINC000276387355 456464909 /nfs/dbraw/zinc/46/49/09/456464909.db2.gz ACYOVSASEVBASF-UHFFFAOYSA-N 1 1 341.455 3.329 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(C)cc(Cl)n2)c1 ZINC000282456798 456520749 /nfs/dbraw/zinc/52/07/49/456520749.db2.gz FTDMPAZDYMEMIZ-NSHDSACASA-N 1 1 334.803 3.386 20 10 EGCDMO COCCn1cc(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)cn1 ZINC000282490043 456529920 /nfs/dbraw/zinc/52/99/20/456529920.db2.gz HQVHHGDOGVPCLT-JTQLQIEISA-N 1 1 344.242 3.393 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1O ZINC000291160940 456550625 /nfs/dbraw/zinc/55/06/25/456550625.db2.gz CKFAYRHGUICWTR-OAQYLSRUSA-N 1 1 341.451 3.218 20 10 EGCDMO COCC[C@@H]1COCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000291359729 456618543 /nfs/dbraw/zinc/61/85/43/456618543.db2.gz YDGMSKONKVSQPY-LJQANCHMSA-N 1 1 327.424 3.297 20 10 EGCDMO CCOCc1cc(C[NH2+]C2CCN(C3CCC3)CC2)ccc1OC ZINC000299478692 456706592 /nfs/dbraw/zinc/70/65/92/456706592.db2.gz ZYNWBOZZQOGJGV-UHFFFAOYSA-N 1 1 332.488 3.338 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NCCCn1cc[nH+]c1C ZINC000283635551 456816637 /nfs/dbraw/zinc/81/66/37/456816637.db2.gz BXOQIJIKPHVQON-UHFFFAOYSA-N 1 1 344.459 3.299 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000352122908 457340376 /nfs/dbraw/zinc/34/03/76/457340376.db2.gz UNMRKDUNGWCGSH-HXUWFJFHSA-N 1 1 347.462 3.377 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000352122908 457340381 /nfs/dbraw/zinc/34/03/81/457340381.db2.gz UNMRKDUNGWCGSH-HXUWFJFHSA-N 1 1 347.462 3.377 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CCCC3CCOCC3)CC2)cc1 ZINC000364068435 457476873 /nfs/dbraw/zinc/47/68/73/457476873.db2.gz SETCGFWEHCVHIT-UHFFFAOYSA-N 1 1 332.488 3.414 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC3(CCOCC3)CC2)cc1 ZINC000364238462 457540761 /nfs/dbraw/zinc/54/07/61/457540761.db2.gz RPDYWRYYMJYXBV-UHFFFAOYSA-N 1 1 332.488 3.304 20 10 EGCDMO COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000364300657 457554701 /nfs/dbraw/zinc/55/47/01/457554701.db2.gz LSYSHGVTWUAVRN-LBPRGKRZSA-N 1 1 325.368 3.302 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3ccccc31)C[C@@H](C)O2 ZINC000369383694 458197501 /nfs/dbraw/zinc/19/75/01/458197501.db2.gz NAFKJPKAMBNHEI-QEEYODRMSA-N 1 1 327.424 3.314 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000280693886 547373376 /nfs/dbraw/zinc/37/33/76/547373376.db2.gz VYHAOQDPKDMQKV-OAHLLOKOSA-N 1 1 330.394 3.364 20 10 EGCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(N(CC)CC)cc1 ZINC000727225925 574655000 /nfs/dbraw/zinc/65/50/00/574655000.db2.gz RVLUPSILAYQCQY-INIZCTEOSA-N 1 1 334.508 3.062 20 10 EGCDMO CCc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)ncn1 ZINC000733191975 575319152 /nfs/dbraw/zinc/31/91/52/575319152.db2.gz VBFSBJCKBWNTFH-INIZCTEOSA-N 1 1 346.862 3.475 20 10 EGCDMO CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1cc(Br)ccc1[O-] ZINC000051693246 1291683770 /nfs/dbraw/zinc/68/37/70/1291683770.db2.gz INLIXJNBNZDOLS-YIZWMMSDSA-N 1 1 327.266 3.465 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@]1(C)CO ZINC000827699612 1292357490 /nfs/dbraw/zinc/35/74/90/1292357490.db2.gz JQVMVKXNMXLOLI-HRAATJIYSA-N 1 1 341.451 3.422 20 10 EGCDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000827930111 1292404050 /nfs/dbraw/zinc/40/40/50/1292404050.db2.gz BLTHWVJPWXEHIV-AEFFLSMTSA-N 1 1 338.451 3.482 20 10 EGCDMO [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000827951392 1292411527 /nfs/dbraw/zinc/41/15/27/1292411527.db2.gz YMOGAGMMUMYHNM-ZDUSSCGKSA-N 1 1 326.843 3.396 20 10 EGCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C(C)(C)C1 ZINC000828711845 1292492411 /nfs/dbraw/zinc/49/24/11/1292492411.db2.gz QNWBKRCRMLAOIN-UHFFFAOYSA-N 1 1 343.515 3.428 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000830213581 1292687490 /nfs/dbraw/zinc/68/74/90/1292687490.db2.gz JQNQZFLYLNRIBP-NRFANRHFSA-N 1 1 344.499 3.303 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)CCOc2ccccc2OC)c1 ZINC000091900194 1292845928 /nfs/dbraw/zinc/84/59/28/1292845928.db2.gz LRZCKTYKPYWHCI-UHFFFAOYSA-N 1 1 331.412 3.310 20 10 EGCDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000092400493 1292866990 /nfs/dbraw/zinc/86/69/90/1292866990.db2.gz IKKDLSXOPNAOQB-DOTOQJQBSA-N 1 1 348.487 3.308 20 10 EGCDMO C[C@H](c1cccnc1)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000093413320 1292921045 /nfs/dbraw/zinc/92/10/45/1292921045.db2.gz LJGBPLNAVWUIQU-CQSZACIVSA-N 1 1 331.847 3.319 20 10 EGCDMO COc1cccc(C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000093512532 1292922880 /nfs/dbraw/zinc/92/28/80/1292922880.db2.gz PABMZUGRXYDXLQ-KRWDZBQOSA-N 1 1 340.423 3.028 20 10 EGCDMO Oc1c(Br)cccc1CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597722 1292926230 /nfs/dbraw/zinc/92/62/30/1292926230.db2.gz UVLZDQYCXDUMDM-CYBMUJFWSA-N 1 1 339.277 3.072 20 10 EGCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735023 1292930973 /nfs/dbraw/zinc/93/09/73/1292930973.db2.gz BQQWPKRRGZBTMT-UHFFFAOYSA-N 1 1 338.879 3.122 20 10 EGCDMO C[C@H]([NH2+]Cc1nn(C)cc1Cl)c1ccc(Br)cc1O ZINC000834881868 1293162786 /nfs/dbraw/zinc/16/27/86/1293162786.db2.gz CMHSDXVGLPDZJU-QMMMGPOBSA-N 1 1 344.640 3.392 20 10 EGCDMO C[C@H]([NH2+][C@H]1C[C@H]2CCCCN2C1=O)c1cccc(C(F)(F)F)c1O ZINC000834913976 1293174999 /nfs/dbraw/zinc/17/49/99/1293174999.db2.gz JSLGPLVFMNKRIX-WDMOLILDSA-N 1 1 342.361 3.215 20 10 EGCDMO CC(=O)c1ccc(N2CC[NH+](Cc3cc(C)ccc3O)CC2)c(F)c1 ZINC000121722270 1293387071 /nfs/dbraw/zinc/38/70/71/1293387071.db2.gz AZIUUFHUBJTRCR-UHFFFAOYSA-N 1 1 342.414 3.365 20 10 EGCDMO CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Br)cc(C)c1O ZINC000124510977 1293477233 /nfs/dbraw/zinc/47/72/33/1293477233.db2.gz ZXLXXWXBZGCLDC-SMDDNHRTSA-N 1 1 328.250 3.462 20 10 EGCDMO CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Br)cc(C)c1O ZINC000124510977 1293477236 /nfs/dbraw/zinc/47/72/36/1293477236.db2.gz ZXLXXWXBZGCLDC-SMDDNHRTSA-N 1 1 328.250 3.462 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CSCCS1 ZINC000125164199 1293497856 /nfs/dbraw/zinc/49/78/56/1293497856.db2.gz UGJBMHUAIXMXEN-JTQLQIEISA-N 1 1 334.304 3.093 20 10 EGCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)cc(C(C)(C)C)c2O)C1 ZINC000125399540 1293505853 /nfs/dbraw/zinc/50/58/53/1293505853.db2.gz WQTDSRSPEATKMM-MRXNPFEDSA-N 1 1 332.488 3.346 20 10 EGCDMO Cc1nc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000126631724 1293539932 /nfs/dbraw/zinc/53/99/32/1293539932.db2.gz BOMFFUOANAOERA-GFCCVEGCSA-N 1 1 335.448 3.278 20 10 EGCDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000131795000 1293701439 /nfs/dbraw/zinc/70/14/39/1293701439.db2.gz VPIPMNWJJYGARM-UHFFFAOYSA-N 1 1 328.431 3.337 20 10 EGCDMO CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000159956453 1294252432 /nfs/dbraw/zinc/25/24/32/1294252432.db2.gz ORABNCKEBCKSDY-HZPDHXFCSA-N 1 1 348.487 3.226 20 10 EGCDMO C[N@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1O ZINC000171936882 1294423277 /nfs/dbraw/zinc/42/32/77/1294423277.db2.gz SBJXYXZFYVCGCS-UHFFFAOYSA-N 1 1 327.409 3.072 20 10 EGCDMO C[N@@H+](CC(=O)Nc1nc2ccccc2s1)Cc1ccccc1O ZINC000171936882 1294423280 /nfs/dbraw/zinc/42/32/80/1294423280.db2.gz SBJXYXZFYVCGCS-UHFFFAOYSA-N 1 1 327.409 3.072 20 10 EGCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000178205304 1294722035 /nfs/dbraw/zinc/72/20/35/1294722035.db2.gz AEMYDCQGEZPKBO-LSDHHAIUSA-N 1 1 346.471 3.233 20 10 EGCDMO CC[N@H+](Cc1cc(OC)c(OC)cc1O)C[C@@H](O)c1ccc(C)cc1 ZINC000180419905 1294887119 /nfs/dbraw/zinc/88/71/19/1294887119.db2.gz XBUKVHJXONCAKZ-GOSISDBHSA-N 1 1 345.439 3.273 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185581561 1295271977 /nfs/dbraw/zinc/27/19/77/1295271977.db2.gz JJDDOBMSHKPLDE-OAHLLOKOSA-N 1 1 335.444 3.345 20 10 EGCDMO CCN1CC[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000246874119 1296373912 /nfs/dbraw/zinc/37/39/12/1296373912.db2.gz DQATYYPPIGOIAF-QFBILLFUSA-N 1 1 333.545 3.060 20 10 EGCDMO COC[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H](C)O1 ZINC000249989423 1296453906 /nfs/dbraw/zinc/45/39/06/1296453906.db2.gz ZQROHUPPKFDAJM-KBPBESRZSA-N 1 1 345.439 3.253 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]C[C@H](C(C)C)N1CCN(C)CC1 ZINC000326522909 1297238562 /nfs/dbraw/zinc/23/85/62/1297238562.db2.gz UXAFYGIYESKIBE-KZNAEPCWSA-N 1 1 345.531 3.111 20 10 EGCDMO C[NH+](C)C1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000715551118 1298280202 /nfs/dbraw/zinc/28/02/02/1298280202.db2.gz FAGNLEKUKVJXFD-UHFFFAOYSA-N 1 1 327.266 3.117 20 10 EGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876601402 1298859181 /nfs/dbraw/zinc/85/91/81/1298859181.db2.gz PTMKETVIIRVDHH-UHFFFAOYSA-N 1 1 334.504 3.285 20 10 EGCDMO Cc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c(O)c1 ZINC000876662854 1298904858 /nfs/dbraw/zinc/90/48/58/1298904858.db2.gz PANQJEYZSXCORY-UHFFFAOYSA-N 1 1 338.451 3.437 20 10 EGCDMO Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1 ZINC000876736194 1298947726 /nfs/dbraw/zinc/94/77/26/1298947726.db2.gz TXVKHLXFGJRPRP-GDBMZVCRSA-N 1 1 334.460 3.436 20 10 EGCDMO CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876761127 1298964828 /nfs/dbraw/zinc/96/48/28/1298964828.db2.gz YSYMPOYKVKHYRI-WOJBJXKFSA-N 1 1 346.515 3.283 20 10 EGCDMO Cc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(O)c1 ZINC000876811903 1299005029 /nfs/dbraw/zinc/00/50/29/1299005029.db2.gz IEPKDWJEGALFDE-ICSRJNTNSA-N 1 1 327.424 3.025 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000749115871 1299145275 /nfs/dbraw/zinc/14/52/75/1299145275.db2.gz UOBOOLMACLGZPX-HXUWFJFHSA-N 1 1 337.467 3.158 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000749115871 1299145282 /nfs/dbraw/zinc/14/52/82/1299145282.db2.gz UOBOOLMACLGZPX-HXUWFJFHSA-N 1 1 337.467 3.158 20 10 EGCDMO Cc1ccc(C[N@@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(O)c1 ZINC000877505534 1299355155 /nfs/dbraw/zinc/35/51/55/1299355155.db2.gz UTAKUDFKBHTVAA-UHFFFAOYSA-N 1 1 334.423 3.446 20 10 EGCDMO CCOC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877585991 1299415276 /nfs/dbraw/zinc/41/52/76/1299415276.db2.gz ZDHXKZYPPYYSLV-IBGZPJMESA-N 1 1 332.488 3.039 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1O ZINC000750826854 1299459674 /nfs/dbraw/zinc/45/96/74/1299459674.db2.gz RNNILXQDTAIJRG-ZDUSSCGKSA-N 1 1 331.387 3.117 20 10 EGCDMO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000878104313 1299751292 /nfs/dbraw/zinc/75/12/92/1299751292.db2.gz UCDMYOPCSQQWLU-UHFFFAOYSA-N 1 1 344.415 3.250 20 10 EGCDMO CCC[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1O ZINC000878152843 1299782366 /nfs/dbraw/zinc/78/23/66/1299782366.db2.gz ZHGLSPMWAKHDQC-UHFFFAOYSA-N 1 1 327.490 3.208 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)N(C)c2ccccc2)c1 ZINC000756413142 1300486222 /nfs/dbraw/zinc/48/62/22/1300486222.db2.gz BYBYSSWHUVUAJI-CABCVRRESA-N 1 1 342.439 3.354 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2COc3ccccc3C2)c1 ZINC000756458141 1300495945 /nfs/dbraw/zinc/49/59/45/1300495945.db2.gz UCBKWQLJHYVKJW-UONOGXRCSA-N 1 1 341.407 3.081 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cc(Br)c(F)cc1O ZINC000756604161 1300529682 /nfs/dbraw/zinc/52/96/82/1300529682.db2.gz DODPCECXFAVTCH-DTWKUNHWSA-N 1 1 342.212 3.439 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)c1cc(F)cc(F)c1O ZINC000756763177 1300562702 /nfs/dbraw/zinc/56/27/02/1300562702.db2.gz VDHXMHNOXPGVAM-ZBEGNZNMSA-N 1 1 338.398 3.255 20 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/nfs/dbraw/zinc/42/31/28/1301423128.db2.gz GGVNVWUXKFLGPQ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CC[C@H]1CN(Cc2cccc(OC)c2O)CC[N@H+]1Cc1ccccc1 ZINC000761218532 1301423130 /nfs/dbraw/zinc/42/31/30/1301423130.db2.gz GGVNVWUXKFLGPQ-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000761509918 1301487699 /nfs/dbraw/zinc/48/76/99/1301487699.db2.gz CAYCQAALSDDFNX-ZDUSSCGKSA-N 1 1 328.250 3.198 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000761509918 1301487704 /nfs/dbraw/zinc/48/77/04/1301487704.db2.gz CAYCQAALSDDFNX-ZDUSSCGKSA-N 1 1 328.250 3.198 20 10 EGCDMO C[N@@H+](Cc1ccc(F)c(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000762123226 1301618113 /nfs/dbraw/zinc/61/81/13/1301618113.db2.gz XALNHKQQQODYFC-INIZCTEOSA-N 1 1 337.778 3.243 20 10 EGCDMO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883289752 1302370522 /nfs/dbraw/zinc/37/05/22/1302370522.db2.gz ZMCUZSCMIJKYDS-CQSZACIVSA-N 1 1 344.528 3.363 20 10 EGCDMO 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EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)cc1C(C)C ZINC000808206991 1317645713 /nfs/dbraw/zinc/64/57/13/1317645713.db2.gz NUSWRDXSUNVPMD-MRXNPFEDSA-N 1 1 330.472 3.268 20 10 EGCDMO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H](C)c1c(O)cccc1F ZINC000903163038 1317666714 /nfs/dbraw/zinc/66/67/14/1317666714.db2.gz WTUDCOHWZZZPQX-SNVBAGLBSA-N 1 1 331.313 3.406 20 10 EGCDMO C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000808442964 1317677963 /nfs/dbraw/zinc/67/79/63/1317677963.db2.gz PGDXUDWLLRONNG-UHFFFAOYSA-N 1 1 349.862 3.061 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000809698099 1317868301 /nfs/dbraw/zinc/86/83/01/1317868301.db2.gz VTOIQSNUKFCZGI-TZIWHRDSSA-N 1 1 339.435 3.439 20 10 EGCDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(F)ccc1O ZINC000809735826 1317883656 /nfs/dbraw/zinc/88/36/56/1317883656.db2.gz UTEPBAFZHCIDQZ-IBGZPJMESA-N 1 1 343.446 3.413 20 10 EGCDMO C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000809755169 1317892473 /nfs/dbraw/zinc/89/24/73/1317892473.db2.gz GWKLJNKJSNKVDA-CYBMUJFWSA-N 1 1 326.843 3.348 20 10 EGCDMO CCOC1CC([N@@H+](C)Cc2cc(Br)cc(C)c2O)C1 ZINC000809773578 1317895938 /nfs/dbraw/zinc/89/59/38/1317895938.db2.gz GEVSCLGALWGPEL-UHFFFAOYSA-N 1 1 328.250 3.462 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000810178010 1317969475 /nfs/dbraw/zinc/96/94/75/1317969475.db2.gz HSFOHTBTAULLNZ-AWEZNQCLSA-N 1 1 328.250 3.104 20 10 EGCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)[C@@H]1[C@H]1CCCO1 ZINC000811510814 1318188477 /nfs/dbraw/zinc/18/84/77/1318188477.db2.gz PNAXQZMNJVGHOW-RTBURBONSA-N 1 1 348.462 3.052 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1 ZINC000811513086 1318189622 /nfs/dbraw/zinc/18/96/22/1318189622.db2.gz PVUNLFIATZKNSM-SFHVURJKSA-N 1 1 338.451 3.428 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c1O ZINC000811784199 1318264708 /nfs/dbraw/zinc/26/47/08/1318264708.db2.gz QEGOJTGKYNWXIW-GOSISDBHSA-N 1 1 338.451 3.346 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000811863973 1318281557 /nfs/dbraw/zinc/28/15/57/1318281557.db2.gz HZPLEYBKPORVTE-MRXNPFEDSA-N 1 1 334.508 3.061 20 10 EGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000812509699 1318404452 /nfs/dbraw/zinc/40/44/52/1318404452.db2.gz JRUMLBGBUWFVCI-KRWDZBQOSA-N 1 1 348.535 3.401 20 10 EGCDMO C=Cc1ccc(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000812773299 1318451075 /nfs/dbraw/zinc/45/10/75/1318451075.db2.gz SRDXGSFHLCKRAW-UHFFFAOYSA-N 1 1 335.495 3.414 20 10 EGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815031243 1318871890 /nfs/dbraw/zinc/87/18/90/1318871890.db2.gz PBRYWCOOMZJLBZ-SFHVURJKSA-N 1 1 331.504 3.189 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1[O-] ZINC000815230658 1318935273 /nfs/dbraw/zinc/93/52/73/1318935273.db2.gz RRJZFZNUXNVMRH-GOSISDBHSA-N 1 1 339.863 3.479 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000815230658 1318935282 /nfs/dbraw/zinc/93/52/82/1318935282.db2.gz RRJZFZNUXNVMRH-GOSISDBHSA-N 1 1 339.863 3.479 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000815230658 1318935295 /nfs/dbraw/zinc/93/52/95/1318935295.db2.gz RRJZFZNUXNVMRH-GOSISDBHSA-N 1 1 339.863 3.479 20 10 EGCDMO CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O)C1CC1 ZINC000815651329 1319037813 /nfs/dbraw/zinc/03/78/13/1319037813.db2.gz QDLGPOSKDORQTB-RTHLEPHNSA-N 1 1 332.213 3.369 20 10 EGCDMO Oc1cc(F)c(Cl)cc1CN1CCN(c2ccc(F)cn2)CC1 ZINC000816611580 1319194115 /nfs/dbraw/zinc/19/41/15/1319194115.db2.gz SOUSAWABISFQND-UHFFFAOYSA-N 1 1 339.773 3.041 20 10 EGCDMO CSC1(C[NH2+]Cc2ccc3ccccc3c2[O-])CC[NH+](C)CC1 ZINC000816615490 1319195836 /nfs/dbraw/zinc/19/58/36/1319195836.db2.gz XPVGAWNTARIHDE-UHFFFAOYSA-N 1 1 330.497 3.462 20 10 EGCDMO CC(C)(CO)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1cccnc1 ZINC000816637472 1319198841 /nfs/dbraw/zinc/19/88/41/1319198841.db2.gz FGPODSGVAFZKLU-MRXNPFEDSA-N 1 1 338.810 3.429 20 10 EGCDMO C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413135 1319352385 /nfs/dbraw/zinc/35/23/85/1319352385.db2.gz UQBSFCQUVLDYRO-OLZOCXBDSA-N 1 1 330.394 3.222 20 10 EGCDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413134 1319352675 /nfs/dbraw/zinc/35/26/75/1319352675.db2.gz UQBSFCQUVLDYRO-CHWSQXEVSA-N 1 1 330.394 3.222 20 10 EGCDMO COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938799 1319466830 /nfs/dbraw/zinc/46/68/30/1319466830.db2.gz SMNVXGLFPJVFRW-KUHUBIRLSA-N 1 1 343.471 3.120 20 10 EGCDMO COc1cccc2c1CC[C@@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938758 1319466878 /nfs/dbraw/zinc/46/68/78/1319466878.db2.gz RPDBQDFNZXIEQK-MOPGFXCFSA-N 1 1 325.456 3.038 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942559 1319470881 /nfs/dbraw/zinc/47/08/81/1319470881.db2.gz PMYRGEYVVMGTGA-RDTXWAMCSA-N 1 1 342.443 3.320 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(Br)ccc1[O-] ZINC000817960418 1319477722 /nfs/dbraw/zinc/47/77/22/1319477722.db2.gz NANBZWNVXBJQAA-MJVIPROJSA-N 1 1 327.266 3.323 20 10 EGCDMO COCC1(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC[NH2+]CC1 ZINC000817975833 1319482274 /nfs/dbraw/zinc/48/22/74/1319482274.db2.gz XXOIYUAZFCUPQO-HNNXBMFYSA-N 1 1 328.456 3.212 20 10 EGCDMO CN(c1ccc(CNC[C@H](O)C[N@@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979977 1319602235 /nfs/dbraw/zinc/60/22/35/1319602235.db2.gz FGCJEZJKUCVOOU-NRFANRHFSA-N 1 1 345.531 3.000 20 10 EGCDMO CN(C[C@@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)C1CC1 ZINC000818979977 1319602246 /nfs/dbraw/zinc/60/22/46/1319602246.db2.gz FGCJEZJKUCVOOU-NRFANRHFSA-N 1 1 345.531 3.000 20 10 EGCDMO CC[N@@H+](Cc1cc(C)c(C(=O)OC)o1)Cc1ccc(N(C)C)cc1 ZINC000917031003 1319741482 /nfs/dbraw/zinc/74/14/82/1319741482.db2.gz RKAASLZTBSLKRQ-UHFFFAOYSA-N 1 1 330.428 3.463 20 10 EGCDMO COc1ccc(OCC[N@@H+](C)Cc2cc(C)cc(OC)c2O)cc1 ZINC000917066818 1319746911 /nfs/dbraw/zinc/74/69/11/1319746911.db2.gz SQADKTQJTORINW-UHFFFAOYSA-N 1 1 331.412 3.229 20 10 EGCDMO C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074107 1319749121 /nfs/dbraw/zinc/74/91/21/1319749121.db2.gz PUITUVMGEFOPQJ-OXJNMPFZSA-N 1 1 343.515 3.412 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000918582490 1319975935 /nfs/dbraw/zinc/97/59/35/1319975935.db2.gz TUPQGONSWHFHHJ-UXHICEINSA-N 1 1 337.467 3.451 20 10 EGCDMO COc1cc(F)cc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000823390771 1320174657 /nfs/dbraw/zinc/17/46/57/1320174657.db2.gz JRFDSEPNTASAON-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC3(C2)OCCO3)cc1 ZINC000823432148 1320179054 /nfs/dbraw/zinc/17/90/54/1320179054.db2.gz DBASIMDBKOZGAI-UHFFFAOYSA-N 1 1 344.480 3.333 20 10 EGCDMO COC[C@]1(C)CC[N@@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000824576190 1320266430 /nfs/dbraw/zinc/26/64/30/1320266430.db2.gz CNXGBQXJRHETIE-OAHLLOKOSA-N 1 1 344.249 3.022 20 10 EGCDMO CN(C)C(=O)O[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000824576363 1320266672 /nfs/dbraw/zinc/26/66/72/1320266672.db2.gz KPZDFIULZCMDTO-SFHVURJKSA-N 1 1 340.423 3.332 20 10 EGCDMO CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824815185 1320288127 /nfs/dbraw/zinc/28/81/27/1320288127.db2.gz JJPQIBGJLZCLGP-DNVCBOLYSA-N 1 1 347.459 3.442 20 10 EGCDMO Fc1cc(C[N@H+]2C[C@H](C3CC3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000824942033 1320298825 /nfs/dbraw/zinc/29/88/25/1320298825.db2.gz USEBFGJHYLAXNE-YLJYHZDGSA-N 1 1 330.447 3.283 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)C2CCSCC2)cc1F ZINC000825129666 1320313837 /nfs/dbraw/zinc/31/38/37/1320313837.db2.gz ACAGRIZAAJBRPT-UHFFFAOYSA-N 1 1 340.508 3.362 20 10 EGCDMO CCOc1cccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2O)c1 ZINC000825299279 1320324488 /nfs/dbraw/zinc/32/44/88/1320324488.db2.gz GOAXQCOTDBRMLD-UHFFFAOYSA-N 1 1 335.831 3.439 20 10 EGCDMO C[N@H+](Cc1ccc(Br)cc1O)C[C@H]1CCCC[C@H]1O ZINC000825446038 1320338905 /nfs/dbraw/zinc/33/89/05/1320338905.db2.gz HEYRALYDWIWUAT-BXUZGUMPSA-N 1 1 328.250 3.138 20 10 EGCDMO C[C@H](CO)[N@H+](Cc1ccc(Br)cc1O)CC1CCC1 ZINC000825815581 1320364169 /nfs/dbraw/zinc/36/41/69/1320364169.db2.gz CWPDRAYHHQDYFR-LLVKDONJSA-N 1 1 328.250 3.138 20 10 EGCDMO COc1cccc(C[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)c1O ZINC000826809243 1320405739 /nfs/dbraw/zinc/40/57/39/1320405739.db2.gz HTAWDBCUQCPADT-UHFFFAOYSA-N 1 1 338.448 3.136 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000837725751 1320674388 /nfs/dbraw/zinc/67/43/88/1320674388.db2.gz RJPLHYCASZINJG-SFHVURJKSA-N 1 1 346.519 3.064 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCCC3=O)CC2)cc1 ZINC000839666556 1320956958 /nfs/dbraw/zinc/95/69/58/1320956958.db2.gz OOTGNEPHPUCDRA-LJQANCHMSA-N 1 1 329.488 3.120 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1Cl ZINC000840185361 1321045525 /nfs/dbraw/zinc/04/55/25/1321045525.db2.gz YTTZAILHPFRVDG-UHFFFAOYSA-N 1 1 335.787 3.415 20 10 EGCDMO Oc1ccc(Br)cc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000840973476 1321191124 /nfs/dbraw/zinc/19/11/24/1321191124.db2.gz NVSWWSCQMCHKSU-UHFFFAOYSA-N 1 1 340.246 3.173 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000841042778 1321207835 /nfs/dbraw/zinc/20/78/35/1321207835.db2.gz OCXPPYPQWGLCER-NRFANRHFSA-N 1 1 339.483 3.331 20 10 EGCDMO [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000841083905 1321215800 /nfs/dbraw/zinc/21/58/00/1321215800.db2.gz SZEPVXFGBMYPSD-HAQNSBGRSA-N 1 1 327.266 3.009 20 10 EGCDMO C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299954 1321249424 /nfs/dbraw/zinc/24/94/24/1321249424.db2.gz KUASIKKOJNCEPE-HOTGVXAUSA-N 1 1 330.476 3.387 20 10 EGCDMO C[C@@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Cl)cc1O ZINC000841747386 1321305434 /nfs/dbraw/zinc/30/54/34/1321305434.db2.gz QEUJVPFNKQJJFY-CQSZACIVSA-N 1 1 338.879 3.341 20 10 EGCDMO Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841750468 1321306685 /nfs/dbraw/zinc/30/66/85/1321306685.db2.gz XRPPBIFUZFYUQZ-LBPRGKRZSA-N 1 1 336.819 3.418 20 10 EGCDMO 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EGCDMO C[C@@H]1CC[N@H+](Cc2cc(Br)c(F)cc2O)CC[C@]1(C)O ZINC001144298350 1378711850 /nfs/dbraw/zinc/71/18/50/1378711850.db2.gz CDSKFYWGKJPUAN-BMIGLBTASA-N 1 1 346.240 3.277 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2O)CC[C@]1(C)O ZINC001144298350 1378711855 /nfs/dbraw/zinc/71/18/55/1378711855.db2.gz CDSKFYWGKJPUAN-BMIGLBTASA-N 1 1 346.240 3.277 20 10 EGCDMO C[N@H+](Cc1cc(Br)c(F)cc1[O-])C[C@H]1CCCCO1 ZINC001144299598 1378712403 /nfs/dbraw/zinc/71/24/03/1378712403.db2.gz BRADGHUIQVLKEG-LLVKDONJSA-N 1 1 332.213 3.295 20 10 EGCDMO C[N@@H+](Cc1cc(Br)c(F)cc1O)C[C@H]1CCCCO1 ZINC001144299598 1378712405 /nfs/dbraw/zinc/71/24/05/1378712405.db2.gz BRADGHUIQVLKEG-LLVKDONJSA-N 1 1 332.213 3.295 20 10 EGCDMO C[N@H+](Cc1cc(Br)c(F)cc1O)C[C@H]1CCCCO1 ZINC001144299598 1378712409 /nfs/dbraw/zinc/71/24/09/1378712409.db2.gz BRADGHUIQVLKEG-LLVKDONJSA-N 1 1 332.213 3.295 20 10 EGCDMO C[N@H+](Cc1cc(Br)c(F)cc1[O-])CC1CCOCC1 ZINC001144299505 1378713225 /nfs/dbraw/zinc/71/32/25/1378713225.db2.gz YSLXXTWNJFBOKC-UHFFFAOYSA-N 1 1 332.213 3.152 20 10 EGCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001144299010 1378713277 /nfs/dbraw/zinc/71/32/77/1378713277.db2.gz ORPUPNOBWXHOOH-BMIGLBTASA-N 1 1 344.224 3.295 20 10 EGCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001144299010 1378713279 /nfs/dbraw/zinc/71/32/79/1378713279.db2.gz ORPUPNOBWXHOOH-BMIGLBTASA-N 1 1 344.224 3.295 20 10 EGCDMO CCC[N@@H+](CCC[NH+](C)C)Cc1cc(Br)c(F)cc1[O-] ZINC001144307596 1378715345 /nfs/dbraw/zinc/71/53/45/1378715345.db2.gz BDQCUCYLHHEVGZ-UHFFFAOYSA-N 1 1 347.272 3.458 20 10 EGCDMO C[N@@H+](Cc1ccc(Br)cc1)Cc1c(O)cc(O)cc1O ZINC001144509191 1378738839 /nfs/dbraw/zinc/73/88/39/1378738839.db2.gz OLXLSDVBMWOSFG-UHFFFAOYSA-N 1 1 338.201 3.198 20 10 EGCDMO CCc1nccc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)n1 ZINC001155640761 1380477629 /nfs/dbraw/zinc/47/76/29/1380477629.db2.gz LGSOKZOKJCDBLK-XKGFGPFHSA-N 1 1 338.499 3.438 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001328659453 1388799789 /nfs/dbraw/zinc/79/97/89/1388799789.db2.gz KIVZZRNOGBGHDN-KRWDZBQOSA-N 1 1 326.488 3.249 20 10 EGCDMO C[NH+]1C(C)(C)CC(NCc2ccc(N3CCOCC3)cc2)CC1(C)C ZINC001171614294 1384580520 /nfs/dbraw/zinc/58/05/20/1384580520.db2.gz XDLKSGUKOQELAA-UHFFFAOYSA-N 1 1 345.531 3.264 20 10 EGCDMO COC(=O)CCCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001173455157 1384973042 /nfs/dbraw/zinc/97/30/42/1384973042.db2.gz MYFSUHZMZALLKJ-QGZVFWFLSA-N 1 1 348.487 3.077 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC001318371800 1385657596 /nfs/dbraw/zinc/65/75/96/1385657596.db2.gz MNTKAVAMYSWPGP-OAHLLOKOSA-N 1 1 345.874 3.429 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)COc2ccccc2F)c1 ZINC001320118680 1386524925 /nfs/dbraw/zinc/52/49/25/1386524925.db2.gz OZCWCJLSZIIIAS-QWHCGFSZSA-N 1 1 347.386 3.436 20 10 EGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001331566469 1389805182 /nfs/dbraw/zinc/80/51/82/1389805182.db2.gz ALQQMOUFDHIQFH-ZDUSSCGKSA-N 1 1 325.277 3.214 20 10 EGCDMO CCn1cc(C[NH2+]Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)nn1 ZINC001334694037 1390567569 /nfs/dbraw/zinc/56/75/69/1390567569.db2.gz LGIPWXUXXHCFRC-CQSZACIVSA-N 1 1 347.894 3.478 20 10 EGCDMO Nc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC001334754581 1390581809 /nfs/dbraw/zinc/58/18/09/1390581809.db2.gz PHHMWYGICNHSLW-KRWDZBQOSA-N 1 1 334.366 3.444 20 10 EGCDMO Nc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC001334754581 1390581810 /nfs/dbraw/zinc/58/18/10/1390581810.db2.gz PHHMWYGICNHSLW-KRWDZBQOSA-N 1 1 334.366 3.444 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001347041778 1390995361 /nfs/dbraw/zinc/99/53/61/1390995361.db2.gz GERUIXJIVWFHMB-KRWDZBQOSA-N 1 1 333.476 3.188 20 10 EGCDMO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968326 454381988 /nfs/dbraw/zinc/38/19/88/454381988.db2.gz AVTVETHSZXOEBV-UWJYYQICSA-N 1 1 345.531 3.294 20 10 EGCDMO C[C@@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299264 454410394 /nfs/dbraw/zinc/41/03/94/454410394.db2.gz IQGQAUSNBQGPTJ-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO C[C@@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299264 454410400 /nfs/dbraw/zinc/41/04/00/454410400.db2.gz IQGQAUSNBQGPTJ-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO c1cn(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000092069746 454514709 /nfs/dbraw/zinc/51/47/09/454514709.db2.gz BWBWDJGODYJAKF-IBGZPJMESA-N 1 1 339.487 3.181 20 10 EGCDMO C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000134270037 454522540 /nfs/dbraw/zinc/52/25/40/454522540.db2.gz BGRPCMVBQPMBEQ-WBMJQRKESA-N 1 1 336.863 3.172 20 10 EGCDMO CC(C)C(=O)NCC[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000092103955 454523888 /nfs/dbraw/zinc/52/38/88/454523888.db2.gz NJAMCNQZQSNBOX-UHFFFAOYSA-N 1 1 326.440 3.263 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)cc1 ZINC000092149013 454529426 /nfs/dbraw/zinc/52/94/26/454529426.db2.gz MVANUQAORQQYKM-UHFFFAOYSA-N 1 1 343.496 3.162 20 10 EGCDMO CCN(C[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1)CC(F)(F)F ZINC000093771160 454735328 /nfs/dbraw/zinc/73/53/28/454735328.db2.gz KNWABWAZAGKMNC-CQSZACIVSA-N 1 1 330.394 3.407 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000093865658 454741784 /nfs/dbraw/zinc/74/17/84/454741784.db2.gz LLZLBIMQCHBGDR-OAHLLOKOSA-N 1 1 349.228 3.203 20 10 EGCDMO CC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109770206 454835986 /nfs/dbraw/zinc/83/59/86/454835986.db2.gz KMHUKDBNJTXQQF-CYBMUJFWSA-N 1 1 326.396 3.054 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000155190238 454973053 /nfs/dbraw/zinc/97/30/53/454973053.db2.gz YZCBTDZUKVZTFO-UHFFFAOYSA-N 1 1 339.483 3.221 20 10 EGCDMO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179664798 455065022 /nfs/dbraw/zinc/06/50/22/455065022.db2.gz MFWKGKBIGXTRQI-CQSZACIVSA-N 1 1 333.453 3.297 20 10 EGCDMO Cc1cccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1O ZINC000179664798 455065024 /nfs/dbraw/zinc/06/50/24/455065024.db2.gz MFWKGKBIGXTRQI-CQSZACIVSA-N 1 1 333.453 3.297 20 10 EGCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(C)c3O)C2)nc1 ZINC000179729952 455071820 /nfs/dbraw/zinc/07/18/20/455071820.db2.gz LDHNACLLWVSHKV-QGZVFWFLSA-N 1 1 339.439 3.255 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(F)cc1O ZINC000185033238 455488909 /nfs/dbraw/zinc/48/89/09/455488909.db2.gz BQIPPMZEDARWHD-KBPBESRZSA-N 1 1 345.418 3.002 20 10 EGCDMO C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000185414720 455556739 /nfs/dbraw/zinc/55/67/39/455556739.db2.gz XJEMWMYTTDBHQA-FUHWJXTLSA-N 1 1 342.483 3.433 20 10 EGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000185414720 455556742 /nfs/dbraw/zinc/55/67/42/455556742.db2.gz XJEMWMYTTDBHQA-FUHWJXTLSA-N 1 1 342.483 3.433 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412268 455627704 /nfs/dbraw/zinc/62/77/04/455627704.db2.gz XVTNDVSIUWINDX-LBPRGKRZSA-N 1 1 332.835 3.421 20 10 EGCDMO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000186126791 455699137 /nfs/dbraw/zinc/69/91/37/455699137.db2.gz QWTWWKDOELVXCJ-ZTNFWEORSA-N 1 1 332.488 3.119 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000268868592 455715929 /nfs/dbraw/zinc/71/59/29/455715929.db2.gz KXHOSSFUBRTFJD-KGLIPLIRSA-N 1 1 331.439 3.356 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1O ZINC000271902594 455797775 /nfs/dbraw/zinc/79/77/75/455797775.db2.gz ZPBJJGCUMYPPLJ-SMDDNHRTSA-N 1 1 328.250 3.198 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)Oc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278310088 455813856 /nfs/dbraw/zinc/81/38/56/455813856.db2.gz DYXMCXAFRGCJCA-CYBMUJFWSA-N 1 1 346.383 3.175 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@@H](c2ccccc2)O1 ZINC000253358427 455835196 /nfs/dbraw/zinc/83/51/96/455835196.db2.gz OVNMLAHFHVECFW-YJYMSZOUSA-N 1 1 327.380 3.083 20 10 EGCDMO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278463793 455836560 /nfs/dbraw/zinc/83/65/60/455836560.db2.gz FPCZTUNQRYQCOP-TZMCWYRMSA-N 1 1 340.445 3.463 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCCC[C@H]3O)cc2)CC1 ZINC000295070033 455837638 /nfs/dbraw/zinc/83/76/38/455837638.db2.gz WFTDSXCMDPNRPZ-WIYYLYMNSA-N 1 1 346.515 3.285 20 10 EGCDMO COc1c(O)c(C[NH2+]CCOC2CCCCCC2)ccc1[N+](=O)[O-] ZINC000278536004 455839081 /nfs/dbraw/zinc/83/90/81/455839081.db2.gz WAUVCKOJEHDLIT-UHFFFAOYSA-N 1 1 338.404 3.138 20 10 EGCDMO CCCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278575155 455840531 /nfs/dbraw/zinc/84/05/31/455840531.db2.gz DKJFFIHAGHQDEY-UHFFFAOYSA-N 1 1 346.383 3.388 20 10 EGCDMO CCO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)c1ccccc1 ZINC000278631268 455843027 /nfs/dbraw/zinc/84/30/27/455843027.db2.gz IEPIDPVOPAIMDC-INIZCTEOSA-N 1 1 346.383 3.176 20 10 EGCDMO C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000278851931 455850717 /nfs/dbraw/zinc/85/07/17/455850717.db2.gz VPXQCAPYNOVXFA-VFZGTOFNSA-N 1 1 334.243 3.137 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-] ZINC000278893964 455852249 /nfs/dbraw/zinc/85/22/49/455852249.db2.gz QDWRSGGWPAWPTR-NSHDSACASA-N 1 1 334.347 3.169 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C4CC4)C3)cc2)CC1 ZINC000296031273 455867104 /nfs/dbraw/zinc/86/71/04/455867104.db2.gz PEIBGVVSPXZZCU-IIBYNOLFSA-N 1 1 344.499 3.301 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)O[C@H](C4CC4)C3)cc2)CC1 ZINC000296031271 455867407 /nfs/dbraw/zinc/86/74/07/455867407.db2.gz PEIBGVVSPXZZCU-IERDGZPVSA-N 1 1 344.499 3.301 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](COc3ccccc3)C2)cc1OC ZINC000272422516 455946235 /nfs/dbraw/zinc/94/62/35/455946235.db2.gz FAKLTGKJXLFUJY-OAHLLOKOSA-N 1 1 343.423 3.310 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000280421287 455967897 /nfs/dbraw/zinc/96/78/97/455967897.db2.gz ZFAVJSPLVVCPLC-FXAWDEMLSA-N 1 1 330.472 3.057 20 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EGCDMO CCOc1cccc(C[N@H+](C)Cc2cn3ccc(C)cc3n2)c1O ZINC001203617216 1370189315 /nfs/dbraw/zinc/18/93/15/1370189315.db2.gz MEVXKEWPDFXPRV-UHFFFAOYSA-N 1 1 325.412 3.379 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)Cc2cn3ccc(C)cc3n2)c1O ZINC001203617216 1370189320 /nfs/dbraw/zinc/18/93/20/1370189320.db2.gz MEVXKEWPDFXPRV-UHFFFAOYSA-N 1 1 325.412 3.379 20 10 EGCDMO COc1ccc(C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001203627574 1370192227 /nfs/dbraw/zinc/19/22/27/1370192227.db2.gz JLAQECHMWWLWIY-MRXNPFEDSA-N 1 1 326.440 3.107 20 10 EGCDMO COc1ccc(CN2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001203627574 1370192229 /nfs/dbraw/zinc/19/22/29/1370192229.db2.gz JLAQECHMWWLWIY-MRXNPFEDSA-N 1 1 326.440 3.107 20 10 EGCDMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(O)c1 ZINC001203627574 1370192231 /nfs/dbraw/zinc/19/22/31/1370192231.db2.gz JLAQECHMWWLWIY-MRXNPFEDSA-N 1 1 326.440 3.107 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(OC)cc2O)[C@H]1c1ccccc1 ZINC001203634977 1370195535 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3.496 20 10 EGCDMO COc1ccc(O)c(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC001203684578 1370217773 /nfs/dbraw/zinc/21/77/73/1370217773.db2.gz ZUYQTZMYWFBAIA-IAGOWNOFSA-N 1 1 340.467 3.496 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(OC)c(O)c3)CC2)cc1 ZINC001203871553 1370295776 /nfs/dbraw/zinc/29/57/76/1370295776.db2.gz UGASUYWTIKFFNP-UHFFFAOYSA-N 1 1 342.439 3.122 20 10 EGCDMO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC001203935743 1370321369 /nfs/dbraw/zinc/32/13/69/1370321369.db2.gz BVAANZHYVMEWEV-LJQANCHMSA-N 1 1 325.456 3.499 20 10 EGCDMO CCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203936253 1370322056 /nfs/dbraw/zinc/32/20/56/1370322056.db2.gz BNJDUOUAZNSGBL-MRXNPFEDSA-N 1 1 328.460 3.468 20 10 EGCDMO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203937498 1370322775 /nfs/dbraw/zinc/32/27/75/1370322775.db2.gz SNBHVCBGPQFVRA-LJQANCHMSA-N 1 1 325.456 3.499 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@](C)(CF)C2)c1O ZINC001204336675 1370447677 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EGCDMO Oc1c(F)cc(Cl)cc1CN1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001210381546 1372338308 /nfs/dbraw/zinc/33/83/08/1372338308.db2.gz CGKSBIHPTCNBEU-MRXNPFEDSA-N 1 1 334.822 3.201 20 10 EGCDMO COc1ccc(Br)c(C[N@H+](C)C2CC(F)(F)C2)c1O ZINC001231547462 1376262356 /nfs/dbraw/zinc/26/23/56/1376262356.db2.gz GHCLOZKLQAAORO-UHFFFAOYSA-N 1 1 336.176 3.393 20 10 EGCDMO COc1ccc(Br)c(C[N@@H+](C)C2CC(F)(F)C2)c1O ZINC001231547462 1376262357 /nfs/dbraw/zinc/26/23/57/1376262357.db2.gz GHCLOZKLQAAORO-UHFFFAOYSA-N 1 1 336.176 3.393 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2cccc(C)c2O)Cc2cnn(CC)c21 ZINC001231592374 1376273582 /nfs/dbraw/zinc/27/35/82/1376273582.db2.gz MKFCUAXFWGLFBL-QGZVFWFLSA-N 1 1 329.444 3.053 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c1O ZINC001231593700 1376274141 /nfs/dbraw/zinc/27/41/41/1376274141.db2.gz YUJGVFINHKNYNF-RTBURBONSA-N 1 1 336.435 3.471 20 10 EGCDMO Cc1cccc(C[N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC001231593323 1376274456 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CCCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000283697893 456825774 /nfs/dbraw/zinc/82/57/74/456825774.db2.gz QHLHGDRABAHTGW-HNNXBMFYSA-N 1 1 333.476 3.187 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@]1=O ZINC000277447506 456829009 /nfs/dbraw/zinc/82/90/09/456829009.db2.gz JRCMPJISYAKXAX-NPMXOYFQSA-N 1 1 329.465 3.402 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907303 457394230 /nfs/dbraw/zinc/39/42/30/457394230.db2.gz FZMIXPCIPWTPTJ-OAHLLOKOSA-N 1 1 343.383 3.350 20 10 EGCDMO COc1ccc(N2CCC[N@H+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000364873823 457710104 /nfs/dbraw/zinc/71/01/04/457710104.db2.gz TXOTXABBIGFDNQ-UHFFFAOYSA-N 1 1 331.847 3.456 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccc(Cl)cn3)CC2)cc1 ZINC000364873823 457710107 /nfs/dbraw/zinc/71/01/07/457710107.db2.gz TXOTXABBIGFDNQ-UHFFFAOYSA-N 1 1 331.847 3.456 20 10 EGCDMO COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2cc(F)ccc2O)n1 ZINC000365245396 457732663 /nfs/dbraw/zinc/73/26/63/457732663.db2.gz 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ZINC000372603501 458308963 /nfs/dbraw/zinc/30/89/63/458308963.db2.gz ZXNOZMLKCUDLAM-SFHVURJKSA-N 1 1 326.440 3.107 20 10 EGCDMO Cc1c[nH]nc1C[NH2+]C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377760295 458515603 /nfs/dbraw/zinc/51/56/03/458515603.db2.gz JHXZCWMRALHGSI-UHFFFAOYSA-N 1 1 336.386 3.078 20 10 EGCDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472222348 458775167 /nfs/dbraw/zinc/77/51/67/458775167.db2.gz HWJGDGSIEDFYLG-GJZGRUSLSA-N 1 1 342.487 3.111 20 10 EGCDMO OCC1CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)CC1 ZINC000270613614 547342806 /nfs/dbraw/zinc/34/28/06/547342806.db2.gz YTNJEXKOJCEXHH-UHFFFAOYSA-N 1 1 336.439 3.384 20 10 EGCDMO COC(=O)c1coc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000726691583 574566916 /nfs/dbraw/zinc/56/69/16/574566916.db2.gz GEPJXJBUZXIYPE-UHFFFAOYSA-N 1 1 328.412 3.297 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)c1cc(OC)ccc1OC ZINC000727830723 574692887 /nfs/dbraw/zinc/69/28/87/574692887.db2.gz JUNSQAUKVJKTJO-IBGZPJMESA-N 1 1 345.439 3.355 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000731020304 575045023 /nfs/dbraw/zinc/04/50/23/575045023.db2.gz QSPSEDIEVXEATO-INIZCTEOSA-N 1 1 343.496 3.370 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000731018448 575045168 /nfs/dbraw/zinc/04/51/68/575045168.db2.gz SXOSJIZDSLJNAD-LJQANCHMSA-N 1 1 337.467 3.308 20 10 EGCDMO COc1ccccc1[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+]1CCCC1 ZINC000731864127 575213468 /nfs/dbraw/zinc/21/34/68/575213468.db2.gz QARARLOIKKQKMB-OAHLLOKOSA-N 1 1 346.452 3.029 20 10 EGCDMO Cc1nn(C)c2nc(Cl)c(C[N@H+](C)Cc3ccccc3O)cc12 ZINC000732203638 575244341 /nfs/dbraw/zinc/24/43/41/575244341.db2.gz ZUWXLGAPFCFWHZ-UHFFFAOYSA-N 1 1 330.819 3.268 20 10 EGCDMO Cc1nn(C)c2nc(Cl)c(C[N@@H+](C)Cc3ccccc3O)cc12 ZINC000732203638 575244343 /nfs/dbraw/zinc/24/43/43/575244343.db2.gz ZUWXLGAPFCFWHZ-UHFFFAOYSA-N 1 1 330.819 3.268 20 10 EGCDMO C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)c(F)cc1O ZINC000756379975 576084553 /nfs/dbraw/zinc/08/45/53/576084553.db2.gz DPYGXQREXJIMQD-ISVAXAHUSA-N 1 1 344.180 3.271 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000741754888 576717492 /nfs/dbraw/zinc/71/74/92/576717492.db2.gz ZVSDJGZQQHHCKD-UEXGIBASSA-N 1 1 345.531 3.216 20 10 EGCDMO CC[N@@H+]1CCC[C@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608468 576813149 /nfs/dbraw/zinc/81/31/49/576813149.db2.gz FMEPJJXQUANPNN-KRWDZBQOSA-N 1 1 346.475 3.159 20 10 EGCDMO CC[N@H+]1CCC[C@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608468 576813150 /nfs/dbraw/zinc/81/31/50/576813150.db2.gz FMEPJJXQUANPNN-KRWDZBQOSA-N 1 1 346.475 3.159 20 10 EGCDMO Cc1cc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000744795866 576834632 /nfs/dbraw/zinc/83/46/32/576834632.db2.gz OEEORBBCQUQDJN-MRXNPFEDSA-N 1 1 339.483 3.474 20 10 EGCDMO Oc1cc(Br)ccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000691678518 1298135519 /nfs/dbraw/zinc/13/55/19/1298135519.db2.gz PBDPCPLOTFZYCA-UHFFFAOYSA-N 1 1 326.234 3.157 20 10 EGCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000775178203 1303919841 /nfs/dbraw/zinc/91/98/41/1303919841.db2.gz RQZUITUAXGYZPI-HNNXBMFYSA-N 1 1 328.250 3.282 20 10 EGCDMO C[N@@H+](CCCN1CCCC1=O)Cc1ccc(N2CCCCC2)cc1 ZINC000064508054 1292059986 /nfs/dbraw/zinc/05/99/86/1292059986.db2.gz MUZGGYCPIFIYHU-UHFFFAOYSA-N 1 1 329.488 3.121 20 10 EGCDMO COC(C)(C)C[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000828041314 1292423048 /nfs/dbraw/zinc/42/30/48/1292423048.db2.gz ROEAXAZICQYWEX-UHFFFAOYSA-N 1 1 347.434 3.168 20 10 EGCDMO COC(C)(C)C[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000828041314 1292423054 /nfs/dbraw/zinc/42/30/54/1292423054.db2.gz ROEAXAZICQYWEX-UHFFFAOYSA-N 1 1 347.434 3.168 20 10 EGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000829146100 1292547199 /nfs/dbraw/zinc/54/71/99/1292547199.db2.gz IJEBUHBUSCTYIX-BJLQDIEVSA-N 1 1 341.499 3.071 20 10 EGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000829146106 1292547730 /nfs/dbraw/zinc/54/77/30/1292547730.db2.gz IJEBUHBUSCTYIX-NSHGMRRFSA-N 1 1 341.499 3.071 20 10 EGCDMO C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3=CC(=O)CS3)cc2)C1 ZINC000829423567 1292571938 /nfs/dbraw/zinc/57/19/38/1292571938.db2.gz VAKYTDKECQWOBP-CYBMUJFWSA-N 1 1 346.452 3.427 20 10 EGCDMO Cc1cc(O)c(C[NH+]2CCN(C3CCOCC3)CC2)cc1C(C)C ZINC000083114855 1292679251 /nfs/dbraw/zinc/67/92/51/1292679251.db2.gz FKIQPKOWZXGAKR-UHFFFAOYSA-N 1 1 332.488 3.121 20 10 EGCDMO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(Br)c1O ZINC000091892682 1292844018 /nfs/dbraw/zinc/84/40/18/1292844018.db2.gz NCTJTZUHIURRPZ-KGLIPLIRSA-N 1 1 339.277 3.213 20 10 EGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc(Br)c1O ZINC000091892682 1292844029 /nfs/dbraw/zinc/84/40/29/1292844029.db2.gz NCTJTZUHIURRPZ-KGLIPLIRSA-N 1 1 339.277 3.213 20 10 EGCDMO C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc(Br)c1[O-] ZINC000093660074 1292928119 /nfs/dbraw/zinc/92/81/19/1292928119.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 1 1 341.293 3.461 20 10 EGCDMO C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc(Br)c1[O-] ZINC000093660074 1292928125 /nfs/dbraw/zinc/92/81/25/1292928125.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 1 1 341.293 3.461 20 10 EGCDMO C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc(Br)c1[O-] ZINC000093660074 1292928133 /nfs/dbraw/zinc/92/81/33/1292928133.db2.gz TWFKFNRZXMLEOS-AWEZNQCLSA-N 1 1 341.293 3.461 20 10 EGCDMO COc1cccc(C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)c1O ZINC000093811171 1292933418 /nfs/dbraw/zinc/93/34/18/1292933418.db2.gz RHIPICLNVZDWAW-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(CN2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1O ZINC000093811171 1292933428 /nfs/dbraw/zinc/93/34/28/1292933428.db2.gz RHIPICLNVZDWAW-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1O ZINC000093811171 1292933434 /nfs/dbraw/zinc/93/34/34/1292933434.db2.gz RHIPICLNVZDWAW-KRWDZBQOSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cc(Br)cc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)c1O ZINC000093821804 1292933532 /nfs/dbraw/zinc/93/35/32/1292933532.db2.gz FLGGKOPHIVEZFD-ZDUSSCGKSA-N 1 1 346.265 3.002 20 10 EGCDMO CSc1ccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000832932872 1293052526 /nfs/dbraw/zinc/05/25/26/1293052526.db2.gz CAWVWCCVIHPNBU-CQSZACIVSA-N 1 1 336.482 3.208 20 10 EGCDMO CC[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(F)cc1O ZINC000834896231 1293167799 /nfs/dbraw/zinc/16/77/99/1293167799.db2.gz HVLQCYZZBPMERP-YEWWUXTCSA-N 1 1 333.407 3.226 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCCc1ccccc1 ZINC000834896738 1293168430 /nfs/dbraw/zinc/16/84/30/1293168430.db2.gz NHPSJQNRSIVRFU-STQMWFEESA-N 1 1 348.393 3.068 20 10 EGCDMO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000115628771 1293192871 /nfs/dbraw/zinc/19/28/71/1293192871.db2.gz PRCAJIOTUXDIRL-IEBWSBKVSA-N 1 1 334.504 3.230 20 10 EGCDMO CCOCCC[N@H+]1CC[C@@H](NCc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000115628771 1293192873 /nfs/dbraw/zinc/19/28/73/1293192873.db2.gz PRCAJIOTUXDIRL-IEBWSBKVSA-N 1 1 334.504 3.230 20 10 EGCDMO CCOCCCN1CC[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)[C@H](C)C1 ZINC000115628771 1293192877 /nfs/dbraw/zinc/19/28/77/1293192877.db2.gz PRCAJIOTUXDIRL-IEBWSBKVSA-N 1 1 334.504 3.230 20 10 EGCDMO COC(=O)c1cc(C[N@H+](C)Cc2ccc(N(C)C)c(F)c2)oc1C ZINC000122420505 1293411857 /nfs/dbraw/zinc/41/18/57/1293411857.db2.gz DRROKHMWKRBESG-UHFFFAOYSA-N 1 1 334.391 3.212 20 10 EGCDMO COC(=O)c1cc(C[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)oc1C ZINC000122420505 1293411863 /nfs/dbraw/zinc/41/18/63/1293411863.db2.gz DRROKHMWKRBESG-UHFFFAOYSA-N 1 1 334.391 3.212 20 10 EGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000124220228 1293470731 /nfs/dbraw/zinc/47/07/31/1293470731.db2.gz OJZJDGWCNKCKCY-INIZCTEOSA-N 1 1 335.467 3.020 20 10 EGCDMO COc1ccccc1OCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000159906030 1294250552 /nfs/dbraw/zinc/25/05/52/1294250552.db2.gz FPYPTSAYFPWEBA-UHFFFAOYSA-N 1 1 331.412 3.229 20 10 EGCDMO CCOc1ccc2c(c1)C[N@H+](Cc1cc(OC)c(OC)cc1O)CC2 ZINC000160031027 1294254528 /nfs/dbraw/zinc/25/45/28/1294254528.db2.gz MXTJEYSWRWVVKG-UHFFFAOYSA-N 1 1 343.423 3.366 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cccc2c1OCO2)C[C@H]1CCCO1 ZINC000160178101 1294260726 /nfs/dbraw/zinc/26/07/26/1294260726.db2.gz BQTWPWGXGNKMJH-QGZVFWFLSA-N 1 1 341.407 3.302 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c(O)cc1C ZINC000160482364 1294268878 /nfs/dbraw/zinc/26/88/78/1294268878.db2.gz SIJAYTXMXDIHHW-NRFANRHFSA-N 1 1 339.435 3.383 20 10 EGCDMO CCCN1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000161585090 1294295372 /nfs/dbraw/zinc/29/53/72/1294295372.db2.gz DBEGVIPVIWHPSS-KRWDZBQOSA-N 1 1 331.504 3.048 20 10 EGCDMO CCC[NH+]1CCC(N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000161585090 1294295376 /nfs/dbraw/zinc/29/53/76/1294295376.db2.gz DBEGVIPVIWHPSS-KRWDZBQOSA-N 1 1 331.504 3.048 20 10 EGCDMO CCOC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000165035270 1294355798 /nfs/dbraw/zinc/35/57/98/1294355798.db2.gz CTZGAHJVMLDTKD-HNNXBMFYSA-N 1 1 335.444 3.313 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1Cl ZINC000173479814 1294462984 /nfs/dbraw/zinc/46/29/84/1294462984.db2.gz UFLLCVSEXZOAKP-UHFFFAOYSA-N 1 1 331.847 3.204 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccncc1Cl ZINC000173479814 1294462989 /nfs/dbraw/zinc/46/29/89/1294462989.db2.gz UFLLCVSEXZOAKP-UHFFFAOYSA-N 1 1 331.847 3.204 20 10 EGCDMO CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N3CCOCC3)cc2)o1 ZINC000174475724 1294502569 /nfs/dbraw/zinc/50/25/69/1294502569.db2.gz MVPXWIPTOLCUKY-IBGZPJMESA-N 1 1 344.455 3.156 20 10 EGCDMO CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177354167 1294666816 /nfs/dbraw/zinc/66/68/16/1294666816.db2.gz NHYPMMAWPUGJPT-AWEZNQCLSA-N 1 1 338.879 3.412 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1 ZINC000179635350 1294810192 /nfs/dbraw/zinc/81/01/92/1294810192.db2.gz VVQSACLRKUTYNM-INIZCTEOSA-N 1 1 329.396 3.063 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(F)ccc1O ZINC000179884522 1294835633 /nfs/dbraw/zinc/83/56/33/1294835633.db2.gz 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EGCDMO CC[N@@H+](Cc1ccc2ccccc2c1O)[C@@H](C)CS(=O)(=O)CC ZINC000816511990 1319169744 /nfs/dbraw/zinc/16/97/44/1319169744.db2.gz SOPHCWWIKLHDNB-AWEZNQCLSA-N 1 1 335.469 3.191 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521784 1319174977 /nfs/dbraw/zinc/17/49/77/1319174977.db2.gz YPMAIRGXWPHJIO-MISYRCLQSA-N 1 1 340.467 3.229 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521784 1319174980 /nfs/dbraw/zinc/17/49/80/1319174980.db2.gz YPMAIRGXWPHJIO-MISYRCLQSA-N 1 1 340.467 3.229 20 10 EGCDMO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528726 1319175918 /nfs/dbraw/zinc/17/59/18/1319175918.db2.gz PUOZDWXXCHFUFK-MEDUHNTESA-N 1 1 329.799 3.396 20 10 EGCDMO CN(CC[NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)OC(C)(C)C ZINC000816545195 1319179396 /nfs/dbraw/zinc/17/93/96/1319179396.db2.gz HWFNWBBXBIVYMV-UHFFFAOYSA-N 1 1 332.803 3.141 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000816556995 1319181281 /nfs/dbraw/zinc/18/12/81/1319181281.db2.gz ACCJSWIGPWNYIY-LLVKDONJSA-N 1 1 339.773 3.087 20 10 EGCDMO C[C@@H]1CN(CC[N@@H+](C)Cc2ccc3ccccc3c2O)C[C@H](C)O1 ZINC000816594185 1319189761 /nfs/dbraw/zinc/18/97/61/1319189761.db2.gz SCVQUAZQAHJPSS-IYBDPMFKSA-N 1 1 328.456 3.086 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000816630482 1319197476 /nfs/dbraw/zinc/19/74/76/1319197476.db2.gz GCRJUHKKNMZZCN-CQSZACIVSA-N 1 1 340.261 3.343 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](O)C23CCCC3)c1 ZINC000816630482 1319197478 /nfs/dbraw/zinc/19/74/78/1319197478.db2.gz GCRJUHKKNMZZCN-CQSZACIVSA-N 1 1 340.261 3.343 20 10 EGCDMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414039 1319352554 /nfs/dbraw/zinc/35/25/54/1319352554.db2.gz BMKNPYQHIQGSEG-KRWDZBQOSA-N 1 1 343.496 3.095 20 10 EGCDMO CC[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938548 1319466177 /nfs/dbraw/zinc/46/61/77/1319466177.db2.gz MWBGAUBSOXRBGT-MOPGFXCFSA-N 1 1 342.443 3.402 20 10 EGCDMO COc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938379 1319466334 /nfs/dbraw/zinc/46/63/34/1319466334.db2.gz JQDAEYLULBOFNB-SCLBCKFNSA-N 1 1 331.435 3.251 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938378 1319466450 /nfs/dbraw/zinc/46/64/50/1319466450.db2.gz JQDAEYLULBOFNB-FZKQIMNGSA-N 1 1 331.435 3.251 20 10 EGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCc3c2cc(F)cc3F)cc1 ZINC000817942599 1319470140 /nfs/dbraw/zinc/47/01/40/1319470140.db2.gz PUZBYLFZUKRYMZ-MOPGFXCFSA-N 1 1 331.410 3.308 20 10 EGCDMO CC(C)[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cn1 ZINC000817944033 1319472216 /nfs/dbraw/zinc/47/22/16/1319472216.db2.gz WUNNYDJLOKUTDK-MJGOQNOKSA-N 1 1 330.451 3.273 20 10 EGCDMO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000817957831 1319476890 /nfs/dbraw/zinc/47/68/90/1319476890.db2.gz FJOSSJJZXVYOQX-HNAYVOBHSA-N 1 1 349.494 3.221 20 10 EGCDMO C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(Br)cc1[O-] ZINC000817979918 1319484159 /nfs/dbraw/zinc/48/41/59/1319484159.db2.gz FZBGGSHWUXMOIM-WCQYABFASA-N 1 1 327.266 3.338 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000917291992 1319782157 /nfs/dbraw/zinc/78/21/57/1319782157.db2.gz FSPYJLSDRMYTMO-UYAOXDASSA-N 1 1 337.467 3.451 20 10 EGCDMO CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000918697558 1319990019 /nfs/dbraw/zinc/99/00/19/1319990019.db2.gz UNTDDJMNAHMZES-GOSISDBHSA-N 1 1 339.483 3.474 20 10 EGCDMO CCOC(=O)C[N@H+](CCc1ccc(OC)cc1)Cc1ccccc1O ZINC000823581871 1320188206 /nfs/dbraw/zinc/18/82/06/1320188206.db2.gz SDRDFVDLRITWES-UHFFFAOYSA-N 1 1 343.423 3.009 20 10 EGCDMO CCOC(=O)C[N@@H+](CCc1ccc(OC)cc1)Cc1ccccc1O ZINC000823581871 1320188207 /nfs/dbraw/zinc/18/82/07/1320188207.db2.gz SDRDFVDLRITWES-UHFFFAOYSA-N 1 1 343.423 3.009 20 10 EGCDMO Cc1cc(O)c(C[N@H+](C)CC(=O)NCc2ccccc2)cc1Cl ZINC000824850708 1320291840 /nfs/dbraw/zinc/29/18/40/1320291840.db2.gz PAKGMNCRHHJZOC-UHFFFAOYSA-N 1 1 332.831 3.102 20 10 EGCDMO Cc1cc(O)c(C[N@@H+](C)CC(=O)NCc2ccccc2)cc1Cl ZINC000824850708 1320291846 /nfs/dbraw/zinc/29/18/46/1320291846.db2.gz PAKGMNCRHHJZOC-UHFFFAOYSA-N 1 1 332.831 3.102 20 10 EGCDMO CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824926540 1320296633 /nfs/dbraw/zinc/29/66/33/1320296633.db2.gz FUOCDGWJZLVCDB-AWEZNQCLSA-N 1 1 328.250 3.402 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000824988883 1320301546 /nfs/dbraw/zinc/30/15/46/1320301546.db2.gz SYDXGAFCBHALGJ-AGUYFDCRSA-N 1 1 339.277 3.178 20 10 EGCDMO CCc1nc(C[NH2+]Cc2cc(Br)cc(OC)c2O)co1 ZINC000825050723 1320306486 /nfs/dbraw/zinc/30/64/86/1320306486.db2.gz QLOCMTPRZISOSC-UHFFFAOYSA-N 1 1 341.205 3.004 20 10 EGCDMO Oc1cc(Br)ccc1C[NH2+]Cc1nnc(C2CC2)s1 ZINC000826122999 1320384997 /nfs/dbraw/zinc/38/49/97/1320384997.db2.gz BSVFZZSIOYPGNV-UHFFFAOYSA-N 1 1 340.246 3.173 20 10 EGCDMO COCc1cc(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000838941529 1320838234 /nfs/dbraw/zinc/83/82/34/1320838234.db2.gz QBXDALIEVGNMPG-UHFFFAOYSA-N 1 1 329.444 3.347 20 10 EGCDMO CCN(Cc1cc(Br)ccc1O)[C@@H](C)c1n[nH]c(C)n1 ZINC000839497219 1320928849 /nfs/dbraw/zinc/92/88/49/1320928849.db2.gz BAKBWZQXGWMHRT-VIFPVBQESA-N 1 1 339.237 3.164 20 10 EGCDMO Cc1[nH+]ccn1CCCC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918206 1320995930 /nfs/dbraw/zinc/99/59/30/1320995930.db2.gz KXGNAIKKCUZJCH-MRXNPFEDSA-N 1 1 342.487 3.094 20 10 EGCDMO C[C@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccc(N(C)C)cc1 ZINC000840862820 1321164475 /nfs/dbraw/zinc/16/44/75/1321164475.db2.gz FALZFRLNMYZGHA-AWEZNQCLSA-N 1 1 332.469 3.007 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000840918800 1321177116 /nfs/dbraw/zinc/17/71/16/1321177116.db2.gz ZCWRRHSZURZRGD-KRWDZBQOSA-N 1 1 345.531 3.435 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCSC4(CCC4)CC3)cc2)CC1 ZINC000840954581 1321185256 /nfs/dbraw/zinc/18/52/56/1321185256.db2.gz KMWPVTBLSBGWAC-UHFFFAOYSA-N 1 1 345.556 3.300 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCSC4(CCC4)CC3)cc2)CC1 ZINC000840954581 1321185257 /nfs/dbraw/zinc/18/52/57/1321185257.db2.gz KMWPVTBLSBGWAC-UHFFFAOYSA-N 1 1 345.556 3.300 20 10 EGCDMO CN(CCC[N@@H+](C)Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000840972460 1321191611 /nfs/dbraw/zinc/19/16/11/1321191611.db2.gz MLTIKYBGWPMBOE-UHFFFAOYSA-N 1 1 326.412 3.220 20 10 EGCDMO CCOc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1F ZINC000841042762 1321207795 /nfs/dbraw/zinc/20/77/95/1321207795.db2.gz NMHIZWMKFGKSGZ-GOSISDBHSA-N 1 1 331.435 3.080 20 10 EGCDMO CN(C)c1ccc([C@H](N)C[NH2+]Cc2ccccc2OC(F)F)cc1 ZINC000841044120 1321208562 /nfs/dbraw/zinc/20/85/62/1321208562.db2.gz TVFUPMCFYKCFFS-MRXNPFEDSA-N 1 1 335.398 3.144 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCN(CC(F)F)C1)c1cccc(C(F)(F)F)c1O ZINC000841765004 1321309245 /nfs/dbraw/zinc/30/92/45/1321309245.db2.gz MGWXESPROJDJDG-UWVGGRQHSA-N 1 1 338.320 3.401 20 10 EGCDMO C[N@@H+](Cc1c(O)ccc2ccncc21)C[C@@]1(O)CCc2ccccc21 ZINC000842623167 1321407955 /nfs/dbraw/zinc/40/79/55/1321407955.db2.gz KJOZCMSYCQAULB-NRFANRHFSA-N 1 1 334.419 3.206 20 10 EGCDMO CC[C@@H]1COC(C)(C)C[N@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000846028162 1321763195 /nfs/dbraw/zinc/76/31/95/1321763195.db2.gz XTWZKPMPUZVTDW-MRXNPFEDSA-N 1 1 336.451 3.052 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cnn(C(C)(C)C)c2)cc1 ZINC000846051371 1321764352 /nfs/dbraw/zinc/76/43/52/1321764352.db2.gz DAKYEEKHYANVDE-UHFFFAOYSA-N 1 1 330.476 3.215 20 10 EGCDMO C[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000846839916 1321814464 /nfs/dbraw/zinc/81/44/64/1321814464.db2.gz HUJVRCVVPWWSEZ-WMZOPIPTSA-N 1 1 338.451 3.482 20 10 EGCDMO CCc1cccc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c1O ZINC000848881269 1322027501 /nfs/dbraw/zinc/02/75/01/1322027501.db2.gz WUYJNWKDNDAJPY-KRWDZBQOSA-N 1 1 336.439 3.377 20 10 EGCDMO CCc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000848885331 1322029321 /nfs/dbraw/zinc/02/93/21/1322029321.db2.gz TTYLNBMLNSFTQQ-HNNXBMFYSA-N 1 1 332.488 3.329 20 10 EGCDMO CCc1cccc(CNc2ccc(NC(=O)C[NH+](C)C)cc2)c1O ZINC000848891687 1322031206 /nfs/dbraw/zinc/03/12/06/1322031206.db2.gz YADLBOVZVKOCEO-UHFFFAOYSA-N 1 1 327.428 3.067 20 10 EGCDMO CCOc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000849349666 1322115578 /nfs/dbraw/zinc/11/55/78/1322115578.db2.gz HIFUKVBMZRLTIP-RTBURBONSA-N 1 1 344.430 3.165 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000850352980 1322231728 /nfs/dbraw/zinc/23/17/28/1322231728.db2.gz OEDNXMQJUUMRDV-UHFFFAOYSA-N 1 1 335.810 3.470 20 10 EGCDMO C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(F)ccc1[O-] ZINC000850516394 1322259459 /nfs/dbraw/zinc/25/94/59/1322259459.db2.gz FGUAXCXUYSHSSV-HNNXBMFYSA-N 1 1 343.446 3.489 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000850543789 1322262990 /nfs/dbraw/zinc/26/29/90/1322262990.db2.gz PYYBPUMJQQPWFI-PIGZYNQJSA-N 1 1 327.380 3.223 20 10 EGCDMO Cc1nc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000850567007 1322269658 /nfs/dbraw/zinc/26/96/58/1322269658.db2.gz WCKBVZHFZWJYGE-ZDUSSCGKSA-N 1 1 331.485 3.263 20 10 EGCDMO C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000850750368 1322283870 /nfs/dbraw/zinc/28/38/70/1322283870.db2.gz JTLHORYIZKHQKX-IBGZPJMESA-N 1 1 338.455 3.050 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cn(C)cn1 ZINC000924714300 1323129256 /nfs/dbraw/zinc/12/92/56/1323129256.db2.gz JTFBPVLPUNVZLM-ZNMIVQPWSA-N 1 1 346.450 3.024 20 10 EGCDMO CC(C)n1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000924794379 1323165964 /nfs/dbraw/zinc/16/59/64/1323165964.db2.gz FFZVFCVFIRFFCD-JKSUJKDBSA-N 1 1 343.475 3.107 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2[C@H](C)CO)c1O ZINC000852422765 1323188204 /nfs/dbraw/zinc/18/82/04/1323188204.db2.gz JFTVIQVMHBAONV-BDJLRTHQSA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@H](C)CO)c1O ZINC000852422765 1323188209 /nfs/dbraw/zinc/18/82/09/1323188209.db2.gz JFTVIQVMHBAONV-BDJLRTHQSA-N 1 1 325.836 3.231 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000852860818 1323247982 /nfs/dbraw/zinc/24/79/82/1323247982.db2.gz VYZQTBHKGNQDDO-GOSISDBHSA-N 1 1 347.409 3.127 20 10 EGCDMO CCn1nccc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000853239320 1325070477 /nfs/dbraw/zinc/07/04/77/1325070477.db2.gz FEWKJPBBSNNAFW-VIFPVBQESA-N 1 1 342.212 3.361 20 10 EGCDMO CCOc1cncc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000857040813 1325560657 /nfs/dbraw/zinc/56/06/57/1325560657.db2.gz ZQBFXFPZCHJXOK-UHFFFAOYSA-N 1 1 337.217 3.238 20 10 EGCDMO Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862252770 1329471622 /nfs/dbraw/zinc/47/16/22/1329471622.db2.gz XDLVECSMYZVDGJ-QGZVFWFLSA-N 1 1 334.414 3.410 20 10 EGCDMO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1Cc1cc(F)c(N(C)C)cc1F ZINC000862252770 1329471624 /nfs/dbraw/zinc/47/16/24/1329471624.db2.gz XDLVECSMYZVDGJ-QGZVFWFLSA-N 1 1 334.414 3.410 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c(O)c1 ZINC000862483617 1329490247 /nfs/dbraw/zinc/49/02/47/1329490247.db2.gz VORMEQXAPJYGSB-HXUWFJFHSA-N 1 1 327.424 3.275 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@](O)(c3ccccc3)C2)c1O ZINC000862483681 1329490383 /nfs/dbraw/zinc/49/03/83/1329490383.db2.gz WUCPGFCBSXDUDO-HXUWFJFHSA-N 1 1 327.424 3.275 20 10 EGCDMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c1O ZINC000862485130 1329490756 /nfs/dbraw/zinc/49/07/56/1329490756.db2.gz HEKRDECTHVADSX-DZGCQCFKSA-N 1 1 335.444 3.201 20 10 EGCDMO Cc1cc(N(C)C)ccc1CN1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000863646704 1329570298 /nfs/dbraw/zinc/57/02/98/1329570298.db2.gz XTTOPUPYKCCIDA-GOEBONIOSA-N 1 1 329.410 3.020 20 10 EGCDMO Cc1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)c(C)[nH+]1 ZINC000865360577 1329688638 /nfs/dbraw/zinc/68/86/38/1329688638.db2.gz CPRFCJJIYKRMQR-UHFFFAOYSA-N 1 1 326.375 3.324 20 10 EGCDMO CCCC[N@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966034 1348777901 /nfs/dbraw/zinc/77/79/01/1348777901.db2.gz RRGNVMWZXUHGJE-OAHLLOKOSA-N 1 1 345.447 3.233 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@](O)(C(F)(F)F)[C@H](C)C2)cc1Cl ZINC001231867104 1376328212 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/nfs/dbraw/zinc/97/41/24/1302974124.db2.gz MTGNPYLDSNYMAC-UHFFFAOYSA-N 1 1 336.391 3.469 20 10 EGCDMO CC/C=C(\C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768913222 1303011733 /nfs/dbraw/zinc/01/17/33/1303011733.db2.gz WYPGTDQQWKHWKZ-RBBXRFMQSA-N 1 1 336.863 3.483 20 10 EGCDMO NC(=O)[C@H]1c2ccccc2CC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769188008 1303066268 /nfs/dbraw/zinc/06/62/68/1303066268.db2.gz DPRZNJIGGOXPOA-OAQYLSRUSA-N 1 1 349.478 3.262 20 10 EGCDMO NC(=O)[C@H]1c2ccccc2CC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000769188008 1303066275 /nfs/dbraw/zinc/06/62/75/1303066275.db2.gz DPRZNJIGGOXPOA-OAQYLSRUSA-N 1 1 349.478 3.262 20 10 EGCDMO Cc1ccc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nn1 ZINC000769246714 1303080231 /nfs/dbraw/zinc/08/02/31/1303080231.db2.gz JRTRWLYVENLVDY-HNNXBMFYSA-N 1 1 332.835 3.221 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)OCO2 ZINC000769400342 1303107134 /nfs/dbraw/zinc/10/71/34/1303107134.db2.gz RMJDIJFEGVYUPV-UHFFFAOYSA-N 1 1 342.439 3.130 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000769401358 1303107395 /nfs/dbraw/zinc/10/73/95/1303107395.db2.gz JLSNCLNRJGZOTI-CYBMUJFWSA-N 1 1 338.448 3.136 20 10 EGCDMO CCOc1ccc(C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)c(O)c1 ZINC000769499232 1303128110 /nfs/dbraw/zinc/12/81/10/1303128110.db2.gz PEWNWCHNMYMCBO-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1ccc(CN2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC000769499232 1303128118 /nfs/dbraw/zinc/12/81/18/1303128118.db2.gz PEWNWCHNMYMCBO-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCOc1ccc(CN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(O)c1 ZINC000769499232 1303128124 /nfs/dbraw/zinc/12/81/24/1303128124.db2.gz PEWNWCHNMYMCBO-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CN(C)c1ccc(C[NH+]2CCC([C@H](O)C(F)(F)F)CC2)cc1F ZINC000769513713 1303133815 /nfs/dbraw/zinc/13/38/15/1303133815.db2.gz GVLPFCSZVMBPND-HNNXBMFYSA-N 1 1 334.357 3.027 20 10 EGCDMO CCOC[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769533562 1303135947 /nfs/dbraw/zinc/13/59/47/1303135947.db2.gz PQUMCSUWFIYDNL-KRWDZBQOSA-N 1 1 347.459 3.444 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)c(O)c1 ZINC000770380585 1303258564 /nfs/dbraw/zinc/25/85/64/1303258564.db2.gz ORYBHLWTPHBJMD-OAHLLOKOSA-N 1 1 342.443 3.166 20 10 EGCDMO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(O)c1 ZINC000770380585 1303258566 /nfs/dbraw/zinc/25/85/66/1303258566.db2.gz ORYBHLWTPHBJMD-OAHLLOKOSA-N 1 1 342.443 3.166 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)c(O)c1 ZINC000770380585 1303258570 /nfs/dbraw/zinc/25/85/70/1303258570.db2.gz ORYBHLWTPHBJMD-OAHLLOKOSA-N 1 1 342.443 3.166 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1c(O)cccc1F ZINC000886503905 1303479343 /nfs/dbraw/zinc/47/93/43/1303479343.db2.gz JZUXMKINDYCJTP-KBPBESRZSA-N 1 1 345.418 3.002 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1c(O)cccc1F ZINC000886558467 1303501168 /nfs/dbraw/zinc/50/11/68/1303501168.db2.gz LGIGOIAIVDWQRL-RHSMWYFYSA-N 1 1 342.414 3.373 20 10 EGCDMO COC(=O)c1cccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000773731498 1303731227 /nfs/dbraw/zinc/73/12/27/1303731227.db2.gz UQCBKLJCKWHCGJ-UHFFFAOYSA-N 1 1 339.439 3.099 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+](C)CCCNC(=O)OC(C)(C)C)cc1 ZINC000773754892 1303734971 /nfs/dbraw/zinc/73/49/71/1303734971.db2.gz SVGFPYTZWGVFSE-UHFFFAOYSA-N 1 1 335.492 3.489 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000773758556 1303736259 /nfs/dbraw/zinc/73/62/59/1303736259.db2.gz VNKSSTRLOKKQMV-MRXNPFEDSA-N 1 1 333.476 3.242 20 10 EGCDMO CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000774269350 1303792718 /nfs/dbraw/zinc/79/27/18/1303792718.db2.gz YYQPXVQUZQHUCU-JRKPZEMJSA-N 1 1 331.243 3.264 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H](Cc2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000775015757 1303889926 /nfs/dbraw/zinc/88/99/26/1303889926.db2.gz WXIUBSAGUADPQP-MRXNPFEDSA-N 1 1 342.395 3.420 20 10 EGCDMO Oc1ccc(F)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000775146225 1303914944 /nfs/dbraw/zinc/91/49/44/1303914944.db2.gz NPCQUQQAIHYEKR-UHFFFAOYSA-N 1 1 326.165 3.289 20 10 EGCDMO COc1cccc(C[NH2+]Cc2cccc(Br)c2O)c1O ZINC000775146197 1303915814 /nfs/dbraw/zinc/91/58/14/1303915814.db2.gz MNCATDOABJYQTA-UHFFFAOYSA-N 1 1 338.201 3.159 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@@H]1NC(=O)OC(C)(C)C ZINC000775153363 1303916941 /nfs/dbraw/zinc/91/69/41/1303916941.db2.gz IDYLIKWQPRHISS-RISCZKNCSA-N 1 1 340.851 3.391 20 10 EGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000775200358 1303923707 /nfs/dbraw/zinc/92/37/07/1303923707.db2.gz JMULHKOGIAMYJD-LJQANCHMSA-N 1 1 335.444 3.202 20 10 EGCDMO CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775491709 1303972764 /nfs/dbraw/zinc/97/27/64/1303972764.db2.gz HRUGWUNHNVVDKY-QGZVFWFLSA-N 1 1 339.911 3.114 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCCc4ccccc4C3)cc2)CC1 ZINC000775678467 1304012975 /nfs/dbraw/zinc/01/29/75/1304012975.db2.gz ZUJZCQPZJJUVAX-UHFFFAOYSA-N 1 1 335.495 3.387 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCCc4ccccc4C3)cc2)CC1 ZINC000775678467 1304012979 /nfs/dbraw/zinc/01/29/79/1304012979.db2.gz ZUJZCQPZJJUVAX-UHFFFAOYSA-N 1 1 335.495 3.387 20 10 EGCDMO CCCO[C@@H]1CCC[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775687561 1304016086 /nfs/dbraw/zinc/01/60/86/1304016086.db2.gz FHHJDSKWRHCZBO-OAQYLSRUSA-N 1 1 345.531 3.220 20 10 EGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000775687561 1304016092 /nfs/dbraw/zinc/01/60/92/1304016092.db2.gz FHHJDSKWRHCZBO-OAQYLSRUSA-N 1 1 345.531 3.220 20 10 EGCDMO CCSCC[C@@H](C)[N@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775735589 1304023874 /nfs/dbraw/zinc/02/38/74/1304023874.db2.gz SQOKONIAVSFYMX-QGZVFWFLSA-N 1 1 335.561 3.402 20 10 EGCDMO CCSCC[C@@H](C)[N@@H+](C)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775735589 1304023879 /nfs/dbraw/zinc/02/38/79/1304023879.db2.gz SQOKONIAVSFYMX-QGZVFWFLSA-N 1 1 335.561 3.402 20 10 EGCDMO Cc1cccc(C[N@@H+]2C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]2C)c1O ZINC000775740221 1304025618 /nfs/dbraw/zinc/02/56/18/1304025618.db2.gz SWPFMEPDMBUZJP-HUUCEWRRSA-N 1 1 334.460 3.436 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](n3cncn3)C1)oc1ccccc12 ZINC000776778491 1304198613 /nfs/dbraw/zinc/19/86/13/1304198613.db2.gz VGDBRVIQPPCEAY-CQSZACIVSA-N 1 1 334.379 3.330 20 10 EGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc3c(cc1O)CCCC3)C2 ZINC000777555768 1304318379 /nfs/dbraw/zinc/31/83/79/1304318379.db2.gz FZSXORUKQHCDNG-QFIPXVFZSA-N 1 1 348.446 3.367 20 10 EGCDMO CC[C@]1(O)CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000778397356 1304444575 /nfs/dbraw/zinc/44/45/75/1304444575.db2.gz HJXMMGAGAVJPSQ-FQEVSTJZSA-N 1 1 326.440 3.124 20 10 EGCDMO CC[C@]1(O)CC[N@@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000778397356 1304444580 /nfs/dbraw/zinc/44/45/80/1304444580.db2.gz HJXMMGAGAVJPSQ-FQEVSTJZSA-N 1 1 326.440 3.124 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)c1O ZINC000779188154 1304539839 /nfs/dbraw/zinc/53/98/39/1304539839.db2.gz GKXFRPUTEWQTKE-OAHLLOKOSA-N 1 1 325.836 3.445 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000779596506 1304585502 /nfs/dbraw/zinc/58/55/02/1304585502.db2.gz GUVHLEMIHJOTTN-UHFFFAOYSA-N 1 1 338.448 3.090 20 10 EGCDMO Oc1ccc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1F ZINC000891468729 1305058903 /nfs/dbraw/zinc/05/89/03/1305058903.db2.gz WULDZTWTKSSJES-INIZCTEOSA-N 1 1 331.387 3.418 20 10 EGCDMO CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc(OC)c(OC)c1O ZINC000891625554 1305114939 /nfs/dbraw/zinc/11/49/39/1305114939.db2.gz CVSXOOPWDCVFAO-UHFFFAOYSA-N 1 1 331.412 3.440 20 10 EGCDMO CC[C@]1(C)C[N@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000785983700 1305486647 /nfs/dbraw/zinc/48/66/47/1305486647.db2.gz CGGTXVGLMQAFMZ-OAHLLOKOSA-N 1 1 328.250 3.464 20 10 EGCDMO CC[C@]1(C)C[N@@H+](Cc2cc(Br)cc(C)c2O)CCO1 ZINC000785983700 1305486654 /nfs/dbraw/zinc/48/66/54/1305486654.db2.gz CGGTXVGLMQAFMZ-OAHLLOKOSA-N 1 1 328.250 3.464 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c1O ZINC000787292248 1305728469 /nfs/dbraw/zinc/72/84/69/1305728469.db2.gz ZDSBMLBTGMMUIY-OAHLLOKOSA-N 1 1 346.402 3.368 20 10 EGCDMO COc1ccc(C[N@H+]2CC[C@H](COc3ccccc3)C2)c(O)c1OC ZINC000893475898 1305913249 /nfs/dbraw/zinc/91/32/49/1305913249.db2.gz RCTRRWJDWRCFCT-HNNXBMFYSA-N 1 1 343.423 3.310 20 10 EGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2ccc(OC)c(OC)c2O)o1 ZINC000893642931 1306002486 /nfs/dbraw/zinc/00/24/86/1306002486.db2.gz RBBVDUYTAOXKCQ-OAHLLOKOSA-N 1 1 347.411 3.486 20 10 EGCDMO C[C@H]1C[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C(=O)N1c1ccccc1 ZINC000790974858 1308901819 /nfs/dbraw/zinc/90/18/19/1308901819.db2.gz XUPHTDDKVRCRDM-NHYWBVRUSA-N 1 1 348.805 3.468 20 10 EGCDMO C[C@@H]1CN(Cc2cc(Cl)cc(Br)c2[O-])CC[C@@H]1O ZINC000894498288 1308922908 /nfs/dbraw/zinc/92/29/08/1308922908.db2.gz VXUCMIUPKRYBGR-PELKAZGASA-N 1 1 334.641 3.011 20 10 EGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792170713 1309136550 /nfs/dbraw/zinc/13/65/50/1309136550.db2.gz WFRYOGQJXLQGRM-CYBMUJFWSA-N 1 1 344.858 3.117 20 10 EGCDMO Cc1noc([C@H](C)[NH2+]Cc2cc(Br)cc(C)c2O)n1 ZINC000792176616 1309137688 /nfs/dbraw/zinc/13/76/88/1309137688.db2.gz IUGWJJOEWAHYES-QMMMGPOBSA-N 1 1 326.194 3.005 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192040 1309140320 /nfs/dbraw/zinc/14/03/20/1309140320.db2.gz AIBGCDNAMRECHQ-PXNSSMCTSA-N 1 1 332.488 3.160 20 10 EGCDMO COC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830322 1309239684 /nfs/dbraw/zinc/23/96/84/1309239684.db2.gz COTTXRFJLLCCHV-MRXNPFEDSA-N 1 1 344.377 3.156 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214696 1309319247 /nfs/dbraw/zinc/31/92/47/1309319247.db2.gz QCKUTHIQXAVKIB-XHDPSFHLSA-N 1 1 340.261 3.462 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)c1O ZINC000793214696 1309319254 /nfs/dbraw/zinc/31/92/54/1309319254.db2.gz QCKUTHIQXAVKIB-XHDPSFHLSA-N 1 1 340.261 3.462 20 10 EGCDMO Oc1ccc(F)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000793239032 1309327186 /nfs/dbraw/zinc/32/71/86/1309327186.db2.gz BMKVWFVWZPDZSU-HDICACEKSA-N 1 1 326.415 3.095 20 10 EGCDMO CSc1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000794653577 1309564827 /nfs/dbraw/zinc/56/48/27/1309564827.db2.gz BLHXODRWKHKFPZ-MRXNPFEDSA-N 1 1 331.437 3.172 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1ccnc(Cl)c1 ZINC000795594081 1309787375 /nfs/dbraw/zinc/78/73/75/1309787375.db2.gz KPZDEZLDRQNMIT-HNNXBMFYSA-N 1 1 344.890 3.338 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705545 1309813770 /nfs/dbraw/zinc/81/37/70/1309813770.db2.gz YQVYLVZVLJLMIR-FUHWJXTLSA-N 1 1 346.515 3.293 20 10 EGCDMO CC[C@@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(F)cc1O ZINC000796707340 1310068588 /nfs/dbraw/zinc/06/85/88/1310068588.db2.gz MLKZKWJWIWTFDP-RHSMWYFYSA-N 1 1 328.387 3.378 20 10 EGCDMO CC[C@H]([NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000796962370 1310116974 /nfs/dbraw/zinc/11/69/74/1310116974.db2.gz RYTBGLRIKWFSNH-FZMZJTMJSA-N 1 1 326.412 3.485 20 10 EGCDMO CCNC(=O)C(C)(C)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000798182560 1310313693 /nfs/dbraw/zinc/31/36/93/1310313693.db2.gz HFOWEAQWRPREEW-JTQLQIEISA-N 1 1 332.366 3.224 20 10 EGCDMO CC[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817954344 1319475134 /nfs/dbraw/zinc/47/51/34/1319475134.db2.gz BYZUONVVGLEWTM-SMDDNHRTSA-N 1 1 327.266 3.195 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000798938214 1310461428 /nfs/dbraw/zinc/46/14/28/1310461428.db2.gz USKNPGLQZUPLJE-UKRRQHHQSA-N 1 1 335.444 3.018 20 10 EGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)c(C)cc2O)cc1 ZINC000824535282 1320263409 /nfs/dbraw/zinc/26/34/09/1320263409.db2.gz OJYNCDLULQUQFM-UHFFFAOYSA-N 1 1 332.831 3.346 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133241 1320313542 /nfs/dbraw/zinc/31/35/42/1320313542.db2.gz AIIRDAFSAMPIML-MRXNPFEDSA-N 1 1 340.261 3.466 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1 ZINC000825133241 1320313547 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1320814853 /nfs/dbraw/zinc/81/48/53/1320814853.db2.gz JLSXALQJNJWBEO-QGZVFWFLSA-N 1 1 347.503 3.436 20 10 EGCDMO COc1cc(C[N@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)c(O)cc1C ZINC000840131091 1321035743 /nfs/dbraw/zinc/03/57/43/1321035743.db2.gz ZQPBSHWCXTXNHD-SJORKVTESA-N 1 1 331.456 3.490 20 10 EGCDMO COc1cc(C[N@H+]2CCCc3c(cnn3C)C2)c(O)c(C(C)(C)C)c1 ZINC000840172649 1321043101 /nfs/dbraw/zinc/04/31/01/1321043101.db2.gz CYBZEGCMXWNLOK-UHFFFAOYSA-N 1 1 343.471 3.380 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]C1CCN(CC2CC2)CC1 ZINC000840892986 1321172093 /nfs/dbraw/zinc/17/20/93/1321172093.db2.gz FTJRLCNDPXNJTM-KRWDZBQOSA-N 1 1 329.532 3.456 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000840941614 1321183064 /nfs/dbraw/zinc/18/30/64/1321183064.db2.gz DKJMZRLEXJNZAF-GOSISDBHSA-N 1 1 330.501 3.085 20 10 EGCDMO COc1ccc(O)c(C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000840972063 1321191099 /nfs/dbraw/zinc/19/10/99/1321191099.db2.gz GQSZNYBGNBRADN-UHFFFAOYSA-N 1 1 338.448 3.090 20 10 EGCDMO CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841009373 1321199465 /nfs/dbraw/zinc/19/94/65/1321199465.db2.gz NVBIQDUEPFKUJG-OLZOCXBDSA-N 1 1 341.293 3.365 20 10 EGCDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CC[NH2+][C@H](C)C1 ZINC000841009373 1321199470 /nfs/dbraw/zinc/19/94/70/1321199470.db2.gz NVBIQDUEPFKUJG-OLZOCXBDSA-N 1 1 341.293 3.365 20 10 EGCDMO COc1ccc(Cl)cc1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041529 1321207551 /nfs/dbraw/zinc/20/75/51/1321207551.db2.gz CWOJFVKMILVOIA-QGZVFWFLSA-N 1 1 333.863 3.204 20 10 EGCDMO C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841299955 1321249213 /nfs/dbraw/zinc/24/92/13/1321249213.db2.gz KUASIKKOJNCEPE-HZPDHXFCSA-N 1 1 330.476 3.387 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)cc1C ZINC000842635333 1321410207 /nfs/dbraw/zinc/41/02/07/1321410207.db2.gz MDQMCQPJBUYKEA-SFHVURJKSA-N 1 1 338.451 3.147 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)c1cccc(C(F)(F)F)c1O ZINC000842883556 1321444142 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IVVLUFVHDGGSBH-UHFFFAOYSA-N 1 1 346.471 3.015 20 10 EGCDMO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000132824901 454368288 /nfs/dbraw/zinc/36/82/88/454368288.db2.gz DIVOBOGTHULUJX-MSOLQXFVSA-N 1 1 345.531 3.294 20 10 EGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)cc1 ZINC000132824901 454368296 /nfs/dbraw/zinc/36/82/96/454368296.db2.gz DIVOBOGTHULUJX-MSOLQXFVSA-N 1 1 345.531 3.294 20 10 EGCDMO C[N@@H+](Cc1cnn(C(C)(C)C)c1)Cc1ccc(N2CCOCC2)cc1 ZINC000121327225 454420931 /nfs/dbraw/zinc/42/09/31/454420931.db2.gz OJXXAQQOVWJDKK-UHFFFAOYSA-N 1 1 342.487 3.107 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)Cc2ccc(C(=O)OC)cc2)c1O ZINC000091829570 454477809 /nfs/dbraw/zinc/47/78/09/454477809.db2.gz XTJJMMJTOLSLCZ-UHFFFAOYSA-N 1 1 329.396 3.210 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@@H](C)c3cccnc3)cc2F)CC1 ZINC000092747356 454625430 /nfs/dbraw/zinc/62/54/30/454625430.db2.gz SWZCZNXJYRSSNK-INIZCTEOSA-N 1 1 342.462 3.213 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 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CC[N@H+](CCCO)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000754664290 1300185287 /nfs/dbraw/zinc/18/52/87/1300185287.db2.gz GZWMNNAUMFBNDO-UHFFFAOYSA-N 1 1 332.419 3.120 20 10 EGCDMO CC[N@@H+](CCCO)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000754664290 1300185292 /nfs/dbraw/zinc/18/52/92/1300185292.db2.gz GZWMNNAUMFBNDO-UHFFFAOYSA-N 1 1 332.419 3.120 20 10 EGCDMO C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358607 1300475668 /nfs/dbraw/zinc/47/56/68/1300475668.db2.gz KSNUGHYWJPQJNL-OAHLLOKOSA-N 1 1 343.427 3.473 20 10 EGCDMO C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756358607 1300475672 /nfs/dbraw/zinc/47/56/72/1300475672.db2.gz KSNUGHYWJPQJNL-OAHLLOKOSA-N 1 1 343.427 3.473 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(F)cc1O ZINC000756394700 1300483024 /nfs/dbraw/zinc/48/30/24/1300483024.db2.gz VWKPSSJVVSCOBV-CYBMUJFWSA-N 1 1 326.375 3.022 20 10 EGCDMO C[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1ccccc1 ZINC000756482727 1300503636 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EGCDMO COc1coc(C[N@@H+](Cc2ccccc2O)C2CCCC2)cc1=O ZINC000760844160 1301350717 /nfs/dbraw/zinc/35/07/17/1301350717.db2.gz JOCVVGGQSRVAAW-UHFFFAOYSA-N 1 1 329.396 3.299 20 10 EGCDMO CC[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000762648980 1301721938 /nfs/dbraw/zinc/72/19/38/1301721938.db2.gz KLNCKPAZKOANPK-FXAWDEMLSA-N 1 1 333.520 3.294 20 10 EGCDMO Cc1noc(CCC[N@@H+](Cc2ccco2)Cc2ccccc2O)n1 ZINC000763544709 1301922213 /nfs/dbraw/zinc/92/22/13/1301922213.db2.gz SKPGFIXKKRHUAI-UHFFFAOYSA-N 1 1 327.384 3.312 20 10 EGCDMO COc1ccc(COCCC[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882966920 1302186820 /nfs/dbraw/zinc/18/68/20/1302186820.db2.gz RMJHAXIQCUVYNV-UHFFFAOYSA-N 1 1 337.366 3.376 20 10 EGCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)[NH+]1CCCCC1 ZINC000765247719 1302226641 /nfs/dbraw/zinc/22/66/41/1302226641.db2.gz CGHIPRQUANKYOY-IAGOWNOFSA-N 1 1 349.494 3.187 20 10 EGCDMO OC[C@@]1(C[NH2+]Cc2cc(F)cc(F)c2O)C[C@H]1c1ccc(F)cc1 ZINC000883102776 1302248861 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CCOc1cccc(CN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1O ZINC000769499135 1303128409 /nfs/dbraw/zinc/12/84/09/1303128409.db2.gz MRLVHNMPDGOAEN-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO Fc1cc(C[N@H+]2CC[C@H]2Cc2ccccc2)ccc1N1CCOCC1 ZINC000769506240 1303130123 /nfs/dbraw/zinc/13/01/23/1303130123.db2.gz PIOWRHAQEYLWSJ-IBGZPJMESA-N 1 1 340.442 3.479 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)Cc2ccc([S@](C)=O)cc2)c(O)c1 ZINC000769505374 1303130519 /nfs/dbraw/zinc/13/05/19/1303130519.db2.gz JUXZDVPDTBRMLP-QHCPKHFHSA-N 1 1 333.453 3.160 20 10 EGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@]3(CCOC3)C2)ccc1N1CCCCC1 ZINC000769531467 1303136522 /nfs/dbraw/zinc/13/65/22/1303136522.db2.gz GCLUQMCAAHLVDS-LJQANCHMSA-N 1 1 345.443 3.198 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCC[C@@H]1O ZINC000770294450 1303246025 /nfs/dbraw/zinc/24/60/25/1303246025.db2.gz ZGQBWUACSGAKOC-APWZRJJASA-N 1 1 347.459 3.178 20 10 EGCDMO C/C(=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C1CC1 ZINC000771062573 1303354581 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ZINC000774886130 1303873079 /nfs/dbraw/zinc/87/30/79/1303873079.db2.gz LSZRJIKCCQNZNR-ZDUSSCGKSA-N 1 1 346.358 3.438 20 10 EGCDMO COc1c(O)c(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000774886130 1303873084 /nfs/dbraw/zinc/87/30/84/1303873084.db2.gz LSZRJIKCCQNZNR-ZDUSSCGKSA-N 1 1 346.358 3.438 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1NC(=O)OC(C)(C)C ZINC000775161812 1303917924 /nfs/dbraw/zinc/91/79/24/1303917924.db2.gz ZOLMSGXXHKQPSM-PBHICJAKSA-N 1 1 333.476 3.098 20 10 EGCDMO CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](CC)c1cc(Cl)ccc1[O-] ZINC000775513066 1303977238 /nfs/dbraw/zinc/97/72/38/1303977238.db2.gz NLBJPAQZCKPQQN-GOEBONIOSA-N 1 1 328.884 3.443 20 10 EGCDMO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644139 1304001984 /nfs/dbraw/zinc/00/19/84/1304001984.db2.gz CPMNFIDVZRYBMK-NRFANRHFSA-N 1 1 338.499 3.114 20 10 EGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775644139 1304001988 /nfs/dbraw/zinc/00/19/88/1304001988.db2.gz CPMNFIDVZRYBMK-NRFANRHFSA-N 1 1 338.499 3.114 20 10 EGCDMO CCCCC[N@@H+](CCO)Cc1cc(Br)cc(C)c1O ZINC000775648005 1304003545 /nfs/dbraw/zinc/00/35/45/1304003545.db2.gz LYGWNSJMBLKLBZ-UHFFFAOYSA-N 1 1 330.266 3.448 20 10 EGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)c1O ZINC000775700198 1304018558 /nfs/dbraw/zinc/01/85/58/1304018558.db2.gz DJMLGRHKCRQPCR-CQSZACIVSA-N 1 1 336.863 3.188 20 10 EGCDMO Cc1cccc(CNc2cc(C[NH+]3CCOCC3)ccc2C)c1O ZINC000775757519 1304031037 /nfs/dbraw/zinc/03/10/37/1304031037.db2.gz HEUGAXVUTFFTEH-UHFFFAOYSA-N 1 1 326.440 3.453 20 10 EGCDMO C[C@@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(N(C)C)cc1 ZINC000776248962 1304121397 /nfs/dbraw/zinc/12/13/97/1304121397.db2.gz LYAHDBWMWKWKDW-VQIMIIECSA-N 1 1 346.519 3.329 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(N(C)C)c(F)c1)CC2 ZINC000779598630 1304585229 /nfs/dbraw/zinc/58/52/29/1304585229.db2.gz KGMDYKYSYVXLGB-UHFFFAOYSA-N 1 1 342.414 3.237 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(N(C)C)c(F)c1)CC2 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1 339.277 3.215 20 10 EGCDMO C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788614047 1305982131 /nfs/dbraw/zinc/98/21/31/1305982131.db2.gz ZGMFRTWKZHDSER-SNVBAGLBSA-N 1 1 330.350 3.107 20 10 EGCDMO CCNC(=O)C1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCC1 ZINC000788780155 1306014942 /nfs/dbraw/zinc/01/49/42/1306014942.db2.gz BHKCBRQRVZZLNB-NSHDSACASA-N 1 1 344.377 3.368 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc3c(cc1O)CCCC3)C[C@@H](C)O2 ZINC000790401175 1306316789 /nfs/dbraw/zinc/31/67/89/1306316789.db2.gz KDTVEOHZTCYEOR-QEEYODRMSA-N 1 1 331.456 3.039 20 10 EGCDMO CCc1cc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)c(O)c(C(C)(C)C)c1 ZINC000790457349 1306330020 /nfs/dbraw/zinc/33/00/20/1306330020.db2.gz DYYBFECJQLOEKK-QGZVFWFLSA-N 1 1 344.499 3.449 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000790992330 1308905345 /nfs/dbraw/zinc/90/53/45/1308905345.db2.gz XPQNSHYQRMAGOJ-SECBINFHSA-N 1 1 332.803 3.188 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]CCO[C@@H]2CCCCO2)c1 ZINC000894797890 1309077001 /nfs/dbraw/zinc/07/70/01/1309077001.db2.gz ASSVVHCYAKALRN-CQSZACIVSA-N 1 1 344.249 3.096 20 10 EGCDMO COC1(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000792157322 1309131352 /nfs/dbraw/zinc/13/13/52/1309131352.db2.gz UHYKOOWWKCFQQC-UHFFFAOYSA-N 1 1 332.488 3.304 20 10 EGCDMO CC(C)N(C)C(=O)C1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792166598 1309134384 /nfs/dbraw/zinc/13/43/84/1309134384.db2.gz CMYUPENUEISKCK-UHFFFAOYSA-N 1 1 342.842 3.264 20 10 EGCDMO Cc1nnc([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)[nH]1 ZINC000895007650 1309155602 /nfs/dbraw/zinc/15/56/02/1309155602.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 1 334.423 3.475 20 10 EGCDMO Cc1n[nH]c([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000895007650 1309155607 /nfs/dbraw/zinc/15/56/07/1309155607.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 1 334.423 3.475 20 10 EGCDMO Cc1n[nH]c([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n1 ZINC000895007650 1309155612 /nfs/dbraw/zinc/15/56/12/1309155612.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 1 334.423 3.475 20 10 EGCDMO Cc1nc([C@H]2CC[N@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n[nH]1 ZINC000895007650 1309155616 /nfs/dbraw/zinc/15/56/16/1309155616.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 1 334.423 3.475 20 10 EGCDMO Cc1nc([C@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)n[nH]1 ZINC000895007650 1309155622 /nfs/dbraw/zinc/15/56/22/1309155622.db2.gz LHGZOTOORIDFNM-KRWDZBQOSA-N 1 1 334.423 3.475 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c(C(F)(F)F)c1 ZINC000792842022 1309243710 /nfs/dbraw/zinc/24/37/10/1309243710.db2.gz DCIFDPDEPADQPK-CZUORRHYSA-N 1 1 330.394 3.364 20 10 EGCDMO [O-]c1c(F)cccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330827 /nfs/dbraw/zinc/33/08/27/1309330827.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 1 1 326.415 3.095 20 10 EGCDMO [O-]c1c(F)cccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330836 /nfs/dbraw/zinc/33/08/36/1309330836.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 1 1 326.415 3.095 20 10 EGCDMO [O-]c1c(F)cccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000793247547 1309330845 /nfs/dbraw/zinc/33/08/45/1309330845.db2.gz QPETWVGGRPDCDQ-HDICACEKSA-N 1 1 326.415 3.095 20 10 EGCDMO COc1cc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437032 /nfs/dbraw/zinc/43/70/32/1309437032.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 1 1 332.488 3.226 20 10 EGCDMO COc1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437037 /nfs/dbraw/zinc/43/70/37/1309437037.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 1 1 332.488 3.226 20 10 EGCDMO COc1cc(C[N@@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437045 /nfs/dbraw/zinc/43/70/45/1309437045.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 1 1 332.488 3.226 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@@]3(CCN(C)C3)C2)c(O)c(C(C)(C)C)c1 ZINC000793764220 1309437050 /nfs/dbraw/zinc/43/70/50/1309437050.db2.gz FVFTYGZVORTXGP-HXUWFJFHSA-N 1 1 332.488 3.226 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665941 1309566577 /nfs/dbraw/zinc/56/65/77/1309566577.db2.gz WSNUQNLKMDAWFB-JLTOFOAXSA-N 1 1 349.471 3.078 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794702283 1309578572 /nfs/dbraw/zinc/57/85/72/1309578572.db2.gz JQMRPXOGLAMXQO-YWZLYKJASA-N 1 1 333.472 3.378 20 10 EGCDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000795142242 1309680337 /nfs/dbraw/zinc/68/03/37/1309680337.db2.gz KIDDMQAPSRBZRD-IYBDPMFKSA-N 1 1 331.504 3.220 20 10 EGCDMO C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000795142242 1309680340 /nfs/dbraw/zinc/68/03/40/1309680340.db2.gz KIDDMQAPSRBZRD-IYBDPMFKSA-N 1 1 331.504 3.220 20 10 EGCDMO Oc1ccc2ccncc2c1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000795714763 1309817105 /nfs/dbraw/zinc/81/71/05/1309817105.db2.gz DXDYOADXPNVQCR-INIZCTEOSA-N 1 1 340.345 3.220 20 10 EGCDMO COc1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)c(O)cc1C ZINC000795750098 1309828175 /nfs/dbraw/zinc/82/81/75/1309828175.db2.gz AUKKHWVWTJSJOP-UHFFFAOYSA-N 1 1 332.444 3.256 20 10 EGCDMO C[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1ccccc1O ZINC000795955728 1309870578 /nfs/dbraw/zinc/87/05/78/1309870578.db2.gz JUPDIIUYHGAVKN-UHFFFAOYSA-N 1 1 339.483 3.036 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000796549296 1310029065 /nfs/dbraw/zinc/02/90/65/1310029065.db2.gz WDYZNBNAHONPFV-LLVKDONJSA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000796549296 1310029070 /nfs/dbraw/zinc/02/90/70/1310029070.db2.gz WDYZNBNAHONPFV-LLVKDONJSA-N 1 1 325.836 3.231 20 10 EGCDMO CC[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(F)cc1O ZINC000796959926 1310117266 /nfs/dbraw/zinc/11/72/66/1310117266.db2.gz CINTWTHBURRPAJ-CYBMUJFWSA-N 1 1 343.445 3.237 20 10 EGCDMO C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000798180526 1310311057 /nfs/dbraw/zinc/31/10/57/1310311057.db2.gz HRTHLNJWJBZJLY-LLVKDONJSA-N 1 1 327.350 3.428 20 10 EGCDMO COC1(C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CCOCC1 ZINC000798182086 1310311852 /nfs/dbraw/zinc/31/18/52/1310311852.db2.gz QBQMMOFJSRUFLJ-NSHDSACASA-N 1 1 333.350 3.257 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Cl)c(Cl)cc1O ZINC000798936990 1310459904 /nfs/dbraw/zinc/45/99/04/1310459904.db2.gz NDXCVJTUEOIWTD-ZJUUUORDSA-N 1 1 331.243 3.361 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@](C)(O)C(F)(F)F ZINC000799106329 1310486731 /nfs/dbraw/zinc/48/67/31/1310486731.db2.gz COTHJZQBEZCCTB-INIZCTEOSA-N 1 1 330.394 3.422 20 10 EGCDMO Cc1cc(Cl)nc(CNCc2ccc(N3CC[NH+](C)CC3)cc2)c1 ZINC000800283926 1310720436 /nfs/dbraw/zinc/72/04/36/1310720436.db2.gz WJNLITXOMYCFQC-UHFFFAOYSA-N 1 1 344.890 3.085 20 10 EGCDMO CN(C)c1ccc([C@@H](CNCc2nc3c(s2)CCC3)[NH+](C)C)cc1 ZINC000898449344 1310740278 /nfs/dbraw/zinc/74/02/78/1310740278.db2.gz BZNAZSWQUPPAHY-QGZVFWFLSA-N 1 1 344.528 3.090 20 10 EGCDMO Cc1cc(Br)cc(C[NH2+]Cc2nn(C)cc2Cl)c1O ZINC000824758432 1320283460 /nfs/dbraw/zinc/28/34/60/1320283460.db2.gz WBVISVCSZHTFCR-UHFFFAOYSA-N 1 1 344.640 3.140 20 10 EGCDMO COc1cc(C[N@@H+]2CCC[C@H]2c2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000824894140 1320294333 /nfs/dbraw/zinc/29/43/33/1320294333.db2.gz BDWZFSJWZNNYEN-INIZCTEOSA-N 1 1 344.459 3.164 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@H]2c2nncn2C)c(O)c(C(C)(C)C)c1 ZINC000824894140 1320294337 /nfs/dbraw/zinc/29/43/37/1320294337.db2.gz BDWZFSJWZNNYEN-INIZCTEOSA-N 1 1 344.459 3.164 20 10 EGCDMO COc1cccc(O)c1CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000827179043 1320431860 /nfs/dbraw/zinc/43/18/60/1320431860.db2.gz OZLFTOVMOCCYKA-SFHVURJKSA-N 1 1 340.467 3.150 20 10 EGCDMO COc1cccc(O)c1C[N@@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000827179043 1320431863 /nfs/dbraw/zinc/43/18/63/1320431863.db2.gz OZLFTOVMOCCYKA-SFHVURJKSA-N 1 1 340.467 3.150 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1CC[C@H](N(C)CCc2ccccc2)C1 ZINC000827179043 1320431866 /nfs/dbraw/zinc/43/18/66/1320431866.db2.gz OZLFTOVMOCCYKA-SFHVURJKSA-N 1 1 340.467 3.150 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H](C)CCCc2cccnc2)ccc1[N+](=O)[O-] ZINC000839151604 1320881701 /nfs/dbraw/zinc/88/17/01/1320881701.db2.gz ZKYHELQHTFBIED-CYBMUJFWSA-N 1 1 345.399 3.205 20 10 EGCDMO C[C@H]1CC(CC[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C[C@H](C)O1 ZINC000801732803 1316943404 /nfs/dbraw/zinc/94/34/04/1316943404.db2.gz XKIYFVHZZJIHGE-ROUUACIJSA-N 1 1 345.531 3.122 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cn(C)nn1 ZINC000902780588 1317615484 /nfs/dbraw/zinc/61/54/84/1317615484.db2.gz KVGCEQMQEDHLTO-HNNXBMFYSA-N 1 1 327.476 3.435 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1cccs1 ZINC000808221646 1317646130 /nfs/dbraw/zinc/64/61/30/1317646130.db2.gz BQHOPKRCVVFZPO-RHSMWYFYSA-N 1 1 331.437 3.463 20 10 EGCDMO CCN(CC)c1ccc(CNc2c[nH+]ccc2-n2ccnn2)cc1F ZINC000808425469 1317675568 /nfs/dbraw/zinc/67/55/68/1317675568.db2.gz WNKWQUVOWLPWGN-UHFFFAOYSA-N 1 1 340.406 3.260 20 10 EGCDMO CC[N@H+]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000809698258 1317867902 /nfs/dbraw/zinc/86/79/02/1317867902.db2.gz WVLCKNJJJZMTPH-MRXNPFEDSA-N 1 1 346.475 3.111 20 10 EGCDMO CCN(CCC[NH+](CC)CC)Cc1ccc(N2CCOCC2)cc1 ZINC000809749152 1317889712 /nfs/dbraw/zinc/88/97/12/1317889712.db2.gz KSFOSLBFGUNXLQ-UHFFFAOYSA-N 1 1 333.520 3.077 20 10 EGCDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000858353078 1328743242 /nfs/dbraw/zinc/74/32/42/1328743242.db2.gz IUOGARCCWDYJDR-CYBMUJFWSA-N 1 1 349.475 3.403 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000858349193 1328742572 /nfs/dbraw/zinc/74/25/72/1328742572.db2.gz VYIVGFNWCWTMDI-MRXNPFEDSA-N 1 1 341.455 3.020 20 10 EGCDMO CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000811864040 1318281496 /nfs/dbraw/zinc/28/14/96/1318281496.db2.gz KWWATKHVNQJQEU-KRWDZBQOSA-N 1 1 346.519 3.206 20 10 EGCDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000814170893 1318686978 /nfs/dbraw/zinc/68/69/78/1318686978.db2.gz DFJSNHITWYMIIJ-HXUWFJFHSA-N 1 1 325.408 3.017 20 10 EGCDMO Cc1cc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)ccc1N(C)C ZINC000815025702 1318870647 /nfs/dbraw/zinc/87/06/47/1318870647.db2.gz JHIBYXBQTILQSQ-WSTZPKSXSA-N 1 1 345.531 3.135 20 10 EGCDMO Cc1cc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1N(C)C ZINC000815077706 1318885018 /nfs/dbraw/zinc/88/50/18/1318885018.db2.gz ACQJKHOPHKJFQA-CQSZACIVSA-N 1 1 329.410 3.129 20 10 EGCDMO Cc1cc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)ccc1N(C)C ZINC000815077706 1318885027 /nfs/dbraw/zinc/88/50/27/1318885027.db2.gz ACQJKHOPHKJFQA-CQSZACIVSA-N 1 1 329.410 3.129 20 10 EGCDMO CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499458 1319167391 /nfs/dbraw/zinc/16/73/91/1319167391.db2.gz QQVKLUXYANUBPZ-GFCCVEGCSA-N 1 1 342.842 3.313 20 10 EGCDMO CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499458 1319167396 /nfs/dbraw/zinc/16/73/96/1319167396.db2.gz QQVKLUXYANUBPZ-GFCCVEGCSA-N 1 1 342.842 3.313 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000816498705 1319167788 /nfs/dbraw/zinc/16/77/88/1319167788.db2.gz HTQCQKBZSAMGDX-AWEZNQCLSA-N 1 1 343.826 3.345 20 10 EGCDMO Oc1c(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)ccc2ccccc21 ZINC000816505398 1319169293 /nfs/dbraw/zinc/16/92/93/1319169293.db2.gz VEXXYPDTYUZODN-QGZVFWFLSA-N 1 1 348.450 3.463 20 10 EGCDMO O=C([C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1)N1CCCC1 ZINC000816510128 1319169311 /nfs/dbraw/zinc/16/93/11/1319169311.db2.gz NNCWAIVIXLWOSX-SFHVURJKSA-N 1 1 338.451 3.380 20 10 EGCDMO COc1cccc2c1OC[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C2 ZINC000816546217 1319180185 /nfs/dbraw/zinc/18/01/85/1319180185.db2.gz BQDCUVMLJZFVGT-LBPRGKRZSA-N 1 1 337.778 3.287 20 10 EGCDMO O=C1C[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CN1C1CCCCC1 ZINC000816569019 1319185501 /nfs/dbraw/zinc/18/55/01/1319185501.db2.gz WNSMZAMZAUBMGX-LBPRGKRZSA-N 1 1 340.826 3.208 20 10 EGCDMO C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc2ccccc2c1O ZINC000816592566 1319190545 /nfs/dbraw/zinc/19/05/45/1319190545.db2.gz NKXVBORMETVXPX-UHFFFAOYSA-N 1 1 326.440 3.284 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000816889051 1319239407 /nfs/dbraw/zinc/23/94/07/1319239407.db2.gz KXMBGQGMLYDKLW-UHFFFAOYSA-N 1 1 349.434 3.134 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000816889051 1319239417 /nfs/dbraw/zinc/23/94/17/1319239417.db2.gz KXMBGQGMLYDKLW-UHFFFAOYSA-N 1 1 349.434 3.134 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414861 1319352643 /nfs/dbraw/zinc/35/26/43/1319352643.db2.gz POCXMCRVXKAFCQ-KGLIPLIRSA-N 1 1 335.444 3.201 20 10 EGCDMO CCCN1C[C@H](C[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1=O ZINC000817588807 1319408616 /nfs/dbraw/zinc/40/86/16/1319408616.db2.gz KIMXYAUNFRGHPH-RYUDHWBXSA-N 1 1 344.377 3.320 20 10 EGCDMO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938584 1319466911 /nfs/dbraw/zinc/46/69/11/1319466911.db2.gz NPQRMZISORFZEM-PMACEKPBSA-N 1 1 339.483 3.428 20 10 EGCDMO CC[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938549 1319467421 /nfs/dbraw/zinc/46/74/21/1319467421.db2.gz MWBGAUBSOXRBGT-OALUTQOASA-N 1 1 342.443 3.402 20 10 EGCDMO COc1ncc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1Cl ZINC000817944082 1319471369 /nfs/dbraw/zinc/47/13/69/1319471369.db2.gz XGDDANOYEQRGQG-SJKOYZFVSA-N 1 1 348.878 3.160 20 10 EGCDMO CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817960411 1319478059 /nfs/dbraw/zinc/47/80/59/1319478059.db2.gz YRQCNIBIYZCKNY-NXEZZACHSA-N 1 1 333.245 3.318 20 10 EGCDMO CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817960413 1319478527 /nfs/dbraw/zinc/47/85/27/1319478527.db2.gz YRQCNIBIYZCKNY-UWVGGRQHSA-N 1 1 333.245 3.318 20 10 EGCDMO C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000817970038 1319481085 /nfs/dbraw/zinc/48/10/85/1319481085.db2.gz KASSUUBMGAPHIU-ZNMIVQPWSA-N 1 1 337.895 3.097 20 10 EGCDMO Cc1cc(C[NH+]2CCN(C(=O)C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000915837879 1319546183 /nfs/dbraw/zinc/54/61/83/1319546183.db2.gz NLTFEHRKTLUIFF-UHFFFAOYSA-N 1 1 330.472 3.052 20 10 EGCDMO COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000818616446 1319571021 /nfs/dbraw/zinc/57/10/21/1319571021.db2.gz XNTYCXDCHSMKHJ-NQERJWCQSA-N 1 1 337.467 3.256 20 10 EGCDMO COc1ccc(N2CC[C@H](CN[C@H]3C[C@H]([NH3+])c4ccccc43)C2)cc1 ZINC000818616446 1319571031 /nfs/dbraw/zinc/57/10/31/1319571031.db2.gz XNTYCXDCHSMKHJ-NQERJWCQSA-N 1 1 337.467 3.256 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000917291988 1319781900 /nfs/dbraw/zinc/78/19/00/1319781900.db2.gz FSPYJLSDRMYTMO-AZUAARDMSA-N 1 1 337.467 3.451 20 10 EGCDMO CC(C)n1cncc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000822438002 1320081590 /nfs/dbraw/zinc/08/15/90/1320081590.db2.gz AKBFDIITTBHKKB-SFHVURJKSA-N 1 1 329.444 3.351 20 10 EGCDMO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(CC)CC3)c(F)c2)CCO1 ZINC000823801554 1320208599 /nfs/dbraw/zinc/20/85/99/1320208599.db2.gz JANNZJRAFQRLQV-ROUUACIJSA-N 1 1 349.494 3.015 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)cc1 ZINC000824403631 1320255198 /nfs/dbraw/zinc/25/51/98/1320255198.db2.gz XMOJJBIZMZKTNP-INIZCTEOSA-N 1 1 343.496 3.082 20 10 EGCDMO Oc1cc(Br)ccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000824556078 1320264796 /nfs/dbraw/zinc/26/47/96/1320264796.db2.gz LWXMMACLZDROOC-NSHDSACASA-N 1 1 326.234 3.156 20 10 EGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825641522 1320352233 /nfs/dbraw/zinc/35/22/33/1320352233.db2.gz SRCYPRBHUIBGKC-GYSYKLTISA-N 1 1 328.250 3.136 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1Cl ZINC000825732815 1320358612 /nfs/dbraw/zinc/35/86/12/1320358612.db2.gz YMYOLRRODAMBNN-DCGLDWPTSA-N 1 1 325.836 3.122 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000838773085 1320814680 /nfs/dbraw/zinc/81/46/80/1320814680.db2.gz VIABEKFUHYPOSB-MRXNPFEDSA-N 1 1 333.476 3.046 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cnc(C2CC2)nc1)C[C@H]1CCCO1 ZINC000838783980 1320815702 /nfs/dbraw/zinc/81/57/02/1320815702.db2.gz OZJPWGUXMMNHLA-GOSISDBHSA-N 1 1 339.439 3.241 20 10 EGCDMO CCn1ncc(C[NH2+]Cc2ccc(N(C)C3CCCCC3)cc2)n1 ZINC000838918165 1320835217 /nfs/dbraw/zinc/83/52/17/1320835217.db2.gz BJZQMKGYPMGODR-UHFFFAOYSA-N 1 1 327.476 3.357 20 10 EGCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(N)=O ZINC000840111180 1321031175 /nfs/dbraw/zinc/03/11/75/1321031175.db2.gz WVMMZHKTKMXLCP-CQSZACIVSA-N 1 1 341.455 3.054 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(OCC3CC3)cc2)cc1 ZINC000841042779 1321207747 /nfs/dbraw/zinc/20/77/47/1321207747.db2.gz OCXPPYPQWGLCER-OAQYLSRUSA-N 1 1 339.483 3.331 20 10 EGCDMO CN(C)c1ccc(CNC[C@]2(C)CCC[NH2+]C2)c(C(F)(F)F)c1 ZINC000841057830 1321211173 /nfs/dbraw/zinc/21/11/73/1321211173.db2.gz RFYWDEIALSSLAR-MRXNPFEDSA-N 1 1 329.410 3.251 20 10 EGCDMO CCOC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743748 1321305322 /nfs/dbraw/zinc/30/53/22/1321305322.db2.gz JZGYLDVLCIKTNS-LLVKDONJSA-N 1 1 326.824 3.317 20 10 EGCDMO CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)cc1O)N1CCOCC1 ZINC000841743458 1321305593 /nfs/dbraw/zinc/30/55/93/1321305593.db2.gz GXLMHDGGZANYNC-CJNGLKHVSA-N 1 1 326.868 3.053 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2nccn2C)C1)c1ccc(Cl)cc1O ZINC000841757688 1321307137 /nfs/dbraw/zinc/30/71/37/1321307137.db2.gz PCUOBDORRROEFS-RBOXIYTFSA-N 1 1 335.835 3.350 20 10 EGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)C[NH3+] ZINC000843055965 1321462853 /nfs/dbraw/zinc/46/28/53/1321462853.db2.gz BABRLXXIWKGPRM-UHFFFAOYSA-N 1 1 328.456 3.388 20 10 EGCDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1[O-])CC(C)(C)C[NH3+] ZINC000843055965 1321462855 /nfs/dbraw/zinc/46/28/55/1321462855.db2.gz BABRLXXIWKGPRM-UHFFFAOYSA-N 1 1 328.456 3.388 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)CC2(CCCC2)O1 ZINC000843433646 1321518286 /nfs/dbraw/zinc/51/82/86/1321518286.db2.gz BVUDNYJEAFTJER-MRXNPFEDSA-N 1 1 348.462 3.196 20 10 EGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)CN1C(=O)CC12CCCC2 ZINC000844688188 1321635961 /nfs/dbraw/zinc/63/59/61/1321635961.db2.gz GFQLNNJBVDXUMF-UHFFFAOYSA-N 1 1 329.488 3.466 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnn2CC(C)C)cc1 ZINC000846051876 1321764395 /nfs/dbraw/zinc/76/43/95/1321764395.db2.gz LWMUQXSJTKZHJE-UHFFFAOYSA-N 1 1 330.476 3.116 20 10 EGCDMO CNC(=O)CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000846842244 1321815688 /nfs/dbraw/zinc/81/56/88/1321815688.db2.gz RQGXULWIOCAWLM-MRXNPFEDSA-N 1 1 326.440 3.482 20 10 EGCDMO CCc1nsc(N2CCC[N@@H+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848889097 1322029786 /nfs/dbraw/zinc/02/97/86/1322029786.db2.gz FSWVLZVMYRGEAO-UHFFFAOYSA-N 1 1 346.500 3.081 20 10 EGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H]1c1ccc(Cl)cc1 ZINC000848920403 1322045413 /nfs/dbraw/zinc/04/54/13/1322045413.db2.gz FYWJHPWGJRECGU-DLBZAZTESA-N 1 1 345.826 3.434 20 10 EGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921747694 1322390209 /nfs/dbraw/zinc/39/02/09/1322390209.db2.gz RBYCEQAFVYTCLS-XLIONFOSSA-N 1 1 346.515 3.238 20 10 EGCDMO CCOCCC[N@@H+]1CC[C@H](NCc2ccc3c(c2)CCCO3)[C@H](C)C1 ZINC000921747694 1322390214 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CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000730258077 574963246 /nfs/dbraw/zinc/96/32/46/574963246.db2.gz YCQALTOLXPUQHI-CQSZACIVSA-N 1 1 343.427 3.039 20 10 EGCDMO O=C(NCc1ccccc1O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731545183 575080090 /nfs/dbraw/zinc/08/00/90/575080090.db2.gz WBMQBKFSELEBQU-SFHVURJKSA-N 1 1 345.487 3.236 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](CCc1cccc(F)c1)C1CC1)OCO2 ZINC000733789479 575389574 /nfs/dbraw/zinc/38/95/74/575389574.db2.gz UBYYOWWBKGKUIP-UHFFFAOYSA-N 1 1 329.371 3.467 20 10 EGCDMO CCc1cc(C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)on1 ZINC000741258996 576669514 /nfs/dbraw/zinc/66/95/14/576669514.db2.gz UYUFJWIVIZRAKZ-UHFFFAOYSA-N 1 1 344.415 3.425 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)C)C2)cc1 ZINC000741753789 576717225 /nfs/dbraw/zinc/71/72/25/576717225.db2.gz BPSOFHRYKXLVHW-GOSISDBHSA-N 1 1 331.504 3.127 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000743869821 576817941 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Cc1cc(C[N@H+]2CC[C@H](n3cncn3)C2)ccc1N1CCCCC1 ZINC000828978861 1292525513 /nfs/dbraw/zinc/52/55/13/1292525513.db2.gz HVFNVNDYKMNHNO-SFHVURJKSA-N 1 1 325.460 3.024 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000079385444 1292556822 /nfs/dbraw/zinc/55/68/22/1292556822.db2.gz UXZHJZAAONKMEL-HNNXBMFYSA-N 1 1 345.370 3.006 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000079385444 1292556833 /nfs/dbraw/zinc/55/68/33/1292556833.db2.gz UXZHJZAAONKMEL-HNNXBMFYSA-N 1 1 345.370 3.006 20 10 EGCDMO COC(=O)COc1c(C)cc(C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000091974731 1292850196 /nfs/dbraw/zinc/85/01/96/1292850196.db2.gz BMMQGRSYCPBQAT-UHFFFAOYSA-N 1 1 343.423 3.193 20 10 EGCDMO CSCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093558765 1292925330 /nfs/dbraw/zinc/92/53/30/1292925330.db2.gz SXEMPXLOIXTDHN-AWEZNQCLSA-N 1 1 326.481 3.236 20 10 EGCDMO CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000093605246 1292925345 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CCCN1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000161604057 1294296142 /nfs/dbraw/zinc/29/61/42/1294296142.db2.gz DBZDDGQJXGQXNA-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO CCCC[N@H+](C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163530029 1294335772 /nfs/dbraw/zinc/33/57/72/1294335772.db2.gz OYCISPLCRXFQBM-MRXNPFEDSA-N 1 1 337.483 3.045 20 10 EGCDMO CCCC[N@@H+](C)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000163530029 1294335779 /nfs/dbraw/zinc/33/57/79/1294335779.db2.gz OYCISPLCRXFQBM-MRXNPFEDSA-N 1 1 337.483 3.045 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000172485906 1294437794 /nfs/dbraw/zinc/43/77/94/1294437794.db2.gz AVGFQMBIHIGRTQ-KRWDZBQOSA-N 1 1 332.488 3.456 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@H]2CN2CCCC2)c1 ZINC000172485906 1294437796 /nfs/dbraw/zinc/43/77/96/1294437796.db2.gz AVGFQMBIHIGRTQ-KRWDZBQOSA-N 1 1 332.488 3.456 20 10 EGCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)c1O ZINC000178849805 1294758205 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C[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(F)cc1O ZINC000186200757 1295311819 /nfs/dbraw/zinc/31/18/19/1295311819.db2.gz ITZURLIHQBZTCZ-XHDPSFHLSA-N 1 1 338.423 3.485 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)[C@@H]1CO ZINC000191179210 1295656392 /nfs/dbraw/zinc/65/63/92/1295656392.db2.gz BVOJFXLAPDVTJX-DNVCBOLYSA-N 1 1 327.424 3.174 20 10 EGCDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000237416877 1296241393 /nfs/dbraw/zinc/24/13/93/1296241393.db2.gz JDPADLCPKDARFK-HUUCEWRRSA-N 1 1 339.439 3.130 20 10 EGCDMO CC(C)[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000303656693 1296842930 /nfs/dbraw/zinc/84/29/30/1296842930.db2.gz GIIPPVHLZPROIQ-LJQANCHMSA-N 1 1 331.504 3.222 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1cccc(F)c1 ZINC000305820488 1297057585 /nfs/dbraw/zinc/05/75/85/1297057585.db2.gz BDSCDZJIUKAVLH-CVEARBPZSA-N 1 1 344.430 3.119 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c(C)n1-c1cccc(F)c1 ZINC000305820488 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338.310 3.438 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cc(Br)c(F)cc1O ZINC000756571660 1300524541 /nfs/dbraw/zinc/52/45/41/1300524541.db2.gz CVFVAYISGFCCDA-HJIKLVIJSA-N 1 1 332.213 3.248 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1 ZINC000756607593 1300530047 /nfs/dbraw/zinc/53/00/47/1300530047.db2.gz FTILAWRXQVNBEN-STQMWFEESA-N 1 1 347.386 3.436 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000756607587 1300530916 /nfs/dbraw/zinc/53/09/16/1300530916.db2.gz FTILAWRXQVNBEN-OLZOCXBDSA-N 1 1 347.386 3.436 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)c(O)c(C(C)(C)C)c1 ZINC000760550457 1301294428 /nfs/dbraw/zinc/29/44/28/1301294428.db2.gz MWWNXWZIDMFGAU-MRXNPFEDSA-N 1 1 345.487 3.034 20 10 EGCDMO C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112715 1301404579 /nfs/dbraw/zinc/40/45/79/1301404579.db2.gz LGSJNIPEGMVFPZ-KBXCAEBGSA-N 1 1 338.411 3.496 20 10 EGCDMO C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112715 1301404584 /nfs/dbraw/zinc/40/45/84/1301404584.db2.gz LGSJNIPEGMVFPZ-KBXCAEBGSA-N 1 1 338.411 3.496 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)NCCC(C)(C)C)C2CC2)cc1 ZINC000762940016 1301790039 /nfs/dbraw/zinc/79/00/39/1301790039.db2.gz YIEWXCVELLNNKD-UHFFFAOYSA-N 1 1 331.504 3.269 20 10 EGCDMO COc1ccc(C[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)cc1OC ZINC000882988528 1302194159 /nfs/dbraw/zinc/19/41/59/1302194159.db2.gz UGYBXSJZJYGUMY-LLVKDONJSA-N 1 1 337.366 3.408 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]Cc3scnc3C3CC3)cc2)CC1 ZINC000883283742 1302361723 /nfs/dbraw/zinc/36/17/23/1302361723.db2.gz RHTXOZFBNUQOGN-UHFFFAOYSA-N 1 1 342.512 3.062 20 10 EGCDMO CCc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000766136609 1302398085 /nfs/dbraw/zinc/39/80/85/1302398085.db2.gz UETUEOSMMDIKLQ-ZDUSSCGKSA-N 1 1 333.407 3.064 20 10 EGCDMO CCOc1ccc(C[N@H+](C)CC(=O)Nc2ccccc2CC)c(O)c1 ZINC000768180589 1302846844 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CC[C@H]1c2ccccc2CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768445738 1302905688 /nfs/dbraw/zinc/90/56/88/1302905688.db2.gz IVCKTCQNFUZTAH-PKOBYXMFSA-N 1 1 325.408 3.327 20 10 EGCDMO Cc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444626 1302906723 /nfs/dbraw/zinc/90/67/23/1302906723.db2.gz MRCPXIZNDQGPHX-KUHUBIRLSA-N 1 1 325.408 3.116 20 10 EGCDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768444628 1302908250 /nfs/dbraw/zinc/90/82/50/1302908250.db2.gz MRCPXIZNDQGPHX-LIRRHRJNSA-N 1 1 325.408 3.116 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](Cc3ccccc3)C1)[C@H](O)CO2 ZINC000768452127 1302909173 /nfs/dbraw/zinc/90/91/73/1302909173.db2.gz OYILXKHRMUUCFB-OXJNMPFZSA-N 1 1 339.435 3.273 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c(O)c1 ZINC000768529397 1302926458 /nfs/dbraw/zinc/92/64/58/1302926458.db2.gz MZGFYNXNDCNEEL-OAHLLOKOSA-N 1 1 335.444 3.345 20 10 EGCDMO Cn1nnc2cc(C[N@@H+](Cc3ccco3)Cc3ccccc3O)ccc21 ZINC000768542768 1302930636 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C[C@H](NCC[N@@H+](C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299086 454410929 /nfs/dbraw/zinc/41/09/29/454410929.db2.gz IQGQAUSNBQGPTJ-INIZCTEOSA-N 1 1 349.494 3.187 20 10 EGCDMO C[C@H]([NH2+]CCN(C)C1CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000133299086 454410932 /nfs/dbraw/zinc/41/09/32/454410932.db2.gz IQGQAUSNBQGPTJ-INIZCTEOSA-N 1 1 349.494 3.187 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000092071295 454516245 /nfs/dbraw/zinc/51/62/45/454516245.db2.gz RUCHNTQMSCILDL-NSHDSACASA-N 1 1 336.233 3.257 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3cccnc3)cc2F)CC1 ZINC000092747358 454625620 /nfs/dbraw/zinc/62/56/20/454625620.db2.gz SWZCZNXJYRSSNK-MRXNPFEDSA-N 1 1 342.462 3.213 20 10 EGCDMO C[C@@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+]1CCCC1 ZINC000165285449 454898238 /nfs/dbraw/zinc/89/82/38/454898238.db2.gz ZJZQVBZNOKORBW-IRXDYDNUSA-N 1 1 349.494 3.045 20 10 EGCDMO Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179706482 455068716 /nfs/dbraw/zinc/06/87/16/455068716.db2.gz 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C[C@@H](CCNC(=O)Nc1ccc(N)cc1)[N@@H+](C)Cc1ccccc1 ZINC000379658870 1297535751 /nfs/dbraw/zinc/53/57/51/1297535751.db2.gz XVKRJIBUMGNZDR-HNNXBMFYSA-N 1 1 326.444 3.301 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000745853771 1298491311 /nfs/dbraw/zinc/49/13/11/1298491311.db2.gz BQGMURRLOFGYLZ-FUHWJXTLSA-N 1 1 346.519 3.157 20 10 EGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000745854651 1298492011 /nfs/dbraw/zinc/49/20/11/1298492011.db2.gz MXJAUNAZWSVIQZ-WMZOPIPTSA-N 1 1 346.519 3.155 20 10 EGCDMO CO[C@@H](C)c1noc(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000747529080 1298795206 /nfs/dbraw/zinc/79/52/06/1298795206.db2.gz GOHROTIWVPVGBI-ZDUSSCGKSA-N 1 1 331.416 3.427 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736217 1298947287 /nfs/dbraw/zinc/94/72/87/1298947287.db2.gz UKYMWVKWALOHDW-HOCLYGCPSA-N 1 1 334.460 3.436 20 10 EGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797083 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EGCDMO CCc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000883283796 1302361183 /nfs/dbraw/zinc/36/11/83/1302361183.db2.gz TXXXKEKLZKLODF-UHFFFAOYSA-N 1 1 329.513 3.352 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)c(O)c1 ZINC000883290317 1302370022 /nfs/dbraw/zinc/37/00/22/1302370022.db2.gz RANVPVDGTARKSU-QGZVFWFLSA-N 1 1 339.483 3.303 20 10 EGCDMO CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000768247333 1302864651 /nfs/dbraw/zinc/86/46/51/1302864651.db2.gz UDWFLUVFIRYPJR-UHFFFAOYSA-N 1 1 340.851 3.488 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+](C)CC(=O)N(C)C2CCCCC2)c1 ZINC000768301964 1302876723 /nfs/dbraw/zinc/87/67/23/1302876723.db2.gz FPORTWUBRZXGRX-UHFFFAOYSA-N 1 1 334.460 3.014 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)c1 ZINC000768301964 1302876737 /nfs/dbraw/zinc/87/67/37/1302876737.db2.gz FPORTWUBRZXGRX-UHFFFAOYSA-N 1 1 334.460 3.014 20 10 EGCDMO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)[C@H]1CCCc2ccccc21 ZINC000768441930 1302903875 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EGCDMO Cc1cc(Br)cc(CN(C2CC2)C2CC[NH2+]CC2)c1O ZINC000843043885 1321460642 /nfs/dbraw/zinc/46/06/42/1321460642.db2.gz PEJBHBGRZIMLJY-UHFFFAOYSA-N 1 1 339.277 3.180 20 10 EGCDMO Oc1c(Br)cccc1CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000843048213 1321461166 /nfs/dbraw/zinc/46/11/66/1321461166.db2.gz UJQORHPWDRNJLR-HUUCEWRRSA-N 1 1 339.277 3.261 20 10 EGCDMO [NH3+]CCN(Cc1ccccc1)Cc1cccc(Br)c1O ZINC000843059243 1321464068 /nfs/dbraw/zinc/46/40/68/1321464068.db2.gz HZGFCMNQTLDFCO-UHFFFAOYSA-N 1 1 335.245 3.116 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000843113545 1321472673 /nfs/dbraw/zinc/47/26/73/1321472673.db2.gz WOJMHWJVIMPJOX-GFCCVEGCSA-N 1 1 327.266 3.024 20 10 EGCDMO COc1c(O)c(C[NH2+]CCC[C@@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000846108367 1321768312 /nfs/dbraw/zinc/76/83/12/1321768312.db2.gz CBDGMUMDURHEPW-SNVBAGLBSA-N 1 1 349.214 3.373 20 10 EGCDMO CC[N@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000846219065 1321777539 /nfs/dbraw/zinc/77/75/39/1321777539.db2.gz FCKVIPWSUBPAHR-UHFFFAOYSA-N 1 1 329.282 3.496 20 10 EGCDMO CC[N@@H+](CCCCCC[NH3+])Cc1cc(Br)ccc1[O-] ZINC000846219065 1321777544 /nfs/dbraw/zinc/77/75/44/1321777544.db2.gz FCKVIPWSUBPAHR-UHFFFAOYSA-N 1 1 329.282 3.496 20 10 EGCDMO CCc1cccc(C[NH+]2CCN(C(=O)c3ccc(C)cc3)CC2)c1O ZINC000848900329 1322039332 /nfs/dbraw/zinc/03/93/32/1322039332.db2.gz DMNBIPALAPSEBH-UHFFFAOYSA-N 1 1 338.451 3.221 20 10 EGCDMO CCc1cccc(C[N@@H+](CCNC(C)=O)Cc2ccc(C)s2)c1O ZINC000848909208 1322042066 /nfs/dbraw/zinc/04/20/66/1322042066.db2.gz NHEIZVUHBYBXDV-UHFFFAOYSA-N 1 1 346.496 3.463 20 10 EGCDMO [NH2+]=C(NCc1cccc(Br)c1O)N1CCCCCC1 ZINC000849105439 1322080601 /nfs/dbraw/zinc/08/06/01/1322080601.db2.gz MMWOZONYSVJSML-UHFFFAOYSA-N 1 1 326.238 3.055 20 10 EGCDMO [NH3+]C1(CNCc2ccc(OCc3ccccc3)cc2O)CCCC1 ZINC000849350403 1322116988 /nfs/dbraw/zinc/11/69/88/1322116988.db2.gz YLXXEDNGEWAANZ-UHFFFAOYSA-N 1 1 326.440 3.332 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2[C@H](C)CO)c1O ZINC000852422766 1323188462 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348.450 3.390 20 10 EGCDMO C[N@@H+](CCc1nccs1)Cc1c(O)cccc1Br ZINC000862251232 1329471275 /nfs/dbraw/zinc/47/12/75/1329471275.db2.gz YGGCSVRZCVBSJK-UHFFFAOYSA-N 1 1 327.247 3.286 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1n1ccnc1 ZINC000862251491 1329471285 /nfs/dbraw/zinc/47/12/85/1329471285.db2.gz FWXJAIKEFDIXRU-ACJLOTCBSA-N 1 1 334.414 3.310 20 10 EGCDMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(F)c(N(C)C)cc1F ZINC000862388374 1329481087 /nfs/dbraw/zinc/48/10/87/1329481087.db2.gz AUFUOLQRZLUXIT-UHFFFAOYSA-N 1 1 336.430 3.423 20 10 EGCDMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(F)c(N(C)C)cc1F ZINC000862388374 1329481088 /nfs/dbraw/zinc/48/10/88/1329481088.db2.gz AUFUOLQRZLUXIT-UHFFFAOYSA-N 1 1 336.430 3.423 20 10 EGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1F ZINC000862393227 1329481890 /nfs/dbraw/zinc/48/18/90/1329481890.db2.gz NIORWNKWUIKBDL-HNAYVOBHSA-N 1 1 338.442 3.404 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1O ZINC000862483680 1329490117 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EGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CC(=O)NC2CC2)cc1 ZINC000294614306 455821082 /nfs/dbraw/zinc/82/10/82/455821082.db2.gz XDFCAAFTJBINAM-UHFFFAOYSA-N 1 1 343.496 3.095 20 10 EGCDMO COCC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)C ZINC000294781559 455827696 /nfs/dbraw/zinc/82/76/96/455827696.db2.gz ANNDICUIBJFURA-UHFFFAOYSA-N 1 1 334.504 3.406 20 10 EGCDMO CC[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295956692 455864489 /nfs/dbraw/zinc/86/44/89/455864489.db2.gz JALFMMAFTZQLPT-HXUWFJFHSA-N 1 1 332.488 3.039 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000272328290 455915661 /nfs/dbraw/zinc/91/56/61/455915661.db2.gz VONLOZAXGOFUSP-SWLSCSKDSA-N 1 1 338.423 3.266 20 10 EGCDMO C[C@@H](c1ccc(N(C)C)cc1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296637771 455997186 /nfs/dbraw/zinc/99/71/86/455997186.db2.gz XVTCDXJLHHOPRE-XYJFISCASA-N 1 1 337.467 3.095 20 10 EGCDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000271055347 456114561 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Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000472219727 458775461 /nfs/dbraw/zinc/77/54/61/458775461.db2.gz HLAIIXOHAJKERA-ZBFHGGJFSA-N 1 1 342.487 3.111 20 10 EGCDMO Oc1ccc2ccncc2c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000738267870 574552259 /nfs/dbraw/zinc/55/22/59/574552259.db2.gz AKBFILRZGWVSJB-UHFFFAOYSA-N 1 1 325.456 3.391 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCn1cc[nH+]c1C ZINC000733142924 575311110 /nfs/dbraw/zinc/31/11/10/575311110.db2.gz YGPFZJWXFCFMCQ-UHFFFAOYSA-N 1 1 336.439 3.337 20 10 EGCDMO Cc1n[nH]c(C)c1NC(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000733613806 575375309 /nfs/dbraw/zinc/37/53/09/575375309.db2.gz MEGFPFRUCFBFFP-UHFFFAOYSA-N 1 1 342.443 3.115 20 10 EGCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530108 575509694 /nfs/dbraw/zinc/50/96/94/575509694.db2.gz CQGZQDORCYKFLU-GOSISDBHSA-N 1 1 346.519 3.125 20 10 EGCDMO CC[N@@H+](CCC(=O)OC)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000738097795 576288758 /nfs/dbraw/zinc/28/87/58/576288758.db2.gz 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1292148955 /nfs/dbraw/zinc/14/89/55/1292148955.db2.gz VRBOYRMBBWSTFI-UHFFFAOYSA-N 1 1 345.512 3.295 20 10 EGCDMO COCCC[N@@H+](CCOC)Cc1c(O)ccc2ccc(OC)cc21 ZINC000068963720 1292224041 /nfs/dbraw/zinc/22/40/41/1292224041.db2.gz XDTDKJQBGIPXBI-UHFFFAOYSA-N 1 1 333.428 3.039 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000827645271 1292351187 /nfs/dbraw/zinc/35/11/87/1292351187.db2.gz UDSVTOWVLFKOQA-UHFFFAOYSA-N 1 1 325.408 3.194 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)ccc1N1CCCCC1 ZINC000827654861 1292353144 /nfs/dbraw/zinc/35/31/44/1292353144.db2.gz CFEOUZCMWCRXDL-GOSISDBHSA-N 1 1 343.515 3.463 20 10 EGCDMO Cc1cc(C[N@@H+](CCO)Cc2cccnc2)ccc1N1CCCCC1 ZINC000828053586 1292424507 /nfs/dbraw/zinc/42/45/07/1292424507.db2.gz WCYCKKBHYRFXHE-UHFFFAOYSA-N 1 1 339.483 3.375 20 10 EGCDMO CC(=O)N1CC[C@@H](C[N@H+](C)Cc2ccc(N3CCCCC3)c(C)c2)C1 ZINC000828493067 1292467549 /nfs/dbraw/zinc/46/75/49/1292467549.db2.gz ZQWKUBWUVDPRQI-FQEVSTJZSA-N 1 1 343.515 3.286 20 10 EGCDMO Cc1cc(C[N@H+]2CCc3n[nH]c(=O)cc3C2)ccc1N1CCCCC1 ZINC000828953127 1292521438 /nfs/dbraw/zinc/52/14/38/1292521438.db2.gz FCTAHGCRFFAOKJ-UHFFFAOYSA-N 1 1 338.455 3.039 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987856 1292525210 /nfs/dbraw/zinc/52/52/10/1292525210.db2.gz MNRQTTDFTDZIDD-DNVCBOLYSA-N 1 1 329.488 3.071 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](C)C[C@@H]3[C@@H](C)O)cc2)CC1 ZINC000829121736 1292543604 /nfs/dbraw/zinc/54/36/04/1292543604.db2.gz WAFSRTDHOUFULO-CSODHUTKSA-N 1 1 346.515 3.283 20 10 EGCDMO Cc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)ccc1N1CCCCC1 ZINC000829146101 1292546937 /nfs/dbraw/zinc/54/69/37/1292546937.db2.gz IJEBUHBUSCTYIX-CMKODMSKSA-N 1 1 341.499 3.071 20 10 EGCDMO Cc1cc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000829707950 1292607788 /nfs/dbraw/zinc/60/77/88/1292607788.db2.gz CMRGVYPPDHSAPH-SFTDATJTSA-N 1 1 344.499 3.365 20 10 EGCDMO Cc1cc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)ccc1N1CCCCC1 ZINC000829707950 1292607800 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C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)cc(F)c1[O-] ZINC000756482872 1300503391 /nfs/dbraw/zinc/50/33/91/1300503391.db2.gz JQEKBSHVIDJVAQ-HZSPNIEDSA-N 1 1 342.430 3.210 20 10 EGCDMO CCn1cc(C[NH2+][C@@H](C)c2cc(Br)c(F)cc2O)cn1 ZINC000756734033 1300556946 /nfs/dbraw/zinc/55/69/46/1300556946.db2.gz SJVPKQWFRRLNTF-VIFPVBQESA-N 1 1 342.212 3.361 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)c1cc(F)cc(F)c1O ZINC000756738272 1300557086 /nfs/dbraw/zinc/55/70/86/1300557086.db2.gz DXMUAMOEMBZXRF-STFLBKPXSA-N 1 1 325.380 3.259 20 10 EGCDMO C[C@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)c(F)cc1O ZINC000756769783 1300562726 /nfs/dbraw/zinc/56/27/26/1300562726.db2.gz NJNCUHHPIAXVSO-WPRPVWTQSA-N 1 1 332.213 3.105 20 10 EGCDMO C[C@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)c(F)cc1O ZINC000757706036 1300716471 /nfs/dbraw/zinc/71/64/71/1300716471.db2.gz TYFFOVROTIUKOK-QMMMGPOBSA-N 1 1 348.212 3.096 20 10 EGCDMO Cc1cc(C[N@@H+]2CCCN(C(=O)CC(C)C)CC2)ccc1N(C)C ZINC000879761287 1300725514 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CN(C)c1ccc(C[N@H+](C)CC(=O)N(C)C2CCCCC2)cc1F ZINC000768303396 1302875193 /nfs/dbraw/zinc/87/51/93/1302875193.db2.gz QCMBJCVFKZPGJS-UHFFFAOYSA-N 1 1 335.467 3.115 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CC(=O)N(C)C2CCCCC2)cc1F ZINC000768303396 1302875205 /nfs/dbraw/zinc/87/52/05/1302875205.db2.gz QCMBJCVFKZPGJS-UHFFFAOYSA-N 1 1 335.467 3.115 20 10 EGCDMO Cc1ccc(C2=CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)CC2)cc1 ZINC000768440699 1302904904 /nfs/dbraw/zinc/90/49/04/1302904904.db2.gz BYFYXHZTPXQJCJ-FQEVSTJZSA-N 1 1 337.419 3.416 20 10 EGCDMO C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768447897 1302905915 /nfs/dbraw/zinc/90/59/15/1302905915.db2.gz RGIOVUAWEDQXIN-WTANOLMUSA-N 1 1 325.408 3.196 20 10 EGCDMO CC[C@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446220 1302906036 /nfs/dbraw/zinc/90/60/36/1302906036.db2.gz LDUKLTYZYDYXQT-AEFFLSMTSA-N 1 1 328.412 3.186 20 10 EGCDMO Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768444459 1302906779 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LYGISWFVVIHTHV-CYBMUJFWSA-N 1 1 326.234 3.034 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000816630627 1319197280 /nfs/dbraw/zinc/19/72/80/1319197280.db2.gz LYGISWFVVIHTHV-CYBMUJFWSA-N 1 1 326.234 3.034 20 10 EGCDMO COc1cccc(O)c1C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000817414860 1319353027 /nfs/dbraw/zinc/35/30/27/1319353027.db2.gz POCXMCRVXKAFCQ-KBPBESRZSA-N 1 1 335.444 3.201 20 10 EGCDMO O=[N+]([O-])c1cc(CNCC[NH+]2CCCCC2)ccc1N1CCCCC1 ZINC000915226793 1319448322 /nfs/dbraw/zinc/44/83/22/1319448322.db2.gz QCUSSRNBIXXAAJ-UHFFFAOYSA-N 1 1 346.475 3.161 20 10 EGCDMO COc1ccc(N2CCC([NH2+][C@@H]3C[C@@H](N)c4ccccc43)CC2)cc1 ZINC000817902995 1319457112 /nfs/dbraw/zinc/45/71/12/1319457112.db2.gz DMBARGQHVQQTRY-NHCUHLMSSA-N 1 1 337.467 3.398 20 10 EGCDMO COc1ccc(N2CCC(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)CC2)cc1 ZINC000817902995 1319457119 /nfs/dbraw/zinc/45/71/19/1319457119.db2.gz DMBARGQHVQQTRY-NHCUHLMSSA-N 1 1 337.467 3.398 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1F ZINC000817938377 1319466402 /nfs/dbraw/zinc/46/64/02/1319466402.db2.gz JQDAEYLULBOFNB-ACJLOTCBSA-N 1 1 331.435 3.251 20 10 EGCDMO COc1cccc2c1CC[C@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938760 1319466723 /nfs/dbraw/zinc/46/67/23/1319466723.db2.gz RPDBQDFNZXIEQK-RBUKOAKNSA-N 1 1 325.456 3.038 20 10 EGCDMO COc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(F)c1 ZINC000817938176 1319467327 /nfs/dbraw/zinc/46/73/27/1319467327.db2.gz GHVHPRIBIBTUCW-BFUOFWGJSA-N 1 1 331.435 3.251 20 10 EGCDMO CC(=O)Nc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1 ZINC000817941366 1319469897 /nfs/dbraw/zinc/46/98/97/1319469897.db2.gz JMESZQMERRKEHE-VLIAUNLRSA-N 1 1 340.471 3.062 20 10 EGCDMO Cc1c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942841 1319470736 /nfs/dbraw/zinc/47/07/36/1319470736.db2.gz RFQPTFLLROHOTK-IFXJQAMLSA-N 1 1 329.492 3.189 20 10 EGCDMO C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817959408 1319478334 /nfs/dbraw/zinc/47/83/34/1319478334.db2.gz FUQKVFCQQMHAFS-JVXZTZIISA-N 1 1 333.657 3.196 20 10 EGCDMO CN(C)c1ccc(C[N@H+](CC(=O)N2CCc3ccccc32)C2CC2)cc1 ZINC000917073870 1319748941 /nfs/dbraw/zinc/74/89/41/1319748941.db2.gz FKWSDBRTMPQSIE-UHFFFAOYSA-N 1 1 349.478 3.306 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)N2CCc3ccccc32)C2CC2)cc1 ZINC000917073870 1319748947 /nfs/dbraw/zinc/74/89/47/1319748947.db2.gz FKWSDBRTMPQSIE-UHFFFAOYSA-N 1 1 349.478 3.306 20 10 EGCDMO COc1cccc(C[C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000917485876 1319821311 /nfs/dbraw/zinc/82/13/11/1319821311.db2.gz JSSSYIYNPSLLLN-INIZCTEOSA-N 1 1 341.407 3.337 20 10 EGCDMO CCOC(=O)C[N@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000823575770 1320187830 /nfs/dbraw/zinc/18/78/30/1320187830.db2.gz BEZMMVKARVJGHK-CYBMUJFWSA-N 1 1 346.254 3.341 20 10 EGCDMO CCOC(=O)C[N@@H+](CC[C@@H]1CC1(Cl)Cl)Cc1ccccc1O ZINC000823575770 1320187833 /nfs/dbraw/zinc/18/78/33/1320187833.db2.gz BEZMMVKARVJGHK-CYBMUJFWSA-N 1 1 346.254 3.341 20 10 EGCDMO C[N@H+](Cc1cccc(Br)c1O)[C@@H](CO)c1ccccc1 ZINC000824695956 1320277526 /nfs/dbraw/zinc/27/75/26/1320277526.db2.gz FONWLARWEWVOQS-HNNXBMFYSA-N 1 1 336.229 3.320 20 10 EGCDMO C[N@@H+](Cc1cccc(Br)c1O)[C@@H](CO)c1ccccc1 ZINC000824695956 1320277528 /nfs/dbraw/zinc/27/75/28/1320277528.db2.gz FONWLARWEWVOQS-HNNXBMFYSA-N 1 1 336.229 3.320 20 10 EGCDMO Cc1cc(O)c(C[N@H+](C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1Cl ZINC000824862045 1320292668 /nfs/dbraw/zinc/29/26/68/1320292668.db2.gz HHJCMUFZXKOHCP-HOCLYGCPSA-N 1 1 345.892 3.142 20 10 EGCDMO C[N@@H+](Cc1cc(F)ccc1O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000826810144 1320405715 /nfs/dbraw/zinc/40/57/15/1320405715.db2.gz OMABHYRAQQBNSS-UHFFFAOYSA-N 1 1 326.412 3.266 20 10 EGCDMO CC(C)(C)c1nnc(C[NH2+]Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000839170432 1320884153 /nfs/dbraw/zinc/88/41/53/1320884153.db2.gz LSWQZJNUHOGISO-UHFFFAOYSA-N 1 1 327.476 3.382 20 10 EGCDMO Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000840146736 1321039142 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EGCDMO CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000841009371 1321199243 /nfs/dbraw/zinc/19/92/43/1321199243.db2.gz NVBIQDUEPFKUJG-CHWSQXEVSA-N 1 1 341.293 3.365 20 10 EGCDMO Cc1cccc(-c2n[nH]cc2CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c1 ZINC000841041574 1321207276 /nfs/dbraw/zinc/20/72/76/1321207276.db2.gz DYGZNLWJUGSIKV-HXUWFJFHSA-N 1 1 349.482 3.241 20 10 EGCDMO CC(C)(CNC(=O)Nc1ccc(N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000841301297 1321249961 /nfs/dbraw/zinc/24/99/61/1321249961.db2.gz JPTAEVJQAPDXQR-UHFFFAOYSA-N 1 1 338.455 3.227 20 10 EGCDMO COC(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841759352 1321308524 /nfs/dbraw/zinc/30/85/24/1321308524.db2.gz YXNWOORXLYKUIB-LLVKDONJSA-N 1 1 326.824 3.175 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1[O-] ZINC000842472948 1321393154 /nfs/dbraw/zinc/39/31/54/1321393154.db2.gz NLPFMYGVOBOWTA-QGZVFWFLSA-N 1 1 336.863 3.212 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000843059509 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ZINC000715769576 1298285577 /nfs/dbraw/zinc/28/55/77/1298285577.db2.gz MACUTUPOWCWTLM-MRVPVSSYSA-N 1 1 342.212 3.187 20 10 EGCDMO CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715828975 1298289257 /nfs/dbraw/zinc/28/92/57/1298289257.db2.gz QTIFIXKRTFJVQZ-LLVKDONJSA-N 1 1 345.256 3.115 20 10 EGCDMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccccc2O)C1 ZINC000875404069 1298327388 /nfs/dbraw/zinc/32/73/88/1298327388.db2.gz SHNVJOZMNMDOTF-HZPDHXFCSA-N 1 1 333.476 3.120 20 10 EGCDMO CO[C@H](C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1)C1CCOCC1 ZINC000876570617 1298836843 /nfs/dbraw/zinc/83/68/43/1298836843.db2.gz IIISCPIYDSAZJK-HXUWFJFHSA-N 1 1 332.488 3.159 20 10 EGCDMO C[N@@H+](CCc1ccccc1F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876632345 1298884245 /nfs/dbraw/zinc/88/42/45/1298884245.db2.gz CRRZFOQPNOVHOG-UHFFFAOYSA-N 1 1 342.458 3.461 20 10 EGCDMO CC[N@@H+](CCc1ccccn1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876635080 1298885259 /nfs/dbraw/zinc/88/52/59/1298885259.db2.gz LJPSLHQJXRBKKS-UHFFFAOYSA-N 1 1 339.483 3.107 20 10 EGCDMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000876641537 1298889406 /nfs/dbraw/zinc/88/94/06/1298889406.db2.gz LBICTZJXLJGMAO-OAHLLOKOSA-N 1 1 334.460 3.437 20 10 EGCDMO OC1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000876658496 1298903611 /nfs/dbraw/zinc/90/36/11/1298903611.db2.gz XMELBZBVFUWEEV-LJQANCHMSA-N 1 1 340.471 3.098 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3c3ncc[nH]3)cc2)CC1 ZINC000876658496 1298903622 /nfs/dbraw/zinc/90/36/22/1298903622.db2.gz XMELBZBVFUWEEV-LJQANCHMSA-N 1 1 340.471 3.098 20 10 EGCDMO CCC(CC)[C@@H](CNCc1ccc(N2CCC(O)CC2)cc1)[NH+](C)C ZINC000876922976 1299067752 /nfs/dbraw/zinc/06/77/52/1299067752.db2.gz NVRONBJTPCRXBN-OAQYLSRUSA-N 1 1 347.547 3.104 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000749241332 1299174289 /nfs/dbraw/zinc/17/42/89/1299174289.db2.gz KYAKPRIALVYLQA-LJQANCHMSA-N 1 1 329.488 3.084 20 10 EGCDMO CCCOc1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1C ZINC000877562518 1299400871 /nfs/dbraw/zinc/40/08/71/1299400871.db2.gz VLPROOMIIBMKCH-GOSISDBHSA-N 1 1 345.487 3.367 20 10 EGCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCC(O)CC3)cc2)[C@@H](CC)CO1 ZINC000877611362 1299430258 /nfs/dbraw/zinc/43/02/58/1299430258.db2.gz PUZZAOZABVRJQD-PXNSSMCTSA-N 1 1 332.488 3.037 20 10 EGCDMO COCC[N@H+](Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750820817 1299458188 /nfs/dbraw/zinc/45/81/88/1299458188.db2.gz WGZBAFWRDRZAMO-UHFFFAOYSA-N 1 1 337.416 3.444 20 10 EGCDMO COCC[N@@H+](Cc1cccs1)Cc1cc(F)cc(C(C)=O)c1O ZINC000750820817 1299458196 /nfs/dbraw/zinc/45/81/96/1299458196.db2.gz WGZBAFWRDRZAMO-UHFFFAOYSA-N 1 1 337.416 3.444 20 10 EGCDMO OCC[N@H+](Cc1ccc(OCc2ccccc2)cc1O)CC1CC1 ZINC000753533544 1299965871 /nfs/dbraw/zinc/96/58/71/1299965871.db2.gz WGFZFRSQUIONMJ-UHFFFAOYSA-N 1 1 327.424 3.176 20 10 EGCDMO C[C@@H]1C[C@H](CCNC(=O)C2=CC(=O)CS2)C[N@H+]1Cc1ccccc1 ZINC000753831635 1300028232 /nfs/dbraw/zinc/02/82/32/1300028232.db2.gz VWYFKCSTXZKROY-ZBFHGGJFSA-N 1 1 344.480 3.484 20 10 EGCDMO C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756433303 1300489991 /nfs/dbraw/zinc/48/99/91/1300489991.db2.gz XCFYTYQOMFYNLY-CABCVRRESA-N 1 1 335.448 3.463 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)c1 ZINC000756448581 1300495380 /nfs/dbraw/zinc/49/53/80/1300495380.db2.gz CLMUXXKNVYCPCN-CABCVRRESA-N 1 1 348.487 3.340 20 10 EGCDMO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2O)ccc1OCCO ZINC000756457677 1300496249 /nfs/dbraw/zinc/49/62/49/1300496249.db2.gz JWEFZTGPKPFICD-QWHCGFSZSA-N 1 1 349.402 3.323 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000756458137 1300496520 /nfs/dbraw/zinc/49/65/20/1300496520.db2.gz UCBKWQLJHYVKJW-KGLIPLIRSA-N 1 1 341.407 3.081 20 10 EGCDMO COc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2O)cc1[N+](=O)[O-] ZINC000756490644 1300504553 /nfs/dbraw/zinc/50/45/53/1300504553.db2.gz QLASXVVNHFVNOY-VIFPVBQESA-N 1 1 338.310 3.438 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)COc2ccccc2)c1 ZINC000756496157 1300506794 /nfs/dbraw/zinc/50/67/94/1300506794.db2.gz VPJBFIKSTIMGHL-ZIAGYGMSSA-N 1 1 329.396 3.297 20 10 EGCDMO CCC[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851058 1300747322 /nfs/dbraw/zinc/74/73/22/1300747322.db2.gz ZMRHBMQYFDFDRL-KRWDZBQOSA-N 1 1 331.504 3.223 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)c1O ZINC000761216594 1301422693 /nfs/dbraw/zinc/42/26/93/1301422693.db2.gz SYCAVIGVXYMMID-OAHLLOKOSA-N 1 1 325.836 3.445 20 10 EGCDMO CCN(CC)c1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1 ZINC000762481799 1301688067 /nfs/dbraw/zinc/68/80/67/1301688067.db2.gz RCXDIOGATYYOMU-SFHVURJKSA-N 1 1 333.520 3.123 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763384548 1301891420 /nfs/dbraw/zinc/89/14/20/1301891420.db2.gz RVCHKZIBUJHZAD-OAHLLOKOSA-N 1 1 339.501 3.007 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H]1CC2(CC2)C(=O)O1 ZINC000763653976 1301940726 /nfs/dbraw/zinc/94/07/26/1301940726.db2.gz ZPSAAJVOZOZNPF-SFHVURJKSA-N 1 1 328.456 3.204 20 10 EGCDMO COC(=O)C[N@H+](CCCc1ccncc1)Cc1cc(Cl)ccc1O ZINC000764977709 1302179763 /nfs/dbraw/zinc/17/97/63/1302179763.db2.gz RKXZIUJQQPBKGQ-UHFFFAOYSA-N 1 1 348.830 3.048 20 10 EGCDMO COC(=O)C[N@@H+](CCCc1ccncc1)Cc1cc(Cl)ccc1O ZINC000764977709 1302179766 /nfs/dbraw/zinc/17/97/66/1302179766.db2.gz RKXZIUJQQPBKGQ-UHFFFAOYSA-N 1 1 348.830 3.048 20 10 EGCDMO CCn1ccnc1[C@@H](C)NCc1cc(Br)cc(F)c1[O-] ZINC000883135951 1302266593 /nfs/dbraw/zinc/26/65/93/1302266593.db2.gz QRHHMXJMAACUJO-SECBINFHSA-N 1 1 342.212 3.361 20 10 EGCDMO C[C@@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccc(Cl)cn1 ZINC000883289787 1302370106 /nfs/dbraw/zinc/37/01/06/1302370106.db2.gz ABSNJEXHXSKXLY-OAHLLOKOSA-N 1 1 344.890 3.338 20 10 EGCDMO O=[N+]([O-])c1ccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000768149897 1302838252 /nfs/dbraw/zinc/83/82/52/1302838252.db2.gz GHOWGKOUOXQYSN-UHFFFAOYSA-N 1 1 347.802 3.276 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](Cc1cccc(F)c1)C1CC1)[C@H](O)CO2 ZINC000768439288 1302901952 /nfs/dbraw/zinc/90/19/52/1302901952.db2.gz FIXPXRUELBUWIY-GOSISDBHSA-N 1 1 329.371 3.122 20 10 EGCDMO CC[N@@H+](Cc1cccc(Cl)c1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440834 1302902613 /nfs/dbraw/zinc/90/26/13/1302902613.db2.gz ZJJSEANBINRVPD-KRWDZBQOSA-N 1 1 333.815 3.494 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CC=C(c3ccc(F)cc3)CC1)[C@H](O)CO2 ZINC000768441939 1302905054 /nfs/dbraw/zinc/90/50/54/1302905054.db2.gz MGVACWYDEKOVAN-LJQANCHMSA-N 1 1 341.382 3.246 20 10 EGCDMO CCOc1cccc(C[N@@H+](CCOC)CCc2ccccc2)c1O ZINC000768587058 1302940834 /nfs/dbraw/zinc/94/08/34/1302940834.db2.gz QOXVIGRBQVRTHQ-UHFFFAOYSA-N 1 1 329.440 3.482 20 10 EGCDMO C[C@@H]([NH2+][C@@H](CN1CCOCC1)c1ccccc1)c1c(O)cccc1F ZINC000886495093 1303476616 /nfs/dbraw/zinc/47/66/16/1303476616.db2.gz HRGOPCJVYNPXAP-QAPCUYQASA-N 1 1 344.430 3.255 20 10 EGCDMO CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2c(O)cccc2F)n1 ZINC000886596282 1303517545 /nfs/dbraw/zinc/51/75/45/1303517545.db2.gz ATIJELIFFHRNPF-JTQLQIEISA-N 1 1 338.404 3.058 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1)c1c(O)cccc1F ZINC000886648515 1303538419 /nfs/dbraw/zinc/53/84/19/1303538419.db2.gz WJTYWOUQLOFOCW-JHJVBQTASA-N 1 1 338.423 3.485 20 10 EGCDMO CCN(C)c1ccc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000773814951 1303740415 /nfs/dbraw/zinc/74/04/15/1303740415.db2.gz XDSJNAKIXMCUGV-LJQANCHMSA-N 1 1 346.496 3.018 20 10 EGCDMO COc1c(O)c(C[NH2+]CCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000774943361 1303881325 /nfs/dbraw/zinc/88/13/25/1303881325.db2.gz ZYQCJHNGHKDGOJ-UHFFFAOYSA-N 1 1 336.775 3.295 20 10 EGCDMO CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775001652 1303887114 /nfs/dbraw/zinc/88/71/14/1303887114.db2.gz BTHKDEQMEABCOQ-OAHLLOKOSA-N 1 1 330.384 3.420 20 10 EGCDMO COc1c(O)c(C[NH2+]CC2(Cc3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000775033404 1303891597 /nfs/dbraw/zinc/89/15/97/1303891597.db2.gz NIJRVSYTGBGXPZ-UHFFFAOYSA-N 1 1 342.395 3.422 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnn2ccccc12 ZINC000775143989 1303915249 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C[N@@H+](Cc1nc2c(s1)CCC2)Cc1ccc(N2CCOCC2)cc1 ZINC000775646956 1304003922 /nfs/dbraw/zinc/00/39/22/1304003922.db2.gz NELRJGGKHDQVDW-UHFFFAOYSA-N 1 1 343.496 3.100 20 10 EGCDMO CCC(CC)[N@H+](CCOC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775656922 1304006450 /nfs/dbraw/zinc/00/64/50/1304006450.db2.gz PUUNWRMQIOTHKV-UHFFFAOYSA-N 1 1 333.520 3.075 20 10 EGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775656922 1304006459 /nfs/dbraw/zinc/00/64/59/1304006459.db2.gz PUUNWRMQIOTHKV-UHFFFAOYSA-N 1 1 333.520 3.075 20 10 EGCDMO Cc1cccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000775669768 1304010942 /nfs/dbraw/zinc/01/09/42/1304010942.db2.gz OOGDGTBQEMIAIC-UHFFFAOYSA-N 1 1 338.451 3.437 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775725240 1304022029 /nfs/dbraw/zinc/02/20/29/1304022029.db2.gz QVLXVTFPROXQTJ-VQTJNVASSA-N 1 1 345.556 3.298 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@@H]43)cc2)CC1 ZINC000775725240 1304022032 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Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000781396198 1304822873 /nfs/dbraw/zinc/82/28/73/1304822873.db2.gz JVLWEVKMFXHZPE-QGZVFWFLSA-N 1 1 337.467 3.474 20 10 EGCDMO CC(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000781982406 1304898053 /nfs/dbraw/zinc/89/80/53/1304898053.db2.gz AWJWCGOKFNLVLL-GOSISDBHSA-N 1 1 331.504 3.079 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000783592537 1305113647 /nfs/dbraw/zinc/11/36/47/1305113647.db2.gz IPDWSQIZXRFLFP-QMMLZNLJSA-N 1 1 327.516 3.449 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCN(C)CC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000783592537 1305113650 /nfs/dbraw/zinc/11/36/50/1305113650.db2.gz IPDWSQIZXRFLFP-QMMLZNLJSA-N 1 1 327.516 3.449 20 10 EGCDMO COCC[N@@H+](CCc1ccccc1)Cc1ccc(OC)c(OC)c1O ZINC000891678683 1305133116 /nfs/dbraw/zinc/13/31/16/1305133116.db2.gz LHIRLESRKWSACE-UHFFFAOYSA-N 1 1 345.439 3.101 20 10 EGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2O)C1 ZINC000892094318 1305248148 /nfs/dbraw/zinc/24/81/48/1305248148.db2.gz ANTSFRLLVDJJED-CQSZACIVSA-N 1 1 343.423 3.408 20 10 EGCDMO CCN(CC)c1ccc(C[NH2+]Cc2cn(Cc3ccccc3)nn2)cc1 ZINC000892614980 1305472046 /nfs/dbraw/zinc/47/20/46/1305472046.db2.gz PIJRBERSCDZCNK-UHFFFAOYSA-N 1 1 349.482 3.462 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CCC(=O)Nc2cccnc2)C2CC2)cc1 ZINC000790123782 1306264164 /nfs/dbraw/zinc/26/41/64/1306264164.db2.gz JOYRYVQOYWTWLF-UHFFFAOYSA-N 1 1 338.455 3.141 20 10 EGCDMO CCc1cccc(NC(=O)C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790961538 1308896416 /nfs/dbraw/zinc/89/64/16/1308896416.db2.gz XEQQGOFXWPABBU-UHFFFAOYSA-N 1 1 336.794 3.475 20 10 EGCDMO O=C(NC1CC1)c1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000790962833 1308897071 /nfs/dbraw/zinc/89/70/71/1308897071.db2.gz URXSBLCWNWEUHX-UHFFFAOYSA-N 1 1 348.805 3.367 20 10 EGCDMO COCCCCc1ccc[nH+]c1NCc1ccc(OC)c(OC)c1O ZINC000894578570 1308963312 /nfs/dbraw/zinc/96/33/12/1308963312.db2.gz VWGWRDDTSKYMIF-UHFFFAOYSA-N 1 1 346.427 3.386 20 10 EGCDMO COc1ccc(C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)c(O)c1OC ZINC000894920503 1309127867 /nfs/dbraw/zinc/12/78/67/1309127867.db2.gz RDGHKEKUKLAIGC-GOSISDBHSA-N 1 1 335.444 3.046 20 10 EGCDMO CC(=O)NC1CCC([N@H+](C)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792173337 1309136277 /nfs/dbraw/zinc/13/62/77/1309136277.db2.gz ASCHNBJWVSJZAU-UHFFFAOYSA-N 1 1 328.815 3.064 20 10 EGCDMO CC(=O)NC1CCC([N@@H+](C)Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792173337 1309136281 /nfs/dbraw/zinc/13/62/81/1309136281.db2.gz ASCHNBJWVSJZAU-UHFFFAOYSA-N 1 1 328.815 3.064 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214695 1309319078 /nfs/dbraw/zinc/31/90/78/1309319078.db2.gz QCKUTHIQXAVKIB-NHYWBVRUSA-N 1 1 340.261 3.462 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)c1O ZINC000793214695 1309319087 /nfs/dbraw/zinc/31/90/87/1309319087.db2.gz QCKUTHIQXAVKIB-NHYWBVRUSA-N 1 1 340.261 3.462 20 10 EGCDMO COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)c(O)c1OC ZINC000895405741 1309319283 /nfs/dbraw/zinc/31/92/83/1309319283.db2.gz PCKSYLGPUZQOGG-HOCLYGCPSA-N 1 1 335.444 3.191 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000793620233 1309418385 /nfs/dbraw/zinc/41/83/85/1309418385.db2.gz NSHZSZFBLPZHMF-MRXNPFEDSA-N 1 1 340.261 3.466 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1 ZINC000793620233 1309418389 /nfs/dbraw/zinc/41/83/89/1309418389.db2.gz NSHZSZFBLPZHMF-MRXNPFEDSA-N 1 1 340.261 3.466 20 10 EGCDMO CC[C@@H]([NH2+]CCNC(=O)c1cccc(C)c1)c1ccc(F)cc1O ZINC000796703144 1310067592 /nfs/dbraw/zinc/06/75/92/1310067592.db2.gz SECSPRCIDFTUMB-QGZVFWFLSA-N 1 1 330.403 3.310 20 10 EGCDMO C[C@H]([C@H](C)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)N1CCOCC1 ZINC000798182213 1310311139 /nfs/dbraw/zinc/31/11/39/1310311139.db2.gz GDEPDSBZAPPTQK-RWMBFGLXSA-N 1 1 346.393 3.171 20 10 EGCDMO C[C@@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000798182515 1310313537 /nfs/dbraw/zinc/31/35/37/1310313537.db2.gz UKDCNKWNAHZYDK-NEPJUHHUSA-N 1 1 333.350 3.257 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(Br)cc1[O-] ZINC000817960113 1319477616 /nfs/dbraw/zinc/47/76/16/1319477616.db2.gz KPJBGFLETXEJFN-MJVIPROJSA-N 1 1 327.266 3.323 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CO)CC2CCCC2)c1 ZINC000798938212 1310461642 /nfs/dbraw/zinc/46/16/42/1310461642.db2.gz USKNPGLQZUPLJE-DZGCQCFKSA-N 1 1 335.444 3.018 20 10 EGCDMO Oc1c(Br)cccc1CN1CCC([NH2+]C2CCC2)CC1 ZINC000897981389 1310538498 /nfs/dbraw/zinc/53/84/98/1310538498.db2.gz LEQVMDZYFYILPE-UHFFFAOYSA-N 1 1 339.277 3.261 20 10 EGCDMO COc1c(O)c(C[NH2+]CC2(OC)CCCCCC2)ccc1[N+](=O)[O-] ZINC000898260790 1310650781 /nfs/dbraw/zinc/65/07/81/1310650781.db2.gz KZEVCONHUXGGCO-UHFFFAOYSA-N 1 1 338.404 3.138 20 10 EGCDMO COc1c(O)c(C[NH2+]CC[C@@]2(C)CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000824968131 1320301103 /nfs/dbraw/zinc/30/11/03/1320301103.db2.gz AFSNKNOAEJDTPQ-ZDUSSCGKSA-N 1 1 349.214 3.373 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000801981731 1316973963 /nfs/dbraw/zinc/97/39/63/1316973963.db2.gz AJTFVINDYXMGBL-QGZVFWFLSA-N 1 1 347.503 3.436 20 10 EGCDMO COc1ccc(OC)c(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858091671 1328679400 /nfs/dbraw/zinc/67/94/00/1328679400.db2.gz YXQQCHGUTJATNQ-UHFFFAOYSA-N 1 1 336.382 3.338 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]([C@H](C)CO)C2CCCC2)c1O ZINC000805751710 1317417679 /nfs/dbraw/zinc/41/76/79/1317417679.db2.gz OLZRIGWKUWVPGW-LLVKDONJSA-N 1 1 325.836 3.374 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]([C@H](C)CO)C2CCCC2)c1O ZINC000805751710 1317417682 /nfs/dbraw/zinc/41/76/82/1317417682.db2.gz OLZRIGWKUWVPGW-LLVKDONJSA-N 1 1 325.836 3.374 20 10 EGCDMO CC[NH+](CC)CCCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806285759 1317477455 /nfs/dbraw/zinc/47/74/55/1317477455.db2.gz OTJYXCDLCPJMKF-UHFFFAOYSA-N 1 1 348.274 3.230 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)CN2CCN(c3ccccc3)C2=O)cc1 ZINC000808135240 1317628594 /nfs/dbraw/zinc/62/85/94/1317628594.db2.gz UBWOEFQZDHHQDI-UHFFFAOYSA-N 1 1 338.455 3.084 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CN2CCN(c3ccccc3)C2=O)cc1 ZINC000808135240 1317628597 /nfs/dbraw/zinc/62/85/97/1317628597.db2.gz UBWOEFQZDHHQDI-UHFFFAOYSA-N 1 1 338.455 3.084 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1 ZINC000904460935 1317850507 /nfs/dbraw/zinc/85/05/07/1317850507.db2.gz BYYZNEQWMRNPPV-HZPDHXFCSA-N 1 1 347.256 3.177 20 10 EGCDMO COc1cccc(C[N@H+](CCc2ccccc2)CCN(C)C)c1O ZINC000809731279 1317881965 /nfs/dbraw/zinc/88/19/65/1317881965.db2.gz SHGBLLJUWRIYPR-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO COc1cccc(CN(CCc2ccccc2)CC[NH+](C)C)c1O ZINC000809731279 1317881973 /nfs/dbraw/zinc/88/19/73/1317881973.db2.gz SHGBLLJUWRIYPR-UHFFFAOYSA-N 1 1 328.456 3.007 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000809748917 1317889335 /nfs/dbraw/zinc/88/93/35/1317889335.db2.gz GHDCTGJWALNXEK-OAHLLOKOSA-N 1 1 335.444 3.345 20 10 EGCDMO C[N@H+](Cc1ccc(OCc2ccccc2)cc1O)C[C@H](O)C1CC1 ZINC000809752193 1317890050 /nfs/dbraw/zinc/89/00/50/1317890050.db2.gz PDORUVSXMSIXCU-FQEVSTJZSA-N 1 1 327.424 3.174 20 10 EGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)CC1 ZINC000809755542 1317891387 /nfs/dbraw/zinc/89/13/87/1317891387.db2.gz JXGJMRMKNWMOIW-ZDUSSCGKSA-N 1 1 326.843 3.348 20 10 EGCDMO COCC1(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)CCCCC1 ZINC000810260942 1317989609 /nfs/dbraw/zinc/98/96/09/1317989609.db2.gz RFXGMRRPMKMQNH-CQSZACIVSA-N 1 1 335.444 3.426 20 10 EGCDMO c1nc2c(s1)CCC[C@H]2[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000858355167 1328744117 /nfs/dbraw/zinc/74/41/17/1328744117.db2.gz UCGYKVVGCHYVTI-MRXNPFEDSA-N 1 1 329.469 3.147 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CC1Cc2ccccc2C1 ZINC000811454445 1318177863 /nfs/dbraw/zinc/17/78/63/1318177863.db2.gz LAHSQKUJDSMCMG-UHFFFAOYSA-N 1 1 336.479 3.370 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCCN3c4ccccc4C[C@H]3C2)c1O ZINC000811784200 1318264730 /nfs/dbraw/zinc/26/47/30/1318264730.db2.gz QEGOJTGKYNWXIW-SFHVURJKSA-N 1 1 338.451 3.346 20 10 EGCDMO Cc1cnn([C@@H]2CC[N@@H+](Cc3cc(C(C)(C)C)cc(O)c3O)C2)c1 ZINC000811799606 1318268836 /nfs/dbraw/zinc/26/88/36/1318268836.db2.gz YHPBPHVSVBBJKH-MRXNPFEDSA-N 1 1 329.444 3.347 20 10 EGCDMO C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858490999 1328778326 /nfs/dbraw/zinc/77/83/26/1328778326.db2.gz UYGPGQQVJRJBOI-DLBZAZTESA-N 1 1 349.494 3.045 20 10 EGCDMO C[C@H](NC[C@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858490999 1328778330 /nfs/dbraw/zinc/77/83/30/1328778330.db2.gz UYGPGQQVJRJBOI-DLBZAZTESA-N 1 1 349.494 3.045 20 10 EGCDMO Cc1cc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)ccc1N(C)C ZINC000815047956 1318873133 /nfs/dbraw/zinc/87/31/33/1318873133.db2.gz NAVQELINSJTPOM-FQEVSTJZSA-N 1 1 342.483 3.071 20 10 EGCDMO COC(=O)C[C@@](C)([NH2+]Cc1ccc(N(C)C)c(C)c1)c1ccccn1 ZINC000815095564 1318889094 /nfs/dbraw/zinc/88/90/94/1318889094.db2.gz RFRCFJCYBMYXOE-HXUWFJFHSA-N 1 1 341.455 3.024 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)cc1 ZINC000815117729 1318898169 /nfs/dbraw/zinc/89/81/69/1318898169.db2.gz PGPUPNBXZDPCIB-MRXNPFEDSA-N 1 1 330.394 3.422 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CC2CCCCC2)cc1 ZINC000913041489 1318965663 /nfs/dbraw/zinc/96/56/63/1318965663.db2.gz PTXSOMGBIHBPII-UHFFFAOYSA-N 1 1 331.504 3.223 20 10 EGCDMO CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815564994 1319016045 /nfs/dbraw/zinc/01/60/45/1319016045.db2.gz ZSNOMSLHMNTGGF-NWDGAFQWSA-N 1 1 335.366 3.095 20 10 EGCDMO C[C@H]([NH2+][C@H]1CC(=O)N(C(C)(C)C)C1)c1cccc(C(F)(F)F)c1O ZINC000815595227 1319024353 /nfs/dbraw/zinc/02/43/53/1319024353.db2.gz LDGSYSFRIYPRKN-QWRGUYRKSA-N 1 1 344.377 3.461 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCOC2)C1)c1cccc(C(F)(F)F)c1O ZINC000815600480 1319025695 /nfs/dbraw/zinc/02/56/95/1319025695.db2.gz URZPSLHVIQXWNV-MKBNYLNASA-N 1 1 345.361 3.400 20 10 EGCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2ccc3ccccc3c2O)CC1 ZINC000816493826 1319166405 /nfs/dbraw/zinc/16/64/05/1319166405.db2.gz OUZLMLGQSOADIH-UHFFFAOYSA-N 1 1 326.440 3.236 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000816498706 1319167188 /nfs/dbraw/zinc/16/71/88/1319167188.db2.gz HTQCQKBZSAMGDX-CQSZACIVSA-N 1 1 343.826 3.345 20 10 EGCDMO C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000817412571 1319352412 /nfs/dbraw/zinc/35/24/12/1319352412.db2.gz MUNHMCNTHUQXRX-NVXWUHKLSA-N 1 1 347.459 3.035 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1 ZINC000817413372 1319353711 /nfs/dbraw/zinc/35/37/11/1319353711.db2.gz XBWOKAPKQGLMFD-UONOGXRCSA-N 1 1 335.444 3.343 20 10 EGCDMO COc1cc(Cl)cc(C[NH2+]C(C)(C)c2cn(C(C)C)nn2)c1O ZINC000817419221 1319357229 /nfs/dbraw/zinc/35/72/29/1319357229.db2.gz DGNHJIPUTZJVDZ-UHFFFAOYSA-N 1 1 338.839 3.252 20 10 EGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939294 1319466498 /nfs/dbraw/zinc/46/64/98/1319466498.db2.gz BAWGMGZGQGYSHR-MOPGFXCFSA-N 1 1 343.446 3.395 20 10 EGCDMO CC[C@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817940094 1319468098 /nfs/dbraw/zinc/46/80/98/1319468098.db2.gz DUVVCHZMYGDZDD-AWEZNQCLSA-N 1 1 327.266 3.195 20 10 EGCDMO Cc1nc2c(s1)[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817940647 1319468170 /nfs/dbraw/zinc/46/81/70/1319468170.db2.gz GKCFSBJEYCTBAJ-HOTGVXAUSA-N 1 1 330.501 3.185 20 10 EGCDMO CC[C@@H]([NH2+]CC1CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817940095 1319468460 /nfs/dbraw/zinc/46/84/60/1319468460.db2.gz DUVVCHZMYGDZDD-CQSZACIVSA-N 1 1 327.266 3.195 20 10 EGCDMO CO[C@H](c1ccccc1)[C@@H](C)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940274 1319468499 /nfs/dbraw/zinc/46/84/99/1319468499.db2.gz FHXQBWWQAARFTC-YSGRDPCXSA-N 1 1 327.472 3.118 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000817941810 1319469654 /nfs/dbraw/zinc/46/96/54/1319469654.db2.gz LAWXZCRQHLMCRO-ZWKOTPCHSA-N 1 1 331.435 3.338 20 10 EGCDMO CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817957435 1319476772 /nfs/dbraw/zinc/47/67/72/1319476772.db2.gz CGTPNVULIPQVAR-KOLCDFICSA-N 1 1 333.245 3.318 20 10 EGCDMO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)cc1[O-] ZINC000817965057 1319479213 /nfs/dbraw/zinc/47/92/13/1319479213.db2.gz ONNZYLXRFOPVFL-LLVKDONJSA-N 1 1 327.266 3.195 20 10 EGCDMO Oc1ccccc1[C@H](CCc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000817980463 1319483801 /nfs/dbraw/zinc/48/38/01/1319483801.db2.gz BDYAQQIDVUMUKD-ICSRJNTNSA-N 1 1 340.467 3.034 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cc(Br)ccc1[O-] ZINC000817985302 1319486913 /nfs/dbraw/zinc/48/69/13/1319486913.db2.gz CCFJTHBAPNCGAK-FMCLSXCISA-N 1 1 339.277 3.193 20 10 EGCDMO COc1cccnc1C[NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000825250117 1320321284 /nfs/dbraw/zinc/32/12/84/1320321284.db2.gz VMRVDIJIVUKMIY-UHFFFAOYSA-N 1 1 339.361 3.465 20 10 EGCDMO C[C@@H](CO)[N@H+](Cc1ccc(Br)cc1O)CC1CCC1 ZINC000825815582 1320364369 /nfs/dbraw/zinc/36/43/69/1320364369.db2.gz CWPDRAYHHQDYFR-NSHDSACASA-N 1 1 328.250 3.138 20 10 EGCDMO CNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825939944 1320372875 /nfs/dbraw/zinc/37/28/75/1320372875.db2.gz JBTRZPUFCJYVQG-ZDUSSCGKSA-N 1 1 326.824 3.065 20 10 EGCDMO CC1(C)C[C@H](O)CC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000826089289 1320382717 /nfs/dbraw/zinc/38/27/17/1320382717.db2.gz CLPVTJPVWWJCOB-CYBMUJFWSA-N 1 1 328.250 3.138 20 10 EGCDMO CC/C(C)=C/C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000827311352 1320442952 /nfs/dbraw/zinc/44/29/52/1320442952.db2.gz YWADCTHSTQTSAX-LRFDDAOPSA-N 1 1 336.863 3.483 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C2CC2)cc1 ZINC000838794686 1320818162 /nfs/dbraw/zinc/81/81/62/1320818162.db2.gz YRCJBXCKUISGSU-UHFFFAOYSA-N 1 1 338.455 3.290 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@H](C(=O)OC)C1(OC)CCC1 ZINC000838983554 1320846801 /nfs/dbraw/zinc/84/68/01/1320846801.db2.gz VZVPRUSFHPJLJF-QGZVFWFLSA-N 1 1 335.444 3.105 20 10 EGCDMO CC[C@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccc(F)cc1O ZINC000840811552 1321154013 /nfs/dbraw/zinc/15/40/13/1321154013.db2.gz ZAMCWQCVOHOKEG-KSSFIOAISA-N 1 1 333.403 3.357 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956194 1321185316 /nfs/dbraw/zinc/18/53/16/1321185316.db2.gz LRWARCMXDUSZSI-CVEARBPZSA-N 1 1 348.240 3.463 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000840957202 1321186292 /nfs/dbraw/zinc/18/62/92/1321186292.db2.gz JESUHIVQJPICFL-HOTGVXAUSA-N 1 1 333.815 3.362 20 10 EGCDMO C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1 ZINC000841034052 1321205422 /nfs/dbraw/zinc/20/54/22/1321205422.db2.gz VXAZIZRGYIGZPX-NVXWUHKLSA-N 1 1 346.475 3.063 20 10 EGCDMO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841038171 1321206412 /nfs/dbraw/zinc/20/64/12/1321206412.db2.gz GTWMZENVPHUAEF-INIZCTEOSA-N 1 1 334.464 3.048 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2cccc(Br)c2)cc1 ZINC000841040981 1321207992 /nfs/dbraw/zinc/20/79/92/1321207992.db2.gz WTKUBGMAVFRPRP-QGZVFWFLSA-N 1 1 348.288 3.305 20 10 EGCDMO COc1ccc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)cc1Cl ZINC000841043949 1321208258 /nfs/dbraw/zinc/20/82/58/1321208258.db2.gz RRCCSANMACSPFO-QGZVFWFLSA-N 1 1 333.863 3.204 20 10 EGCDMO Nc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000841301415 1321249675 /nfs/dbraw/zinc/24/96/75/1321249675.db2.gz OELUTYUDTYLIES-CQSZACIVSA-N 1 1 344.484 3.364 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000841748539 1321307008 /nfs/dbraw/zinc/30/70/08/1321307008.db2.gz LGEUDRVKQGVSCU-CYZMBNFOSA-N 1 1 331.865 3.052 20 10 EGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCSC[C@H]1C1CCC1 ZINC000841893726 1321327714 /nfs/dbraw/zinc/32/77/14/1321327714.db2.gz OMXKJQKBWPCGKE-IBGZPJMESA-N 1 1 332.513 3.241 20 10 EGCDMO O=C(NCCC[C@H]1CCC[NH2+]1)NCc1cc(Cl)cc(Cl)c1O ZINC000842006865 1321334775 /nfs/dbraw/zinc/33/47/75/1321334775.db2.gz WBUAPTZAYQRKLI-GFCCVEGCSA-N 1 1 346.258 3.030 20 10 EGCDMO C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1[NH3+] ZINC000843051437 1321462271 /nfs/dbraw/zinc/46/22/71/1321462271.db2.gz HTVFUPYJQYXUKL-BEFAXECRSA-N 1 1 326.440 3.140 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c1 ZINC000843413410 1321514295 /nfs/dbraw/zinc/51/42/95/1321514295.db2.gz HXPAYIZNNRMSEL-UHFFFAOYSA-N 1 1 349.471 3.413 20 10 EGCDMO O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)ccc1N1CCCCC1 ZINC000843421329 1321515417 /nfs/dbraw/zinc/51/54/17/1321515417.db2.gz XOJVUFVSPWJMIW-APWZRJJASA-N 1 1 345.443 3.196 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc3c(c2)COC3)cc1 ZINC000844401141 1321600802 /nfs/dbraw/zinc/60/08/02/1321600802.db2.gz KORDIQGMRZPVGQ-UHFFFAOYSA-N 1 1 326.440 3.294 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+](C)CCN3CCCCC3)cc2)CC1 ZINC000844465339 1321609898 /nfs/dbraw/zinc/60/98/98/1321609898.db2.gz YRDZXGUGHJXSDE-UHFFFAOYSA-N 1 1 345.531 3.220 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)CCN3CCCCC3)cc2)CC1 ZINC000844465339 1321609901 /nfs/dbraw/zinc/60/99/01/1321609901.db2.gz YRDZXGUGHJXSDE-UHFFFAOYSA-N 1 1 345.531 3.220 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000846052500 1321764111 /nfs/dbraw/zinc/76/41/11/1321764111.db2.gz PACCSWQMUMLOAH-UHFFFAOYSA-N 1 1 341.455 3.222 20 10 EGCDMO COc1c(O)c(C[NH2+]CCC[C@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-] ZINC000846108365 1321768396 /nfs/dbraw/zinc/76/83/96/1321768396.db2.gz CBDGMUMDURHEPW-JTQLQIEISA-N 1 1 349.214 3.373 20 10 EGCDMO CC[N@@H+](C)[C@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846472136 1321787455 /nfs/dbraw/zinc/78/74/55/1321787455.db2.gz HLJMLUGZXWWTFS-KRWDZBQOSA-N 1 1 332.831 3.355 20 10 EGCDMO CCc1cccc(CNc2ccc(N3CCOCC3)[nH+]c2C)c1O ZINC000848900877 1322038885 /nfs/dbraw/zinc/03/88/85/1322038885.db2.gz LZIMJSNVRDWTNY-UHFFFAOYSA-N 1 1 327.428 3.107 20 10 EGCDMO CCc1cccc(C[N@H+]2CC[C@H](C(=O)NCc3ccccc3)C2)c1O ZINC000848918928 1322046306 /nfs/dbraw/zinc/04/63/06/1322046306.db2.gz BNESBFJJUWTIBR-IBGZPJMESA-N 1 1 338.451 3.093 20 10 EGCDMO CCOC(=O)CC[N@H+](Cc1cccc(Br)c1O)C(C)C ZINC000848928294 1322048009 /nfs/dbraw/zinc/04/80/09/1322048009.db2.gz YDFRRPNTULGRBL-UHFFFAOYSA-N 1 1 344.249 3.318 20 10 EGCDMO CCOC(=O)CC[N@@H+](Cc1cccc(Br)c1O)C(C)C ZINC000848928294 1322048014 /nfs/dbraw/zinc/04/80/14/1322048014.db2.gz YDFRRPNTULGRBL-UHFFFAOYSA-N 1 1 344.249 3.318 20 10 EGCDMO COc1cc(CN[C@H]2CC[N@@H+]3CCCC[C@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030701 1322185649 /nfs/dbraw/zinc/18/56/49/1322185649.db2.gz LSSFQIGVQRDKNI-ZWKOTPCHSA-N 1 1 332.488 3.415 20 10 EGCDMO COc1cc(CN[C@H]2CC[N@H+]3CCCC[C@H]23)c(O)c(C(C)(C)C)c1 ZINC000850030701 1322185656 /nfs/dbraw/zinc/18/56/56/1322185656.db2.gz LSSFQIGVQRDKNI-ZWKOTPCHSA-N 1 1 332.488 3.415 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@@H]1CO ZINC000857060997 1325564607 /nfs/dbraw/zinc/56/46/07/1325564607.db2.gz HSYSPIJYFYCPMI-VQIMIIECSA-N 1 1 341.451 3.422 20 10 EGCDMO CN1CCN(c2ccc(C[NH+]3CC(Cc4ccsc4)C3)cc2)CC1 ZINC000857067821 1325566654 /nfs/dbraw/zinc/56/66/54/1325566654.db2.gz GMEPILXGQGSJCF-UHFFFAOYSA-N 1 1 341.524 3.174 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000926920246 1327776873 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CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1[O-] ZINC000177201554 1294658283 /nfs/dbraw/zinc/65/82/83/1294658283.db2.gz DNQOCCZISYHPKS-UHFFFAOYSA-N 1 1 338.879 3.412 20 10 EGCDMO C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185342087 1295256003 /nfs/dbraw/zinc/25/60/03/1295256003.db2.gz LUAQJUORKYZIMB-LBPRGKRZSA-N 1 1 326.412 3.439 20 10 EGCDMO C[C@@H]([NH2+]CCc1nnc(-c2ccccc2)o1)c1ccc(F)cc1O ZINC000186148973 1295306814 /nfs/dbraw/zinc/30/68/14/1295306814.db2.gz XZQDYZCCBFQDME-GFCCVEGCSA-N 1 1 327.359 3.475 20 10 EGCDMO COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000187992397 1295429105 /nfs/dbraw/zinc/42/91/05/1295429105.db2.gz NZIFTLXDGACTEZ-QGZVFWFLSA-N 1 1 345.439 3.099 20 10 EGCDMO CC[C@@H](C[NH2+][C@H](C)c1ccc(F)cc1O)NC(=O)OC(C)(C)C ZINC000227719845 1296148351 /nfs/dbraw/zinc/14/83/51/1296148351.db2.gz CCKZEXQEZWOKTB-YPMHNXCESA-N 1 1 326.412 3.485 20 10 EGCDMO Cc1nonc1C[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000872135887 1296761852 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CC(=O)c1cc(F)cc(C[N@@H+]2CCN(C)c3ccccc3C2)c1O ZINC000748049592 1298918494 /nfs/dbraw/zinc/91/84/94/1298918494.db2.gz KKWVOZGCNRXKDG-UHFFFAOYSA-N 1 1 328.387 3.186 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC000748809957 1299085487 /nfs/dbraw/zinc/08/54/87/1299085487.db2.gz NFFWQEWMQCMQJQ-SFHVURJKSA-N 1 1 340.467 3.290 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CO)C2)c(C)n1-c1ccccc1C ZINC000748809957 1299085492 /nfs/dbraw/zinc/08/54/92/1299085492.db2.gz NFFWQEWMQCMQJQ-SFHVURJKSA-N 1 1 340.467 3.290 20 10 EGCDMO CC(C)[NH+](CCCNCc1ccc(N2CCC(O)CC2)cc1)C(C)C ZINC000877082872 1299150492 /nfs/dbraw/zinc/15/04/92/1299150492.db2.gz DXFPTNQEEQCFCT-UHFFFAOYSA-N 1 1 347.547 3.246 20 10 EGCDMO CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749588468 1299239554 /nfs/dbraw/zinc/23/95/54/1299239554.db2.gz QLCQCZPHJDAWDH-IBGZPJMESA-N 1 1 329.488 3.168 20 10 EGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877481710 1299332787 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CCC(CC)[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)N(C)C ZINC000756398446 1300484956 /nfs/dbraw/zinc/48/49/56/1300484956.db2.gz GREYUTHSZAQWES-DYVFJYSZSA-N 1 1 336.476 3.196 20 10 EGCDMO C[C@@H]([NH2+]Cc1cccc(N2CCOC2=O)c1)c1cc(F)cc(F)c1O ZINC000756447288 1300493476 /nfs/dbraw/zinc/49/34/76/1300493476.db2.gz UGPJKQACVSFDNT-LLVKDONJSA-N 1 1 348.349 3.478 20 10 EGCDMO COc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2O)cc1[N+](=O)[O-] ZINC000756490641 1300504616 /nfs/dbraw/zinc/50/46/16/1300504616.db2.gz QLASXVVNHFVNOY-SECBINFHSA-N 1 1 338.310 3.438 20 10 EGCDMO C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553937 1300519802 /nfs/dbraw/zinc/51/98/02/1300519802.db2.gz NIAGRWZFWKUULT-WDEREUQCSA-N 1 1 345.256 3.286 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCOc3ccccc32)c1 ZINC000756550573 1300520720 /nfs/dbraw/zinc/52/07/20/1300520720.db2.gz IYUFSQGAZLEDAX-DZGCQCFKSA-N 1 1 341.407 3.396 20 10 EGCDMO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756576951 1300525958 /nfs/dbraw/zinc/52/59/58/1300525958.db2.gz WNHNQBKBZVJIMJ-UINNMSKDSA-N 1 1 334.229 3.351 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)Oc2cccc(F)c2)c1 ZINC000756607717 1300530959 /nfs/dbraw/zinc/53/09/59/1300530959.db2.gz IAVUQPYWMCRUGG-OLZOCXBDSA-N 1 1 347.386 3.436 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)[nH+]cn3C)c1 ZINC000757610825 1300694291 /nfs/dbraw/zinc/69/42/91/1300694291.db2.gz IJXQBTOKKUWYID-NSHDSACASA-N 1 1 325.368 3.239 20 10 EGCDMO COCC[C@@H](Cc1ccco1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000757652894 1300704634 /nfs/dbraw/zinc/70/46/34/1300704634.db2.gz GVWMEGKYCHHLQG-HIFRSBDPSA-N 1 1 347.411 3.070 20 10 EGCDMO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1ccc(F)cc1O ZINC000760040748 1301213009 /nfs/dbraw/zinc/21/30/09/1301213009.db2.gz LCHJTQBINXNCCS-KHDYIWLOSA-N 1 1 333.378 3.487 20 10 EGCDMO CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000764679777 1302117227 /nfs/dbraw/zinc/11/72/27/1302117227.db2.gz VTWBZSPJGASFAF-SFHVURJKSA-N 1 1 345.464 3.068 20 10 EGCDMO COc1cc2c(cc1C[NH2+]Cc1cc(F)cc(F)c1O)O[C@@H](C)C2 ZINC000882886893 1302148823 /nfs/dbraw/zinc/14/88/23/1302148823.db2.gz QTOHFVJVSYBMCS-JTQLQIEISA-N 1 1 335.350 3.292 20 10 EGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(N2CCOC2=O)cc1 ZINC000882924555 1302170438 /nfs/dbraw/zinc/17/04/38/1302170438.db2.gz HRERUICAXNPWJI-NSHDSACASA-N 1 1 348.349 3.478 20 10 EGCDMO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cc(F)cc(F)c2O)C1 ZINC000882947163 1302177218 /nfs/dbraw/zinc/17/72/18/1302177218.db2.gz NEYKJMYULCVQNO-ZDUSSCGKSA-N 1 1 348.393 3.295 20 10 EGCDMO CC[N@H+]1C[C@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000765939867 1302355321 /nfs/dbraw/zinc/35/53/21/1302355321.db2.gz KPCYFDRHDOGITI-HOTGVXAUSA-N 1 1 340.471 3.044 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000883289243 1302367769 /nfs/dbraw/zinc/36/77/69/1302367769.db2.gz IVZHXOCUZFDRLE-NRFANRHFSA-N 1 1 339.458 3.355 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c(O)c1 ZINC000768180695 1302846464 /nfs/dbraw/zinc/84/64/64/1302846464.db2.gz OACZFBHGWNTLIC-MRXNPFEDSA-N 1 1 329.396 3.063 20 10 EGCDMO c1ccc([C@@H]2C[N@@H+](Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000768236633 1302862728 /nfs/dbraw/zinc/86/27/28/1302862728.db2.gz IACVZJAVEPVGRD-NRFANRHFSA-N 1 1 338.451 3.097 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccccc2-n2cncn2)C2CC2)cc1 ZINC000768257712 1302868310 /nfs/dbraw/zinc/86/83/10/1302868310.db2.gz OSBVDHGHGFWKLS-UHFFFAOYSA-N 1 1 347.466 3.498 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)c1 ZINC000768296698 1302876464 /nfs/dbraw/zinc/87/64/64/1302876464.db2.gz ZHAXULIOYHIUFD-OEPMTFCVSA-N 1 1 333.428 3.035 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@@H]1c1ccccc1 ZINC000768440904 1302903724 /nfs/dbraw/zinc/90/37/24/1302903724.db2.gz APRGJHKWUJQXPB-PKOBYXMFSA-N 1 1 325.408 3.401 20 10 EGCDMO COc1ccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768442007 1302904016 /nfs/dbraw/zinc/90/40/16/1302904016.db2.gz NFADTPHSOIZIFT-PKOBYXMFSA-N 1 1 341.407 3.164 20 10 EGCDMO Cc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768444324 1302905636 /nfs/dbraw/zinc/90/56/36/1302905636.db2.gz XMOZKLBWMNRMLJ-MJGOQNOKSA-N 1 1 325.408 3.464 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)[C@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444976 1302906245 /nfs/dbraw/zinc/90/62/45/1302906245.db2.gz ZVXPNTPMUDXGIP-AZUAARDMSA-N 1 1 337.419 3.470 20 10 EGCDMO CC[C@@H](c1ccncc1)[N@@H+](CC)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768446226 1302907768 /nfs/dbraw/zinc/90/77/68/1302907768.db2.gz LDUKLTYZYDYXQT-WMZOPIPTSA-N 1 1 328.412 3.186 20 10 EGCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768449730 1302910336 /nfs/dbraw/zinc/91/03/36/1302910336.db2.gz ZMZROFXHMWZOLJ-LJQANCHMSA-N 1 1 342.483 3.248 20 10 EGCDMO C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000768930212 1303015365 /nfs/dbraw/zinc/01/53/65/1303015365.db2.gz NCDCZMGPDLGILY-KRWDZBQOSA-N 1 1 338.451 3.479 20 10 EGCDMO COCC[N@@H+](CCOc1ccc(F)cc1)Cc1cc(C)ccc1O ZINC000769386523 1303104025 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CN(CC[N@H+](C)Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000809757001 1317894009 /nfs/dbraw/zinc/89/40/09/1317894009.db2.gz YPFAUEYLDOTALL-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO CN(CC[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000809757001 1317894018 /nfs/dbraw/zinc/89/40/18/1317894018.db2.gz YPFAUEYLDOTALL-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO COc1cccc(C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1O ZINC000809774861 1317898344 /nfs/dbraw/zinc/89/83/44/1317898344.db2.gz SLZXAXGUHSOOPI-CVEARBPZSA-N 1 1 329.440 3.387 20 10 EGCDMO Cc1ccc(-n2cc(C[NH2+][C@H](C)c3ccc(N(C)C)cc3)nn2)cc1 ZINC000906295376 1318074055 /nfs/dbraw/zinc/07/40/55/1318074055.db2.gz AMAOPCBQICEFNB-MRXNPFEDSA-N 1 1 335.455 3.493 20 10 EGCDMO COc1ccc2c(c1)C1(CC1)C[N@H+](Cc1cc3c(cc1O)OCO3)C2 ZINC000811517855 1318194167 /nfs/dbraw/zinc/19/41/67/1318194167.db2.gz BVZBOTCVHDZOLJ-UHFFFAOYSA-N 1 1 339.391 3.177 20 10 EGCDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910953832 1318699783 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C[N@H+]1CCC[C@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000816642372 1319198749 /nfs/dbraw/zinc/19/87/49/1319198749.db2.gz XQJPZKXIUJBSEM-INIZCTEOSA-N 1 1 339.277 3.072 20 10 EGCDMO COc1ccc(O)c(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000816643105 1319199739 /nfs/dbraw/zinc/19/97/39/1319199739.db2.gz VNZXFHVHYGEPQS-HNNXBMFYSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)c1 ZINC000816643105 1319199743 /nfs/dbraw/zinc/19/97/43/1319199743.db2.gz VNZXFHVHYGEPQS-HNNXBMFYSA-N 1 1 333.350 3.333 20 10 EGCDMO COc1cc(C)ccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817937978 1319466096 /nfs/dbraw/zinc/46/60/96/1319466096.db2.gz AVJBJCYIEPTHSZ-KXBFYZLASA-N 1 1 327.472 3.420 20 10 EGCDMO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938551 1319466155 /nfs/dbraw/zinc/46/61/55/1319466155.db2.gz MWBGAUBSOXRBGT-RTBURBONSA-N 1 1 342.443 3.402 20 10 EGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938838 1319466755 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Fc1cc(C[N@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1N1CCOCC1 ZINC000824942031 1320298963 /nfs/dbraw/zinc/29/89/63/1320298963.db2.gz USEBFGJHYLAXNE-PXNSSMCTSA-N 1 1 330.447 3.283 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000824949546 1320299391 /nfs/dbraw/zinc/29/93/91/1320299391.db2.gz MPTWPPKZNUYJQR-QAPCUYQASA-N 1 1 349.862 3.176 20 10 EGCDMO Cc1cc(C)nc(N2CC[NH+](Cc3cc(Cl)c(C)cc3O)CC2)n1 ZINC000825485420 1320342434 /nfs/dbraw/zinc/34/24/34/1320342434.db2.gz YQJCIVXMAHCUJE-UHFFFAOYSA-N 1 1 346.862 3.083 20 10 EGCDMO C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825641524 1320352192 /nfs/dbraw/zinc/35/21/92/1320352192.db2.gz SRCYPRBHUIBGKC-SUNKGSAMSA-N 1 1 328.250 3.136 20 10 EGCDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccc(Br)cc2O)C1 ZINC000825935599 1320372511 /nfs/dbraw/zinc/37/25/11/1320372511.db2.gz YLLGZRMJPNCKGK-SWLSCSKDSA-N 1 1 339.277 3.071 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1C(F)(F)F)c1ccn(C)n1 ZINC000839190504 1320890234 /nfs/dbraw/zinc/89/02/34/1320890234.db2.gz GXWKBKJGDCVHLK-NSHDSACASA-N 1 1 326.366 3.356 20 10 EGCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1)C(N)=O ZINC000840111178 1321031416 /nfs/dbraw/zinc/03/14/16/1321031416.db2.gz WVMMZHKTKMXLCP-AWEZNQCLSA-N 1 1 341.455 3.054 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948053 1321183608 /nfs/dbraw/zinc/18/36/08/1321183608.db2.gz KPTHULNVSUMSDY-GDBMZVCRSA-N 1 1 330.394 3.054 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956195 1321185780 /nfs/dbraw/zinc/18/57/80/1321185780.db2.gz LRWARCMXDUSZSI-HOTGVXAUSA-N 1 1 348.240 3.463 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2cccc(OC(F)F)c2)cc1 ZINC000841042968 1321207821 /nfs/dbraw/zinc/20/78/21/1321207821.db2.gz NFRXJZXGSNYXQO-KRWDZBQOSA-N 1 1 335.398 3.144 20 10 EGCDMO C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)c1ccc(Cl)cc1O ZINC000841762742 1321308183 /nfs/dbraw/zinc/30/81/83/1321308183.db2.gz KSFGYBWISQWAJN-LBPRGKRZSA-N 1 1 327.852 3.264 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843108337 1321471736 /nfs/dbraw/zinc/47/17/36/1321471736.db2.gz YFJYQTRANWLXHB-KDURUIRLSA-N 1 1 338.451 3.298 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC000843108337 1321471738 /nfs/dbraw/zinc/47/17/38/1321471738.db2.gz YFJYQTRANWLXHB-KDURUIRLSA-N 1 1 338.451 3.298 20 10 EGCDMO Nc1ccc(Cc2noc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000843162306 1321481135 /nfs/dbraw/zinc/48/11/35/1321481135.db2.gz VYRZQUCUNLLRTP-KRWDZBQOSA-N 1 1 349.438 3.017 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)CCCCn2ccnc2C)cc1 ZINC000844402088 1321600124 /nfs/dbraw/zinc/60/01/24/1321600124.db2.gz UNYKNOXQKOPBOS-UHFFFAOYSA-N 1 1 330.476 3.049 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@H](C)COCC2CC2)c1 ZINC000846073728 1321766731 /nfs/dbraw/zinc/76/67/31/1321766731.db2.gz QJGTYKNPKSOUFY-LLVKDONJSA-N 1 1 328.250 3.368 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000846205674 1321775412 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CCOc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000849349612 1322115649 /nfs/dbraw/zinc/11/56/49/1322115649.db2.gz CNELLBZJGWGWEK-RTBURBONSA-N 1 1 344.430 3.165 20 10 EGCDMO CN(C)c1ccc(C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)cc1 ZINC000849350103 1322116615 /nfs/dbraw/zinc/11/66/15/1322116615.db2.gz POCXARPLQNSGKL-WOJBJXKFSA-N 1 1 327.447 3.127 20 10 EGCDMO C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1ccc(F)cc1O ZINC000850580404 1322272993 /nfs/dbraw/zinc/27/29/93/1322272993.db2.gz LVULPKVXVIKRJU-VXJOIVPMSA-N 1 1 329.293 3.333 20 10 EGCDMO COc1ccc(-n2ccc(C[NH2+]Cc3ccc4c(c3)CCCO4)n2)cc1 ZINC000921687448 1322378611 /nfs/dbraw/zinc/37/86/11/1322378611.db2.gz GFWNFWJSBREDBD-UHFFFAOYSA-N 1 1 349.434 3.496 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCCC[C@H]3[C@@H](C)CO)cc2)CC1 ZINC000852429272 1323189866 /nfs/dbraw/zinc/18/98/66/1323189866.db2.gz ZGFNZKYAMUSHSW-UWJYYQICSA-N 1 1 346.515 3.285 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCOC3=O)C2)ccc1N1CCCCC1 ZINC000852442238 1323192947 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3.398 20 10 EGCDMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140467676 1378069164 /nfs/dbraw/zinc/06/91/64/1378069164.db2.gz UWTHPJNJLCMOIC-IAGOWNOFSA-N 1 1 325.836 3.063 20 10 EGCDMO COC(=O)[C@H]1C[N@@H+](Cc2cc(C)ccc2O)C[C@@H]1c1ccccc1 ZINC001140623999 1378100237 /nfs/dbraw/zinc/10/02/37/1378100237.db2.gz BHVUTIFBDHBPFR-MSOLQXFVSA-N 1 1 325.408 3.089 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(C)ccc2O)Cc2c1cnn2CC ZINC001140621587 1378100375 /nfs/dbraw/zinc/10/03/75/1378100375.db2.gz LWOMDWOPBFOGMV-INIZCTEOSA-N 1 1 329.444 3.053 20 10 EGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2F)c1 ZINC001140661560 1378108769 /nfs/dbraw/zinc/10/87/69/1378108769.db2.gz JITZJYIDPZBSAO-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO Cc1c(O)ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)c1O ZINC001140742771 1378128504 /nfs/dbraw/zinc/12/85/04/1378128504.db2.gz YPHISMXNCDXYNR-UHFFFAOYSA-N 1 1 335.407 3.399 20 10 EGCDMO Cc1ccc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c(O)c1 ZINC001140952233 1378190258 /nfs/dbraw/zinc/19/02/58/1378190258.db2.gz JIMRVBHNEXTYBQ-LJQANCHMSA-N 1 1 342.464 3.391 20 10 EGCDMO CO[C@H](C[NH+]1CCN(Cc2ccc(C)cc2O)CC1)c1ccccc1 ZINC001140957489 1378193009 /nfs/dbraw/zinc/19/30/09/1378193009.db2.gz BFFYUGOHFPSIFD-OAQYLSRUSA-N 1 1 340.467 3.206 20 10 EGCDMO CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(O)ccc1O ZINC001141160441 1378254615 /nfs/dbraw/zinc/25/46/15/1378254615.db2.gz YNBLFCMYIMSMLY-QDMKHBRRSA-N 1 1 348.443 3.118 20 10 EGCDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530412 1378454661 /nfs/dbraw/zinc/45/46/61/1378454661.db2.gz HDDFGQDURYAMPJ-NSHDSACASA-N 1 1 327.371 3.224 20 10 EGCDMO CC(C)(C)OC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530412 1378454664 /nfs/dbraw/zinc/45/46/64/1378454664.db2.gz HDDFGQDURYAMPJ-NSHDSACASA-N 1 1 327.371 3.224 20 10 EGCDMO Oc1cc(F)c(F)cc1C[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001142534573 1378455322 /nfs/dbraw/zinc/45/53/22/1378455322.db2.gz OMDYIXNRWUCQBC-GASCZTMLSA-N 1 1 330.378 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1384737331 /nfs/dbraw/zinc/73/73/31/1384737331.db2.gz NAGLWHRRHICALI-REPLKXPHSA-N 1 1 343.515 3.141 20 10 EGCDMO COC(=O)CCCC[C@H](C)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001173455156 1384973324 /nfs/dbraw/zinc/97/33/24/1384973324.db2.gz MYFSUHZMZALLKJ-KRWDZBQOSA-N 1 1 348.487 3.077 20 10 EGCDMO Cc1cc(CN2CCC[N@@H+](Cc3cc(Cl)ccc3O)CC2)no1 ZINC001319717523 1386267094 /nfs/dbraw/zinc/26/70/94/1386267094.db2.gz YNFNPFYLUPBOET-UHFFFAOYSA-N 1 1 335.835 3.050 20 10 EGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001319799450 1386301199 /nfs/dbraw/zinc/30/11/99/1386301199.db2.gz YXEQFOULUMIMGD-QGZVFWFLSA-N 1 1 345.487 3.386 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)NC3CC3)C2)cc1F ZINC001319948878 1386411972 /nfs/dbraw/zinc/41/19/72/1386411972.db2.gz XBTFIVYOSLSHLI-INIZCTEOSA-N 1 1 347.478 3.163 20 10 EGCDMO Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NCc2ccccc2O)c1 ZINC001321683376 1386956422 /nfs/dbraw/zinc/95/64/22/1386956422.db2.gz QGSXFCJBAMQDPD-IBGZPJMESA-N 1 1 338.451 3.372 20 10 EGCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@H]1C(F)(F)F ZINC001329791017 1389225156 /nfs/dbraw/zinc/22/51/56/1389225156.db2.gz GGSZWIIRBMJYOV-DOTOQJQBSA-N 1 1 342.405 3.280 20 10 EGCDMO C[N@@H+](CCc1ccc(F)cc1F)Cc1ccc(N2CCOCC2)cc1 ZINC001337566713 1389388042 /nfs/dbraw/zinc/38/80/42/1389388042.db2.gz LGQWLYJHERQUDA-UHFFFAOYSA-N 1 1 346.421 3.476 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccccc2N2CCCC2)cc1 ZINC001331420768 1389741581 /nfs/dbraw/zinc/74/15/81/1389741581.db2.gz ZPLIJHVQZATTPD-FQEVSTJZSA-N 1 1 338.499 3.142 20 10 EGCDMO C[NH+]1CCN(c2ccc(CNc3nc4ccccc4o3)cc2F)CC1 ZINC001341878918 1390544079 /nfs/dbraw/zinc/54/40/79/1390544079.db2.gz XCRMYLHAEWVJDW-UHFFFAOYSA-N 1 1 340.402 3.331 20 10 EGCDMO COc1ccccc1C[N@H+](Cc1ccc(N)cc1)C[C@@H]1CCCO1 ZINC001335284434 1390666224 /nfs/dbraw/zinc/66/62/24/1390666224.db2.gz COFXBRQMRMVNTG-IBGZPJMESA-N 1 1 326.440 3.459 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC001345159815 1390842329 /nfs/dbraw/zinc/84/23/29/1390842329.db2.gz MZCFZBOYZNBKSQ-HOCLYGCPSA-N 1 1 333.476 3.252 20 10 EGCDMO C[NH+](C)[C@H]1CCCC[C@@H]1NCc1c(O)cccc1Br ZINC001348085733 1391171288 /nfs/dbraw/zinc/17/12/88/1391171288.db2.gz KDBFJSOMLYZGHX-KBPBESRZSA-N 1 1 327.266 3.117 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC001351331227 1391628046 /nfs/dbraw/zinc/62/80/46/1391628046.db2.gz PVVBHTUYSHGUHX-MRXNPFEDSA-N 1 1 333.476 3.154 20 10 EGCDMO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001575512757 949143473 /nfs/dbraw/zinc/14/34/73/949143473.db2.gz PAKLZAHLJUUPOV-JTQLQIEISA-N 1 1 345.353 3.044 20 10 EGCDMO C[C@@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001575512757 949143481 /nfs/dbraw/zinc/14/34/81/949143481.db2.gz PAKLZAHLJUUPOV-JTQLQIEISA-N 1 1 345.353 3.044 20 10 EGCDMO COc1cccc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000529641113 313376186 /nfs/dbraw/zinc/37/61/86/313376186.db2.gz JFMRLVBSYYEYLL-UHFFFAOYSA-N 1 1 327.428 3.047 20 10 EGCDMO COc1cccc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000529641113 313376191 /nfs/dbraw/zinc/37/61/91/313376191.db2.gz JFMRLVBSYYEYLL-UHFFFAOYSA-N 1 1 327.428 3.047 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Cl)c3)CC2)cc1 ZINC000025571726 453778743 /nfs/dbraw/zinc/77/87/43/453778743.db2.gz FQSUPHIWRQXYKD-LJQANCHMSA-N 1 1 346.858 3.204 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000066703851 453863944 /nfs/dbraw/zinc/86/39/44/453863944.db2.gz OBSZIFHSVJVRKS-KRWDZBQOSA-N 1 1 347.503 3.434 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CCCN(Cc2cscn2)CC1 ZINC000131078029 454234199 /nfs/dbraw/zinc/23/41/99/454234199.db2.gz LSBWPRLGPVKWOU-UHFFFAOYSA-N 1 1 337.876 3.210 20 10 EGCDMO CCOc1cccc(CNc2ccc(C[NH+]3CCOCC3)cc2)c1O ZINC000120702762 454335849 /nfs/dbraw/zinc/33/58/49/454335849.db2.gz ATHUGGJWTNSKII-UHFFFAOYSA-N 1 1 342.439 3.235 20 10 EGCDMO Cc1[nH]ccc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134267338 454521934 /nfs/dbraw/zinc/52/19/34/454521934.db2.gz ICJFRGOPASBEHG-OAHLLOKOSA-N 1 1 347.846 3.077 20 10 EGCDMO C[C@H]([C@@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420544 454714608 /nfs/dbraw/zinc/71/46/08/454714608.db2.gz PWJPEJVRQIEQEL-HUUCEWRRSA-N 1 1 347.480 3.313 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](COCCOC)C2)cc1F ZINC000093754679 454731912 /nfs/dbraw/zinc/73/19/12/454731912.db2.gz HSSBNMBFNVUEEE-QGZVFWFLSA-N 1 1 338.467 3.157 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000141394435 454828668 /nfs/dbraw/zinc/82/86/68/454828668.db2.gz DQTXAYHTJAILQI-INIZCTEOSA-N 1 1 343.496 3.466 20 10 EGCDMO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109773541 454837546 /nfs/dbraw/zinc/83/75/46/454837546.db2.gz IKRXHIVUDGIFRD-CYBMUJFWSA-N 1 1 326.396 3.054 20 10 EGCDMO CC(=O)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109773541 454837551 /nfs/dbraw/zinc/83/75/51/454837551.db2.gz IKRXHIVUDGIFRD-CYBMUJFWSA-N 1 1 326.396 3.054 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)c1 ZINC000180414914 455165578 /nfs/dbraw/zinc/16/55/78/455165578.db2.gz IUQPXHUKUXNSAZ-FQEVSTJZSA-N 1 1 325.408 3.075 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)c1ccccc1Br ZINC000157249699 455176409 /nfs/dbraw/zinc/17/64/09/455176409.db2.gz NOTDJXONJXPRMD-INIZCTEOSA-N 1 1 336.229 3.320 20 10 EGCDMO CC[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC000157535986 455204985 /nfs/dbraw/zinc/20/49/85/455204985.db2.gz XRPXPHQETDWKIR-QGZVFWFLSA-N 1 1 327.476 3.311 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccccn3)cc2F)CC1 ZINC000159054114 455347868 /nfs/dbraw/zinc/34/78/68/455347868.db2.gz MRRDRWQLMNZESG-MRXNPFEDSA-N 1 1 342.462 3.213 20 10 EGCDMO COc1cccc(C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)c1O ZINC000184786534 455448042 /nfs/dbraw/zinc/44/80/42/455448042.db2.gz GMNUNYNTDDNKGO-GOSISDBHSA-N 1 1 327.424 3.174 20 10 EGCDMO C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000185414743 455556846 /nfs/dbraw/zinc/55/68/46/455556846.db2.gz XJEMWMYTTDBHQA-SJLPKXTDSA-N 1 1 342.483 3.433 20 10 EGCDMO C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2ccccc2c1[O-] ZINC000185414743 455556848 /nfs/dbraw/zinc/55/68/48/455556848.db2.gz XJEMWMYTTDBHQA-SJLPKXTDSA-N 1 1 342.483 3.433 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@](=O)C1 ZINC000277569228 455601088 /nfs/dbraw/zinc/60/10/88/455601088.db2.gz SMLLWYOSWKZCJL-CMJOXMDJSA-N 1 1 329.465 3.260 20 10 EGCDMO C[C@@]12CC[N@@H+](Cc3cc4c(cc3O)OCO4)C[C@@H]1C2(Cl)Cl ZINC000284544189 455704040 /nfs/dbraw/zinc/70/40/40/455704040.db2.gz VRQCNINALBQDMH-UONOGXRCSA-N 1 1 330.211 3.137 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1[O-] ZINC000186197212 455713960 /nfs/dbraw/zinc/71/39/60/455713960.db2.gz QEEJOESKIXVQCW-CYBMUJFWSA-N 1 1 349.862 3.232 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000193013425 455735243 /nfs/dbraw/zinc/73/52/43/455735243.db2.gz NJYLPSHTSVUESB-BDAKNGLRSA-N 1 1 329.227 3.113 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470167 455787690 /nfs/dbraw/zinc/78/76/90/455787690.db2.gz DZRCWKULTCUHRW-CABCVRRESA-N 1 1 330.394 3.054 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024911 455802725 /nfs/dbraw/zinc/80/27/25/455802725.db2.gz HREDDSVTAQJTGX-GDBMZVCRSA-N 1 1 330.394 3.196 20 10 EGCDMO Cc1nc(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n[nH]1 ZINC000294072607 455805153 /nfs/dbraw/zinc/80/51/53/455805153.db2.gz HWGRFFACPVJPHH-SFHVURJKSA-N 1 1 336.439 3.325 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285305951 455822014 /nfs/dbraw/zinc/82/20/14/455822014.db2.gz WDWBSIJVWCTYPP-HIFRSBDPSA-N 1 1 326.234 3.298 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294772722 455827934 /nfs/dbraw/zinc/82/79/34/455827934.db2.gz KGYBOFVXKSYBKC-ZIAGYGMSSA-N 1 1 334.460 3.075 20 10 EGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000295011738 455835351 /nfs/dbraw/zinc/83/53/51/455835351.db2.gz MCOPPYLXQFBBPM-VIFPVBQESA-N 1 1 327.306 3.060 20 10 EGCDMO CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583043 455854137 /nfs/dbraw/zinc/85/41/37/455854137.db2.gz SFBZFZXNQVCKIQ-SJLPKXTDSA-N 1 1 332.488 3.301 20 10 EGCDMO CC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000296507061 455958209 /nfs/dbraw/zinc/95/82/09/455958209.db2.gz LUZHZUITKDGLHA-UHFFFAOYSA-N 1 1 338.451 3.358 20 10 EGCDMO CC[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000286020199 455962369 /nfs/dbraw/zinc/96/23/69/455962369.db2.gz IQGZAQBTGCJLKO-NJAFHUGGSA-N 1 1 333.403 3.057 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)cc1 ZINC000296692378 456011851 /nfs/dbraw/zinc/01/18/51/456011851.db2.gz HPWCJHVPUQCPPU-IBGZPJMESA-N 1 1 343.496 3.082 20 10 EGCDMO CC[C@H]([NH2+]CCNC(=O)c1ccccc1F)c1ccc(F)cc1O ZINC000286307732 456020025 /nfs/dbraw/zinc/02/00/25/456020025.db2.gz WYYDGQPKOAVKLL-INIZCTEOSA-N 1 1 334.366 3.141 20 10 EGCDMO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603340 456073066 /nfs/dbraw/zinc/07/30/66/456073066.db2.gz ISWKZGAGQPDCAG-WMLDXEAASA-N 1 1 340.895 3.323 20 10 EGCDMO CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603336 456073974 /nfs/dbraw/zinc/07/39/74/456073974.db2.gz ISWKZGAGQPDCAG-RHSMWYFYSA-N 1 1 340.895 3.323 20 10 EGCDMO COc1ccc(CNCc2ccncc2OCCC[NH+](C)C)cc1C ZINC000288705937 456103273 /nfs/dbraw/zinc/10/32/73/456103273.db2.gz YYFMBEDXSRRQQP-UHFFFAOYSA-N 1 1 343.471 3.019 20 10 EGCDMO OCCC[N@@H+](Cc1ccc(N2CCCCC2)cc1)Cc1ccccn1 ZINC000289492694 456127227 /nfs/dbraw/zinc/12/72/27/456127227.db2.gz RVDPHNAWKDHXLB-UHFFFAOYSA-N 1 1 339.483 3.457 20 10 EGCDMO Cc1c[nH]nc1C[NH2+][C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000289521946 456128760 /nfs/dbraw/zinc/12/87/60/456128760.db2.gz NVIZREIVSUXJAM-ZDUSSCGKSA-N 1 1 336.386 3.078 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(OC)ccc2OC)c1 ZINC000273361272 456224998 /nfs/dbraw/zinc/22/49/98/456224998.db2.gz DASFAOLHVWIFKS-GFCCVEGCSA-N 1 1 345.395 3.047 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000273365384 456225259 /nfs/dbraw/zinc/22/52/59/456225259.db2.gz BEPJTJYOEXYWSX-ZDUSSCGKSA-N 1 1 329.396 3.347 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)cc2OC)c1 ZINC000273585210 456238572 /nfs/dbraw/zinc/23/85/72/456238572.db2.gz NQINPSDQRQGTGS-ZDUSSCGKSA-N 1 1 329.396 3.347 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c1O ZINC000290190977 456263239 /nfs/dbraw/zinc/26/32/39/456263239.db2.gz ORVYLFACSJKSJI-HXUWFJFHSA-N 1 1 329.415 3.267 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@](C)(O)c2ccccc2)c1 ZINC000275143879 456270828 /nfs/dbraw/zinc/27/08/28/456270828.db2.gz SQMQDJZJHMTKGS-JLTOFOAXSA-N 1 1 343.423 3.127 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2COc3ccccc32)c1 ZINC000290325357 456292184 /nfs/dbraw/zinc/29/21/84/456292184.db2.gz OOBSWMXHSOVKRZ-JSGCOSHPSA-N 1 1 327.380 3.006 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1nccs1 ZINC000282452335 456519058 /nfs/dbraw/zinc/51/90/58/456519058.db2.gz LWOBSXZHIZZPSW-ZDUSSCGKSA-N 1 1 333.457 3.478 20 10 EGCDMO CCC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccccc1O ZINC000299674980 456760813 /nfs/dbraw/zinc/76/08/13/456760813.db2.gz TUMNOLBPIXEHLN-UHFFFAOYSA-N 1 1 328.412 3.252 20 10 EGCDMO Cc1cc[nH]c1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373898431 457390171 /nfs/dbraw/zinc/39/01/71/457390171.db2.gz FSSDQOUIORCYJA-OAHLLOKOSA-N 1 1 347.846 3.077 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)cc1 ZINC000363880745 457460230 /nfs/dbraw/zinc/46/02/30/457460230.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCCN(CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000363880745 457460247 /nfs/dbraw/zinc/46/02/47/457460247.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCCN(CC[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000363880745 457460254 /nfs/dbraw/zinc/46/02/54/457460254.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCC[N@H+](CC[C@H]3CCCCN3C)CC2)cc1 ZINC000363880745 457460263 /nfs/dbraw/zinc/46/02/63/457460263.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CC[C@H]3CCCCN3C)CC2)cc1 ZINC000363880745 457460269 /nfs/dbraw/zinc/46/02/69/457460269.db2.gz XZTXAKDOTMCXQY-GOSISDBHSA-N 1 1 331.504 3.082 20 10 EGCDMO COc1ccc(O)c(C[NH2+]C[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000374176582 457509839 /nfs/dbraw/zinc/50/98/39/457509839.db2.gz MOQFXHIERMKZTG-NRFANRHFSA-N 1 1 340.467 3.403 20 10 EGCDMO C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000368947999 458066539 /nfs/dbraw/zinc/06/65/39/458066539.db2.gz ABOKKSBHGBHPCI-UHFFFAOYSA-N 1 1 339.823 3.014 20 10 EGCDMO CCc1nc(N2CCCN(c3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000376112896 458200669 /nfs/dbraw/zinc/20/06/69/458200669.db2.gz IZWWAYXIPNVJCU-UHFFFAOYSA-N 1 1 326.444 3.073 20 10 EGCDMO CC[N@@H+](CCNC(=O)NCc1c(C)c2ccccc2n1C)C(C)C ZINC000471817581 458736249 /nfs/dbraw/zinc/73/62/49/458736249.db2.gz VCKZRJNMEJCJNR-UHFFFAOYSA-N 1 1 330.476 3.016 20 10 EGCDMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237804 574546783 /nfs/dbraw/zinc/54/67/83/574546783.db2.gz MVWMLQZOSJLECS-QAPCUYQASA-N 1 1 339.439 3.027 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000731024962 575045365 /nfs/dbraw/zinc/04/53/65/575045365.db2.gz GOYQIBUPIQKSAT-SFHVURJKSA-N 1 1 339.483 3.474 20 10 EGCDMO CCCCn1nnnc1C[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847794 575212369 /nfs/dbraw/zinc/21/23/69/575212369.db2.gz OMOCEXDUALMSBB-UHFFFAOYSA-N 1 1 329.448 3.124 20 10 EGCDMO CCCCn1nnnc1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000731847794 575212371 /nfs/dbraw/zinc/21/23/71/575212371.db2.gz OMOCEXDUALMSBB-UHFFFAOYSA-N 1 1 329.448 3.124 20 10 EGCDMO Cc1cc(NC(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)no1 ZINC000731848396 575212458 /nfs/dbraw/zinc/21/24/58/575212458.db2.gz XUDWJFFCDNFHDC-UHFFFAOYSA-N 1 1 329.400 3.072 20 10 EGCDMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000732278703 575253849 /nfs/dbraw/zinc/25/38/49/575253849.db2.gz SJAWSROTZQNNBS-OAHLLOKOSA-N 1 1 330.453 3.096 20 10 EGCDMO CC[N@@H+](C)[C@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000733972779 575419610 /nfs/dbraw/zinc/41/96/10/575419610.db2.gz LRBMBXYZYFHCJX-HNNXBMFYSA-N 1 1 349.525 3.435 20 10 EGCDMO Cc1ccc(F)c(N2CCC[C@H]([N@@H+](C)Cc3ccccc3O)C2=O)c1 ZINC000735670812 575697795 /nfs/dbraw/zinc/69/77/95/575697795.db2.gz UHDCUMICBISUKE-KRWDZBQOSA-N 1 1 342.414 3.467 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COc1cccc(C)c1 ZINC000743869854 576817875 /nfs/dbraw/zinc/81/78/75/576817875.db2.gz CNWIYXAULUGTQJ-SFHVURJKSA-N 1 1 329.440 3.353 20 10 EGCDMO C[C@H]1CC[N@H+](CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000744450339 576828807 /nfs/dbraw/zinc/82/88/07/576828807.db2.gz RNMWPHWGOHELQQ-INIZCTEOSA-N 1 1 346.475 3.017 20 10 EGCDMO C[C@H]1CC[N@@H+](CCNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000744450339 576828808 /nfs/dbraw/zinc/82/88/08/576828808.db2.gz RNMWPHWGOHELQQ-INIZCTEOSA-N 1 1 346.475 3.017 20 10 EGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)ccc3ccc(OC)cc32)C1 ZINC000006999416 1291055625 /nfs/dbraw/zinc/05/56/25/1291055625.db2.gz YNISMBAWYROXSE-OAHLLOKOSA-N 1 1 343.423 3.329 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000024980208 1291252262 /nfs/dbraw/zinc/25/22/62/1291252262.db2.gz JWLJDWHCEHMATE-UHFFFAOYSA-N 1 1 339.399 3.100 20 10 EGCDMO Cn1cc(CCC[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000054316043 1291749664 /nfs/dbraw/zinc/74/96/64/1291749664.db2.gz HWPZZZLCKIQMTP-UHFFFAOYSA-N 1 1 326.488 3.475 20 10 EGCDMO Cc1cc(C[N@H+]2CCO[C@H]([C@@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037016 1292421388 /nfs/dbraw/zinc/42/13/88/1292421388.db2.gz RUBGVTBVZZAWKE-SFTDATJTSA-N 1 1 344.499 3.365 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987855 1292525225 /nfs/dbraw/zinc/52/52/25/1292525225.db2.gz MNRQTTDFTDZIDD-BEFAXECRSA-N 1 1 329.488 3.071 20 10 EGCDMO Cc1cc(C[N@H+](C)[C@H](CO)COC(C)C)ccc1N1CCCCC1 ZINC000829233698 1292556096 /nfs/dbraw/zinc/55/60/96/1292556096.db2.gz DVOVPSFBIGYMOW-LJQANCHMSA-N 1 1 334.504 3.203 20 10 EGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000091964062 1292852017 /nfs/dbraw/zinc/85/20/17/1292852017.db2.gz BPRVAVKWNFTJOK-CQSZACIVSA-N 1 1 328.250 3.402 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000092784388 1292889431 /nfs/dbraw/zinc/88/94/31/1292889431.db2.gz CEHKWVOFTGECSZ-LJQANCHMSA-N 1 1 338.451 3.485 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](CC(N)=O)Cc2ccccc2)cc1 ZINC000093358661 1292919033 /nfs/dbraw/zinc/91/90/33/1292919033.db2.gz HMUFGIUWWIHHQS-UHFFFAOYSA-N 1 1 325.456 3.020 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CC(N)=O)Cc2ccccc2)cc1 ZINC000093358661 1292919041 /nfs/dbraw/zinc/91/90/41/1292919041.db2.gz HMUFGIUWWIHHQS-UHFFFAOYSA-N 1 1 325.456 3.020 20 10 EGCDMO COC1CCN(c2ccc(CN(C)[C@@H]3CC[N@H+](C(C)C)C3)cc2)CC1 ZINC000832783227 1293044927 /nfs/dbraw/zinc/04/49/27/1293044927.db2.gz PJJZPUBWRFQFSK-HXUWFJFHSA-N 1 1 345.531 3.216 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+](C)[C@@H]3CCN(C(C)C)C3)cc2)CC1 ZINC000832783227 1293044937 /nfs/dbraw/zinc/04/49/37/1293044937.db2.gz PJJZPUBWRFQFSK-HXUWFJFHSA-N 1 1 345.531 3.216 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)[C@@H]3CCN(C(C)C)C3)cc2)CC1 ZINC000832783227 1293044947 /nfs/dbraw/zinc/04/49/47/1293044947.db2.gz PJJZPUBWRFQFSK-HXUWFJFHSA-N 1 1 345.531 3.216 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000108343864 1293080097 /nfs/dbraw/zinc/08/00/97/1293080097.db2.gz XZWVIQCAFPVDDJ-QGZVFWFLSA-N 1 1 325.456 3.166 20 10 EGCDMO C[C@H]([NH2+][C@@H]1C[C@@H](C)n2ccnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000834895932 1293167644 /nfs/dbraw/zinc/16/76/44/1293167644.db2.gz FLFAKLQHXMFUER-JKIFEVAISA-N 1 1 344.434 3.215 20 10 EGCDMO CC(C)(C)c1cc(C[NH2+]CCc2nc[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000119180649 1293258317 /nfs/dbraw/zinc/25/83/17/1293258317.db2.gz BCYYFYQYVWPRKP-UHFFFAOYSA-N 1 1 330.476 3.438 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCN(C(=O)C(C)C)CC2)cc1F ZINC000123554886 1293447736 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/nfs/dbraw/zinc/96/58/93/1309965893.db2.gz AQQRQBXPOFKINB-KRWDZBQOSA-N 1 1 339.483 3.303 20 10 EGCDMO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(F)cc1O ZINC000796799437 1310089244 /nfs/dbraw/zinc/08/92/44/1310089244.db2.gz UKCHELOKCZWSDG-BZSNNMDCSA-N 1 1 336.451 3.215 20 10 EGCDMO CC(C)(C)OC(=O)NCC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000896984828 1310119983 /nfs/dbraw/zinc/11/99/83/1310119983.db2.gz NKBSEUAYPANYCJ-CYBMUJFWSA-N 1 1 338.423 3.268 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCC34CCC4)cc2F)CC1 ZINC000800477697 1310766854 /nfs/dbraw/zinc/76/68/54/1310766854.db2.gz CDINUNZGTBZIKH-IBGZPJMESA-N 1 1 331.479 3.390 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000800538349 1310780192 /nfs/dbraw/zinc/78/01/92/1310780192.db2.gz PDPQGFRIWGFZPH-UHFFFAOYSA-N 1 1 326.234 3.218 20 10 EGCDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858091745 1328679489 /nfs/dbraw/zinc/67/94/89/1328679489.db2.gz DTRJQFMFKCALLW-UHFFFAOYSA-N 1 1 347.409 3.022 20 10 EGCDMO C/C(Cl)=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127167 1317385897 /nfs/dbraw/zinc/38/58/97/1317385897.db2.gz JUWHKUCDCSTQAM-DPQIITEBSA-N 1 1 343.254 3.269 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)cc(C)n3)CC2)cc1F ZINC000929820755 1328711025 /nfs/dbraw/zinc/71/10/25/1328711025.db2.gz HQBVKULBUSAQPC-UHFFFAOYSA-N 1 1 329.419 3.168 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000808210154 1317644933 /nfs/dbraw/zinc/64/49/33/1317644933.db2.gz RMQMCVDBMPQAAD-MRXNPFEDSA-N 1 1 344.499 3.442 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)cc1C(C)C ZINC000808206990 1317645479 /nfs/dbraw/zinc/64/54/79/1317645479.db2.gz NUSWRDXSUNVPMD-INIZCTEOSA-N 1 1 330.472 3.268 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903334469 1317688537 /nfs/dbraw/zinc/68/85/37/1317688537.db2.gz AFVSRPSBTVTKRM-XIKOKIGWSA-N 1 1 326.396 3.376 20 10 EGCDMO CN(C)c1ccc([C@@H](C[NH2+][C@@H]2CCCc3scnc32)N(C)C)cc1 ZINC000903448405 1317701878 /nfs/dbraw/zinc/70/18/78/1317701878.db2.gz OOMZQJQDBQPSQT-IAGOWNOFSA-N 1 1 344.528 3.479 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21)c1ccc(F)cc1O ZINC000808723988 1317723003 /nfs/dbraw/zinc/72/30/03/1317723003.db2.gz RLXYZZHKINHUKP-XFKAJCMBSA-N 1 1 334.435 3.219 20 10 EGCDMO OC[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809539323 1317826860 /nfs/dbraw/zinc/82/68/60/1317826860.db2.gz PYDDYWYWHJNCSF-HXUWFJFHSA-N 1 1 336.479 3.454 20 10 EGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697492 1317865757 /nfs/dbraw/zinc/86/57/57/1317865757.db2.gz HWWITKSXIRVOEE-PSASIEDQSA-N 1 1 341.732 3.177 20 10 EGCDMO C[C@H]1C[C@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1O ZINC000809703356 1317869497 /nfs/dbraw/zinc/86/94/97/1317869497.db2.gz JJNGGTZFGUETAX-JSGCOSHPSA-N 1 1 339.277 3.213 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c(O)c1 ZINC000809705502 1317869838 /nfs/dbraw/zinc/86/98/38/1317869838.db2.gz UVELHPNFVSVKON-HNNXBMFYSA-N 1 1 333.350 3.070 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1 ZINC000809756100 1317891318 /nfs/dbraw/zinc/89/13/18/1317891318.db2.gz DCNZDNWNGWPTCA-UHFFFAOYSA-N 1 1 325.447 3.306 20 10 EGCDMO CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000809779696 1317899100 /nfs/dbraw/zinc/89/91/00/1317899100.db2.gz WKMJCYNSKMVHLT-LJQANCHMSA-N 1 1 345.487 3.387 20 10 EGCDMO COCC1(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCCCC1 ZINC000810178293 1317969293 /nfs/dbraw/zinc/96/92/93/1317969293.db2.gz RAAPOFQKDBAWPC-UHFFFAOYSA-N 1 1 345.531 3.125 20 10 EGCDMO CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1ccc(C(F)(F)F)cc1O ZINC000810236063 1317983120 /nfs/dbraw/zinc/98/31/20/1317983120.db2.gz YBHLJKRHAYTAKM-GFCCVEGCSA-N 1 1 328.338 3.121 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c1 ZINC000811511879 1318190427 /nfs/dbraw/zinc/19/04/27/1318190427.db2.gz WWIICHQOPBNCQW-INIZCTEOSA-N 1 1 348.443 3.034 20 10 EGCDMO COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000814171118 1318687029 /nfs/dbraw/zinc/68/70/29/1318687029.db2.gz HOIUAYRYTMBHLW-LJQANCHMSA-N 1 1 345.826 3.362 20 10 EGCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815116331 1318897834 /nfs/dbraw/zinc/89/78/34/1318897834.db2.gz JIMIIKMTKLSMIE-KRWDZBQOSA-N 1 1 333.476 3.162 20 10 EGCDMO Cc1cc(C[N@@H+]2CCCC[C@@H]2COC(=O)N(C)C)ccc1N(C)C ZINC000815117627 1318898413 /nfs/dbraw/zinc/89/84/13/1318898413.db2.gz SEIBWWMDIKRXTO-QGZVFWFLSA-N 1 1 333.476 3.114 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1O ZINC000815618204 1319028461 /nfs/dbraw/zinc/02/84/61/1319028461.db2.gz GSYAZWCVDKZOFL-WDEREUQCSA-N 1 1 325.334 3.273 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521785 1319174941 /nfs/dbraw/zinc/17/49/41/1319174941.db2.gz YPMAIRGXWPHJIO-RLLQIKCJSA-N 1 1 340.467 3.229 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521785 1319174943 /nfs/dbraw/zinc/17/49/43/1319174943.db2.gz YPMAIRGXWPHJIO-RLLQIKCJSA-N 1 1 340.467 3.229 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000816557291 1319181801 /nfs/dbraw/zinc/18/18/01/1319181801.db2.gz KUMUHECJKAFKQZ-LBPRGKRZSA-N 1 1 329.799 3.003 20 10 EGCDMO CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@H]1CCC[N@H+]1C ZINC000817417031 1319355529 /nfs/dbraw/zinc/35/55/29/1319355529.db2.gz BHTQKOIYGBUBFB-QGZVFWFLSA-N 1 1 346.475 3.111 20 10 EGCDMO OCC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000817419258 1319357330 /nfs/dbraw/zinc/35/73/30/1319357330.db2.gz RZKGQFFYPCWLQU-GFCCVEGCSA-N 1 1 328.250 3.139 20 10 EGCDMO COc1cccc2c1CC[C@@H]2NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817938759 1319466629 /nfs/dbraw/zinc/46/66/29/1319466629.db2.gz RPDBQDFNZXIEQK-OALUTQOASA-N 1 1 325.456 3.038 20 10 EGCDMO C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000818351337 1319533465 /nfs/dbraw/zinc/53/34/65/1319533465.db2.gz QYLATRRERYETES-VIFPVBQESA-N 1 1 340.272 3.174 20 10 EGCDMO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000917014317 1319739332 /nfs/dbraw/zinc/73/93/32/1319739332.db2.gz RYUQZDVGQAXBMJ-IBGZPJMESA-N 1 1 346.471 3.134 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c(O)c(C(C)(C)C)c1 ZINC000819897507 1319795736 /nfs/dbraw/zinc/79/57/36/1319795736.db2.gz QOYBOTKAIJQZDS-MRXNPFEDSA-N 1 1 328.460 3.427 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000824237664 1320240705 /nfs/dbraw/zinc/24/07/05/1320240705.db2.gz VAPNAYHKDIOMLX-QFBILLFUSA-N 1 1 328.481 3.199 20 10 EGCDMO CC(C)n1cc(C2=CCC[N@@H+](Cc3cc(F)ccc3O)CC2)nn1 ZINC000824739014 1320281746 /nfs/dbraw/zinc/28/17/46/1320281746.db2.gz VBHYDMDVQSJCNB-UHFFFAOYSA-N 1 1 330.407 3.383 20 10 EGCDMO COc1cccc(C[N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)c1O ZINC000824737487 1320281966 /nfs/dbraw/zinc/28/19/66/1320281966.db2.gz AVQZXTVHDLZGPF-UHFFFAOYSA-N 1 1 342.443 3.253 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1O ZINC000825103013 1320310922 /nfs/dbraw/zinc/31/09/22/1320310922.db2.gz AVOSCTVNPVKTGZ-LSDHHAIUSA-N 1 1 325.836 3.444 20 10 EGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1O ZINC000825641526 1320352012 /nfs/dbraw/zinc/35/20/12/1320352012.db2.gz SRCYPRBHUIBGKC-UHIISALHSA-N 1 1 328.250 3.136 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1Cl ZINC000825887589 1320368926 /nfs/dbraw/zinc/36/89/26/1320368926.db2.gz VKWPQUUMMSDMHU-NWDGAFQWSA-N 1 1 337.769 3.347 20 10 EGCDMO COc1c(O)c(C[NH2+]CCc2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000827093299 1320426485 /nfs/dbraw/zinc/42/64/85/1320426485.db2.gz DWSCIXLPUUKZQJ-UHFFFAOYSA-N 1 1 330.384 3.258 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839141566 1320878294 /nfs/dbraw/zinc/87/82/94/1320878294.db2.gz STIPYGMGCYDZAH-UHFFFAOYSA-N 1 1 326.234 3.076 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956297 1321185261 /nfs/dbraw/zinc/18/52/61/1321185261.db2.gz LRWARCMXDUSZSI-JKSUJKDBSA-N 1 1 348.240 3.463 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000840963815 1321188179 /nfs/dbraw/zinc/18/81/79/1321188179.db2.gz NHYIXHDTDBPBKW-UTUOFQBUSA-N 1 1 328.250 3.366 20 10 EGCDMO CC(C)(C)c1cc(C[N@H+]2CC[C@H](O)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000840976429 1321192467 /nfs/dbraw/zinc/19/24/67/1321192467.db2.gz WCMRODGKURJZIW-YJBOKZPZSA-N 1 1 349.515 3.162 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1O ZINC000840978986 1321193659 /nfs/dbraw/zinc/19/36/59/1321193659.db2.gz QTCCCVLOASRXIO-RYUDHWBXSA-N 1 1 328.250 3.056 20 10 EGCDMO Nc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000841300526 1321249884 /nfs/dbraw/zinc/24/98/84/1321249884.db2.gz REEZBXNVGFLQTG-GOSISDBHSA-N 1 1 330.476 3.435 20 10 EGCDMO COc1ccc([C@H](CO)C[NH2+][C@@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841758629 1321308199 /nfs/dbraw/zinc/30/81/99/1321308199.db2.gz UJQJNNRNXUBDIU-JSGCOSHPSA-N 1 1 335.831 3.481 20 10 EGCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841806110 1321316093 /nfs/dbraw/zinc/31/60/93/1321316093.db2.gz UWXYJUDXQKAWHB-INIZCTEOSA-N 1 1 346.519 3.011 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 ZINC000842634683 1321410379 /nfs/dbraw/zinc/41/03/79/1321410379.db2.gz IAAYHLJUIUSMDI-GOSISDBHSA-N 1 1 338.451 3.147 20 10 EGCDMO Nc1ccc(Cc2noc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)cc1 ZINC000843162307 1321481095 /nfs/dbraw/zinc/48/10/95/1321481095.db2.gz VYRZQUCUNLLRTP-QGZVFWFLSA-N 1 1 349.438 3.017 20 10 EGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000844399436 1321600834 /nfs/dbraw/zinc/60/08/34/1321600834.db2.gz JDNFYPAUXKKQOH-UHFFFAOYSA-N 1 1 329.444 3.130 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2noc3c2CCCC3)cc1 ZINC000844399436 1321600840 /nfs/dbraw/zinc/60/08/40/1321600840.db2.gz JDNFYPAUXKKQOH-UHFFFAOYSA-N 1 1 329.444 3.130 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2cn(C(C)C)nc2C)cc1 ZINC000846051020 1321764134 /nfs/dbraw/zinc/76/41/34/1321764134.db2.gz APQFGPBFOUNNRX-UHFFFAOYSA-N 1 1 330.476 3.349 20 10 EGCDMO CC[N@@H+](CCCNC(=O)/C=C/c1ccc(O)c(O)c1)C1CCCCC1 ZINC000846369420 1321785704 /nfs/dbraw/zinc/78/57/04/1321785704.db2.gz PBALZWWZNPLXOI-ZRDIBKRKSA-N 1 1 346.471 3.272 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000847570233 1321880407 /nfs/dbraw/zinc/88/04/07/1321880407.db2.gz NGXVBWWXINURJJ-QGZVFWFLSA-N 1 1 332.831 3.307 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Cl)c(Cl)cc1O ZINC000848564886 1321976914 /nfs/dbraw/zinc/97/69/14/1321976914.db2.gz RFXHNDPULFRPGN-RKDXNWHRSA-N 1 1 341.242 3.036 20 10 EGCDMO CCc1cccc(C[N@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000848883918 1322028966 /nfs/dbraw/zinc/02/89/66/1322028966.db2.gz URXLQUFJIDUNHG-TXPKVOOTSA-N 1 1 332.488 3.028 20 10 EGCDMO CC[C@@H]([NH2+]CC(C)(C)[C@]1(O)CCCOC1)c1ccc(F)cc1O ZINC000850561348 1322268919 /nfs/dbraw/zinc/26/89/19/1322268919.db2.gz JBIXXEKPKVLMBU-QAPCUYQASA-N 1 1 325.424 3.140 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](C)[C@H]3CCO)cc2)CC1 ZINC000852460234 1323195061 /nfs/dbraw/zinc/19/50/61/1323195061.db2.gz BCAHGUZSCSMXJE-DYESRHJHSA-N 1 1 346.515 3.285 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CNCC[C@@H]1c1cccc(F)c1)c1cc(F)ccc1O ZINC000854221830 1325229821 /nfs/dbraw/zinc/22/98/21/1325229821.db2.gz ASXZXWSHHNICBC-BJOOFOGMSA-N 1 1 332.394 3.467 20 10 EGCDMO C[N@@H+](Cc1c(O)cccc1Br)[C@H](CO)c1ccccc1 ZINC000862384312 1329480836 /nfs/dbraw/zinc/48/08/36/1329480836.db2.gz UZIHWRHPODMIPT-OAHLLOKOSA-N 1 1 336.229 3.320 20 10 EGCDMO CCOc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)OC)C2)c(O)c1 ZINC000862536926 1329493919 /nfs/dbraw/zinc/49/39/19/1329493919.db2.gz OKHOHGWTMKSQQX-GOSISDBHSA-N 1 1 341.407 3.063 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000862540844 1329494122 /nfs/dbraw/zinc/49/41/22/1329494122.db2.gz KZFLRSAQEKMSFC-ZDUSSCGKSA-N 1 1 338.448 3.136 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)c2cccc([C@H]3CCC[N@H+](C)C3)c2)c1 ZINC000863937064 1329589858 /nfs/dbraw/zinc/58/98/58/1329589858.db2.gz JIWDPIMMUBJPQL-SFHVURJKSA-N 1 1 338.451 3.440 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+]3CCn4cccc4C3)cc2)CC1 ZINC000932523919 1329820095 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CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001089734849 1360639428 /nfs/dbraw/zinc/63/94/28/1360639428.db2.gz YYSHEGMQWNOJFY-HNNXBMFYSA-N 1 1 345.447 3.089 20 10 EGCDMO CC/C(C)=C/C(=O)NCCC1=CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC001089830733 1360684880 /nfs/dbraw/zinc/68/48/80/1360684880.db2.gz JDBXFFOZRJXOOP-WYMLVPIESA-N 1 1 328.460 3.093 20 10 EGCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H](C)CC(C)C)CC2)nc(C)[nH+]1 ZINC001089840432 1360690540 /nfs/dbraw/zinc/69/05/40/1360690540.db2.gz QHWOKTCQXAWISE-OAHLLOKOSA-N 1 1 344.503 3.418 20 10 EGCDMO Cc1cc(N2CC=C(CCNC(=O)C(C)(C)C(C)C)CC2)nc(C)[nH+]1 ZINC001089844157 1360693787 /nfs/dbraw/zinc/69/37/87/1360693787.db2.gz VUPRNZZHKIHXQQ-UHFFFAOYSA-N 1 1 344.503 3.418 20 10 EGCDMO CCc1nc(N2CC=C(CCNC(=O)C[C@@H]3C[C@@H]3C)CC2)cc(C)[nH+]1 ZINC001089859860 1360704245 /nfs/dbraw/zinc/70/42/45/1360704245.db2.gz SPBNCTCGYLYHHQ-YOEHRIQHSA-N 1 1 342.487 3.036 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1C(=O)OC(C)(C)C ZINC001191617941 1367544903 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CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000367538557 457961013 /nfs/dbraw/zinc/96/10/13/457961013.db2.gz QFTYUMSKOXCUFZ-ZWKOTPCHSA-N 1 1 342.414 3.373 20 10 EGCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000367721966 457976016 /nfs/dbraw/zinc/97/60/16/457976016.db2.gz ASQJMHPQGMBNKU-IBGZPJMESA-N 1 1 340.471 3.200 20 10 EGCDMO COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1O ZINC000362388939 458145719 /nfs/dbraw/zinc/14/57/19/458145719.db2.gz JMBKYZBMDYTTJI-HKUYNNGSSA-N 1 1 327.424 3.489 20 10 EGCDMO CCCC[N@@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471922254 458751385 /nfs/dbraw/zinc/75/13/85/458751385.db2.gz UZVFLKYJHFFRJB-UHFFFAOYSA-N 1 1 330.476 3.018 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000527467490 459644364 /nfs/dbraw/zinc/64/43/64/459644364.db2.gz JJNPSJYUHCRXJI-INIZCTEOSA-N 1 1 342.487 3.016 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@@H+](CC)C(C)C)cc1 ZINC000726714383 574567637 /nfs/dbraw/zinc/56/76/37/574567637.db2.gz QPDQJUWLIFSWTP-UHFFFAOYSA-N 1 1 348.535 3.405 20 10 EGCDMO CN(C)c1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000732257786 575253569 /nfs/dbraw/zinc/25/35/69/575253569.db2.gz BSOFFDPIRLCGKB-GOSISDBHSA-N 1 1 345.874 3.325 20 10 EGCDMO C[C@@H]1[C@@H](C)[S@@](=O)CC[N@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000736591823 575988021 /nfs/dbraw/zinc/98/80/21/575988021.db2.gz BAKNQDHKOXVYBC-FPJCUDJDSA-N 1 1 347.480 3.359 20 10 EGCDMO Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756507611 576151338 /nfs/dbraw/zinc/15/13/38/576151338.db2.gz DEPJGOICZMMVQU-VIFPVBQESA-N 1 1 342.212 3.150 20 10 EGCDMO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=CC(=O)CS1 ZINC000740939846 576638358 /nfs/dbraw/zinc/63/83/58/576638358.db2.gz LURMPFODXZUCFU-AWEZNQCLSA-N 1 1 330.453 3.190 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C1=CC(=O)CS1 ZINC000740939846 576638359 /nfs/dbraw/zinc/63/83/59/576638359.db2.gz LURMPFODXZUCFU-AWEZNQCLSA-N 1 1 330.453 3.190 20 10 EGCDMO CCC[C@]1(C)CCC[N@@H+](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000744429092 576828004 /nfs/dbraw/zinc/82/80/04/576828004.db2.gz QBKFVHRYPNXCSR-HXUWFJFHSA-N 1 1 331.504 3.271 20 10 EGCDMO C[N@H+](CCNCc1ccc(Br)cc1O)C1CCCC1 ZINC000691487778 1298133889 /nfs/dbraw/zinc/13/38/89/1298133889.db2.gz JOBOEVSSSPHLIS-UHFFFAOYSA-N 1 1 327.266 3.119 20 10 EGCDMO C[N@@H+](CCNCc1ccc(Br)cc1O)C1CCCC1 ZINC000691487778 1298133895 /nfs/dbraw/zinc/13/38/95/1298133895.db2.gz JOBOEVSSSPHLIS-UHFFFAOYSA-N 1 1 327.266 3.119 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC[C@@H](C)C1 ZINC000877473919 1299325444 /nfs/dbraw/zinc/32/54/44/1299325444.db2.gz NNLGYLVUKCXERG-YLJYHZDGSA-N 1 1 346.515 3.285 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC[C@@H](C)C1 ZINC000877473918 1299326338 /nfs/dbraw/zinc/32/63/38/1299326338.db2.gz NNLGYLVUKCXERG-XLIONFOSSA-N 1 1 346.515 3.285 20 10 EGCDMO Cc1ccc(OCC[N@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000072953294 1292300366 /nfs/dbraw/zinc/30/03/66/1292300366.db2.gz 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EGCDMO CS[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1N1CCCC1 ZINC000815092553 1318888133 /nfs/dbraw/zinc/88/81/33/1318888133.db2.gz KHWSWJYFWJRNGD-RTBURBONSA-N 1 1 333.545 3.073 20 10 EGCDMO CS[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H]1N1CCCC1 ZINC000815092553 1318888137 /nfs/dbraw/zinc/88/81/37/1318888137.db2.gz KHWSWJYFWJRNGD-RTBURBONSA-N 1 1 333.545 3.073 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CO)CC2)c(C)n1-c1ccccc1 ZINC000815279117 1318947755 /nfs/dbraw/zinc/94/77/55/1318947755.db2.gz UQMYULFERKOHTH-SFHVURJKSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CO)CC2)c(C)n1-c1ccccc1 ZINC000815279117 1318947756 /nfs/dbraw/zinc/94/77/56/1318947756.db2.gz UQMYULFERKOHTH-SFHVURJKSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000815297029 1318950861 /nfs/dbraw/zinc/95/08/61/1318950861.db2.gz MGYFMXKOXJKJCF-LJQANCHMSA-N 1 1 340.467 3.432 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000815297029 1318950870 /nfs/dbraw/zinc/95/08/70/1318950870.db2.gz MGYFMXKOXJKJCF-LJQANCHMSA-N 1 1 340.467 3.432 20 10 EGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(O)c1 ZINC000815582088 1319020564 /nfs/dbraw/zinc/02/05/64/1319020564.db2.gz XNOIPOGKCDPQDN-IRXDYDNUSA-N 1 1 332.488 3.161 20 10 EGCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C1CC1 ZINC000815834836 1319061304 /nfs/dbraw/zinc/06/13/04/1319061304.db2.gz BKRFBONDSNIUON-BBWFWOEESA-N 1 1 348.874 3.172 20 10 EGCDMO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cc(Cl)c(F)cc2O)C[C@H](C)O1 ZINC000816531532 1319175935 /nfs/dbraw/zinc/17/59/35/1319175935.db2.gz VIFKBJNYJABBEM-RYUDHWBXSA-N 1 1 344.858 3.162 20 10 EGCDMO COc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1[N+](=O)[O-] ZINC000816542039 1319178837 /nfs/dbraw/zinc/17/88/37/1319178837.db2.gz AWRXGJUIYCGVTD-UHFFFAOYSA-N 1 1 340.738 3.391 20 10 EGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C(=O)N1c1ccccc1 ZINC000816554171 1319181294 /nfs/dbraw/zinc/18/12/94/1319181294.db2.gz 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Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CCCN4C)C2)o1 ZINC001138359164 1377709237 /nfs/dbraw/zinc/70/92/37/1377709237.db2.gz LRIZSQJDOMNRAC-QGZVFWFLSA-N 1 1 326.444 3.140 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@@H](C(=O)OC)CC[C@H]2C)c(OC)c1 ZINC001138389839 1377714278 /nfs/dbraw/zinc/71/42/78/1377714278.db2.gz MRLQPDVNEUBCNQ-WBVHZDCISA-N 1 1 348.487 3.315 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CC)C2CCN(C)CC2)c(OC)c1 ZINC001138389302 1377714344 /nfs/dbraw/zinc/71/43/44/1377714344.db2.gz LZKDCIQGFKFIEE-UHFFFAOYSA-N 1 1 333.520 3.458 20 10 EGCDMO CCN(CC)c1ccc(CN(CC)C2CC[NH+](C)CC2)c(OC)c1 ZINC001138389302 1377714345 /nfs/dbraw/zinc/71/43/45/1377714345.db2.gz LZKDCIQGFKFIEE-UHFFFAOYSA-N 1 1 333.520 3.458 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3c(cc[nH]c3=O)C2)c(OC)c1 ZINC001138392446 1377715549 /nfs/dbraw/zinc/71/55/49/1377715549.db2.gz WQNLLPFQPLOUMJ-UHFFFAOYSA-N 1 1 341.455 3.200 20 10 EGCDMO C[N@@H+](CCC(=O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499094 1377733438 /nfs/dbraw/zinc/73/34/38/1377733438.db2.gz VSTKJLIHTCCSFH-UHFFFAOYSA-N 1 1 338.451 3.228 20 10 EGCDMO C[N@@H+](CCC(=O)c1cccs1)Cc1ccc(N2CCOCC2)cc1 ZINC001138499184 1377733490 /nfs/dbraw/zinc/73/34/90/1377733490.db2.gz CBCUYDFNDZINAF-UHFFFAOYSA-N 1 1 344.480 3.290 20 10 EGCDMO C[N@@H+](Cc1ccccc1O)Cc1cccnc1NC(=O)C(C)(C)C ZINC001138545002 1377740140 /nfs/dbraw/zinc/74/01/40/1377740140.db2.gz ZWGWBESLYPUZOM-UHFFFAOYSA-N 1 1 327.428 3.404 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc(O)cc3OC)CC2)cc1 ZINC001139145119 1377838295 /nfs/dbraw/zinc/83/82/95/1377838295.db2.gz QRIDDIULYOOLQS-UHFFFAOYSA-N 1 1 342.439 3.122 20 10 EGCDMO Cc1cc(C[N@H+]2CCCN(Cc3ccncc3)CC2)ccc1N(C)C ZINC001139669690 1377930484 /nfs/dbraw/zinc/93/04/84/1377930484.db2.gz HLOZLMIZSKEEBJ-UHFFFAOYSA-N 1 1 338.499 3.164 20 10 EGCDMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC001140057690 1377998233 /nfs/dbraw/zinc/99/82/33/1377998233.db2.gz KDBXFMXJWAJAKS-ZDUSSCGKSA-N 1 1 338.423 3.220 20 10 EGCDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(F)ccc1O ZINC001140060137 1377998436 /nfs/dbraw/zinc/99/84/36/1377998436.db2.gz MDNQXMZWTPVWQP-MRXNPFEDSA-N 1 1 341.423 3.102 20 10 EGCDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@@H+]2Cc1cc(F)ccc1O ZINC001140063599 1377999862 /nfs/dbraw/zinc/99/98/62/1377999862.db2.gz TXYVHQSNGFDNPX-HUUCEWRRSA-N 1 1 336.407 3.115 20 10 EGCDMO CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCC[N@H+]2Cc1cc(F)ccc1O ZINC001140063599 1377999863 /nfs/dbraw/zinc/99/98/63/1377999863.db2.gz TXYVHQSNGFDNPX-HUUCEWRRSA-N 1 1 336.407 3.115 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1O ZINC001140179360 1378026230 /nfs/dbraw/zinc/02/62/30/1378026230.db2.gz JCCVSHUQBWIQAI-PXNSSMCTSA-N 1 1 331.456 3.169 20 10 EGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)C[C@H]1c1ccccc1 ZINC001140185212 1378028430 /nfs/dbraw/zinc/02/84/30/1378028430.db2.gz RZNLOYPQUQYANK-RBUKOAKNSA-N 1 1 339.435 3.398 20 10 EGCDMO OC1CCN(c2ccc(C[N@@H+](C3CCC3)C3CCOCC3)cc2)CC1 ZINC001140288880 1378040962 /nfs/dbraw/zinc/04/09/62/1378040962.db2.gz XNIJTFVJFIWHSD-UHFFFAOYSA-N 1 1 344.499 3.181 20 10 EGCDMO CCOC[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)Cc2cn(CC)nc21 ZINC001140340654 1378049119 /nfs/dbraw/zinc/04/91/19/1378049119.db2.gz ZBAJQYHZXHRHDF-AWEZNQCLSA-N 1 1 349.862 3.398 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2c(O)cccc2Cl)Cc2cn(CC)nc21 ZINC001140340654 1378049122 /nfs/dbraw/zinc/04/91/22/1378049122.db2.gz ZBAJQYHZXHRHDF-AWEZNQCLSA-N 1 1 349.862 3.398 20 10 EGCDMO CC(C)(C)OC(=O)N[C@]12C[C@H]1C[N@@H+](Cc1ccc(Cl)cc1O)C2 ZINC001140462224 1378066609 /nfs/dbraw/zinc/06/66/09/1378066609.db2.gz ASMNYZYAUOPUDX-SJCJKPOMSA-N 1 1 338.835 3.145 20 10 EGCDMO Oc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001140462220 1378067324 /nfs/dbraw/zinc/06/73/24/1378067324.db2.gz AQABAINPQRQXFI-CALCHBBNSA-N 1 1 343.858 3.004 20 10 EGCDMO CCOC[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)Cc2cnn(CC)c21 ZINC001140466421 1378068572 /nfs/dbraw/zinc/06/85/72/1378068572.db2.gz DPCWHEUBJWFYQU-OAHLLOKOSA-N 1 1 349.862 3.398 20 10 EGCDMO CCOC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2O)Cc2cnn(CC)c21 ZINC001140466421 1378068575 /nfs/dbraw/zinc/06/85/75/1378068575.db2.gz DPCWHEUBJWFYQU-OAHLLOKOSA-N 1 1 349.862 3.398 20 10 EGCDMO CCCCN1CCC2(CC[NH+](Cc3c(O)cccc3F)CC2)C1=O ZINC001273265491 1378093473 /nfs/dbraw/zinc/09/34/73/1378093473.db2.gz GTRUZMHWORPGPS-UHFFFAOYSA-N 1 1 334.435 3.146 20 10 EGCDMO O=C1N(CC2CCCC2)CC[C@]12CC[N@@H+](Cc1cccc(F)c1O)C2 ZINC001273303410 1378096074 /nfs/dbraw/zinc/09/60/74/1378096074.db2.gz AGZIYWJWCFWJRZ-FQEVSTJZSA-N 1 1 346.446 3.146 20 10 EGCDMO O=C1N(CC2CCCC2)CC[C@]12CC[N@H+](Cc1cccc(F)c1O)C2 ZINC001273303410 1378096075 /nfs/dbraw/zinc/09/60/75/1378096075.db2.gz AGZIYWJWCFWJRZ-FQEVSTJZSA-N 1 1 346.446 3.146 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)c1 ZINC001140622830 1378100277 /nfs/dbraw/zinc/10/02/77/1378100277.db2.gz AUXHYIFYEVLGGL-UHFFFAOYSA-N 1 1 330.472 3.315 20 10 EGCDMO C[N@H+](Cc1cccc(F)c1)Cc1ccc(N2CCOCC2)cc1F ZINC001140660601 1378108195 /nfs/dbraw/zinc/10/81/95/1378108195.db2.gz XNFDOKRFHLJQTA-UHFFFAOYSA-N 1 1 332.394 3.433 20 10 EGCDMO C[N@@H+](Cc1cccc(F)c1)Cc1ccc(N2CCOCC2)cc1F ZINC001140660601 1378108198 /nfs/dbraw/zinc/10/81/98/1378108198.db2.gz XNFDOKRFHLJQTA-UHFFFAOYSA-N 1 1 332.394 3.433 20 10 EGCDMO Cc1c(O)ccc(C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC001140748203 1378128889 /nfs/dbraw/zinc/12/88/89/1378128889.db2.gz UPKZORAWWRNTSX-KRWDZBQOSA-N 1 1 335.350 3.258 20 10 EGCDMO Cc1c(O)ccc(C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)c1O ZINC001140748203 1378128891 /nfs/dbraw/zinc/12/88/91/1378128891.db2.gz UPKZORAWWRNTSX-KRWDZBQOSA-N 1 1 335.350 3.258 20 10 EGCDMO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140749813 1378129720 /nfs/dbraw/zinc/12/97/20/1378129720.db2.gz NQNVNAQIYWSKQV-MRXNPFEDSA-N 1 1 328.412 3.153 20 10 EGCDMO C[N@@H+](Cc1c[nH]c2ccncc12)Cc1ccc(N2CCOCC2)cc1 ZINC001140802721 1378141808 /nfs/dbraw/zinc/14/18/08/1378141808.db2.gz CUVYTTRYYHYDQF-UHFFFAOYSA-N 1 1 336.439 3.032 20 10 EGCDMO C[N@H+](Cc1cnc2cc[nH]cc1-2)Cc1ccc(N2CCOCC2)cc1 ZINC001140802721 1378141812 /nfs/dbraw/zinc/14/18/12/1378141812.db2.gz CUVYTTRYYHYDQF-UHFFFAOYSA-N 1 1 336.439 3.032 20 10 EGCDMO C[N@@H+](Cc1cnc2cc[nH]cc1-2)Cc1ccc(N2CCOCC2)cc1 ZINC001140802721 1378141815 /nfs/dbraw/zinc/14/18/15/1378141815.db2.gz CUVYTTRYYHYDQF-UHFFFAOYSA-N 1 1 336.439 3.032 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@]3(C2)CC(F)(F)CO3)c(O)c1 ZINC001140856289 1378159463 /nfs/dbraw/zinc/15/94/63/1378159463.db2.gz WCDFMMVEBLVPAJ-QGZVFWFLSA-N 1 1 340.414 3.239 20 10 EGCDMO Cc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1 ZINC001140947977 1378188169 /nfs/dbraw/zinc/18/81/69/1378188169.db2.gz ODPFWKQXUUNPCU-OAHLLOKOSA-N 1 1 334.460 3.389 20 10 EGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](c3noc(C(F)(F)F)n3)C2)c(O)c1 ZINC001140949407 1378190454 /nfs/dbraw/zinc/19/04/54/1378190454.db2.gz AZOUSQDSMUNBMQ-GFCCVEGCSA-N 1 1 341.333 3.482 20 10 EGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H]3CC(=O)OC(C)(C)C)ccc21 ZINC001141144474 1378248325 /nfs/dbraw/zinc/24/83/25/1378248325.db2.gz FVUXBHGDLMMZIC-INIZCTEOSA-N 1 1 346.471 3.211 20 10 EGCDMO CN1CCOc2cc(C[N@@H+](Cc3ccccc3)CC(C)(C)O)ccc21 ZINC001141145020 1378248755 /nfs/dbraw/zinc/24/87/55/1378248755.db2.gz OEOULWZKIZVDSF-UHFFFAOYSA-N 1 1 340.467 3.288 20 10 EGCDMO C[C@H]1CCN(Cc2ccccc2)C[C@H]1[N@@H+](C)Cc1cc(O)ccc1O ZINC001141160050 1378254830 /nfs/dbraw/zinc/25/48/30/1378254830.db2.gz QDYFVNFEIBLBCU-OXJNMPFZSA-N 1 1 340.467 3.440 20 10 EGCDMO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1N(C)Cc1cc(O)ccc1O ZINC001141160050 1378254836 /nfs/dbraw/zinc/25/48/36/1378254836.db2.gz QDYFVNFEIBLBCU-OXJNMPFZSA-N 1 1 340.467 3.440 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1N(C)Cc1cc(O)ccc1O ZINC001141160050 1378254840 /nfs/dbraw/zinc/25/48/40/1378254840.db2.gz QDYFVNFEIBLBCU-OXJNMPFZSA-N 1 1 340.467 3.440 20 10 EGCDMO CC(=O)N1CCCC[C@@]12CCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520743 1378452407 /nfs/dbraw/zinc/45/24/07/1378452407.db2.gz OVWVXFQULAGCEF-SFHVURJKSA-N 1 1 338.398 3.037 20 10 EGCDMO CC(=O)N1CCCC[C@@]12CCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142520743 1378452408 /nfs/dbraw/zinc/45/24/08/1378452408.db2.gz OVWVXFQULAGCEF-SFHVURJKSA-N 1 1 338.398 3.037 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1cc2c(cn1)OCCO2 ZINC001143063969 1378532915 /nfs/dbraw/zinc/53/29/15/1378532915.db2.gz KQUBSJVOGOSFFO-UHFFFAOYSA-N 1 1 339.439 3.085 20 10 EGCDMO CC(C)CC(=O)N1CC[NH+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143111930 1378542194 /nfs/dbraw/zinc/54/21/94/1378542194.db2.gz IMEGYSNTYQMUJJ-UHFFFAOYSA-N 1 1 332.488 3.380 20 10 EGCDMO COC1(C)CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298827 1378712857 /nfs/dbraw/zinc/71/28/57/1378712857.db2.gz KGBFKIQOGGFCFS-UHFFFAOYSA-N 1 1 332.213 3.295 20 10 EGCDMO Cc1cc2nccn2cc1NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167434879 1383633511 /nfs/dbraw/zinc/63/35/11/1383633511.db2.gz XNGDOCSAVGSASH-UHFFFAOYSA-N 1 1 335.455 3.007 20 10 EGCDMO C[NH+](C)[C@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1Cl ZINC001336715376 1389143624 /nfs/dbraw/zinc/14/36/24/1389143624.db2.gz KOUGWIGJWSTQJW-QGZVFWFLSA-N 1 1 346.862 3.024 20 10 EGCDMO CCOC(=O)C[C@H]1CCC[N@H+]1Cc1ccc(Br)cc1O ZINC001350613679 1391489627 /nfs/dbraw/zinc/48/96/27/1391489627.db2.gz ZZXCVVIWBBFJMY-CYBMUJFWSA-N 1 1 342.233 3.072 20 10 EGCDMO C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227278 998871689 /nfs/dbraw/zinc/87/16/89/998871689.db2.gz ZUWONUCVWMWUIZ-XHSDSOJGSA-N 1 1 348.487 3.499 20 10 EGCDMO C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169718 455242857 /nfs/dbraw/zinc/24/28/57/455242857.db2.gz HFKDXNBJTRABFL-RDJZCZTQSA-N 1 1 327.424 3.174 20 10 EGCDMO Cc1ccoc1C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158096192 455268634 /nfs/dbraw/zinc/26/86/34/455268634.db2.gz IJJBGLXUZHRVEA-OAHLLOKOSA-N 1 1 348.830 3.341 20 10 EGCDMO Cc1ccoc1C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000158096192 455268638 /nfs/dbraw/zinc/26/86/38/455268638.db2.gz IJJBGLXUZHRVEA-OAHLLOKOSA-N 1 1 348.830 3.341 20 10 EGCDMO C[N@H+](CC(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000016386738 453604559 /nfs/dbraw/zinc/60/45/59/453604559.db2.gz FZDHMCWCVCRGGT-UHFFFAOYSA-N 1 1 329.488 3.168 20 10 EGCDMO C[N@@H+](CC(=O)NC1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000016386738 453604563 /nfs/dbraw/zinc/60/45/63/453604563.db2.gz FZDHMCWCVCRGGT-UHFFFAOYSA-N 1 1 329.488 3.168 20 10 EGCDMO CN(C)c1ccc(C[N@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000070009285 454163186 /nfs/dbraw/zinc/16/31/86/454163186.db2.gz HFOQYZKNSAQCOS-UHFFFAOYSA-N 1 1 349.438 3.362 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](Cc2nc(-c3ccccn3)no2)C2CC2)cc1 ZINC000070009285 454163190 /nfs/dbraw/zinc/16/31/90/454163190.db2.gz HFOQYZKNSAQCOS-UHFFFAOYSA-N 1 1 349.438 3.362 20 10 EGCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)Cc1ccccc1O ZINC000079392909 454406937 /nfs/dbraw/zinc/40/69/37/454406937.db2.gz BOKRYMLSUQFVKA-MRXNPFEDSA-N 1 1 333.476 3.188 20 10 EGCDMO CCC(=O)N1CCC[N@@H+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000092186968 454532620 /nfs/dbraw/zinc/53/26/20/454532620.db2.gz QORNQZAAEVJJEJ-UHFFFAOYSA-N 1 1 335.467 3.116 20 10 EGCDMO CCC(=O)N1CCC[N@H+](Cc2ccc(N(CC)CC)c(F)c2)CC1 ZINC000092186968 454532624 /nfs/dbraw/zinc/53/26/24/454532624.db2.gz QORNQZAAEVJJEJ-UHFFFAOYSA-N 1 1 335.467 3.116 20 10 EGCDMO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000052466902 454675675 /nfs/dbraw/zinc/67/56/75/454675675.db2.gz RETCGIIXUPENKQ-HNNXBMFYSA-N 1 1 344.459 3.475 20 10 EGCDMO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000052466902 454675681 /nfs/dbraw/zinc/67/56/81/454675681.db2.gz RETCGIIXUPENKQ-HNNXBMFYSA-N 1 1 344.459 3.475 20 10 EGCDMO COc1cccc(C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000093336928 454703704 /nfs/dbraw/zinc/70/37/04/454703704.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 1 1 340.467 3.355 20 10 EGCDMO COc1cccc(C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000093336928 454703706 /nfs/dbraw/zinc/70/37/06/454703706.db2.gz FYGWETQXSZFAPW-SFHVURJKSA-N 1 1 340.467 3.355 20 10 EGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000093362471 454709020 /nfs/dbraw/zinc/70/90/20/454709020.db2.gz WAKRFICPBWLDIX-QGZVFWFLSA-N 1 1 340.423 3.028 20 10 EGCDMO CCOc1ccccc1NC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000137278833 454774453 /nfs/dbraw/zinc/77/44/53/454774453.db2.gz MFOWXQATIQLYJK-UHFFFAOYSA-N 1 1 328.412 3.252 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000177858982 454913449 /nfs/dbraw/zinc/91/34/49/454913449.db2.gz VOXCEFWTYJTBOO-GOSISDBHSA-N 1 1 346.519 3.016 20 10 EGCDMO C[NH+](C)CCOc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113323740 454922661 /nfs/dbraw/zinc/92/26/61/454922661.db2.gz BAIKZRYFDFCGME-UHFFFAOYSA-N 1 1 334.847 3.276 20 10 EGCDMO CCOc1cccc(C[N@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179629847 455062656 /nfs/dbraw/zinc/06/26/56/455062656.db2.gz JTZWZRKSAWPGDO-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2c(C)cccc2C)c1O ZINC000179629847 455062659 /nfs/dbraw/zinc/06/26/59/455062659.db2.gz JTZWZRKSAWPGDO-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c(O)c1 ZINC000180130061 455136998 /nfs/dbraw/zinc/13/69/98/455136998.db2.gz UKJOEQABSLBSAB-QGZVFWFLSA-N 1 1 329.444 3.351 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CCc3scnc3C)CC2)cc1 ZINC000172528151 455160554 /nfs/dbraw/zinc/16/05/54/455160554.db2.gz DUGFMIQIWRIFOQ-UHFFFAOYSA-N 1 1 331.485 3.215 20 10 EGCDMO CCOCc1cc(C[NH2+]Cc2cn3cc(C)ccc3n2)ccc1OC ZINC000264360055 455197758 /nfs/dbraw/zinc/19/77/58/455197758.db2.gz HSBAITSTZJRQRL-UHFFFAOYSA-N 1 1 339.439 3.478 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000184694811 455428980 /nfs/dbraw/zinc/42/89/80/455428980.db2.gz UGJLKMMLCZFLQJ-MRXNPFEDSA-N 1 1 333.815 3.146 20 10 EGCDMO C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(F)ccc1[O-] ZINC000185870518 455638532 /nfs/dbraw/zinc/63/85/32/455638532.db2.gz HNQPEYWWBJMJGU-AWEZNQCLSA-N 1 1 329.419 3.494 20 10 EGCDMO C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(Cl)ccc1[O-] ZINC000186197195 455713634 /nfs/dbraw/zinc/71/36/34/455713634.db2.gz 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YILHGEPCQUNIAY-HZPDHXFCSA-N 1 1 348.487 3.484 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)COc2cccc(F)c2)c1 ZINC000756457907 1300495982 /nfs/dbraw/zinc/49/59/82/1300495982.db2.gz ICRJGCAWVIZOQC-CHWSQXEVSA-N 1 1 347.386 3.436 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc3c(c2)CCO3)c1 ZINC000756569950 1300522976 /nfs/dbraw/zinc/52/29/76/1300522976.db2.gz AFPWVZZNIDNLEF-CYBMUJFWSA-N 1 1 341.407 3.007 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1O)c1cnn(C)c1 ZINC000756604157 1300529249 /nfs/dbraw/zinc/52/92/49/1300529249.db2.gz DODPCECXFAVTCH-BDAKNGLRSA-N 1 1 342.212 3.439 20 10 EGCDMO C[C@@H]([NH2+]C[C@H](O)c1c(F)cccc1F)c1cc(F)cc(F)c1O ZINC000756739520 1300557178 /nfs/dbraw/zinc/55/71/78/1300557178.db2.gz ODJOHQGNYWQPHP-CLAHSXSESA-N 1 1 329.293 3.333 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1cc(F)cc(F)c1O ZINC000757655838 1300704481 /nfs/dbraw/zinc/70/44/81/1300704481.db2.gz LFRYZFUAMJNOQF-NSHDSACASA-N 1 1 348.349 3.478 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2CCC(OC)CC2)c1 ZINC000757681959 1300709667 /nfs/dbraw/zinc/70/96/67/1300709667.db2.gz ILBVOBDKDGDSOF-VQCLRJIVSA-N 1 1 335.444 3.425 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(C)(C)O)C3)cc2)CC1 ZINC000879964609 1300810530 /nfs/dbraw/zinc/81/05/30/1300810530.db2.gz KMXLGORCWLRKLM-GOSISDBHSA-N 1 1 346.515 3.285 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CCC(=O)Nc2cc(C)on2)cc1 ZINC000759642668 1301135432 /nfs/dbraw/zinc/13/54/32/1301135432.db2.gz JWGVHVNJUFTKGB-UHFFFAOYSA-N 1 1 344.459 3.290 20 10 EGCDMO C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112718 1301404260 /nfs/dbraw/zinc/40/42/60/1301404260.db2.gz LGSJNIPEGMVFPZ-KDOFPFPSSA-N 1 1 338.411 3.496 20 10 EGCDMO C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112718 1301404261 /nfs/dbraw/zinc/40/42/61/1301404261.db2.gz LGSJNIPEGMVFPZ-KDOFPFPSSA-N 1 1 338.411 3.496 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1 ZINC000761215265 1301421590 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CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccccc1-n1cncn1 ZINC000768134866 1302831649 /nfs/dbraw/zinc/83/16/49/1302831649.db2.gz VZUJKVDPXZLLAY-UHFFFAOYSA-N 1 1 335.455 3.355 20 10 EGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000768164341 1302842918 /nfs/dbraw/zinc/84/29/18/1302842918.db2.gz YCMQMYUYHNUWNW-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc1N1CCOCC1 ZINC000768359966 1302886725 /nfs/dbraw/zinc/88/67/25/1302886725.db2.gz ICEKWXWEGDHVPC-HXUWFJFHSA-N 1 1 341.430 3.394 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](C1CC1)[C@@H]1CCc3ccccc31)[C@H](O)CO2 ZINC000768444987 1302907852 /nfs/dbraw/zinc/90/78/52/1302907852.db2.gz ZVXPNTPMUDXGIP-UYAOXDASSA-N 1 1 337.419 3.470 20 10 EGCDMO Oc1cc2c(cc1C[N@H+](Cc1ccc(F)cc1)CC1CC1)[C@H](O)CO2 ZINC000768447303 1302908012 /nfs/dbraw/zinc/90/80/12/1302908012.db2.gz OCTOYPASWPLNTL-LJQANCHMSA-N 1 1 343.398 3.369 20 10 EGCDMO COC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769402522 1303107479 /nfs/dbraw/zinc/10/74/79/1303107479.db2.gz HQLUBMPXIGLKFI-KRWDZBQOSA-N 1 1 347.459 3.444 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000769424149 1303110894 /nfs/dbraw/zinc/11/08/94/1303110894.db2.gz RZCGIENESWTOPU-QAPCUYQASA-N 1 1 347.503 3.488 20 10 EGCDMO CC[N@H+]1C[C@H](C)N(Cc2cccc(Br)c2O)C[C@H]1C ZINC000769467038 1303118399 /nfs/dbraw/zinc/11/83/99/1303118399.db2.gz RCWVMJADBBYBHV-NEPJUHHUSA-N 1 1 327.266 3.069 20 10 EGCDMO CC[N@@H+]1C[C@H](C)N(Cc2cccc(Br)c2O)C[C@H]1C ZINC000769467038 1303118398 /nfs/dbraw/zinc/11/83/98/1303118398.db2.gz RCWVMJADBBYBHV-NEPJUHHUSA-N 1 1 327.266 3.069 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000769512821 1303133497 /nfs/dbraw/zinc/13/34/97/1303133497.db2.gz RNJXCACMYYHVED-KRWDZBQOSA-N 1 1 333.476 3.242 20 10 EGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000769547256 1303138360 /nfs/dbraw/zinc/13/83/60/1303138360.db2.gz AIBSGNKPKHPXFG-UYAOXDASSA-N 1 1 332.488 3.159 20 10 EGCDMO CC(=O)N1CC[N@@H+](Cc2cc(Cl)ccc2O)CC12CCCCC2 ZINC000770294429 1303245462 /nfs/dbraw/zinc/24/54/62/1303245462.db2.gz YAAICOWJSPSHJU-UHFFFAOYSA-N 1 1 336.863 3.413 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c(O)c1 ZINC000770319730 1303247831 /nfs/dbraw/zinc/24/78/31/1303247831.db2.gz BAQGCRLRWSGJEZ-CRAIPNDOSA-N 1 1 331.412 3.472 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1c(O)cccc1F ZINC000886507310 1303480709 /nfs/dbraw/zinc/48/07/09/1303480709.db2.gz DZXXJWKKPBLZEL-ZDUSSCGKSA-N 1 1 348.393 3.358 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1c(O)cccc1F ZINC000886627024 1303530616 /nfs/dbraw/zinc/53/06/16/1303530616.db2.gz RCLZUAGVMGDKDU-ABAIWWIYSA-N 1 1 332.350 3.127 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)cc1 ZINC000773732519 1303731449 /nfs/dbraw/zinc/73/14/49/1303731449.db2.gz DBRHQYVYIUZNGA-UHFFFAOYSA-N 1 1 330.428 3.463 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1 ZINC000773757283 1303735498 /nfs/dbraw/zinc/73/54/98/1303735498.db2.gz OGMWJESMCYAXFX-NRFANRHFSA-N 1 1 342.483 3.152 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)cc1 ZINC000773831323 1303742873 /nfs/dbraw/zinc/74/28/73/1303742873.db2.gz JEHXOVGXNDSLTC-HXUWFJFHSA-N 1 1 328.431 3.375 20 10 EGCDMO CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1=O ZINC000774254061 1303790598 /nfs/dbraw/zinc/79/05/98/1303790598.db2.gz QCJCCAULOGVZHZ-ZJUUUORDSA-N 1 1 331.243 3.359 20 10 EGCDMO C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000774350910 1303801419 /nfs/dbraw/zinc/80/14/19/1303801419.db2.gz ACVBEERDZVDPQT-YMTOWFKASA-N 1 1 334.243 3.137 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774834404 1303864968 /nfs/dbraw/zinc/86/49/68/1303864968.db2.gz VKCBDHDBWJPNSF-HNNXBMFYSA-N 1 1 342.395 3.374 20 10 EGCDMO COc1c(O)c(C[N@H+]2CC[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000774834404 1303864974 /nfs/dbraw/zinc/86/49/74/1303864974.db2.gz VKCBDHDBWJPNSF-HNNXBMFYSA-N 1 1 342.395 3.374 20 10 EGCDMO COc1c(O)c(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775055209 1303896377 /nfs/dbraw/zinc/89/63/77/1303896377.db2.gz QWYSFPJXBGSRBD-ONGXEEELSA-N 1 1 348.321 3.472 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCc3cccc(C)c3C2)ccc1[N+](=O)[O-] ZINC000775117291 1303912827 /nfs/dbraw/zinc/91/28/27/1303912827.db2.gz BTYVMVHPXJPXQW-UHFFFAOYSA-N 1 1 328.368 3.176 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCc3cccc(C)c3C2)ccc1[N+](=O)[O-] ZINC000775117291 1303912833 /nfs/dbraw/zinc/91/28/33/1303912833.db2.gz BTYVMVHPXJPXQW-UHFFFAOYSA-N 1 1 328.368 3.176 20 10 EGCDMO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775368292 1303946863 /nfs/dbraw/zinc/94/68/63/1303946863.db2.gz DZJBPQGMXKBKNC-NHCUHLMSSA-N 1 1 345.531 3.122 20 10 EGCDMO Brc1c[nH+]ccc1NCCCSc1nccs1 ZINC000775478501 1303969697 /nfs/dbraw/zinc/96/96/97/1303969697.db2.gz PXVCVOGPOTUHFC-UHFFFAOYSA-N 1 1 330.276 3.317 20 10 EGCDMO CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)Cc1ccccc1F ZINC000775641467 1304000122 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20 10 EGCDMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000840974799 1321192240 /nfs/dbraw/zinc/19/22/40/1321192240.db2.gz OXTKDGHXZLSBHQ-GFCCVEGCSA-N 1 1 340.826 3.162 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000841041853 1321207259 /nfs/dbraw/zinc/20/72/59/1321207259.db2.gz FTEFLJGDWBWGGI-GOSISDBHSA-N 1 1 349.425 3.186 20 10 EGCDMO Cc1ccc2cc(CNC[C@@H]([NH3+])c3ccc(N(C)C)cc3)ccc2n1 ZINC000841042725 1321207777 /nfs/dbraw/zinc/20/77/77/1321207777.db2.gz MVIYQTVRJWRGON-HXUWFJFHSA-N 1 1 334.467 3.399 20 10 EGCDMO COc1ccc(C[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841044916 1321208792 /nfs/dbraw/zinc/20/87/92/1321208792.db2.gz ZVYSNIFXUXFULC-GOSISDBHSA-N 1 1 333.863 3.204 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C\c2ccc(F)cc2F)cc1 ZINC000841046223 1321209150 /nfs/dbraw/zinc/20/91/50/1321209150.db2.gz YBWVVYOLIOSPSH-LLHWWHOWSA-N 1 1 331.410 3.334 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841753390 1321306736 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COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000846051702 1321764317 /nfs/dbraw/zinc/76/43/17/1321764317.db2.gz LCZXSDAKBKAZTQ-UHFFFAOYSA-N 1 1 342.365 3.005 20 10 EGCDMO COc1cccc([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)c1O ZINC000846164901 1321772924 /nfs/dbraw/zinc/77/29/24/1321772924.db2.gz ZVFHHHRPLHEWBT-ZDUSSCGKSA-N 1 1 343.427 3.114 20 10 EGCDMO C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000846205675 1321775433 /nfs/dbraw/zinc/77/54/33/1321775433.db2.gz JQBOSQROTBKTKU-UWVGGRQHSA-N 1 1 343.254 3.361 20 10 EGCDMO CN(C)c1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000846783755 1321808655 /nfs/dbraw/zinc/80/86/55/1321808655.db2.gz CNVHAWRFKWWTEG-SFHVURJKSA-N 1 1 345.874 3.325 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)cc(F)c1O ZINC000848557822 1321976374 /nfs/dbraw/zinc/97/63/74/1321976374.db2.gz HSFCKTRGBLKSTP-MGPLVRAMSA-N 1 1 332.350 3.275 20 10 EGCDMO CCc1cccc(C[N@@H+]2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000848881601 1322026280 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EGCDMO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494602 1322257339 /nfs/dbraw/zinc/25/73/39/1322257339.db2.gz QVPUQTLRULEKHO-RDJZCZTQSA-N 1 1 349.494 3.186 20 10 EGCDMO C[C@H](N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494602 1322257347 /nfs/dbraw/zinc/25/73/47/1322257347.db2.gz QVPUQTLRULEKHO-RDJZCZTQSA-N 1 1 349.494 3.186 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(OC)c2C)c1 ZINC000850579552 1322271901 /nfs/dbraw/zinc/27/19/01/1322271901.db2.gz WILWSTRRZNRUKF-ZDUSSCGKSA-N 1 1 329.396 3.347 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)c1cnn(C)n1 ZINC000924854893 1323189486 /nfs/dbraw/zinc/18/94/86/1323189486.db2.gz NSYKJAKIDJZGLG-OAHLLOKOSA-N 1 1 327.476 3.435 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]3C[C@H]3C2)c(C)n1-c1ccc(F)cn1 ZINC000852634412 1323220788 /nfs/dbraw/zinc/22/07/88/1323220788.db2.gz NCFVYGHKWQDCCB-GJZGRUSLSA-N 1 1 327.403 3.153 20 10 EGCDMO CCc1cc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555670 1325122167 /nfs/dbraw/zinc/12/21/67/1325122167.db2.gz MYYVCJFHDCJPAZ-MAUKXSAKSA-N 1 1 344.499 3.353 20 10 EGCDMO C[N@H+]1C[C@H](C(=O)NCc2cc(Cl)ccc2O)[C@@H](c2ccccc2)C1 ZINC000862130673 1329460774 /nfs/dbraw/zinc/46/07/74/1329460774.db2.gz KSEVAVNUTOPGKP-SJORKVTESA-N 1 1 344.842 3.007 20 10 EGCDMO OC[C@@H]1c2ccccc2CC[N@@H+]1Cc1c(O)cccc1Br ZINC000862245897 1329470302 /nfs/dbraw/zinc/47/03/02/1329470302.db2.gz AVRYUVTVSAGSNP-MRXNPFEDSA-N 1 1 348.240 3.246 20 10 EGCDMO CC[N@H+]1CC[C@H](N(C)Cc2cc(F)c(N(C)C)cc2F)C[C@@H]1C ZINC000862249191 1329471051 /nfs/dbraw/zinc/47/10/51/1329471051.db2.gz YJYMRNNIXGNUGC-ZFWWWQNUSA-N 1 1 325.447 3.335 20 10 EGCDMO CCCN(Cc1c(O)cccc1Br)[C@H]1CC[N@@H+](C)C1 ZINC000862399947 1329482910 /nfs/dbraw/zinc/48/29/10/1329482910.db2.gz IJQHPRZRQHNUCU-LBPRGKRZSA-N 1 1 327.266 3.071 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@](O)(c3ccccc3)C2)c1 ZINC000862482384 1329490389 /nfs/dbraw/zinc/49/03/89/1329490389.db2.gz HESSYHCWLSOXEF-FQEVSTJZSA-N 1 1 327.424 3.275 20 10 EGCDMO 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TWCXKSZZUNBINB-UHFFFAOYSA-N 1 1 342.233 3.284 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2N(C)C)cc1OC ZINC000288619954 456100483 /nfs/dbraw/zinc/10/04/83/456100483.db2.gz OHPNCZHFVFYUPE-UHFFFAOYSA-N 1 1 330.428 3.107 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000289462504 456125179 /nfs/dbraw/zinc/12/51/79/456125179.db2.gz GQPYFQJNZRMIPO-SJLPKXTDSA-N 1 1 333.403 3.267 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)c1O ZINC000289462504 456125185 /nfs/dbraw/zinc/12/51/85/456125185.db2.gz GQPYFQJNZRMIPO-SJLPKXTDSA-N 1 1 333.403 3.267 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000289462500 456126332 /nfs/dbraw/zinc/12/63/32/456126332.db2.gz GQPYFQJNZRMIPO-FUHWJXTLSA-N 1 1 333.403 3.267 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)c1O ZINC000289462500 456126333 /nfs/dbraw/zinc/12/63/33/456126333.db2.gz GQPYFQJNZRMIPO-FUHWJXTLSA-N 1 1 333.403 3.267 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCN(C(C)=O)C3(CCCCC3)C2)c1O ZINC000271246989 456191588 /nfs/dbraw/zinc/19/15/88/456191588.db2.gz HKYUGPFGDXQSPS-UHFFFAOYSA-N 1 1 346.471 3.158 20 10 EGCDMO CCCCC[N@@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297437193 456220402 /nfs/dbraw/zinc/22/04/02/456220402.db2.gz ILMMFYDJBHQGOE-UHFFFAOYSA-N 1 1 334.504 3.286 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273368844 456224975 /nfs/dbraw/zinc/22/49/75/456224975.db2.gz BZBDVOZOQSAUJZ-NEPJUHHUSA-N 1 1 328.387 3.462 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273393164 456227063 /nfs/dbraw/zinc/22/70/63/456227063.db2.gz LICVTXOQNPILSY-LRDDRELGSA-N 1 1 348.468 3.194 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(OC)c(F)c2)c1 ZINC000273415980 456229260 /nfs/dbraw/zinc/22/92/60/456229260.db2.gz QYNBIMCYRKTGHV-NSHDSACASA-N 1 1 333.359 3.177 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 ZINC000273554475 456238174 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Oc1ccc(Cl)c(F)c1C[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000365149857 457728927 /nfs/dbraw/zinc/72/89/27/457728927.db2.gz ZHPRPGVXPZNCER-UHFFFAOYSA-N 1 1 332.766 3.055 20 10 EGCDMO O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC000368786646 458056684 /nfs/dbraw/zinc/05/66/84/458056684.db2.gz XYFYJCQPLNJZHS-GOSISDBHSA-N 1 1 328.799 3.141 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCCOC2)O1 ZINC000369100816 458081861 /nfs/dbraw/zinc/08/18/61/458081861.db2.gz QDWJJXLYXGFCFJ-YWZLYKJASA-N 1 1 327.424 3.315 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000458751878 458159418 /nfs/dbraw/zinc/15/94/18/458159418.db2.gz UTUFCWMFHIYRJY-MRXNPFEDSA-N 1 1 342.487 3.111 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000280693878 547373579 /nfs/dbraw/zinc/37/35/79/547373579.db2.gz VYHAOQDPKDMQKV-HNNXBMFYSA-N 1 1 330.394 3.364 20 10 EGCDMO OC[C@]1(c2ccccc2)CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000365847580 547779527 /nfs/dbraw/zinc/77/95/27/547779527.db2.gz NDQKCBKGIOAGOO-SFHVURJKSA-N 1 1 335.806 3.321 20 10 EGCDMO OC[C@]1(c2ccccc2)CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000365847580 547779535 /nfs/dbraw/zinc/77/95/35/547779535.db2.gz NDQKCBKGIOAGOO-SFHVURJKSA-N 1 1 335.806 3.321 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000366651493 547783745 /nfs/dbraw/zinc/78/37/45/547783745.db2.gz GZEOFJTXGZILQO-SFHVURJKSA-N 1 1 345.487 3.331 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000731123377 575055960 /nfs/dbraw/zinc/05/59/60/575055960.db2.gz DNWVYGUQNLVGAL-GOSISDBHSA-N 1 1 346.519 3.016 20 10 EGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(N(C)C)cc1C ZINC000734530110 575510267 /nfs/dbraw/zinc/51/02/67/575510267.db2.gz CQGZQDORCYKFLU-SFHVURJKSA-N 1 1 346.519 3.125 20 10 EGCDMO [O-]c1ccc2ccncc2c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738264572 576308087 /nfs/dbraw/zinc/30/80/87/576308087.db2.gz DWOICGBDPDNVEM-KRWDZBQOSA-N 1 1 325.456 3.391 20 10 EGCDMO [O-]c1ccc2ccncc2c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000738264572 576308088 /nfs/dbraw/zinc/30/80/88/576308088.db2.gz DWOICGBDPDNVEM-KRWDZBQOSA-N 1 1 325.456 3.391 20 10 EGCDMO Cc1cc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000741725032 576714052 /nfs/dbraw/zinc/71/40/52/576714052.db2.gz QRSGUMWMPODZIN-GUYCJALGSA-N 1 1 343.446 3.446 20 10 EGCDMO CCN(C)c1ccc(C[NH+]2CCN(Cc3c(C)noc3C)CC2)cc1 ZINC000741754717 576717458 /nfs/dbraw/zinc/71/74/58/576717458.db2.gz WIYXBEXUONWWRY-UHFFFAOYSA-N 1 1 342.487 3.065 20 10 EGCDMO CC[N@@H+](CCC(=O)OC(C)C)Cc1cc(Br)ccc1O ZINC000743874700 576818263 /nfs/dbraw/zinc/81/82/63/576818263.db2.gz ZRRSESPXHRIPJJ-UHFFFAOYSA-N 1 1 344.249 3.318 20 10 EGCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708135210 1298234949 /nfs/dbraw/zinc/23/49/49/1298234949.db2.gz XNIZMSCEQHLDEP-UHFFFAOYSA-N 1 1 345.668 3.160 20 10 EGCDMO CCOC(=O)C[N@H+](CCc1ccccc1)Cc1cc(C)ccc1O ZINC000769405344 1303108478 /nfs/dbraw/zinc/10/84/78/1303108478.db2.gz UHTDRCPMXJKHNZ-UHFFFAOYSA-N 1 1 327.424 3.308 20 10 EGCDMO CCOC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(C)ccc1O ZINC000769405344 1303108480 /nfs/dbraw/zinc/10/84/80/1303108480.db2.gz UHTDRCPMXJKHNZ-UHFFFAOYSA-N 1 1 327.424 3.308 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCO[C@@H](COC(C)C)C3)c2c1 ZINC000769811806 1303179161 /nfs/dbraw/zinc/17/91/61/1303179161.db2.gz BCLYPZOYXGMNPZ-QGZVFWFLSA-N 1 1 345.439 3.180 20 10 EGCDMO C[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)[N@H+](C)C1CC1 ZINC000792975790 1309273972 /nfs/dbraw/zinc/27/39/72/1309273972.db2.gz DWERQMISQMRVAP-LBPRGKRZSA-N 1 1 329.410 3.344 20 10 EGCDMO C[C@@H](CNCc1ccc(N(C)C)cc1C(F)(F)F)[N@@H+](C)C1CC1 ZINC000792975790 1309273981 /nfs/dbraw/zinc/27/39/81/1309273981.db2.gz DWERQMISQMRVAP-LBPRGKRZSA-N 1 1 329.410 3.344 20 10 EGCDMO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000007218775 1291066034 /nfs/dbraw/zinc/06/60/34/1291066034.db2.gz LBHRWFYWHDBYDU-AWEZNQCLSA-N 1 1 345.874 3.373 20 10 EGCDMO Oc1cc2c(cc1CNCC1([NH+]3CCCCC3)CCCCC1)OCO2 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CCCn1nccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000824507180 1320262383 /nfs/dbraw/zinc/26/23/83/1320262383.db2.gz DZZVQWHBCNMRDX-SFHVURJKSA-N 1 1 329.444 3.180 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@@H+](C)CCn2cc(Br)cn2)c1 ZINC000808243335 1317649886 /nfs/dbraw/zinc/64/98/86/1317649886.db2.gz GKXVAACWBSKCAE-UHFFFAOYSA-N 1 1 338.249 3.100 20 10 EGCDMO COc1ccnc([C@@H](C)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1 ZINC000903448087 1317702561 /nfs/dbraw/zinc/70/25/61/1317702561.db2.gz JLKUYBRBOIQICF-FOIQADDNSA-N 1 1 342.487 3.110 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808785301 1317734123 /nfs/dbraw/zinc/73/41/23/1317734123.db2.gz BNNHWALCRWGWHJ-UHFFFAOYSA-N 1 1 330.403 3.432 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)Cc2ccccc2N(C)C)c1O ZINC000808785301 1317734129 /nfs/dbraw/zinc/73/41/29/1317734129.db2.gz BNNHWALCRWGWHJ-UHFFFAOYSA-N 1 1 330.403 3.432 20 10 EGCDMO Oc1ccccc1C[NH2+]Cc1nc2ccccn2c1Br ZINC000809612498 1317845018 /nfs/dbraw/zinc/84/50/18/1317845018.db2.gz 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RCCXALZXGXDPTC-UHFFFAOYSA-N 1 1 349.438 3.024 20 10 EGCDMO CCOC(=O)CCCCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000265398353 455318413 /nfs/dbraw/zinc/31/84/13/455318413.db2.gz PNCVTBUEDYLREY-UHFFFAOYSA-N 1 1 348.487 3.079 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000191365280 455479907 /nfs/dbraw/zinc/47/99/07/455479907.db2.gz VPPKSDKIGLXJQX-MEBBXXQBSA-N 1 1 331.840 3.329 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(O)c1 ZINC000186127452 455699596 /nfs/dbraw/zinc/69/95/96/455699596.db2.gz BSMDCAHPHTUXNA-SNRMKQJTSA-N 1 1 332.488 3.119 20 10 EGCDMO Cc1ncsc1/C=C/C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21 ZINC000186172312 455709483 /nfs/dbraw/zinc/70/94/83/455709483.db2.gz OSXJEYIZHHFOQK-ROJDOSBLSA-N 1 1 339.464 3.476 20 10 EGCDMO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000268701275 455711161 /nfs/dbraw/zinc/71/11/61/455711161.db2.gz AAOFQKHDBUCVLO-MRXNPFEDSA-N 1 1 349.494 3.187 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000186195569 455714510 /nfs/dbraw/zinc/71/45/10/455714510.db2.gz OCUASCBSOQCXIN-KSSFIOAISA-N 1 1 342.414 3.373 20 10 EGCDMO CCOc1cccc(C[NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)c1O ZINC000192924756 455718749 /nfs/dbraw/zinc/71/87/49/455718749.db2.gz DGQYAFLXDHJHTA-SFHVURJKSA-N 1 1 340.467 3.403 20 10 EGCDMO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000192963572 455727867 /nfs/dbraw/zinc/72/78/67/455727867.db2.gz XAASVTFQFWXZGR-ZJUUUORDSA-N 1 1 331.243 3.361 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Cl)c(Cl)cc1O ZINC000193013397 455734367 /nfs/dbraw/zinc/73/43/67/455734367.db2.gz NJYLPSHTSVUESB-RKDXNWHRSA-N 1 1 329.227 3.113 20 10 EGCDMO Cc1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000186489212 455780410 /nfs/dbraw/zinc/78/04/10/455780410.db2.gz BAOGFHPHTSFFHB-AWEZNQCLSA-N 1 1 327.428 3.414 20 10 EGCDMO Oc1ccc(Br)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293830616 455797866 /nfs/dbraw/zinc/79/78/66/455797866.db2.gz GLOHHKLOOPUNER-AWEZNQCLSA-N 1 1 326.234 3.034 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293980030 455802312 /nfs/dbraw/zinc/80/23/12/455802312.db2.gz KUYNUQCMROYQSF-SFHVURJKSA-N 1 1 327.424 3.318 20 10 EGCDMO CCSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278307246 455812511 /nfs/dbraw/zinc/81/25/11/455812511.db2.gz WKFSFKDICMHXKN-LLVKDONJSA-N 1 1 328.434 3.273 20 10 EGCDMO COc1nccc(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000294587113 455820246 /nfs/dbraw/zinc/82/02/46/455820246.db2.gz RHYZXOSEJYFHTF-UHFFFAOYSA-N 1 1 326.444 3.108 20 10 EGCDMO COc1nccc(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000294587113 455820254 /nfs/dbraw/zinc/82/02/54/455820254.db2.gz RHYZXOSEJYFHTF-UHFFFAOYSA-N 1 1 326.444 3.108 20 10 EGCDMO CCN(CC)c1ccc(C[NH2+][C@@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000294964907 455834394 /nfs/dbraw/zinc/83/43/94/455834394.db2.gz FGLBGQNEDPDGQB-SFHVURJKSA-N 1 1 344.503 3.116 20 10 EGCDMO CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000295286631 455845179 /nfs/dbraw/zinc/84/51/79/455845179.db2.gz UBSYQXVZVNRSJU-ZDUSSCGKSA-N 1 1 328.250 3.138 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H](C)COc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278928134 455853798 /nfs/dbraw/zinc/85/37/98/455853798.db2.gz VVVLJGBREMGKOS-CYBMUJFWSA-N 1 1 346.383 3.175 20 10 EGCDMO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(C)cc1O ZINC000279925990 455878199 /nfs/dbraw/zinc/87/81/99/455878199.db2.gz AKBRBWJVNIGBGE-RBUKOAKNSA-N 1 1 333.520 3.013 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@H]1C ZINC000188109890 456000022 /nfs/dbraw/zinc/00/00/22/456000022.db2.gz QUFVJTWCZZMSOM-APWZRJJASA-N 1 1 330.472 3.308 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)cc1 ZINC000296692383 456011698 /nfs/dbraw/zinc/01/16/98/456011698.db2.gz HPWCJHVPUQCPPU-LJQANCHMSA-N 1 1 343.496 3.082 20 10 EGCDMO C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272672315 456035302 /nfs/dbraw/zinc/03/53/02/456035302.db2.gz UBMBDSKOSLKTES-WBVHZDCISA-N 1 1 347.503 3.488 20 10 EGCDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271173929 456154281 /nfs/dbraw/zinc/15/42/81/456154281.db2.gz FLCVMAYYDRJQDG-GGOJBBCOSA-N 1 1 329.465 3.401 20 10 EGCDMO C[C@@H]1[C@@H](C)[S@](=O)CC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271173929 456154282 /nfs/dbraw/zinc/15/42/82/456154282.db2.gz FLCVMAYYDRJQDG-GGOJBBCOSA-N 1 1 329.465 3.401 20 10 EGCDMO COc1cccc(C[N@@H+](C)CCc2nc(-c3ccccc3)no2)c1O ZINC000289888733 456169994 /nfs/dbraw/zinc/16/99/94/456169994.db2.gz WISFVPREKMZRIW-UHFFFAOYSA-N 1 1 339.395 3.125 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N(C)C)c1 ZINC000273401805 456229029 /nfs/dbraw/zinc/22/90/29/456229029.db2.gz NGRXNOIIRUIVQI-DOMZBBRYSA-N 1 1 348.468 3.194 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c(O)c1C ZINC000273476568 456233319 /nfs/dbraw/zinc/23/33/19/456233319.db2.gz KWARFAPDXSJBKH-KFKAGJAMSA-N 1 1 332.488 3.037 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCC(F)(F)F ZINC000282415134 456505065 /nfs/dbraw/zinc/50/50/65/456505065.db2.gz IUJKAXFTIYOLOE-LBPRGKRZSA-N 1 1 332.366 3.061 20 10 EGCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299543445 456724130 /nfs/dbraw/zinc/72/41/30/456724130.db2.gz AKBRYSXXQRBFBU-UHFFFAOYSA-N 1 1 342.487 3.057 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000349643977 457003708 /nfs/dbraw/zinc/00/37/08/457003708.db2.gz GXXZYUMSDMTHPA-YOEHRIQHSA-N 1 1 342.487 3.015 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)cc1OC ZINC000362636175 457018523 /nfs/dbraw/zinc/01/85/23/457018523.db2.gz DKWDYMPYTQQHIT-GJZGRUSLSA-N 1 1 335.444 3.048 20 10 EGCDMO C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861410 457457212 /nfs/dbraw/zinc/45/72/12/457457212.db2.gz WPEUQTMRYXWLNT-FPMFFAJLSA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(Br)ccc1[O-] ZINC000363861410 457457218 /nfs/dbraw/zinc/45/72/18/457457218.db2.gz WPEUQTMRYXWLNT-FPMFFAJLSA-N 1 1 339.277 3.432 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)c1ccc(Br)cc1[O-] ZINC000370393062 457637859 /nfs/dbraw/zinc/63/78/59/457637859.db2.gz AAWPDKZAIQGIFP-BXKDBHETSA-N 1 1 336.233 3.086 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371327196 457868780 /nfs/dbraw/zinc/86/87/80/457868780.db2.gz MIEPMADJFGRQJN-NEPJUHHUSA-N 1 1 326.234 3.013 20 10 EGCDMO Cc1cc[nH+]c(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)c1 ZINC000530482991 458776133 /nfs/dbraw/zinc/77/61/33/458776133.db2.gz TXJNUPMLKKKXON-UHFFFAOYSA-N 1 1 347.418 3.213 20 10 EGCDMO CCOc1ccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c(O)c1 ZINC000529666219 459833048 /nfs/dbraw/zinc/83/30/48/459833048.db2.gz SDWJQFQTVDBSDL-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c(O)c1 ZINC000529666219 459833052 /nfs/dbraw/zinc/83/30/52/459833052.db2.gz SDWJQFQTVDBSDL-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO COC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000726587682 574562732 /nfs/dbraw/zinc/56/27/32/574562732.db2.gz AFNCGECTSIISSG-HNNXBMFYSA-N 1 1 335.444 3.313 20 10 EGCDMO C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000726980633 574626965 /nfs/dbraw/zinc/62/69/65/574626965.db2.gz CKHPTZBBSQWCMO-QGZVFWFLSA-N 1 1 339.483 3.404 20 10 EGCDMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+](C)Cc1ccccc1O ZINC000731843493 575211922 /nfs/dbraw/zinc/21/19/22/575211922.db2.gz KMABIPBJNSQESX-OAHLLOKOSA-N 1 1 331.416 3.318 20 10 EGCDMO CC(C)CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000741709510 576712504 /nfs/dbraw/zinc/71/25/04/576712504.db2.gz LTCSFXQTDVUOTN-QGZVFWFLSA-N 1 1 331.504 3.269 20 10 EGCDMO CC1CCN(C(=O)C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000741711836 576712595 /nfs/dbraw/zinc/71/25/95/576712595.db2.gz OBMLNWHBOYFWGQ-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO CC(C)[N@@H+](CCC(=O)N1CCC[C@@H]1C)Cc1ccc(N(C)C)cc1 ZINC000743261579 576804560 /nfs/dbraw/zinc/80/45/60/576804560.db2.gz GMXCPHPIAVSALR-KRWDZBQOSA-N 1 1 331.504 3.364 20 10 EGCDMO CC[N@H+](CCN1CCCCC1)Cc1cc(Br)ccc1O ZINC000743870870 576818078 /nfs/dbraw/zinc/81/80/78/576818078.db2.gz FHAQTJQELMAHMO-UHFFFAOYSA-N 1 1 341.293 3.463 20 10 EGCDMO CC[N@@H+](CCN1CCCCC1)Cc1cc(Br)ccc1O ZINC000743870870 576818079 /nfs/dbraw/zinc/81/80/79/576818079.db2.gz FHAQTJQELMAHMO-UHFFFAOYSA-N 1 1 341.293 3.463 20 10 EGCDMO O=[N+]([O-])c1cccc(N2CC[NH+](Cc3c(O)cccc3Cl)CC2)c1 ZINC000768902453 1303009561 /nfs/dbraw/zinc/00/95/61/1303009561.db2.gz SGJBOYYZPFKCAO-UHFFFAOYSA-N 1 1 347.802 3.276 20 10 EGCDMO CCC[N@@H+](Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022013950 1291208741 /nfs/dbraw/zinc/20/87/41/1291208741.db2.gz SSBNAJYMWBSZFS-MRXNPFEDSA-N 1 1 339.501 3.223 20 10 EGCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000075611529 1292402209 /nfs/dbraw/zinc/40/22/09/1292402209.db2.gz AWXZDTDTPVEJMF-UHFFFAOYSA-N 1 1 339.483 3.221 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+](C)CC3(N(C)C)CCC3)cc2)CC1 ZINC000829107141 1292541225 /nfs/dbraw/zinc/54/12/25/1292541225.db2.gz NUBVOHKOKQERMY-UHFFFAOYSA-N 1 1 345.531 3.218 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)CC3(N(C)C)CCC3)cc2)CC1 ZINC000829107141 1292541233 /nfs/dbraw/zinc/54/12/33/1292541233.db2.gz NUBVOHKOKQERMY-UHFFFAOYSA-N 1 1 345.531 3.218 20 10 EGCDMO Cc1cc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)ccc1N1CCCCC1 ZINC000829336889 1292563414 /nfs/dbraw/zinc/56/34/14/1292563414.db2.gz ULQFXJGGQBVVTL-RXVVDRJESA-N 1 1 344.499 3.365 20 10 EGCDMO CC(=O)c1cc(Cl)cc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1O ZINC000830082624 1292660773 /nfs/dbraw/zinc/66/07/73/1292660773.db2.gz LEVPDDPBHGJKNP-GFCCVEGCSA-N 1 1 336.863 3.164 20 10 EGCDMO CCOCC[N@@H+](CC)Cc1cc(Br)cc(OC)c1O ZINC000092537629 1292875208 /nfs/dbraw/zinc/87/52/08/1292875208.db2.gz UIUKKMVHXCFZAV-UHFFFAOYSA-N 1 1 332.238 3.022 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)c1O ZINC000831649204 1292902042 /nfs/dbraw/zinc/90/20/42/1292902042.db2.gz KXURDDRCWLHKHB-DLBZAZTESA-N 1 1 337.847 3.135 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506451 1292922513 /nfs/dbraw/zinc/92/25/13/1292922513.db2.gz CTGWCLKIBUXBTB-BXUZGUMPSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093506451 1292922520 /nfs/dbraw/zinc/92/25/20/1292922520.db2.gz CTGWCLKIBUXBTB-BXUZGUMPSA-N 1 1 326.234 3.156 20 10 EGCDMO CC[NH+](CC)C[C@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000093693413 1292931489 /nfs/dbraw/zinc/93/14/89/1292931489.db2.gz RLDOVDXIQHSOKU-CYBMUJFWSA-N 1 1 341.293 3.318 20 10 EGCDMO Cc1cc(C(=O)NC[C@H]2CC[N@H+](C)C2)c(C)n1-c1cccc(C)c1 ZINC000104187962 1293019467 /nfs/dbraw/zinc/01/94/67/1293019467.db2.gz WMKOFVBNDIHIPG-QGZVFWFLSA-N 1 1 325.456 3.084 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(F)cc1O ZINC000834896230 1293167328 /nfs/dbraw/zinc/16/73/28/1293167328.db2.gz HVLQCYZZBPMERP-XUWXXGDYSA-N 1 1 333.407 3.226 20 10 EGCDMO CCOC(=O)C[N@H+](Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000120700428 1293333641 /nfs/dbraw/zinc/33/36/41/1293333641.db2.gz PGTKOKBPHTWTGI-UHFFFAOYSA-N 1 1 329.396 3.082 20 10 EGCDMO CCOC(=O)C[N@@H+](Cc1c(O)ccc2ccc(OC)cc21)C1CC1 ZINC000120700428 1293333651 /nfs/dbraw/zinc/33/36/51/1293333651.db2.gz PGTKOKBPHTWTGI-UHFFFAOYSA-N 1 1 329.396 3.082 20 10 EGCDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC000128967360 1293609324 /nfs/dbraw/zinc/60/93/24/1293609324.db2.gz JFLHMPROBCIMOC-UHFFFAOYSA-N 1 1 328.840 3.392 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000134741603 1293779950 /nfs/dbraw/zinc/77/99/50/1293779950.db2.gz RHSSPBKHVKDZLL-LJQANCHMSA-N 1 1 341.499 3.325 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C[C@H](C2CC2)CC1=O ZINC000134741603 1293779954 /nfs/dbraw/zinc/77/99/54/1293779954.db2.gz RHSSPBKHVKDZLL-LJQANCHMSA-N 1 1 341.499 3.325 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCN(C)C[C@@H]2c2ccccc2)c1O ZINC000155216561 1294089634 /nfs/dbraw/zinc/08/96/34/1294089634.db2.gz WXACJVDAFBJHBY-GOSISDBHSA-N 1 1 326.440 3.280 20 10 EGCDMO CCOc1cccc(CN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1O ZINC000155216561 1294089636 /nfs/dbraw/zinc/08/96/36/1294089636.db2.gz WXACJVDAFBJHBY-GOSISDBHSA-N 1 1 326.440 3.280 20 10 EGCDMO CCOc1cccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1O ZINC000155216561 1294089638 /nfs/dbraw/zinc/08/96/38/1294089638.db2.gz WXACJVDAFBJHBY-GOSISDBHSA-N 1 1 326.440 3.280 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2ccc([S@@](C)=O)cc2)c(O)cc1C ZINC000160364360 1294266657 /nfs/dbraw/zinc/26/66/57/1294266657.db2.gz VTZWRSCORKNVSU-QHCPKHFHSA-N 1 1 333.453 3.079 20 10 EGCDMO Oc1ccccc1CN(CCC[NH+]1CCCCC1)C[C@@H]1CCCO1 ZINC000161797459 1294300444 /nfs/dbraw/zinc/30/04/44/1294300444.db2.gz TZGJQZPWTJFKFD-IBGZPJMESA-N 1 1 332.488 3.249 20 10 EGCDMO COc1ccc(N2CC[NH+](CCCN[C@@H](C)c3ccco3)CC2)cc1 ZINC000162831892 1294322805 /nfs/dbraw/zinc/32/28/05/1294322805.db2.gz FPIVUEZYZRIASS-KRWDZBQOSA-N 1 1 343.471 3.151 20 10 EGCDMO C[N@@H+]1CCC[C@@H]2CN(Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000164689540 1294352368 /nfs/dbraw/zinc/35/23/68/1294352368.db2.gz ZRVYIBWHNMCVRX-RHSMWYFYSA-N 1 1 332.488 3.311 20 10 EGCDMO C[N@H+]1CCC[C@@H]2CN(Cc3cc(C(C)(C)C)cc(O)c3O)CC[C@H]21 ZINC000164689540 1294352372 /nfs/dbraw/zinc/35/23/72/1294352372.db2.gz ZRVYIBWHNMCVRX-RHSMWYFYSA-N 1 1 332.488 3.311 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CCc3c(C)noc3C)CC2)cc1 ZINC000164922029 1294353721 /nfs/dbraw/zinc/35/37/21/1294353721.db2.gz YJSCLNWIEGIODR-UHFFFAOYSA-N 1 1 329.444 3.055 20 10 EGCDMO COc1cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000179436790 1294794622 /nfs/dbraw/zinc/79/46/22/1294794622.db2.gz DJKDVLBXCHHNLM-IBGZPJMESA-N 1 1 331.387 3.422 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c(O)cc1C ZINC000179436790 1294794627 /nfs/dbraw/zinc/79/46/27/1294794627.db2.gz DJKDVLBXCHHNLM-IBGZPJMESA-N 1 1 331.387 3.422 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000179884532 1294835986 /nfs/dbraw/zinc/83/59/86/1294835986.db2.gz GJFBPQAMEKBNSD-KRWDZBQOSA-N 1 1 332.488 3.345 20 10 EGCDMO COc1ccc(O)c(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1 ZINC000179960849 1294846136 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CCOc1ccc(O)c(C[N@@H+](CCN(C)C)Cc2ccccc2)c1 ZINC000809728158 1317879904 /nfs/dbraw/zinc/87/99/04/1317879904.db2.gz NICOEAGDXZLWRI-UHFFFAOYSA-N 1 1 328.456 3.355 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc1N1CCOCC1 ZINC000809729703 1317881455 /nfs/dbraw/zinc/88/14/55/1317881455.db2.gz XGVNLJKTVPTSIZ-LJQANCHMSA-N 1 1 341.430 3.394 20 10 EGCDMO CCC[N@H+](CC)C[C@@H](C)NCc1cc(Br)ccc1O ZINC000810179601 1317970840 /nfs/dbraw/zinc/97/08/40/1317970840.db2.gz DGZBHRYVLBSHSS-GFCCVEGCSA-N 1 1 329.282 3.365 20 10 EGCDMO CCC[N@@H+](CC)C[C@@H](C)NCc1cc(Br)ccc1O ZINC000810179601 1317970845 /nfs/dbraw/zinc/97/08/45/1317970845.db2.gz DGZBHRYVLBSHSS-GFCCVEGCSA-N 1 1 329.282 3.365 20 10 EGCDMO CN(C)c1ccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)cc1F ZINC000812779145 1318452381 /nfs/dbraw/zinc/45/23/81/1318452381.db2.gz XARBKAMHIMRMAP-GOSISDBHSA-N 1 1 343.446 3.070 20 10 EGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813683219 1318619033 /nfs/dbraw/zinc/61/90/33/1318619033.db2.gz XRSVQZMTOKGFLV-AOOOYVTPSA-N 1 1 331.243 3.188 20 10 EGCDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813683219 1318619051 /nfs/dbraw/zinc/61/90/51/1318619051.db2.gz XRSVQZMTOKGFLV-AOOOYVTPSA-N 1 1 331.243 3.188 20 10 EGCDMO CCc1nocc1C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000815115151 1318894822 /nfs/dbraw/zinc/89/48/22/1318894822.db2.gz FPWMFXUMSCHOSR-OKILXGFUSA-N 1 1 347.434 3.280 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]Cc3coc4ccccc34)cc2)CC1 ZINC000815141343 1318908458 /nfs/dbraw/zinc/90/84/58/1318908458.db2.gz AXCMUWVULDJQNW-UHFFFAOYSA-N 1 1 335.451 3.474 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1C ZINC000815299286 1318950488 /nfs/dbraw/zinc/95/04/88/1318950488.db2.gz VMBDIPPKXGSWDB-GOSISDBHSA-N 1 1 340.467 3.432 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)CC2)c(C)n1-c1ccccc1C ZINC000815299286 1318950490 /nfs/dbraw/zinc/95/04/90/1318950490.db2.gz VMBDIPPKXGSWDB-GOSISDBHSA-N 1 1 340.467 3.432 20 10 EGCDMO COC(=O)CC[N@H+](Cc1ccc2ccccc2c1O)C[C@@H]1CCCO1 ZINC000816513529 1319171378 /nfs/dbraw/zinc/17/13/78/1319171378.db2.gz TUESUYAOCBTVBM-KRWDZBQOSA-N 1 1 343.423 3.090 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CC2(CCOCC2)O1 ZINC000816594450 1319190087 /nfs/dbraw/zinc/19/00/87/1319190087.db2.gz DTOQMBGPUAMXMK-OAHLLOKOSA-N 1 1 327.424 3.315 20 10 EGCDMO OC[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)C[C@H]1c1ccccc1 ZINC000816615505 1319195056 /nfs/dbraw/zinc/19/50/56/1319195056.db2.gz YAOUZOIKJGSIEV-KBXCAEBGSA-N 1 1 335.806 3.441 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817299042 1319320206 /nfs/dbraw/zinc/32/02/06/1319320206.db2.gz SSYUZIPRYCPBLH-ZDUSSCGKSA-N 1 1 325.836 3.233 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](CCO)CC2)c1O ZINC000817299042 1319320215 /nfs/dbraw/zinc/32/02/15/1319320215.db2.gz SSYUZIPRYCPBLH-ZDUSSCGKSA-N 1 1 325.836 3.233 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000817938086 1319466681 /nfs/dbraw/zinc/46/66/81/1319466681.db2.gz DCEIKTPFCKXGDM-RDTXWAMCSA-N 1 1 342.443 3.320 20 10 EGCDMO C[C@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938700 1319467063 /nfs/dbraw/zinc/46/70/63/1319467063.db2.gz QIRLBJVNXZNCHU-LIRRHRJNSA-N 1 1 325.456 3.038 20 10 EGCDMO COC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cccc(Cl)c1 ZINC000817940720 1319469198 /nfs/dbraw/zinc/46/91/98/1319469198.db2.gz HLSPRKTXNDCLDP-RBUKOAKNSA-N 1 1 347.890 3.383 20 10 EGCDMO CC[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc(F)cc1O ZINC000817941804 1319470815 /nfs/dbraw/zinc/47/08/15/1319470815.db2.gz LAWXZCRQHLMCRO-MSOLQXFVSA-N 1 1 331.435 3.338 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@H]2CCCOc3ccccc32)cc1 ZINC000817944351 1319471501 /nfs/dbraw/zinc/47/15/01/1319471501.db2.gz ZQSSQYOGJNEQSD-MOPGFXCFSA-N 1 1 325.456 3.256 20 10 EGCDMO C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccnn1-c1ccccc1 ZINC000817943928 1319471518 /nfs/dbraw/zinc/47/15/18/1319471518.db2.gz WTXDDQRSWGWEIK-UZLBHIALSA-N 1 1 349.482 3.289 20 10 EGCDMO C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000817981842 1319485423 /nfs/dbraw/zinc/48/54/23/1319485423.db2.gz OCHVUVPYNXZBBJ-YMTOWFKASA-N 1 1 345.256 3.462 20 10 EGCDMO Cc1ccc2oc(=O)n(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC000917613823 1319849559 /nfs/dbraw/zinc/84/95/59/1319849559.db2.gz NVIUYDAWOQTENQ-UHFFFAOYSA-N 1 1 325.412 3.058 20 10 EGCDMO Cc1ccc2oc(=O)n(C[N@H+](C)Cc3ccc(N(C)C)cc3)c2c1 ZINC000917613823 1319849566 /nfs/dbraw/zinc/84/95/66/1319849566.db2.gz NVIUYDAWOQTENQ-UHFFFAOYSA-N 1 1 325.412 3.058 20 10 EGCDMO CC(C)n1cncc1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000822438000 1320081904 /nfs/dbraw/zinc/08/19/04/1320081904.db2.gz AKBFDIITTBHKKB-GOSISDBHSA-N 1 1 329.444 3.351 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[NH2+]Cc3ccncc3F)cc2F)C[C@@H](C)O1 ZINC000823671313 1320197145 /nfs/dbraw/zinc/19/71/45/1320197145.db2.gz KYVFYXBSMGMCKZ-ZIAGYGMSSA-N 1 1 347.409 3.263 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cc(C(F)(F)F)nn2C)cc1 ZINC000824475108 1320260492 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CN1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CCSC4)C3)cc2)CC1 ZINC000825215605 1320318531 /nfs/dbraw/zinc/31/85/31/1320318531.db2.gz SSMRJOJSCNNEAB-FQEVSTJZSA-N 1 1 345.556 3.158 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@]4(CCSC4)C3)cc2)CC1 ZINC000825215605 1320318537 /nfs/dbraw/zinc/31/85/37/1320318537.db2.gz SSMRJOJSCNNEAB-FQEVSTJZSA-N 1 1 345.556 3.158 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](CCCO)C2)c(C(F)(F)F)c1 ZINC000825338156 1320329351 /nfs/dbraw/zinc/32/93/51/1320329351.db2.gz MORBCWUWLNFBBC-ZDUSSCGKSA-N 1 1 330.394 3.366 20 10 EGCDMO Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000837187280 1320583617 /nfs/dbraw/zinc/58/36/17/1320583617.db2.gz YOOYPKYSKMFODC-KRWDZBQOSA-N 1 1 340.471 3.044 20 10 EGCDMO COC(=O)[C@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839666357 1320956391 /nfs/dbraw/zinc/95/63/91/1320956391.db2.gz LIXIFLRCKZJNBO-QGZVFWFLSA-N 1 1 339.819 3.023 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)N(C)C)C2)cc1C(C)C ZINC000840146670 1321037712 /nfs/dbraw/zinc/03/77/12/1321037712.db2.gz LPMZBQWYNRKIFT-INIZCTEOSA-N 1 1 333.476 3.060 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000840920959 1321178299 /nfs/dbraw/zinc/17/82/99/1321178299.db2.gz QIFUYLOVVDIZQL-KRWDZBQOSA-N 1 1 339.487 3.436 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000840920959 1321178302 /nfs/dbraw/zinc/17/83/02/1321178302.db2.gz QIFUYLOVVDIZQL-KRWDZBQOSA-N 1 1 339.487 3.436 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000840920959 1321178306 /nfs/dbraw/zinc/17/83/06/1321178306.db2.gz QIFUYLOVVDIZQL-KRWDZBQOSA-N 1 1 339.487 3.436 20 10 EGCDMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(N(C)C)cc1C ZINC000840952909 1321185901 /nfs/dbraw/zinc/18/59/01/1321185901.db2.gz JCQBRPWPZHTWGL-UHFFFAOYSA-N 1 1 344.503 3.060 20 10 EGCDMO OC[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1 ZINC000840963520 1321187990 /nfs/dbraw/zinc/18/79/90/1321187990.db2.gz OVCHPPOPHKNVMP-GFCCVEGCSA-N 1 1 327.758 3.190 20 10 EGCDMO OC[C@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1 ZINC000840962624 1321188281 /nfs/dbraw/zinc/18/82/81/1321188281.db2.gz IEDVHPZOICPECP-NSHDSACASA-N 1 1 327.758 3.190 20 10 EGCDMO COc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(Cl)c1 ZINC000841044918 1321208506 /nfs/dbraw/zinc/20/85/06/1321208506.db2.gz ZVYSNIFXUXFULC-SFHVURJKSA-N 1 1 333.863 3.204 20 10 EGCDMO Nc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000841301414 1321250163 /nfs/dbraw/zinc/25/01/63/1321250163.db2.gz OELUTYUDTYLIES-AWEZNQCLSA-N 1 1 344.484 3.364 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1O ZINC000841760709 1321308353 /nfs/dbraw/zinc/30/83/53/1321308353.db2.gz UGJDNPWJVDSLNA-RRQGHBQHSA-N 1 1 338.879 3.340 20 10 EGCDMO Cc1cc(Br)cc(CN2CCC[C@@H]([C@@H](C)[NH3+])C2)c1O ZINC000843052019 1321461753 /nfs/dbraw/zinc/46/17/53/1321461753.db2.gz OCJHYFUBQBKJIP-VXGBXAGGSA-N 1 1 327.266 3.022 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c1O ZINC000843417435 1321514434 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EGCDMO Oc1cccc(Br)c1C[N@H+]1CCc2cccc(O)c2C1 ZINC001140102953 1378008696 /nfs/dbraw/zinc/00/86/96/1378008696.db2.gz ACVDMQPDPCHSBI-UHFFFAOYSA-N 1 1 334.213 3.419 20 10 EGCDMO Cc1ccc(C)c(C[N@@H+]2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)c1O ZINC001140180256 1378027207 /nfs/dbraw/zinc/02/72/07/1378027207.db2.gz DBJLZVZLXLMHRN-IYBDPMFKSA-N 1 1 343.496 3.029 20 10 EGCDMO COCC[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140286884 1378041131 /nfs/dbraw/zinc/04/11/31/1378041131.db2.gz UYEFDOGDDVTKPJ-GOSISDBHSA-N 1 1 332.488 3.039 20 10 EGCDMO Cc1nccnc1O[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342428 1378049810 /nfs/dbraw/zinc/04/98/10/1378049810.db2.gz IYDWBRWRQFTBAP-ZDUSSCGKSA-N 1 1 333.819 3.187 20 10 EGCDMO COC(=O)[C@H]1C[N@@H+](Cc2c(O)cccc2Cl)C[C@H]1c1ccccc1 ZINC001140342692 1378050045 /nfs/dbraw/zinc/05/00/45/1378050045.db2.gz UZXAIGSOVJJMHL-GJZGRUSLSA-N 1 1 345.826 3.434 20 10 EGCDMO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624453 1378100407 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Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140749471 1378129616 /nfs/dbraw/zinc/12/96/16/1378129616.db2.gz BCQHRDUYMMDRJD-MRXNPFEDSA-N 1 1 328.412 3.153 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCN(C)CC23CCCC3)c(O)c1 ZINC001140855848 1378159506 /nfs/dbraw/zinc/15/95/06/1378159506.db2.gz DBDYRNRXHUELOX-UHFFFAOYSA-N 1 1 331.504 3.299 20 10 EGCDMO CCN(CC)c1ccc(CN2CC[N@H+](C)CC23CCCC3)c(O)c1 ZINC001140855848 1378159507 /nfs/dbraw/zinc/15/95/07/1378159507.db2.gz DBDYRNRXHUELOX-UHFFFAOYSA-N 1 1 331.504 3.299 20 10 EGCDMO CCN(CC)c1ccc(CN2CC[N@@H+](C)CC23CCCC3)c(O)c1 ZINC001140855848 1378159509 /nfs/dbraw/zinc/15/95/09/1378159509.db2.gz DBDYRNRXHUELOX-UHFFFAOYSA-N 1 1 331.504 3.299 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C(C)C)[C@@H]2CCN(C(C)=O)C2)c(O)c1 ZINC001140857754 1378159677 /nfs/dbraw/zinc/15/96/77/1378159677.db2.gz YYZDRORBMBICPN-LJQANCHMSA-N 1 1 347.503 3.070 20 10 EGCDMO CN(C)c1ccc(C[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)c(Cl)c1 ZINC001140921299 1378181114 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Cc1ccc(C[N@@H+](C)C[C@@H]2CN(Cc3ccccc3)CCO2)c(O)c1 ZINC001140958219 1378193120 /nfs/dbraw/zinc/19/31/20/1378193120.db2.gz URJIFHUDYYYPTP-HXUWFJFHSA-N 1 1 340.467 3.033 20 10 EGCDMO Oc1ccc(O)c(C[NH+]2CCN(Cc3ccccc3Cl)CC2)c1 ZINC001141159083 1378253398 /nfs/dbraw/zinc/25/33/98/1378253398.db2.gz YHVOXPJDMDYMOX-UHFFFAOYSA-N 1 1 332.831 3.069 20 10 EGCDMO Oc1ccc(O)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC001141161319 1378254186 /nfs/dbraw/zinc/25/41/86/1378254186.db2.gz DRNQXJUVBAVPLP-HKUYNNGSSA-N 1 1 338.451 3.052 20 10 EGCDMO Oc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)c1 ZINC001141160121 1378254340 /nfs/dbraw/zinc/25/43/40/1378254340.db2.gz QOXINFITQQOCBC-UZLBHIALSA-N 1 1 340.423 3.174 20 10 EGCDMO C[N@H+](Cc1ccccc1F)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162516 1378254870 /nfs/dbraw/zinc/25/48/70/1378254870.db2.gz VOCKWZWBWIKVBE-UHFFFAOYSA-N 1 1 344.430 3.333 20 10 EGCDMO C[N@@H+](Cc1ccccc1F)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162516 1378254878 /nfs/dbraw/zinc/25/48/78/1378254878.db2.gz VOCKWZWBWIKVBE-UHFFFAOYSA-N 1 1 344.430 3.333 20 10 EGCDMO COc1cccc([C@@H]2CSCC[N@H+]2Cc2cc(O)ccc2O)c1 ZINC001141163311 1378256057 /nfs/dbraw/zinc/25/60/57/1378256057.db2.gz ZLRGMYNYHOINCS-KRWDZBQOSA-N 1 1 331.437 3.397 20 10 EGCDMO COC(C[N@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O)OC ZINC001142509156 1378451448 /nfs/dbraw/zinc/45/14/48/1378451448.db2.gz YXHIDRLLZZNCSE-UHFFFAOYSA-N 1 1 337.366 3.292 20 10 EGCDMO COC(C[N@@H+](Cc1ccccc1)Cc1cc(F)c(F)cc1O)OC ZINC001142509156 1378451453 /nfs/dbraw/zinc/45/14/53/1378451453.db2.gz YXHIDRLLZZNCSE-UHFFFAOYSA-N 1 1 337.366 3.292 20 10 EGCDMO Cc1cnc2n1CCC21CC[NH+](Cc2cc(F)c(F)cc2O)CC1 ZINC001142517454 1378452234 /nfs/dbraw/zinc/45/22/34/1378452234.db2.gz NRGXFPPCOBDZFV-UHFFFAOYSA-N 1 1 333.382 3.113 20 10 EGCDMO CC(C)(C)OC(=O)C[C@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530411 1378454619 /nfs/dbraw/zinc/45/46/19/1378454619.db2.gz HDDFGQDURYAMPJ-LLVKDONJSA-N 1 1 327.371 3.224 20 10 EGCDMO CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142530411 1378454622 /nfs/dbraw/zinc/45/46/22/1378454622.db2.gz HDDFGQDURYAMPJ-LLVKDONJSA-N 1 1 327.371 3.224 20 10 EGCDMO CC[N@@H+](Cc1ccc(CC(=O)OC)cc1)Cc1ccc(N(C)C)cc1 ZINC001142910486 1378508054 /nfs/dbraw/zinc/50/80/54/1378508054.db2.gz AFHXHJOVUAMINH-UHFFFAOYSA-N 1 1 340.467 3.490 20 10 EGCDMO Cc1nccnc1O[C@@H]1CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143117017 1378543445 /nfs/dbraw/zinc/54/34/45/1378543445.db2.gz PDWFNVLGTJLUMZ-MRXNPFEDSA-N 1 1 341.455 3.441 20 10 EGCDMO Oc1cc(F)c(Br)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001144300179 1378713252 /nfs/dbraw/zinc/71/32/52/1378713252.db2.gz VVXPWOLVRFIIRV-UHFFFAOYSA-N 1 1 344.224 3.296 20 10 EGCDMO Oc1cc(F)c(Br)cc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001144300179 1378713250 /nfs/dbraw/zinc/71/32/50/1378713250.db2.gz VVXPWOLVRFIIRV-UHFFFAOYSA-N 1 1 344.224 3.296 20 10 EGCDMO [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC001144300179 1378713249 /nfs/dbraw/zinc/71/32/49/1378713249.db2.gz VVXPWOLVRFIIRV-UHFFFAOYSA-N 1 1 344.224 3.296 20 10 EGCDMO Oc1ccc(Br)cc1CNc1nc(NCC2CC2)cc[nH+]1 ZINC001171166997 1384458715 /nfs/dbraw/zinc/45/87/15/1384458715.db2.gz HPDJPOHJRRZUSW-UHFFFAOYSA-N 1 1 349.232 3.379 20 10 EGCDMO CC(C)Nc1cc[nH+]c(NCc2cc(Br)ccc2O)n1 ZINC001171168290 1384459229 /nfs/dbraw/zinc/45/92/29/1384459229.db2.gz RBORTCNXUCYIEP-UHFFFAOYSA-N 1 1 337.221 3.377 20 10 EGCDMO Cc1cccc2c1CC[C@H]([NH2+]Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC001171549733 1384559826 /nfs/dbraw/zinc/55/98/26/1384559826.db2.gz FDDXAPRDVKGOPU-NRFANRHFSA-N 1 1 349.522 3.394 20 10 EGCDMO CCOc1ccc(N2CCN([C@@H]3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC001172127013 1384736093 /nfs/dbraw/zinc/73/60/93/1384736093.db2.gz FZZDFLIQKBCVLL-ACDBMABISA-N 1 1 343.515 3.223 20 10 EGCDMO CCOc1ccc(N2CC[NH+]([C@@H]3C[C@H]4CCC[C@@H](C3)N4C)CC2)cc1 ZINC001172127013 1384736095 /nfs/dbraw/zinc/73/60/95/1384736095.db2.gz FZZDFLIQKBCVLL-ACDBMABISA-N 1 1 343.515 3.223 20 10 EGCDMO COC(=O)[C@H]1CCC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001172615707 1384819222 /nfs/dbraw/zinc/81/92/22/1384819222.db2.gz HJEOMRBXXFPOQM-HKUYNNGSSA-N 1 1 330.472 3.450 20 10 EGCDMO Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(N3CCN(C)CC3)cc1)CC2 ZINC001172826305 1384859632 /nfs/dbraw/zinc/85/96/32/1384859632.db2.gz UFLPBIRDTNIDCR-QFIPXVFZSA-N 1 1 349.522 3.394 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3ccc(Cl)cc3C1)[C@@H](O)CO2 ZINC001319687579 1386252354 /nfs/dbraw/zinc/25/23/54/1386252354.db2.gz NJDYFNRUXRSXAD-KRWDZBQOSA-N 1 1 331.799 3.030 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCc3ccc(Cl)cc3C1)[C@@H](O)CO2 ZINC001319687579 1386252358 /nfs/dbraw/zinc/25/23/58/1386252358.db2.gz NJDYFNRUXRSXAD-KRWDZBQOSA-N 1 1 331.799 3.030 20 10 EGCDMO Cc1cc(CN2CCC[N@@H+](Cc3c(O)cccc3Cl)CC2)no1 ZINC001319947734 1386411174 /nfs/dbraw/zinc/41/11/74/1386411174.db2.gz LFOPXEPFDLYMCS-UHFFFAOYSA-N 1 1 335.835 3.050 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccccc2N2CCCC2)cc1 ZINC001331420770 1389741431 /nfs/dbraw/zinc/74/14/31/1389741431.db2.gz ZPLIJHVQZATTPD-HXUWFJFHSA-N 1 1 338.499 3.142 20 10 EGCDMO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001333371615 1390291801 /nfs/dbraw/zinc/29/18/01/1390291801.db2.gz SBRXNJPNLJSKEE-HXUWFJFHSA-N 1 1 341.499 3.264 20 10 EGCDMO CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1)c1ccc(N)cc1 ZINC001340725895 1390354312 /nfs/dbraw/zinc/35/43/12/1390354312.db2.gz IDBZELCEWVLURH-IBGZPJMESA-N 1 1 341.430 3.425 20 10 EGCDMO CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1)c1ccc(N)cc1 ZINC001340725895 1390354315 /nfs/dbraw/zinc/35/43/15/1390354315.db2.gz IDBZELCEWVLURH-IBGZPJMESA-N 1 1 341.430 3.425 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3c(C)onc3CC)CC2)cc1 ZINC001341376394 1390478665 /nfs/dbraw/zinc/47/86/65/1390478665.db2.gz KVAPAWYASQUABL-UHFFFAOYSA-N 1 1 329.444 3.266 20 10 EGCDMO Cc1noc(C[C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001335032818 1390632871 /nfs/dbraw/zinc/63/28/71/1390632871.db2.gz DZQYPKFTWFXVPT-GOSISDBHSA-N 1 1 340.471 3.433 20 10 EGCDMO C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccccc1O ZINC000183665534 455318935 /nfs/dbraw/zinc/31/89/35/455318935.db2.gz FEVDZHIXFNGAER-KBXCAEBGSA-N 1 1 339.439 3.015 20 10 EGCDMO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccsc2)O1 ZINC000120021831 454248461 /nfs/dbraw/zinc/24/84/61/454248461.db2.gz CZXBBQHYJKWCRH-APPDUMDISA-N 1 1 333.409 3.144 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)C[C@H](c2ccsc2)O1 ZINC000120021831 454248465 /nfs/dbraw/zinc/24/84/65/454248465.db2.gz CZXBBQHYJKWCRH-APPDUMDISA-N 1 1 333.409 3.144 20 10 EGCDMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000092005433 454503226 /nfs/dbraw/zinc/50/32/26/454503226.db2.gz OJHSBSBGGVXQFT-INIZCTEOSA-N 1 1 339.439 3.255 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(O)c1 ZINC000123732053 454669579 /nfs/dbraw/zinc/66/95/79/454669579.db2.gz ASNBPRGYVXMXKD-HIFRSBDPSA-N 1 1 333.350 3.069 20 10 EGCDMO COc1ccc(C[N@@H+](CCO)Cc2cc(C)c(C)cc2O)c(OC)c1 ZINC000093363726 454708113 /nfs/dbraw/zinc/70/81/13/454708113.db2.gz BNKOCFHTYQJXGX-UHFFFAOYSA-N 1 1 345.439 3.021 20 10 EGCDMO C[C@@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420545 454715841 /nfs/dbraw/zinc/71/58/41/454715841.db2.gz PWJPEJVRQIEQEL-GJZGRUSLSA-N 1 1 347.480 3.313 20 10 EGCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(N(C)C)c(F)c2)cc1 ZINC000126412817 454892735 /nfs/dbraw/zinc/89/27/35/454892735.db2.gz BOHXKGKDIXATPS-IBGZPJMESA-N 1 1 332.419 3.066 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997884 455483589 /nfs/dbraw/zinc/48/35/89/455483589.db2.gz KHZAXWKJTMZWQD-VXGBXAGGSA-N 1 1 339.277 3.290 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646392 454948462 /nfs/dbraw/zinc/94/84/62/454948462.db2.gz OEEUGYHNOZCTDD-INIZCTEOSA-N 1 1 334.460 3.498 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000179555262 455057607 /nfs/dbraw/zinc/05/76/07/455057607.db2.gz VALKUAIZBWDUJQ-INIZCTEOSA-N 1 1 326.444 3.090 20 10 EGCDMO CN(C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1)C(=O)OC(C)(C)C ZINC000179561762 455058926 /nfs/dbraw/zinc/05/89/26/455058926.db2.gz VIWJFCCFPPWIGO-HNNXBMFYSA-N 1 1 334.460 3.471 20 10 EGCDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000156259248 455098815 /nfs/dbraw/zinc/09/88/15/455098815.db2.gz IYWJQTDQCVZNLF-YYZBOFOMSA-N 1 1 326.400 3.353 20 10 EGCDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000156259248 455098816 /nfs/dbraw/zinc/09/88/16/455098816.db2.gz IYWJQTDQCVZNLF-YYZBOFOMSA-N 1 1 326.400 3.353 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246103990 455427873 /nfs/dbraw/zinc/42/78/73/455427873.db2.gz JKDSTJIVCJYFLQ-WOJBJXKFSA-N 1 1 330.472 3.057 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246103990 455427876 /nfs/dbraw/zinc/42/78/76/455427876.db2.gz JKDSTJIVCJYFLQ-WOJBJXKFSA-N 1 1 330.472 3.057 20 10 EGCDMO CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185013951 455486845 /nfs/dbraw/zinc/48/68/45/455486845.db2.gz NOUICZSLNRVQGL-QGZVFWFLSA-N 1 1 341.499 3.224 20 10 EGCDMO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(N(C)C)cc2)cc1 ZINC000283932820 455612692 /nfs/dbraw/zinc/61/26/92/455612692.db2.gz JFVHKBOMIPOUAW-HXUWFJFHSA-N 1 1 327.472 3.154 20 10 EGCDMO CCOC(=O)[C@@H](F)C1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000294012872 455802885 /nfs/dbraw/zinc/80/28/85/455802885.db2.gz UKRUEMXXMCHQPV-SFHVURJKSA-N 1 1 334.435 3.010 20 10 EGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)c(O)c1 ZINC000285321142 455823912 /nfs/dbraw/zinc/82/39/12/455823912.db2.gz TWNLMSVDCGYVJF-RYQLBKOJSA-N 1 1 332.488 3.037 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000278525696 455839228 /nfs/dbraw/zinc/83/92/28/455839228.db2.gz TVQWVUDLNBEKOU-HUUCEWRRSA-N 1 1 328.368 3.030 20 10 EGCDMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295741549 455858821 /nfs/dbraw/zinc/85/88/21/455858821.db2.gz MUVHTYFBRDINLX-NRFANRHFSA-N 1 1 346.515 3.286 20 10 EGCDMO C[C@H](c1cc(Cl)ccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000295839886 455860467 /nfs/dbraw/zinc/86/04/67/455860467.db2.gz AKPIBBPMSULRIA-HZSPNIEDSA-N 1 1 344.842 3.388 20 10 EGCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704476 455870916 /nfs/dbraw/zinc/87/09/16/455870916.db2.gz RPZNCTYCFWLTQS-IIBYNOLFSA-N 1 1 339.435 3.439 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCSC[C@H](C)C3)cc2)CC1 ZINC000296167441 455870966 /nfs/dbraw/zinc/87/09/66/455870966.db2.gz ZFQAJQPMZBGRCP-MRXNPFEDSA-N 1 1 334.529 3.487 20 10 EGCDMO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(OCc2ccccc2)cc1O ZINC000187838987 455960360 /nfs/dbraw/zinc/96/03/60/455960360.db2.gz SKUQPHLTXFXWMD-IZHWHUGBSA-N 1 1 347.480 3.170 20 10 EGCDMO C[C@H](c1ccc(N(C)C)cc1)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296637765 455997209 /nfs/dbraw/zinc/99/72/09/455997209.db2.gz XVTCDXJLHHOPRE-SOLBZPMBSA-N 1 1 337.467 3.095 20 10 EGCDMO CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174952 456062611 /nfs/dbraw/zinc/06/26/11/456062611.db2.gz UTZSDHJRTRZQNN-INIZCTEOSA-N 1 1 339.911 3.112 20 10 EGCDMO COc1cc(O)c(CNC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1OC ZINC000280849962 456065785 /nfs/dbraw/zinc/06/57/85/456065785.db2.gz ZLVLUGPFBAVCJK-KRWDZBQOSA-N 1 1 348.487 3.296 20 10 EGCDMO COc1cc(O)c(C[NH2+]C[C@@H]2CCCN2C2CCCCC2)cc1OC ZINC000280849962 456065788 /nfs/dbraw/zinc/06/57/88/456065788.db2.gz ZLVLUGPFBAVCJK-KRWDZBQOSA-N 1 1 348.487 3.296 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)CCCOCc2ccccc2)cc1OC ZINC000281213573 456166236 /nfs/dbraw/zinc/16/62/36/456166236.db2.gz JWLQVOPWNINKEI-UHFFFAOYSA-N 1 1 345.439 3.448 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO[C@H]2C(C)C)c1 ZINC000273447719 456231346 /nfs/dbraw/zinc/23/13/46/456231346.db2.gz FIJDGGAGJFZZJA-YEWWUXTCSA-N 1 1 335.444 3.281 20 10 EGCDMO C[C@@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1ccc(F)cc1O ZINC000273464272 456233179 /nfs/dbraw/zinc/23/31/79/456233179.db2.gz DKTRTRIMPQSKTR-GFCCVEGCSA-N 1 1 328.387 3.274 20 10 EGCDMO C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(N)cc2)[C@@H]1c1cccs1 ZINC000237123938 456235935 /nfs/dbraw/zinc/23/59/35/456235935.db2.gz LTOGDPFAHOUYBF-DNVCBOLYSA-N 1 1 343.496 3.072 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CCCO)c2ccccc2)c1 ZINC000273593454 456241564 /nfs/dbraw/zinc/24/15/64/456241564.db2.gz PYBOSNAYYFTFFT-KSSFIOAISA-N 1 1 343.423 3.343 20 10 EGCDMO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291640415 456705390 /nfs/dbraw/zinc/70/53/90/456705390.db2.gz TUUVRYXZWFXEAA-CYBMUJFWSA-N 1 1 338.404 3.089 20 10 EGCDMO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1O)[C@@H]1CCOC(C)(C)C1 ZINC000291640415 456705394 /nfs/dbraw/zinc/70/53/94/456705394.db2.gz TUUVRYXZWFXEAA-CYBMUJFWSA-N 1 1 338.404 3.089 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000283536030 456798785 /nfs/dbraw/zinc/79/87/85/456798785.db2.gz GSNSBQJINVRVFH-RDJZCZTQSA-N 1 1 345.487 3.329 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1OC ZINC000292096110 456853626 /nfs/dbraw/zinc/85/36/26/456853626.db2.gz OKFOTGVBFXHWCY-GOSISDBHSA-N 1 1 328.412 3.388 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@H]2c2cccnc2)cc1OC ZINC000292096110 456853628 /nfs/dbraw/zinc/85/36/28/456853628.db2.gz OKFOTGVBFXHWCY-GOSISDBHSA-N 1 1 328.412 3.388 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000352122907 457340503 /nfs/dbraw/zinc/34/05/03/457340503.db2.gz UNMRKDUNGWCGSH-FQEVSTJZSA-N 1 1 347.462 3.377 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000352122907 457340508 /nfs/dbraw/zinc/34/05/08/457340508.db2.gz UNMRKDUNGWCGSH-FQEVSTJZSA-N 1 1 347.462 3.377 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000373880471 457383209 /nfs/dbraw/zinc/38/32/09/457383209.db2.gz XOSPPRCZDZFRIO-JOCQHMNTSA-N 1 1 346.358 3.484 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)c1O ZINC000374994928 457747744 /nfs/dbraw/zinc/74/77/44/457747744.db2.gz BNZLLGAWNGTRNF-OLZOCXBDSA-N 1 1 340.261 3.322 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1)OCO2 ZINC000362389246 458146460 /nfs/dbraw/zinc/14/64/60/458146460.db2.gz NBVJNSOGBDQUTE-UZLBHIALSA-N 1 1 341.407 3.209 20 10 EGCDMO CC[N@H+]1C[C@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@H]1C ZINC000472222347 458775327 /nfs/dbraw/zinc/77/53/27/458775327.db2.gz HWJGDGSIEDFYLG-CABCVRRESA-N 1 1 342.487 3.111 20 10 EGCDMO COc1ccc(N2CCC([NH2+]Cc3n[nH]c4ccccc43)CC2)cc1 ZINC000727470117 574669769 /nfs/dbraw/zinc/66/97/69/574669769.db2.gz BSGNSZGBFXMNSP-UHFFFAOYSA-N 1 1 336.439 3.330 20 10 EGCDMO C[NH+](C)C(C)(C)CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727642766 574680398 /nfs/dbraw/zinc/68/03/98/574680398.db2.gz LAJOGXNIWIGIEQ-UHFFFAOYSA-N 1 1 334.464 3.015 20 10 EGCDMO CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000729535229 574869108 /nfs/dbraw/zinc/86/91/08/574869108.db2.gz NMJQNAUISQQYLL-IFXJQAMLSA-N 1 1 342.439 3.271 20 10 EGCDMO Cc1ccc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccccc2O)cc1C ZINC000731843420 575211963 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Cc1cc(C[N@@H+]2CC[C@H](C)[S@@](=O)CC2)ccc1N1CCCCC1 ZINC000829234413 1292556639 /nfs/dbraw/zinc/55/66/39/1292556639.db2.gz NMLFODKZAPKDIF-SBUREZEXSA-N 1 1 334.529 3.328 20 10 EGCDMO COCC[C@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829979541 1292650161 /nfs/dbraw/zinc/65/01/61/1292650161.db2.gz GPFVGVGEBZKNAO-IBGZPJMESA-N 1 1 332.488 3.223 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000093414270 1292919975 /nfs/dbraw/zinc/91/99/75/1292919975.db2.gz WYMWUDBHENZCLM-INIZCTEOSA-N 1 1 340.533 3.178 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC)cc1 ZINC000093414270 1292919984 /nfs/dbraw/zinc/91/99/84/1292919984.db2.gz WYMWUDBHENZCLM-INIZCTEOSA-N 1 1 340.533 3.178 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000110656972 1293099565 /nfs/dbraw/zinc/09/95/65/1293099565.db2.gz QSIZHBOEZHEBSJ-INIZCTEOSA-N 1 1 325.456 3.307 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@]2(C)CC2(Cl)Cl)c1 ZINC000834885287 1293163797 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CC[N@H+]1CCN(C(=O)c2sccc2-n2c(C)ccc2C)[C@@H](C)C1 ZINC000804380192 1317226849 /nfs/dbraw/zinc/22/68/49/1317226849.db2.gz TWUGBHDOBDVFQI-HNNXBMFYSA-N 1 1 331.485 3.322 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805074128 1317314725 /nfs/dbraw/zinc/31/47/25/1317314725.db2.gz CTZKSSHIVKOBQU-SNVBAGLBSA-N 1 1 348.274 3.229 20 10 EGCDMO CC[C@@H](C)[N@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805074128 1317314732 /nfs/dbraw/zinc/31/47/32/1317314732.db2.gz CTZKSSHIVKOBQU-SNVBAGLBSA-N 1 1 348.274 3.229 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805074128 1317314741 /nfs/dbraw/zinc/31/47/41/1317314741.db2.gz CTZKSSHIVKOBQU-SNVBAGLBSA-N 1 1 348.274 3.229 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]([C@@H](C)CO)C2CCCC2)c1O ZINC000805751711 1317418567 /nfs/dbraw/zinc/41/85/67/1317418567.db2.gz OLZRIGWKUWVPGW-NSHDSACASA-N 1 1 325.836 3.374 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]([C@@H](C)CO)C2CCCC2)c1O ZINC000805751711 1317418571 /nfs/dbraw/zinc/41/85/71/1317418571.db2.gz OLZRIGWKUWVPGW-NSHDSACASA-N 1 1 325.836 3.374 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000808210153 1317645271 /nfs/dbraw/zinc/64/52/71/1317645271.db2.gz RMQMCVDBMPQAAD-INIZCTEOSA-N 1 1 344.499 3.442 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)[C@H]1c1cccs1 ZINC000808221653 1317646171 /nfs/dbraw/zinc/64/61/71/1317646171.db2.gz BQHOPKRCVVFZPO-YOEHRIQHSA-N 1 1 331.437 3.463 20 10 EGCDMO Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000903163557 1317666097 /nfs/dbraw/zinc/66/60/97/1317666097.db2.gz DLNPXCHCLDXECW-JTQLQIEISA-N 1 1 331.313 3.406 20 10 EGCDMO NC1(C[NH2+]Cc2ccc(N3CCCCC3)c(Br)c2)CC1 ZINC000904445633 1317848173 /nfs/dbraw/zinc/84/81/73/1317848173.db2.gz YSYJHJYVRYWENA-UHFFFAOYSA-N 1 1 338.293 3.020 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)CC[C@H]1O ZINC000809644271 1317855382 /nfs/dbraw/zinc/85/53/82/1317855382.db2.gz GGLGIXYCQOJIMJ-HTAPYJJXSA-N 1 1 336.479 3.452 20 10 EGCDMO CCOc1ccc(C[N@H+](CCN(C)C)Cc2ccccc2)c(O)c1 ZINC000809727973 1317880195 /nfs/dbraw/zinc/88/01/95/1317880195.db2.gz FSUROTXGNKJSFQ-UHFFFAOYSA-N 1 1 328.456 3.355 20 10 EGCDMO CCOc1ccc(C[N@@H+](CCN(C)C)Cc2ccccc2)c(O)c1 ZINC000809727973 1317880199 /nfs/dbraw/zinc/88/01/99/1317880199.db2.gz FSUROTXGNKJSFQ-UHFFFAOYSA-N 1 1 328.456 3.355 20 10 EGCDMO C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)CC1 ZINC000809755170 1317891655 /nfs/dbraw/zinc/89/16/55/1317891655.db2.gz GWKLJNKJSNKVDA-ZDUSSCGKSA-N 1 1 326.843 3.348 20 10 EGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000809757277 1317893140 /nfs/dbraw/zinc/89/31/40/1317893140.db2.gz YCJYEYPTYUDUIT-UHFFFAOYSA-N 1 1 331.460 3.462 20 10 EGCDMO C[C@]1(CCCO)CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000809757990 1317894051 /nfs/dbraw/zinc/89/40/51/1317894051.db2.gz YXCBUXAAWXGUFU-OAHLLOKOSA-N 1 1 328.250 3.282 20 10 EGCDMO CC[C@H](CSC)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809767176 1317896184 /nfs/dbraw/zinc/89/61/84/1317896184.db2.gz GRSGGFYLDKVWDO-OAHLLOKOSA-N 1 1 326.481 3.236 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](CCNC(C)=O)C2)cc1F ZINC000809777946 1317897325 /nfs/dbraw/zinc/89/73/25/1317897325.db2.gz JKEABBVLSXYQPP-KRWDZBQOSA-N 1 1 349.494 3.410 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)cc1F ZINC000811511833 1318190519 /nfs/dbraw/zinc/19/05/19/1318190519.db2.gz VTUYTZHJZWUEHC-MRXNPFEDSA-N 1 1 349.450 3.135 20 10 EGCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000811931528 1318291718 /nfs/dbraw/zinc/29/17/18/1318291718.db2.gz LTSXBCOGSUEJNM-HNNXBMFYSA-N 1 1 347.503 3.191 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)[C@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000812834259 1318467454 /nfs/dbraw/zinc/46/74/54/1318467454.db2.gz BFAKPFNUKMDTAZ-GOSISDBHSA-N 1 1 347.503 3.488 20 10 EGCDMO Cc1cc(C[N@@H+](C)Cc2cn(C)nc2C(F)(F)F)ccc1N(C)C ZINC000815074159 1318883740 /nfs/dbraw/zinc/88/37/40/1318883740.db2.gz KKJKYGNFVGQGEM-UHFFFAOYSA-N 1 1 340.393 3.445 20 10 EGCDMO Cc1cc(C[N@H+]2CCCC[C@@H]2COC(=O)NC2CC2)ccc1N(C)C ZINC000815121278 1318899016 /nfs/dbraw/zinc/89/90/16/1318899016.db2.gz YZHOLXDNABKGTH-GOSISDBHSA-N 1 1 345.487 3.304 20 10 EGCDMO CC(=O)c1cc(Cl)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000815143690 1318908927 /nfs/dbraw/zinc/90/89/27/1318908927.db2.gz CJMYBKNRBYQPLQ-GOSISDBHSA-N 1 1 336.863 3.166 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(O)CCCC2(C)C)c1 ZINC000815146617 1318912041 /nfs/dbraw/zinc/91/20/41/1318912041.db2.gz HWCNVTRDCMKXFC-INIZCTEOSA-N 1 1 342.277 3.494 20 10 EGCDMO Oc1c(C[NH+]2CCC(CN3CCOCC3)CC2)ccc2ccccc21 ZINC000816485905 1319164725 /nfs/dbraw/zinc/16/47/25/1319164725.db2.gz FFXOSFQIBCUKMJ-UHFFFAOYSA-N 1 1 340.467 3.090 20 10 EGCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816487399 1319164823 /nfs/dbraw/zinc/16/48/23/1319164823.db2.gz LZYYISWTQFNVGY-MRXNPFEDSA-N 1 1 328.412 3.256 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816514064 1319170558 /nfs/dbraw/zinc/17/05/58/1319170558.db2.gz LHUJBWSPLACPOD-KRWDZBQOSA-N 1 1 343.423 3.088 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)CCO1 ZINC000816514064 1319170559 /nfs/dbraw/zinc/17/05/59/1319170559.db2.gz LHUJBWSPLACPOD-KRWDZBQOSA-N 1 1 343.423 3.088 20 10 EGCDMO C[C@H]1CN(CCC[NH2+]Cc2ccc3ccccc3c2O)CCCO1 ZINC000816592584 1319190370 /nfs/dbraw/zinc/19/03/70/1319190370.db2.gz OBLRDDHYRQDEMZ-INIZCTEOSA-N 1 1 328.456 3.136 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccc(Cl)cc3)C1)OCO2 ZINC000816659670 1319203646 /nfs/dbraw/zinc/20/36/46/1319203646.db2.gz WNMGWYVPKTUHAX-HNNXBMFYSA-N 1 1 347.798 3.428 20 10 EGCDMO COC[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000817939281 1319465933 /nfs/dbraw/zinc/46/59/33/1319465933.db2.gz AYKCILYNDBYFCA-RBUKOAKNSA-N 1 1 347.890 3.383 20 10 EGCDMO C[C@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cnn(-c2ccccc2)c1 ZINC000817938641 1319466802 /nfs/dbraw/zinc/46/68/02/1319466802.db2.gz OTFHQGMKORQCOI-KKSFZXQISA-N 1 1 349.482 3.289 20 10 EGCDMO CC[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc2c(c1)CCO2 ZINC000817938587 1319466899 /nfs/dbraw/zinc/46/68/99/1319466899.db2.gz NPQRMZISORFZEM-WOJBJXKFSA-N 1 1 339.483 3.428 20 10 EGCDMO C[C@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938836 1319467117 /nfs/dbraw/zinc/46/71/17/1319467117.db2.gz UIIFZQGTGGQXOF-MGPUTAFESA-N 1 1 326.488 3.169 20 10 EGCDMO Cc1c([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940780 1319468145 /nfs/dbraw/zinc/46/81/45/1319468145.db2.gz HSQJJYZOLPSFDT-KUHUBIRLSA-N 1 1 343.519 3.363 20 10 EGCDMO CCc1nc(C)c([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942742 1319470843 /nfs/dbraw/zinc/47/08/43/1319470843.db2.gz QSMLQSSXPRAOKL-LRDDRELGSA-N 1 1 332.517 3.431 20 10 EGCDMO Cc1cc(Br)cc([C@@H](C)[NH2+]C[C@H]2CCCCN2)c1O ZINC000817949658 1319473162 /nfs/dbraw/zinc/47/31/62/1319473162.db2.gz LNMMHJVWBGYLSK-DGCLKSJQSA-N 1 1 327.266 3.256 20 10 EGCDMO C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817965187 1319479101 /nfs/dbraw/zinc/47/91/01/1319479101.db2.gz RBHOBCNBPRZFKJ-LLVKDONJSA-N 1 1 327.266 3.195 20 10 EGCDMO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1[O-] ZINC000817979920 1319484088 /nfs/dbraw/zinc/48/40/88/1319484088.db2.gz FZBGGSHWUXMOIM-YPMHNXCESA-N 1 1 327.266 3.338 20 10 EGCDMO Cc1cc(C(=O)CN2CCC[N@H+](C)CC2)c(C)n1-c1ccc(C)cc1 ZINC000916645234 1319690967 /nfs/dbraw/zinc/69/09/67/1319690967.db2.gz YPBZXXLSONYYRW-UHFFFAOYSA-N 1 1 339.483 3.223 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000819636643 1319765636 /nfs/dbraw/zinc/76/56/36/1319765636.db2.gz GWOZIZTXXAWQHC-UHFFFAOYSA-N 1 1 331.485 3.322 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000819636643 1319765640 /nfs/dbraw/zinc/76/56/40/1319765640.db2.gz GWOZIZTXXAWQHC-UHFFFAOYSA-N 1 1 331.485 3.322 20 10 EGCDMO COc1cc(C[N@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)c(O)cc1C ZINC000819901503 1319797129 /nfs/dbraw/zinc/79/71/29/1319797129.db2.gz BSBCZUYFXCMQHT-IBGZPJMESA-N 1 1 331.456 3.490 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000823045208 1320149272 /nfs/dbraw/zinc/14/92/72/1320149272.db2.gz TYIQEDUISNEOTI-QGZVFWFLSA-N 1 1 333.476 3.188 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000823662919 1320196425 /nfs/dbraw/zinc/19/64/25/1320196425.db2.gz LPKJJHOFMHNTGL-INIZCTEOSA-N 1 1 342.487 3.128 20 10 EGCDMO CCC[N@@H+](CC(N)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000824426850 1320256633 /nfs/dbraw/zinc/25/66/33/1320256633.db2.gz DOEGBQTUONAYIR-UHFFFAOYSA-N 1 1 331.485 3.082 20 10 EGCDMO O=C1CC[C@H]2C[N@@H+](Cc3cc(-c4ccccc4)ccc3O)CC[C@H]2N1 ZINC000827140153 1320429756 /nfs/dbraw/zinc/42/97/56/1320429756.db2.gz IJZAATKSLBWYNJ-PKOBYXMFSA-N 1 1 336.435 3.160 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[NH+]1CCN(C(=O)c2ccsc2)CC1 ZINC000840911686 1321175293 /nfs/dbraw/zinc/17/52/93/1321175293.db2.gz MSIDBPJDYAXPIP-UHFFFAOYSA-N 1 1 343.496 3.081 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000840909918 1321175773 /nfs/dbraw/zinc/17/57/73/1321175773.db2.gz NAPCERPMMTZSLQ-GOSISDBHSA-N 1 1 349.482 3.483 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000840948356 1321183968 /nfs/dbraw/zinc/18/39/68/1321183968.db2.gz UBBVHTMMIPSKQS-NRFANRHFSA-N 1 1 339.483 3.240 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956352 1321185827 /nfs/dbraw/zinc/18/58/27/1321185827.db2.gz RBQGWPOWSAXGHO-ZBFHGGJFSA-N 1 1 348.240 3.463 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000840956352 1321185830 /nfs/dbraw/zinc/18/58/30/1321185830.db2.gz RBQGWPOWSAXGHO-ZBFHGGJFSA-N 1 1 348.240 3.463 20 10 EGCDMO CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O)CC(F)(F)F ZINC000840959993 1321187468 /nfs/dbraw/zinc/18/74/68/1321187468.db2.gz AEYQSNZEBJKXRI-VIFPVBQESA-N 1 1 336.310 3.377 20 10 EGCDMO C[C@@H](NCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1 ZINC000841034054 1321205036 /nfs/dbraw/zinc/20/50/36/1321205036.db2.gz VXAZIZRGYIGZPX-WBVHZDCISA-N 1 1 346.475 3.063 20 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ZINC001138354320 1377708223 /nfs/dbraw/zinc/70/82/23/1377708223.db2.gz FCCUEEDNRBNLCT-UHFFFAOYSA-N 1 1 338.451 3.472 20 10 EGCDMO CN1CCCc2cc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)ccc21 ZINC001138354217 1377708750 /nfs/dbraw/zinc/70/87/50/1377708750.db2.gz BDRUXPNBYVGJTD-QGZVFWFLSA-N 1 1 342.405 3.348 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCc3cccnc3C2)c(OC)c1 ZINC001138388942 1377714140 /nfs/dbraw/zinc/71/41/40/1377714140.db2.gz BSUJCNKEASQDFR-UHFFFAOYSA-N 1 1 325.456 3.495 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCc3cccnc3C2)c(OC)c1 ZINC001138388942 1377714141 /nfs/dbraw/zinc/71/41/41/1377714141.db2.gz BSUJCNKEASQDFR-UHFFFAOYSA-N 1 1 325.456 3.495 20 10 EGCDMO Cc1cccc2c1CC[N@@H+](Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC001139404680 1377880121 /nfs/dbraw/zinc/88/01/21/1377880121.db2.gz VSHZPZCQUDSEPA-UHFFFAOYSA-N 1 1 335.495 3.305 20 10 EGCDMO Cc1cccc2c1CC[N@H+](Cc1ccc(N3CCN(C)CC3)cc1)C2 ZINC001139404680 1377880122 /nfs/dbraw/zinc/88/01/22/1377880122.db2.gz VSHZPZCQUDSEPA-UHFFFAOYSA-N 1 1 335.495 3.305 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)Cc1ccccc1-n1cncn1 ZINC001139421384 1377881162 /nfs/dbraw/zinc/88/11/62/1377881162.db2.gz IRRRMPDNWKKITJ-UHFFFAOYSA-N 1 1 347.466 3.500 20 10 EGCDMO Cc1cc(C[N@H+]2C[C@@H]3[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)ccc1N(C)C ZINC001139669922 1377930398 /nfs/dbraw/zinc/93/03/98/1377930398.db2.gz DQOZZAJQXDVFRU-ALXJQNPVSA-N 1 1 345.487 3.016 20 10 EGCDMO COc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)nc1 ZINC001139673538 1377931354 /nfs/dbraw/zinc/93/13/54/1377931354.db2.gz DMZBVNNWOOREDT-GOSISDBHSA-N 1 1 341.455 3.118 20 10 EGCDMO C[C@H]1CC[N@@H+](Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001140058367 1377998348 /nfs/dbraw/zinc/99/83/48/1377998348.db2.gz XTCUFSZGGOUHPJ-ZDUSSCGKSA-N 1 1 338.423 3.363 20 10 EGCDMO CC1(C)[N@@H+](Cc2cc(F)ccc2O)CC[C@]12C(=O)Oc1ccccc12 ZINC001140060133 1377998582 /nfs/dbraw/zinc/99/85/82/1377998582.db2.gz LXPPCTFPQKVRJY-FQEVSTJZSA-N 1 1 341.382 3.373 20 10 EGCDMO Oc1ccc(F)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC001140060276 1377998616 /nfs/dbraw/zinc/99/86/16/1377998616.db2.gz SUVYUWQWLFOQGJ-PKOBYXMFSA-N 1 1 340.442 3.485 20 10 EGCDMO C[N@@H+](Cc1cncc(Br)c1)Cc1cc(F)ccc1O ZINC001140063180 1377998955 /nfs/dbraw/zinc/99/89/55/1377998955.db2.gz MMPJVSUAYFBERM-UHFFFAOYSA-N 1 1 325.181 3.321 20 10 EGCDMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1O ZINC001140063087 1377999197 /nfs/dbraw/zinc/99/91/97/1377999197.db2.gz KEVJEVSVSYFAQX-GASCZTMLSA-N 1 1 336.407 3.115 20 10 EGCDMO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(F)ccc1O ZINC001140063087 1377999199 /nfs/dbraw/zinc/99/91/99/1377999199.db2.gz KEVJEVSVSYFAQX-GASCZTMLSA-N 1 1 336.407 3.115 20 10 EGCDMO COC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1c(C)ccc(C)c1O ZINC001140182520 1378026992 /nfs/dbraw/zinc/02/69/92/1378026992.db2.gz UDSLZLIOCWARTH-SFHVURJKSA-N 1 1 325.408 3.109 20 10 EGCDMO COC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1c(C)ccc(C)c1O ZINC001140182520 1378026993 /nfs/dbraw/zinc/02/69/93/1378026993.db2.gz UDSLZLIOCWARTH-SFHVURJKSA-N 1 1 325.408 3.109 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2c(C)ccc(C)c2O)Cc2c1cnn2CC ZINC001140181985 1378027224 /nfs/dbraw/zinc/02/72/24/1378027224.db2.gz ZDNGDYLGVCOSHB-INIZCTEOSA-N 1 1 343.471 3.361 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@H](N3Cc4ccccc4C3=O)C2)c1O ZINC001140185196 1378028075 /nfs/dbraw/zinc/02/80/75/1378028075.db2.gz RIGRDTJAFORLKR-KRWDZBQOSA-N 1 1 336.435 3.239 20 10 EGCDMO COc1ccc(O[C@@H]2CCC[N@@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140185426 1378028500 /nfs/dbraw/zinc/02/85/00/1378028500.db2.gz VCPLEANMNIPAAF-QGZVFWFLSA-N 1 1 342.439 3.456 20 10 EGCDMO COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(O)cccc1Cl)C2 ZINC001140340129 1378048852 /nfs/dbraw/zinc/04/88/52/1378048852.db2.gz ROBBDRWWWYEZCO-KDOFPFPSSA-N 1 1 339.863 3.453 20 10 EGCDMO Oc1cccc(Cl)c1C[N@@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001140339233 1378049628 /nfs/dbraw/zinc/04/96/28/1378049628.db2.gz GFYDCNMBJMBEPB-CGTJXYLNSA-N 1 1 337.847 3.204 20 10 EGCDMO Oc1cccc(Cl)c1C[N@H+]1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001140339233 1378049629 /nfs/dbraw/zinc/04/96/29/1378049629.db2.gz GFYDCNMBJMBEPB-CGTJXYLNSA-N 1 1 337.847 3.204 20 10 EGCDMO C[N@@H+](Cc1ccc(Cl)cc1O)C1CN(C(=O)OC(C)(C)C)C1 ZINC001140465624 1378067898 /nfs/dbraw/zinc/06/78/98/1378067898.db2.gz OIMBSKJGHZPXKE-UHFFFAOYSA-N 1 1 326.824 3.097 20 10 EGCDMO COc1cccnc1O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140464357 1378067967 /nfs/dbraw/zinc/06/79/67/1378067967.db2.gz MMLUPDXRNXOBSA-OAHLLOKOSA-N 1 1 348.830 3.493 20 10 EGCDMO CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3O)C2)C1=O ZINC001140464941 1378068024 /nfs/dbraw/zinc/06/80/24/1378068024.db2.gz FLVMOUYIQFRHMG-IBGZPJMESA-N 1 1 342.826 3.166 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3cc(F)cc(OC)c3)CC2)cc1 ZINC001140478531 1378069397 /nfs/dbraw/zinc/06/93/97/1378069397.db2.gz VLBLUUSAOIMTTE-UHFFFAOYSA-N 1 1 330.403 3.165 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](C3CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001140619286 1378098702 /nfs/dbraw/zinc/09/87/02/1378098702.db2.gz AEPBVQVIMPSVDK-HNNXBMFYSA-N 1 1 346.471 3.389 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCCC23CN(C(=O)OC(C)(C)C)C3)c1 ZINC001140619884 1378099372 /nfs/dbraw/zinc/09/93/72/1378099372.db2.gz TUTJJYQZPQMBLQ-UHFFFAOYSA-N 1 1 332.444 3.286 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](N3Cc4ccccc4NC3=O)C2)c1 ZINC001140624038 1378100433 /nfs/dbraw/zinc/10/04/33/1378100433.db2.gz DCNSOYWJUDOYOC-KRWDZBQOSA-N 1 1 337.423 3.323 20 10 EGCDMO Cc1c(O)ccc(C[N@@H+]2CCN(Cc3ccccc3)C[C@@H]2C)c1O ZINC001140745537 1378128345 /nfs/dbraw/zinc/12/83/45/1378128345.db2.gz KCYJEQKJCNDUQI-HNNXBMFYSA-N 1 1 326.440 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC001140745537 1378128347 /nfs/dbraw/zinc/12/83/47/1378128347.db2.gz KCYJEQKJCNDUQI-HNNXBMFYSA-N 1 1 326.440 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1O ZINC001140745537 1378128349 /nfs/dbraw/zinc/12/83/49/1378128349.db2.gz KCYJEQKJCNDUQI-HNNXBMFYSA-N 1 1 326.440 3.113 20 10 EGCDMO Cc1c(O)ccc(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1O ZINC001140749575 1378129224 /nfs/dbraw/zinc/12/92/24/1378129224.db2.gz FNTQCPWQRQLDMR-HKUYNNGSSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1O ZINC001140749575 1378129226 /nfs/dbraw/zinc/12/92/26/1378129226.db2.gz FNTQCPWQRQLDMR-HKUYNNGSSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1O ZINC001140749575 1378129228 /nfs/dbraw/zinc/12/92/28/1378129228.db2.gz FNTQCPWQRQLDMR-HKUYNNGSSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1ccc(N2CC[NH+](Cc3ccc(N(C)C)cc3Cl)CC2)nc1 ZINC001140924043 1378182106 /nfs/dbraw/zinc/18/21/06/1378182106.db2.gz BGILLFAUHOPMAN-UHFFFAOYSA-N 1 1 344.890 3.432 20 10 EGCDMO CC(=O)N1CCCC[C@@]12CC[N@H+](Cc1ccc(N(C)C)cc1Cl)C2 ZINC001140925017 1378182155 /nfs/dbraw/zinc/18/21/55/1378182155.db2.gz YERZQVNEOUGVAY-IBGZPJMESA-N 1 1 349.906 3.383 20 10 EGCDMO CC(=O)N1CC[C@@H]([N@H+](Cc2ccc(N(C)C)cc2Cl)C(C)C)C1 ZINC001140926227 1378183015 /nfs/dbraw/zinc/18/30/15/1378183015.db2.gz ITOJCTKFFHVSRV-QGZVFWFLSA-N 1 1 337.895 3.237 20 10 EGCDMO Cc1ccc(CN2CC[N@H+]3C[C@@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140949872 1378190748 /nfs/dbraw/zinc/19/07/48/1378190748.db2.gz IPQAOEJHHJYUSA-ICSRJNTNSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1ccc(C[N@@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140949872 1378190751 /nfs/dbraw/zinc/19/07/51/1378190751.db2.gz IPQAOEJHHJYUSA-ICSRJNTNSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1ccc(C[N@H+]2CCN3C[C@@H](Oc4ccccc4)C[C@H]3C2)c(O)c1 ZINC001140949872 1378190753 /nfs/dbraw/zinc/19/07/53/1378190753.db2.gz IPQAOEJHHJYUSA-ICSRJNTNSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1ccc(CN2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccc(C)cc2O)o1 ZINC001140952622 1378192008 /nfs/dbraw/zinc/19/20/08/1378192008.db2.gz ZQHCJRHFZBKIRN-MOPGFXCFSA-N 1 1 326.440 3.451 20 10 EGCDMO CCOC(=O)[C@@]1(C)CCCC[N@@H+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140265 1378247704 /nfs/dbraw/zinc/24/77/04/1378247704.db2.gz JWKBHORRTMNCOZ-FQEVSTJZSA-N 1 1 346.471 3.071 20 10 EGCDMO Oc1ccc(O)c(C[N@H+]2CCc3c(Br)cccc3C2)c1 ZINC001141160584 1378254645 /nfs/dbraw/zinc/25/46/45/1378254645.db2.gz FLBUYJALAAXMTN-UHFFFAOYSA-N 1 1 334.213 3.419 20 10 EGCDMO Oc1ccc(O)c(C[N@@H+]2CCc3c(Br)cccc3C2)c1 ZINC001141160584 1378254641 /nfs/dbraw/zinc/25/46/41/1378254641.db2.gz FLBUYJALAAXMTN-UHFFFAOYSA-N 1 1 334.213 3.419 20 10 EGCDMO COc1ccsc1C[NH+]1CCN(c2ccc(OC)cc2C)CC1 ZINC001141329415 1378304138 /nfs/dbraw/zinc/30/41/38/1378304138.db2.gz WBGBMLJNKWRADP-UHFFFAOYSA-N 1 1 332.469 3.396 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3[nH]cnc3C(C)(C)C)CC2)cc1 ZINC001142209914 1378420446 /nfs/dbraw/zinc/42/04/46/1378420446.db2.gz ZFXPJUGFZFVENE-UHFFFAOYSA-N 1 1 328.460 3.038 20 10 EGCDMO CCCc1noc([C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527235 1378453301 /nfs/dbraw/zinc/45/33/01/1378453301.db2.gz PERMJVGVNYBKLV-NSHDSACASA-N 1 1 337.370 3.386 20 10 EGCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)n1 ZINC001142527235 1378453305 /nfs/dbraw/zinc/45/33/05/1378453305.db2.gz PERMJVGVNYBKLV-NSHDSACASA-N 1 1 337.370 3.386 20 10 EGCDMO Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)c1 ZINC001142530833 1378454340 /nfs/dbraw/zinc/45/43/40/1378454340.db2.gz MHIJNHOIZKDWDC-CQSZACIVSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3cc(F)c(F)cc3O)C2)c1 ZINC001142530833 1378454343 /nfs/dbraw/zinc/45/43/43/1378454343.db2.gz MHIJNHOIZKDWDC-CQSZACIVSA-N 1 1 334.366 3.417 20 10 EGCDMO CCOC(=O)c1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001142603390 1378463339 /nfs/dbraw/zinc/46/33/39/1378463339.db2.gz KOUVEWKIUCXGKX-UHFFFAOYSA-N 1 1 341.407 3.223 20 10 EGCDMO COC[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2O)Cc2ncn(C)c21 ZINC001143105530 1378541038 /nfs/dbraw/zinc/54/10/38/1378541038.db2.gz ZKRCDZPCKZQYCX-OAHLLOKOSA-N 1 1 343.471 3.169 20 10 EGCDMO COC[C@H]1C[N@@H+](Cc2cccc(C(C)(C)C)c2O)Cc2ncn(C)c21 ZINC001143105530 1378541042 /nfs/dbraw/zinc/54/10/42/1378541042.db2.gz ZKRCDZPCKZQYCX-OAHLLOKOSA-N 1 1 343.471 3.169 20 10 EGCDMO COCC1CC[NH+](Cc2cc(Br)c(F)cc2O)CC1 ZINC001144298549 1378711912 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COc1ccc(N2CCC[N@@H+](Cc3nc(C)sc3C)CC2)cc1 ZINC001319414560 1386110638 /nfs/dbraw/zinc/11/06/38/1386110638.db2.gz CGKYQAOZVAXUNS-UHFFFAOYSA-N 1 1 331.485 3.481 20 10 EGCDMO OC[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1ccc(F)cc1F ZINC001346855692 1390982662 /nfs/dbraw/zinc/98/26/62/1390982662.db2.gz RYJMBKOVHSIWMI-LJQANCHMSA-N 1 1 332.394 3.388 20 10 EGCDMO COCn1ncc(C)c1C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC001351961330 1391725309 /nfs/dbraw/zinc/72/53/09/1391725309.db2.gz PBRWNIBGIQMPFC-UHFFFAOYSA-N 1 1 329.444 3.446 20 10 EGCDMO Nc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)Nc2ccccc2)cc1 ZINC001352790117 1391849713 /nfs/dbraw/zinc/84/97/13/1391849713.db2.gz OTVGTPPHRLCDBC-IBGZPJMESA-N 1 1 338.455 3.445 20 10 EGCDMO C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593265082 994569878 /nfs/dbraw/zinc/56/98/78/994569878.db2.gz OVRCFRIRBCIIET-OAHLLOKOSA-N 1 1 342.439 3.263 20 10 EGCDMO C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593265082 994569883 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C[C@@H]([NH2+]C[C@H](c1ccccc1)N1CCOCC1)c1ccc(F)cc1O ZINC000184919225 455472392 /nfs/dbraw/zinc/47/23/92/455472392.db2.gz ZJKPOQJSATZGPZ-DNVCBOLYSA-N 1 1 344.430 3.255 20 10 EGCDMO CCCn1ccnc1CCC[N@@H+](C)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000191485190 455489948 /nfs/dbraw/zinc/48/99/48/455489948.db2.gz IPFWCPWXSFMQQC-UHFFFAOYSA-N 1 1 347.434 3.405 20 10 EGCDMO Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2O)cn1 ZINC000185084204 455499396 /nfs/dbraw/zinc/49/93/96/455499396.db2.gz XVGFGWBPUMMWGJ-GFCCVEGCSA-N 1 1 326.375 3.271 20 10 EGCDMO CCOc1cccc(C[N@H+](C)CC(=O)Nc2cccc(C)c2C)c1O ZINC000161532557 455578513 /nfs/dbraw/zinc/57/85/13/455578513.db2.gz BFGSAYHQJVITGP-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)CC(=O)Nc2cccc(C)c2C)c1O ZINC000161532557 455578516 /nfs/dbraw/zinc/57/85/16/455578516.db2.gz BFGSAYHQJVITGP-UHFFFAOYSA-N 1 1 342.439 3.478 20 10 EGCDMO CC(C)N1CC[C@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1=O ZINC000192998212 455732866 /nfs/dbraw/zinc/73/28/66/455732866.db2.gz 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C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423773 455968893 /nfs/dbraw/zinc/96/88/93/455968893.db2.gz IWIWDKXIICRVDT-OHUAYANFSA-N 1 1 346.254 3.467 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423773 455968897 /nfs/dbraw/zinc/96/88/97/455968897.db2.gz IWIWDKXIICRVDT-OHUAYANFSA-N 1 1 346.254 3.467 20 10 EGCDMO C[C@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1ccc(F)cc1O ZINC000287504419 456071471 /nfs/dbraw/zinc/07/14/71/456071471.db2.gz YSFFVWQMSVRYNE-KBPBESRZSA-N 1 1 346.402 3.192 20 10 EGCDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271050141 456113128 /nfs/dbraw/zinc/11/31/28/456113128.db2.gz UZGNSLUHKCPJGW-UHFFFAOYSA-N 1 1 341.839 3.258 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c(O)c1 ZINC000289842872 456152583 /nfs/dbraw/zinc/15/25/83/456152583.db2.gz URFDHICOBAIFDZ-ZFWWWQNUSA-N 1 1 347.377 3.174 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000271180303 456157744 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EGCDMO COC(=O)CC[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000297543485 456247159 /nfs/dbraw/zinc/24/71/59/456247159.db2.gz QFMCQDXPEIURDX-UHFFFAOYSA-N 1 1 348.487 3.075 20 10 EGCDMO CCOCCCN1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)[C@H](C)C1 ZINC000297549393 456249181 /nfs/dbraw/zinc/24/91/81/456249181.db2.gz FOGDUNIPKURBRW-NJAFHUGGSA-N 1 1 332.488 3.106 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1O ZINC000290413026 456320803 /nfs/dbraw/zinc/32/08/03/456320803.db2.gz KEASXTNTRFNUDI-INIZCTEOSA-N 1 1 337.423 3.415 20 10 EGCDMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000290484530 456340877 /nfs/dbraw/zinc/34/08/77/456340877.db2.gz XMXHEBBJDXLSET-NRFANRHFSA-N 1 1 340.467 3.079 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+](C)CCCn2ccnc2)c1O ZINC000290501730 456345783 /nfs/dbraw/zinc/34/57/83/456345783.db2.gz PFIFXXKMOVGYHH-UHFFFAOYSA-N 1 1 338.249 3.182 20 10 EGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291298039 456595854 /nfs/dbraw/zinc/59/58/54/456595854.db2.gz QHSHSHOPRDASRF-VIFPVBQESA-N 1 1 326.170 3.149 20 10 EGCDMO [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000291298039 456595858 /nfs/dbraw/zinc/59/58/58/456595858.db2.gz QHSHSHOPRDASRF-VIFPVBQESA-N 1 1 326.170 3.149 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291764984 456749161 /nfs/dbraw/zinc/74/91/61/456749161.db2.gz VCAMNANLTQTGCA-UHFFFAOYSA-N 1 1 343.427 3.028 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2c2cccc(C)n2)ccc1[N+](=O)[O-] ZINC000373907302 457395251 /nfs/dbraw/zinc/39/52/51/457395251.db2.gz FZMIXPCIPWTPTJ-HNNXBMFYSA-N 1 1 343.383 3.350 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000375039275 457767507 /nfs/dbraw/zinc/76/75/07/457767507.db2.gz MPKFCVXPMLTEEW-LJQANCHMSA-N 1 1 331.387 3.024 20 10 EGCDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1c(C)c2ccccc2n1C ZINC000573174617 459636209 /nfs/dbraw/zinc/63/62/09/459636209.db2.gz BYJFFQWJLCVEJU-OAHLLOKOSA-N 1 1 344.503 3.406 20 10 EGCDMO COCCC1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000529638657 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CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1[O-] ZINC000274755636 456264766 /nfs/dbraw/zinc/26/47/66/456264766.db2.gz ITSWASMENTZEKY-OAHLLOKOSA-N 1 1 339.277 3.457 20 10 EGCDMO COc1cccc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c1O ZINC000290334024 456295213 /nfs/dbraw/zinc/29/52/13/456295213.db2.gz DXPBKCATBGAJMM-UHFFFAOYSA-N 1 1 330.428 3.090 20 10 EGCDMO CC[C@@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000290336968 456297836 /nfs/dbraw/zinc/29/78/36/456297836.db2.gz FDGJGYSESHJFLO-AWEZNQCLSA-N 1 1 331.372 3.287 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1cc(C)no1 ZINC000282461926 456521881 /nfs/dbraw/zinc/52/18/81/456521881.db2.gz NADZHOIWFOPWQY-AWEZNQCLSA-N 1 1 331.416 3.318 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(c3ccccc3)C2)c1O ZINC000291358300 456619063 /nfs/dbraw/zinc/61/90/63/456619063.db2.gz XZLWDCNEKFROSK-LJQANCHMSA-N 1 1 347.842 3.190 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000283587001 456807536 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Cc1c2ccccc2n(C)c1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000472219726 458775410 /nfs/dbraw/zinc/77/54/10/458775410.db2.gz HLAIIXOHAJKERA-HOCLYGCPSA-N 1 1 342.487 3.111 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)C[C@@H](O)c1cc(OC)ccc1OC ZINC000727830724 574692853 /nfs/dbraw/zinc/69/28/53/574692853.db2.gz JUNSQAUKVJKTJO-LJQANCHMSA-N 1 1 345.439 3.355 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000734520679 575507307 /nfs/dbraw/zinc/50/73/07/575507307.db2.gz JALSTONEHBKQQA-SJORKVTESA-N 1 1 346.519 3.123 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000734654780 575532291 /nfs/dbraw/zinc/53/22/91/575532291.db2.gz YQZWUEQUNURTNP-KRWDZBQOSA-N 1 1 346.519 3.125 20 10 EGCDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000734863483 575564953 /nfs/dbraw/zinc/56/49/53/575564953.db2.gz UWWVFBRLSFQWFP-QGZVFWFLSA-N 1 1 342.414 3.060 20 10 EGCDMO CCCOC(=O)[C@@H](C)[N@H+](CC)Cc1cc(Br)ccc1O ZINC000743874624 576818179 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Oc1c(Br)cccc1C[NH2+]Cc1ccc(Cl)cn1 ZINC000776254972 1304122368 /nfs/dbraw/zinc/12/23/68/1304122368.db2.gz RKZHQOTYDNMLMV-UHFFFAOYSA-N 1 1 327.609 3.493 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000777401879 1304290072 /nfs/dbraw/zinc/29/00/72/1304290072.db2.gz SVQCVKDOLCPTPJ-UHFFFAOYSA-N 1 1 329.410 3.211 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000777612497 1304324949 /nfs/dbraw/zinc/32/49/49/1304324949.db2.gz BECZEEVMNJGZPU-KRWDZBQOSA-N 1 1 342.439 3.201 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c(C)[nH]1 ZINC000777612497 1304324953 /nfs/dbraw/zinc/32/49/53/1304324953.db2.gz BECZEEVMNJGZPU-KRWDZBQOSA-N 1 1 342.439 3.201 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000779003495 1304517477 /nfs/dbraw/zinc/51/74/77/1304517477.db2.gz VCBGOPCXFYPDCK-ZDUSSCGKSA-N 1 1 338.423 3.268 20 10 EGCDMO COc1cc(OC)cc(OCCC[N@@H+](C)Cc2cc(F)ccc2O)c1 ZINC000779028969 1304520283 /nfs/dbraw/zinc/52/02/83/1304520283.db2.gz MSFUOKVDSUSICV-UHFFFAOYSA-N 1 1 349.402 3.449 20 10 EGCDMO Cn1cc([C@H]([NH2+]Cc2ccc3c(c2)CCO3)c2cccc(F)c2)cn1 ZINC000779044729 1304522211 /nfs/dbraw/zinc/52/22/11/1304522211.db2.gz DIODFKBQFHSXGP-HXUWFJFHSA-N 1 1 337.398 3.373 20 10 EGCDMO CN(CC[N@H+](C)Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000779596601 1304585023 /nfs/dbraw/zinc/58/50/23/1304585023.db2.gz JLYUPEHRIUALIN-UHFFFAOYSA-N 1 1 328.840 3.344 20 10 EGCDMO CN(CC[N@@H+](C)Cc1c(O)cccc1Cl)C(=O)OC(C)(C)C ZINC000779596601 1304585026 /nfs/dbraw/zinc/58/50/26/1304585026.db2.gz JLYUPEHRIUALIN-UHFFFAOYSA-N 1 1 328.840 3.344 20 10 EGCDMO CCC1(O)CC[NH+](Cc2cc(C)cc(Br)c2O)CC1 ZINC000781911414 1304890004 /nfs/dbraw/zinc/89/00/04/1304890004.db2.gz MIJAMHBHKPEHFF-UHFFFAOYSA-N 1 1 328.250 3.200 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891854000 1305188704 /nfs/dbraw/zinc/18/87/04/1305188704.db2.gz VONDIVBRGIAXTK-UHFFFAOYSA-N 1 1 346.383 3.427 20 10 EGCDMO COc1ccc(C[NH2+]Cc2nc(C(F)(F)F)cs2)c(O)c1OC ZINC000893028537 1305667733 /nfs/dbraw/zinc/66/77/33/1305667733.db2.gz LGNHMXKYDMNERT-UHFFFAOYSA-N 1 1 348.346 3.175 20 10 EGCDMO COc1ccc(N2CCN(C[C@H]3CCCC[N@H+]3C(C)C)CC2)cc1 ZINC000787732053 1305785231 /nfs/dbraw/zinc/78/52/31/1305785231.db2.gz VIXZAECJYKNQHV-LJQANCHMSA-N 1 1 331.504 3.080 20 10 EGCDMO COc1ccc(C[NH2+][C@@H](c2nc(C3CC3)no2)C(C)C)c(O)c1OC ZINC000893347071 1305843190 /nfs/dbraw/zinc/84/31/90/1305843190.db2.gz YTWCMOOMBGMOBS-CQSZACIVSA-N 1 1 347.415 3.157 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)C(=O)N1CCCC1 ZINC000788814719 1306022736 /nfs/dbraw/zinc/02/27/36/1306022736.db2.gz MFHBCRSEGCODOU-QWRGUYRKSA-N 1 1 330.350 3.073 20 10 EGCDMO COc1cccc2c1OC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000790958778 1308896333 /nfs/dbraw/zinc/89/63/33/1308896333.db2.gz BAQKMTYEWHLFJB-NSHDSACASA-N 1 1 337.778 3.287 20 10 EGCDMO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2c(O)ccc(Cl)c2F)C1 ZINC000790976358 1308902216 /nfs/dbraw/zinc/90/22/16/1308902216.db2.gz AEYOKYIZYGMZNQ-LBPRGKRZSA-N 1 1 340.826 3.065 20 10 EGCDMO C[N@@H+](Cc1cc(F)cc(F)c1[O-])[C@@H](CO)c1ccc(Cl)cc1 ZINC000894882492 1309113502 /nfs/dbraw/zinc/11/35/02/1309113502.db2.gz ADYTXEGHZQYEDD-HNNXBMFYSA-N 1 1 327.758 3.489 20 10 EGCDMO C[N@H+](Cc1cc(F)cc(F)c1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000894882492 1309113507 /nfs/dbraw/zinc/11/35/07/1309113507.db2.gz ADYTXEGHZQYEDD-HNNXBMFYSA-N 1 1 327.758 3.489 20 10 EGCDMO CC(C)n1nccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000792764221 1309226247 /nfs/dbraw/zinc/22/62/47/1309226247.db2.gz AUJHEWDEUWXNAI-SFHVURJKSA-N 1 1 329.444 3.351 20 10 EGCDMO CC(C)n1nccc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000792764221 1309226251 /nfs/dbraw/zinc/22/62/51/1309226251.db2.gz AUJHEWDEUWXNAI-SFHVURJKSA-N 1 1 329.444 3.351 20 10 EGCDMO COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000792830321 1309238902 /nfs/dbraw/zinc/23/89/02/1309238902.db2.gz COTTXRFJLLCCHV-INIZCTEOSA-N 1 1 344.377 3.156 20 10 EGCDMO OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000895847311 1309557797 /nfs/dbraw/zinc/55/77/97/1309557797.db2.gz UFRXYXDFZBPFRJ-QGZVFWFLSA-N 1 1 342.405 3.424 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c(O)c(C(C)(C)C)c1 ZINC000794665947 1309566802 /nfs/dbraw/zinc/56/68/02/1309566802.db2.gz WSNUQNLKMDAWFB-VLIAUNLRSA-N 1 1 349.471 3.078 20 10 EGCDMO COc1cc(C)cc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1O ZINC000795752547 1309827367 /nfs/dbraw/zinc/82/73/67/1309827367.db2.gz OVDHJUHTQHXZDV-UHFFFAOYSA-N 1 1 332.444 3.256 20 10 EGCDMO COCCc1cc[nH+]c(NCc2cccc(Br)c2O)c1 ZINC000795807608 1309838843 /nfs/dbraw/zinc/83/88/43/1309838843.db2.gz GGRYYYKXENSJBR-UHFFFAOYSA-N 1 1 337.217 3.351 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(F)cc1O ZINC000796701117 1310067824 /nfs/dbraw/zinc/06/78/24/1310067824.db2.gz GPKXVUWUQSNHJJ-RHSMWYFYSA-N 1 1 337.366 3.151 20 10 EGCDMO CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1[O-] ZINC000796727895 1310074130 /nfs/dbraw/zinc/07/41/30/1310074130.db2.gz JGVJTOMIKKRSCZ-RVKKMQEKSA-N 1 1 338.467 3.461 20 10 EGCDMO CC[C@@H]([NH2+]CC(C)(C)N1CCC(OC)CC1)c1ccc(F)cc1O ZINC000796764732 1310082176 /nfs/dbraw/zinc/08/21/76/1310082176.db2.gz TUTCBNVSQQKQTJ-QGZVFWFLSA-N 1 1 338.467 3.461 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@@H](C)N1CCOCC1 ZINC000798182210 1310311430 /nfs/dbraw/zinc/31/14/30/1310311430.db2.gz GDEPDSBZAPPTQK-FRRDWIJNSA-N 1 1 346.393 3.171 20 10 EGCDMO C[C@H]([NH2+]CCCc1cnn(C)c1)c1cccc(C(F)(F)F)c1O ZINC000798180527 1310312220 /nfs/dbraw/zinc/31/22/20/1310312220.db2.gz HRTHLNJWJBZJLY-NSHDSACASA-N 1 1 327.350 3.428 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2cccc(=O)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000897391582 1310317739 /nfs/dbraw/zinc/31/77/39/1310317739.db2.gz UZSPSNLWPKYXRD-UHFFFAOYSA-N 1 1 330.428 3.431 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCc3cc(F)cc(C)c3C2)cc1OC ZINC000799950155 1310643616 /nfs/dbraw/zinc/64/36/16/1310643616.db2.gz HXLBHPGWYNYHEX-UHFFFAOYSA-N 1 1 331.387 3.415 20 10 EGCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2cnc(C3CC3)o2)N(C)C)cc1 ZINC000898447413 1310739395 /nfs/dbraw/zinc/73/93/95/1310739395.db2.gz JMXWRRSYGUOOCR-SFHVURJKSA-N 1 1 328.460 3.011 20 10 EGCDMO CN(C)c1ccc([C@H](CNCc2ccc(Cl)cn2)[NH+](C)C)cc1 ZINC000898448260 1310739616 /nfs/dbraw/zinc/73/96/16/1310739616.db2.gz RFAYDZZNCDABGZ-SFHVURJKSA-N 1 1 332.879 3.194 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000824926262 1320297042 /nfs/dbraw/zinc/29/70/42/1320297042.db2.gz DFOVXJXJAIVKNZ-DYVFJYSZSA-N 1 1 349.862 3.033 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@@]3(CCOC3)C2)c1O ZINC000825133295 1320313447 /nfs/dbraw/zinc/31/34/47/1320313447.db2.gz CFJZKVDFFRUPHE-MRXNPFEDSA-N 1 1 340.261 3.466 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000825090845 1320308400 /nfs/dbraw/zinc/30/84/00/1320308400.db2.gz JYROHBRIJQRRKX-CQSZACIVSA-N 1 1 342.277 3.446 20 10 EGCDMO CCOc1cccc(C[N@@H+]2CCOc3ccc(OC)cc3C2)c1O ZINC000824910377 1320295134 /nfs/dbraw/zinc/29/51/34/1320295134.db2.gz VBLZGBKHNNJZPF-UHFFFAOYSA-N 1 1 329.396 3.194 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCOc3ccc(OC)cc3C2)c1O ZINC000824910377 1320295138 /nfs/dbraw/zinc/29/51/38/1320295138.db2.gz VBLZGBKHNNJZPF-UHFFFAOYSA-N 1 1 329.396 3.194 20 10 EGCDMO Oc1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000826048160 1320380670 /nfs/dbraw/zinc/38/06/70/1320380670.db2.gz FMRLOXXXFAUILE-KFWWJZLASA-N 1 1 340.261 3.280 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 ZINC000827196830 1320433253 /nfs/dbraw/zinc/43/32/53/1320433253.db2.gz QGIXAUNYLIOLPX-AZUAARDMSA-N 1 1 341.451 3.389 20 10 EGCDMO COCCO[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802652878 1317023402 /nfs/dbraw/zinc/02/34/02/1317023402.db2.gz LMNVUUSNWUJOTC-FQEVSTJZSA-N 1 1 332.488 3.304 20 10 EGCDMO C[C@H]([NH2+]CC1=CCCOC1)c1cc(Br)c(F)cc1O ZINC000806178038 1317470272 /nfs/dbraw/zinc/47/02/72/1317470272.db2.gz NWPACLSSCIQOFM-VIFPVBQESA-N 1 1 330.197 3.291 20 10 EGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2c[nH+]cn2c1 ZINC000807840265 1317590802 /nfs/dbraw/zinc/59/08/02/1317590802.db2.gz WGACMEQSDLJAKW-UHFFFAOYSA-N 1 1 336.178 3.277 20 10 EGCDMO C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809637468 1317852993 /nfs/dbraw/zinc/85/29/93/1317852993.db2.gz VEHWCAAEDWEFII-LAUBAEHRSA-N 1 1 336.479 3.452 20 10 EGCDMO OC[C@@]1(F)CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809662621 1317859519 /nfs/dbraw/zinc/85/95/19/1317859519.db2.gz ARVVNGRRXBQJFX-OAQYLSRUSA-N 1 1 340.442 3.156 20 10 EGCDMO C[C@H](CO)[N@@H+](Cc1cccc(Br)c1O)CC1CCC1 ZINC000809664575 1317860622 /nfs/dbraw/zinc/86/06/22/1317860622.db2.gz HJSLZTGCQDHROD-LLVKDONJSA-N 1 1 328.250 3.138 20 10 EGCDMO C[C@H](CO)[N@H+](Cc1cccc(Br)c1O)CC1CCC1 ZINC000809664575 1317860627 /nfs/dbraw/zinc/86/06/27/1317860627.db2.gz HJSLZTGCQDHROD-LLVKDONJSA-N 1 1 328.250 3.138 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1F ZINC000809756264 1317891201 /nfs/dbraw/zinc/89/12/01/1317891201.db2.gz 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ZINC000815555419 1319014126 /nfs/dbraw/zinc/01/41/26/1319014126.db2.gz ZGGBAQAENPYTLR-JTQLQIEISA-N 1 1 330.350 3.073 20 10 EGCDMO CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000815566314 1319017131 /nfs/dbraw/zinc/01/71/31/1319017131.db2.gz PTPDDBRQTMDXNG-MNOVXSKESA-N 1 1 332.366 3.366 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1O ZINC000815618201 1319028972 /nfs/dbraw/zinc/02/89/72/1319028972.db2.gz GSYAZWCVDKZOFL-GHMZBOCLSA-N 1 1 325.334 3.273 20 10 EGCDMO CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499459 1319167704 /nfs/dbraw/zinc/16/77/04/1319167704.db2.gz QQVKLUXYANUBPZ-LBPRGKRZSA-N 1 1 342.842 3.313 20 10 EGCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000816499459 1319167707 /nfs/dbraw/zinc/16/77/07/1319167707.db2.gz QQVKLUXYANUBPZ-LBPRGKRZSA-N 1 1 342.842 3.313 20 10 EGCDMO O=C(C1CCCC1)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000816556525 1319180923 /nfs/dbraw/zinc/18/09/23/1319180923.db2.gz LSGPAYQUJSCPTH-ZDUSSCGKSA-N 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Oc1c(Br)cccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715508 1320279195 /nfs/dbraw/zinc/27/91/95/1320279195.db2.gz KQRVQUQTGHSPGD-YUELXQCFSA-N 1 1 340.261 3.280 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824715508 1320279198 /nfs/dbraw/zinc/27/91/98/1320279198.db2.gz KQRVQUQTGHSPGD-YUELXQCFSA-N 1 1 340.261 3.280 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133536 1320313809 /nfs/dbraw/zinc/31/38/09/1320313809.db2.gz JMNUZKYNGWDWBA-HNNXBMFYSA-N 1 1 326.234 3.157 20 10 EGCDMO COc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000825888388 1320369508 /nfs/dbraw/zinc/36/95/08/1320369508.db2.gz ZEYALTZFELQRGV-QZTJIDSGSA-N 1 1 349.471 3.078 20 10 EGCDMO COc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c(O)c(C(C)(C)C)c1 ZINC000825888388 1320369513 /nfs/dbraw/zinc/36/95/13/1320369513.db2.gz ZEYALTZFELQRGV-QZTJIDSGSA-N 1 1 349.471 3.078 20 10 EGCDMO C[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)Cc1ccccc1O ZINC000839516983 1320931513 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337.467 3.325 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000840948056 1321183740 /nfs/dbraw/zinc/18/37/40/1321183740.db2.gz KPTHULNVSUMSDY-ZBFHGGJFSA-N 1 1 330.394 3.054 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000840954114 1321185635 /nfs/dbraw/zinc/18/56/35/1321185635.db2.gz GIZSUCMILHTHHM-SFHVURJKSA-N 1 1 331.387 3.142 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1C[N@H+]1CCO[C@@H](CF)C1 ZINC000840954114 1321185638 /nfs/dbraw/zinc/18/56/38/1321185638.db2.gz GIZSUCMILHTHHM-SFHVURJKSA-N 1 1 331.387 3.142 20 10 EGCDMO CN(C)c1ccc(CN[C@H]2CC[NH2+]CC2(C)C)c(C(F)(F)F)c1 ZINC000841072088 1321213833 /nfs/dbraw/zinc/21/38/33/1321213833.db2.gz GBIQGILLWLHKLP-HNNXBMFYSA-N 1 1 329.410 3.249 20 10 EGCDMO CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2ccc(N)cc2)C1 ZINC000841806112 1321315854 /nfs/dbraw/zinc/31/58/54/1321315854.db2.gz UWXYJUDXQKAWHB-MRXNPFEDSA-N 1 1 346.519 3.011 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)c1cccc(C(F)(F)F)c1O ZINC000842883553 1321443981 /nfs/dbraw/zinc/44/39/81/1321443981.db2.gz DTHOOUMXKHYWFU-GWCFXTLKSA-N 1 1 344.377 3.461 20 10 EGCDMO CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C(=O)NCc1cccs1 ZINC000842906729 1321448642 /nfs/dbraw/zinc/44/86/42/1321448642.db2.gz AOTSWPIGANKRSM-ABAIWWIYSA-N 1 1 336.432 3.338 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000843113546 1321472365 /nfs/dbraw/zinc/47/23/65/1321472365.db2.gz WOJMHWJVIMPJOX-LBPRGKRZSA-N 1 1 327.266 3.024 20 10 EGCDMO C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(Br)c(F)cc1O ZINC000846192030 1321775173 /nfs/dbraw/zinc/77/51/73/1321775173.db2.gz ZVYFJVLRDACSQE-BSFTYYOTSA-N 1 1 330.197 3.264 20 10 EGCDMO CCc1cccc(C[N@H+]2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c1O ZINC000848907791 1322041167 /nfs/dbraw/zinc/04/11/67/1322041167.db2.gz IIKIXZIONZPCGB-GOSISDBHSA-N 1 1 338.451 3.440 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)ccc1N1CCOCC1 ZINC000848925429 1322046873 /nfs/dbraw/zinc/04/68/73/1322046873.db2.gz VQGBYKNNGXPXDW-SFHVURJKSA-N 1 1 348.462 3.196 20 10 EGCDMO COc1cc(C[NH2+][C@H](C)c2nnc3n2CCC3)c(O)c(C(C)(C)C)c1 ZINC000850025397 1322183697 /nfs/dbraw/zinc/18/36/97/1322183697.db2.gz QGASERHEOCZIML-GFCCVEGCSA-N 1 1 344.459 3.087 20 10 EGCDMO COCc1csc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000850533457 1322261731 /nfs/dbraw/zinc/26/17/31/1322261731.db2.gz ZCRQOVGQLBTPCQ-NSHDSACASA-N 1 1 335.425 3.238 20 10 EGCDMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccccc1O ZINC000851792726 1323090603 /nfs/dbraw/zinc/09/06/03/1323090603.db2.gz RGQTYBUVBXYGQQ-UHFFFAOYSA-N 1 1 333.819 3.291 20 10 EGCDMO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(N3CCSCC3)cc2)nn1 ZINC000924707533 1323125840 /nfs/dbraw/zinc/12/58/40/1323125840.db2.gz MCSRTXGNUGFKDF-OAHLLOKOSA-N 1 1 345.516 3.263 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cn(C)cn1 ZINC000924714296 1323129347 /nfs/dbraw/zinc/12/93/47/1323129347.db2.gz JTFBPVLPUNVZLM-KFWWJZLASA-N 1 1 346.450 3.024 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000859967845 1329120563 /nfs/dbraw/zinc/12/05/63/1329120563.db2.gz OCYIQQRLMGGAJG-IZAXUBKRSA-N 1 1 340.467 3.288 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](C)C[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(C)cc1 ZINC000859967845 1329120568 /nfs/dbraw/zinc/12/05/68/1329120568.db2.gz OCYIQQRLMGGAJG-IZAXUBKRSA-N 1 1 340.467 3.288 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)cc1OC ZINC000853572220 1325126527 /nfs/dbraw/zinc/12/65/27/1325126527.db2.gz QNCVZRURFMCACS-RHSMWYFYSA-N 1 1 335.444 3.191 20 10 EGCDMO Cc1cc(C[NH2+][C@@H](C)c2cc(CO)on2)c(C)n1-c1ccccc1 ZINC000926763568 1327704979 /nfs/dbraw/zinc/70/49/79/1327704979.db2.gz BTGWRALPZGJTPC-AWEZNQCLSA-N 1 1 325.412 3.425 20 10 EGCDMO OCC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862396867 1329482533 /nfs/dbraw/zinc/48/25/33/1329482533.db2.gz BJTLPRYEKLFQEW-GFCCVEGCSA-N 1 1 328.250 3.139 20 10 EGCDMO CC(C)[N@H+]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862211021 1329466020 /nfs/dbraw/zinc/46/60/20/1329466020.db2.gz AKZRXCHJCKDFRU-UHFFFAOYSA-N 1 1 327.266 3.071 20 10 EGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000862536309 1329493976 /nfs/dbraw/zinc/49/39/76/1329493976.db2.gz GZYKOVASAXCSBF-MRXNPFEDSA-N 1 1 331.799 3.318 20 10 EGCDMO C[C@H](C[N@@H+](C)Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000862540402 1329494088 /nfs/dbraw/zinc/49/40/88/1329494088.db2.gz DYPJONQWAKHGNO-LLVKDONJSA-N 1 1 328.840 3.391 20 10 EGCDMO C[C@H](C[N@@H+](C)Cc1c(O)cccc1Cl)NC(=O)OC(C)(C)C ZINC000862541481 1329495047 /nfs/dbraw/zinc/49/50/47/1329495047.db2.gz REBYANBRMVJLGX-LLVKDONJSA-N 1 1 328.840 3.391 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000862755079 1329506726 /nfs/dbraw/zinc/50/67/26/1329506726.db2.gz OIOAPUIDOYCRFH-KRWDZBQOSA-N 1 1 332.831 3.273 20 10 EGCDMO CCCC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968684749 1336010566 /nfs/dbraw/zinc/01/05/66/1336010566.db2.gz IFIXUNOFOSSNDW-CJNGLKHVSA-N 1 1 345.447 3.089 20 10 EGCDMO CCCC[N@H+]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072103176 1355132314 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CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1cc(OC)ccc1O ZINC001203681295 1370216089 /nfs/dbraw/zinc/21/60/89/1370216089.db2.gz UGMOYAQLFFFHMM-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(CC)c1ccc(C[NH+]2CC(N3CCC(F)(F)CC3)C2)cc1 ZINC001203942444 1370323587 /nfs/dbraw/zinc/32/35/87/1370323587.db2.gz QSNPYBWTNCXGAN-UHFFFAOYSA-N 1 1 337.458 3.448 20 10 EGCDMO CCN(CC)c1ccc(CN2CC([NH+]3CCC(F)(F)CC3)C2)cc1 ZINC001203942444 1370323593 /nfs/dbraw/zinc/32/35/93/1370323593.db2.gz QSNPYBWTNCXGAN-UHFFFAOYSA-N 1 1 337.458 3.448 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c2ccccc21 ZINC001204234372 1370418065 /nfs/dbraw/zinc/41/80/65/1370418065.db2.gz ZOQLYZNCERFWMJ-OAHLLOKOSA-N 1 1 334.410 3.355 20 10 EGCDMO Oc1ccc(C[N@H+]2CCO[C@H]3[C@H](OCC4CCCC4)CC[C@@H]32)c(O)c1 ZINC001204273239 1370428507 /nfs/dbraw/zinc/42/85/07/1370428507.db2.gz LIYDFNGJLAIRPR-DFQSSKMNSA-N 1 1 347.455 3.036 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@]12CCC[N@@H+](Cc1ccc(O)cc1O)C2 ZINC001204277270 1370429010 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Cc1cc(Br)cc(CN2CCCC[C@@](C)(C[NH3+])C2)c1O ZINC001206563258 1371094340 /nfs/dbraw/zinc/09/43/40/1371094340.db2.gz AKLCAXNFOFMKJM-INIZCTEOSA-N 1 1 341.293 3.414 20 10 EGCDMO Cc1cc(O)c(CN2CCCC[C@](C)(C[NH3+])C2)cc1Br ZINC001206574629 1371097467 /nfs/dbraw/zinc/09/74/67/1371097467.db2.gz SPSQTZFQXOWNEI-MRXNPFEDSA-N 1 1 341.293 3.414 20 10 EGCDMO CCOc1ccc(N2CCN(Cc3cc(OC)cc(C)[nH+]3)CC2)cc1 ZINC001117934786 1371109348 /nfs/dbraw/zinc/10/93/48/1371109348.db2.gz VKIBXONYJCGISD-UHFFFAOYSA-N 1 1 341.455 3.120 20 10 EGCDMO O=C1CCCN1Cc1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC001119505284 1371356718 /nfs/dbraw/zinc/35/67/18/1371356718.db2.gz PXQFDLOGFPMKLF-UHFFFAOYSA-N 1 1 346.377 3.083 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1 ZINC001209519874 1372127119 /nfs/dbraw/zinc/12/71/19/1372127119.db2.gz ISCPNRUFBQGCMP-UHFFFAOYSA-N 1 1 340.467 3.476 20 10 EGCDMO Cc1cccc(C[N@H+]2CCCn3cnc(Cn4cccc4)c3C2)c1O ZINC001231592815 1376274250 /nfs/dbraw/zinc/27/42/50/1376274250.db2.gz KQALYAZKGYCIPQ-UHFFFAOYSA-N 1 1 336.439 3.153 20 10 EGCDMO Cc1cccc(CN2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)c1O ZINC001231592260 1376274408 /nfs/dbraw/zinc/27/44/08/1376274408.db2.gz LNNXOQKQXSLMQJ-INIZCTEOSA-N 1 1 342.487 3.314 20 10 EGCDMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231866593 1376328453 /nfs/dbraw/zinc/32/84/53/1376328453.db2.gz GJKJESVTEZXPTP-QZTJIDSGSA-N 1 1 339.863 3.372 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@@H](Oc3nccnc3C)C2)cc1Cl ZINC001231871422 1376334361 /nfs/dbraw/zinc/33/43/61/1376334361.db2.gz KNBPATJTOGUNJS-CQSZACIVSA-N 1 1 333.819 3.106 20 10 EGCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)c1 ZINC001231871655 1376334750 /nfs/dbraw/zinc/33/47/50/1376334750.db2.gz PGJCPWBHXOKFEN-HNNXBMFYSA-N 1 1 348.830 3.411 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)cc1Cl ZINC001232271531 1376427272 /nfs/dbraw/zinc/42/72/72/1376427272.db2.gz WDOFCBQYQODGIP-CQSZACIVSA-N 1 1 348.830 3.411 20 10 EGCDMO CCOC(=O)C[N@H+](Cc1cc(Cl)c(OC)cc1O)C1CCCC1 ZINC001232270371 1376427575 /nfs/dbraw/zinc/42/75/75/1376427575.db2.gz BCIYTFXGOKQXCB-UHFFFAOYSA-N 1 1 341.835 3.362 20 10 EGCDMO CCOC(=O)C[N@@H+](Cc1cc(Cl)c(OC)cc1O)C1CCCC1 ZINC001232270371 1376427577 /nfs/dbraw/zinc/42/75/77/1376427577.db2.gz BCIYTFXGOKQXCB-UHFFFAOYSA-N 1 1 341.835 3.362 20 10 EGCDMO CC[N@H+]1CCN(Cc2cc(Br)cc(C)c2O)C(C)(C)C1 ZINC001233111533 1376572755 /nfs/dbraw/zinc/57/27/55/1376572755.db2.gz SJPBMNWQHKCDKL-UHFFFAOYSA-N 1 1 341.293 3.379 20 10 EGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1O ZINC001233233182 1376595940 /nfs/dbraw/zinc/59/59/40/1376595940.db2.gz CKKLYDBEAHQVCX-UHFFFAOYSA-N 1 1 326.440 3.169 20 10 EGCDMO Cc1cccnc1O[C@@H]1CCC[N@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336431 1376621838 /nfs/dbraw/zinc/62/18/38/1376621838.db2.gz LKDHIVMALIUFEL-CYBMUJFWSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2c(O)ccc(F)c2F)C1 ZINC001233336431 1376621845 /nfs/dbraw/zinc/62/18/45/1376621845.db2.gz LKDHIVMALIUFEL-CYBMUJFWSA-N 1 1 334.366 3.417 20 10 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/nfs/dbraw/zinc/89/36/23/1384893623.db2.gz ZPWYWFSODJETKI-CQSZACIVSA-N 1 1 334.460 3.396 20 10 EGCDMO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001173231537 1384940596 /nfs/dbraw/zinc/94/05/96/1384940596.db2.gz MPUBYDRGBJFNFH-CYBMUJFWSA-N 1 1 342.395 3.385 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1ccc(F)cc1O ZINC001320421599 1386605383 /nfs/dbraw/zinc/60/53/83/1386605383.db2.gz ZSKQXKFUYKCMOG-PBHICJAKSA-N 1 1 342.414 3.487 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)cc1 ZINC001321753152 1386975867 /nfs/dbraw/zinc/97/58/67/1386975867.db2.gz VODBBYQUHORUPZ-RTBURBONSA-N 1 1 343.515 3.223 20 10 EGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@H]1CC[N@H+](C(C)C)C1 ZINC001181981234 1387086408 /nfs/dbraw/zinc/08/64/08/1387086408.db2.gz WGFYEQKCHIFCNI-HNAYVOBHSA-N 1 1 344.499 3.479 20 10 EGCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333447 1387161365 /nfs/dbraw/zinc/16/13/65/1387161365.db2.gz HYTOPSKZRYHUBJ-MBOZVWFJSA-N 1 1 330.472 3.055 20 10 EGCDMO CC(C)c1nsc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001332269929 1390070640 /nfs/dbraw/zinc/07/06/40/1390070640.db2.gz PRCABPCGURATMR-UHFFFAOYSA-N 1 1 349.479 3.165 20 10 EGCDMO COc1cccc(N2CCC([NH2+]Cc3cc(F)cc(F)c3O)CC2)c1 ZINC001350295221 1391443223 /nfs/dbraw/zinc/44/32/23/1391443223.db2.gz WQUDMQYZCFZOHV-UHFFFAOYSA-N 1 1 348.393 3.438 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741226 455274055 /nfs/dbraw/zinc/27/40/55/455274055.db2.gz UATRPMUFHKBMBB-QUCCMNQESA-N 1 1 345.414 3.246 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)CCCn2cc[nH+]c2C)c1[O-] ZINC000130692233 454213381 /nfs/dbraw/zinc/21/33/81/454213381.db2.gz AZCMBYVRKNTLCB-UHFFFAOYSA-N 1 1 335.835 3.275 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1[O-] ZINC000130692233 454213385 /nfs/dbraw/zinc/21/33/85/454213385.db2.gz AZCMBYVRKNTLCB-UHFFFAOYSA-N 1 1 335.835 3.275 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+](C)[C@@H](CCO)c2ccccc2)c1O ZINC000079465169 454419897 /nfs/dbraw/zinc/41/98/97/454419897.db2.gz RCTCEGLGGUWLRX-SFHVURJKSA-N 1 1 331.387 3.289 20 10 EGCDMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000097907396 454446355 /nfs/dbraw/zinc/44/63/55/454446355.db2.gz RQNVXGNNXFOHFA-KRWDZBQOSA-N 1 1 346.471 3.370 20 10 EGCDMO Cn1cnnc1C[NH2+]Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O ZINC000101591853 454476028 /nfs/dbraw/zinc/47/60/28/454476028.db2.gz VFQKGQBFAIATJP-UHFFFAOYSA-N 1 1 330.476 3.406 20 10 EGCDMO Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000160368794 455452234 /nfs/dbraw/zinc/45/22/34/455452234.db2.gz TYKBOFGYRKKFQF-GOSISDBHSA-N 1 1 327.403 3.401 20 10 EGCDMO Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000160368794 455452239 /nfs/dbraw/zinc/45/22/39/455452239.db2.gz TYKBOFGYRKKFQF-GOSISDBHSA-N 1 1 327.403 3.401 20 10 EGCDMO C[N@H+](Cc1nc2ccccc2s1)Cc1cc2c(cc1O)OCO2 ZINC000065603959 454600805 /nfs/dbraw/zinc/60/08/05/454600805.db2.gz IEJPYIDDVLGHBU-UHFFFAOYSA-N 1 1 328.393 3.363 20 10 EGCDMO C[N@@H+](Cc1nc2ccccc2s1)Cc1cc2c(cc1O)OCO2 ZINC000065603959 454600810 /nfs/dbraw/zinc/60/08/10/454600810.db2.gz IEJPYIDDVLGHBU-UHFFFAOYSA-N 1 1 328.393 3.363 20 10 EGCDMO C[C@H]([C@H](C)S(C)(=O)=O)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093420546 454715654 /nfs/dbraw/zinc/71/56/54/454715654.db2.gz PWJPEJVRQIEQEL-CABCVRRESA-N 1 1 347.480 3.313 20 10 EGCDMO CC[N@@H+](Cc1cn(C)nc1C)Cc1cc(Br)ccc1O ZINC000093866934 454740777 /nfs/dbraw/zinc/74/07/77/454740777.db2.gz CCVUAEDJSZRSFS-UHFFFAOYSA-N 1 1 338.249 3.219 20 10 EGCDMO CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769971 454836200 /nfs/dbraw/zinc/83/62/00/454836200.db2.gz CYLLBEOBHVQFQU-CYBMUJFWSA-N 1 1 326.396 3.054 20 10 EGCDMO C[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)Cc1ccccc1O ZINC000111235112 454859285 /nfs/dbraw/zinc/85/92/85/454859285.db2.gz AOJXWEYIKKQNRH-UHFFFAOYSA-N 1 1 341.379 3.021 20 10 EGCDMO COc1ccc(N2CCC([NH2+]C3CCN(CC4CC4)CC3)CC2)cc1 ZINC000165609553 454901250 /nfs/dbraw/zinc/90/12/50/454901250.db2.gz JFVWMUPBJCNCCI-UHFFFAOYSA-N 1 1 343.515 3.128 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C ZINC000170646394 454948305 /nfs/dbraw/zinc/94/83/05/454948305.db2.gz OEEUGYHNOZCTDD-MRXNPFEDSA-N 1 1 334.460 3.498 20 10 EGCDMO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000178409670 454953639 /nfs/dbraw/zinc/95/36/39/454953639.db2.gz CNEYTBJOLNBBDL-QGZVFWFLSA-N 1 1 349.494 3.189 20 10 EGCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2c(O)ccc3ccccc32)CC1 ZINC000151925324 455049112 /nfs/dbraw/zinc/04/91/12/455049112.db2.gz NGWHERCYJIIPPT-UHFFFAOYSA-N 1 1 326.440 3.236 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c(O)c1 ZINC000180130082 455136822 /nfs/dbraw/zinc/13/68/22/455136822.db2.gz UKJOEQABSLBSAB-KRWDZBQOSA-N 1 1 329.444 3.351 20 10 EGCDMO CCn1cnnc1C[NH2+][C@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000158363774 455296654 /nfs/dbraw/zinc/29/66/54/455296654.db2.gz ICSYDAVWRFJWMY-CQSZACIVSA-N 1 1 331.439 3.278 20 10 EGCDMO CCc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3O)CC2)ncn1 ZINC000185642523 455588723 /nfs/dbraw/zinc/58/87/23/455588723.db2.gz CQJSXUICHJETRT-ZDUSSCGKSA-N 1 1 344.434 3.203 20 10 EGCDMO CO[C@H](C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000284174948 455646389 /nfs/dbraw/zinc/64/63/89/455646389.db2.gz XZAGTZKUYTYTNP-OAQYLSRUSA-N 1 1 340.467 3.343 20 10 EGCDMO COc1ccc([C@H](CN(C)C)[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000284230753 455654681 /nfs/dbraw/zinc/65/46/81/455654681.db2.gz DJUXSAIFFYWQFH-ACJLOTCBSA-N 1 1 332.419 3.493 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(N2CCCCC2)c(F)c1)c1nncn1C ZINC000268868590 455715820 /nfs/dbraw/zinc/71/58/20/455715820.db2.gz KXHOSSFUBRTFJD-KBPBESRZSA-N 1 1 331.439 3.356 20 10 EGCDMO CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192993065 455731745 /nfs/dbraw/zinc/73/17/45/455731745.db2.gz CTLCXAYOCNLMBZ-DTWKUNHWSA-N 1 1 340.272 3.173 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)c1O ZINC000292715658 455739310 /nfs/dbraw/zinc/73/93/10/455739310.db2.gz DTFBSPWFCADLJA-AWEZNQCLSA-N 1 1 325.836 3.303 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)ccc1N(C)C ZINC000293443091 455786849 /nfs/dbraw/zinc/78/68/49/455786849.db2.gz CBPHIRGYDOPJLO-MRXNPFEDSA-N 1 1 330.394 3.340 20 10 EGCDMO COc1c(O)c(C[N@H+](C)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216906 455788584 /nfs/dbraw/zinc/78/85/84/455788584.db2.gz LBHAMHQMWCFGQR-OAHLLOKOSA-N 1 1 328.368 3.428 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216906 455788587 /nfs/dbraw/zinc/78/85/87/455788587.db2.gz LBHAMHQMWCFGQR-OAHLLOKOSA-N 1 1 328.368 3.428 20 10 EGCDMO CC[C@H]([NH2+]Cc1cc(C)nc(N2CCCC2)n1)c1ccc(F)cc1O ZINC000293848468 455799625 /nfs/dbraw/zinc/79/96/25/455799625.db2.gz XDLQGCHKNDCNJI-KRWDZBQOSA-N 1 1 344.434 3.471 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)ccc1N(C)C ZINC000294024915 455802930 /nfs/dbraw/zinc/80/29/30/455802930.db2.gz HREDDSVTAQJTGX-GOEBONIOSA-N 1 1 330.394 3.196 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1Cl ZINC000269602806 455850371 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EGCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142594 1293358078 /nfs/dbraw/zinc/35/80/78/1293358078.db2.gz NWUZWFYORAHWMI-MRXNPFEDSA-N 1 1 339.357 3.446 20 10 EGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[O-] ZINC000123292276 1293439576 /nfs/dbraw/zinc/43/95/76/1293439576.db2.gz RTUICXPFVKQIIB-UHFFFAOYSA-N 1 1 336.451 3.288 20 10 EGCDMO CCC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1O ZINC000130725462 1293667182 /nfs/dbraw/zinc/66/71/82/1293667182.db2.gz LGZNHLWSAZMUPA-UHFFFAOYSA-N 1 1 340.423 3.446 20 10 EGCDMO CCC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)Cc1ccccc1O ZINC000130725462 1293667186 /nfs/dbraw/zinc/66/71/86/1293667186.db2.gz LGZNHLWSAZMUPA-UHFFFAOYSA-N 1 1 340.423 3.446 20 10 EGCDMO OCC[N@@H+](Cc1cc(Br)ccc1O)C1CCCCC1 ZINC000155129166 1294085527 /nfs/dbraw/zinc/08/55/27/1294085527.db2.gz MGUQHRGJORWBBE-UHFFFAOYSA-N 1 1 328.250 3.282 20 10 EGCDMO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182888872 1295082720 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CCc1cc(C[N@H+]2CCOC[C@@H]2CC(=O)OC)c(O)c(C(C)(C)C)c1 ZINC000808211266 1317645757 /nfs/dbraw/zinc/64/57/57/1317645757.db2.gz PGMKPTFMAQYENV-INIZCTEOSA-N 1 1 349.471 3.016 20 10 EGCDMO Cc1noc(C)c1[C@@H](C)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903448294 1317701718 /nfs/dbraw/zinc/70/17/18/1317701718.db2.gz MWUQPDCLOXXIED-ACJLOTCBSA-N 1 1 330.476 3.311 20 10 EGCDMO CC[N@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(C)(C)C ZINC000808733425 1317725600 /nfs/dbraw/zinc/72/56/00/1317725600.db2.gz VGYJTBLBOATUSP-AWEZNQCLSA-N 1 1 330.266 3.384 20 10 EGCDMO CON(C)C(=O)CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000808742484 1317728309 /nfs/dbraw/zinc/72/83/09/1317728309.db2.gz WGKAWHABNHJHNJ-INIZCTEOSA-N 1 1 342.439 3.365 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000809698097 1317867956 /nfs/dbraw/zinc/86/79/56/1317867956.db2.gz VTOIQSNUKFCZGI-FPOVZHCZSA-N 1 1 339.435 3.439 20 10 EGCDMO Cc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000809703895 1317869216 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EGCDMO C[C@@H](NC[C@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938837 1319467045 /nfs/dbraw/zinc/46/70/45/1319467045.db2.gz UIIFZQGTGGQXOF-QRWLVFNGSA-N 1 1 326.488 3.169 20 10 EGCDMO COc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940555 1319468207 /nfs/dbraw/zinc/46/82/07/1319468207.db2.gz JUMWDMIEZZTDPU-YWZLYKJASA-N 1 1 327.472 3.420 20 10 EGCDMO CCc1nc(C)c([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)s1 ZINC000817942741 1319470125 /nfs/dbraw/zinc/47/01/25/1319470125.db2.gz QSMLQSSXPRAOKL-BLLLJJGKSA-N 1 1 332.517 3.431 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCOc3ccccc32)cc1 ZINC000817944354 1319472451 /nfs/dbraw/zinc/47/24/51/1319472451.db2.gz ZQSSQYOGJNEQSD-RTBURBONSA-N 1 1 325.456 3.256 20 10 EGCDMO C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1cc(Br)ccc1[O-] ZINC000817982200 1319485685 /nfs/dbraw/zinc/48/56/85/1319485685.db2.gz ZRIDSOMXQVSSMZ-YPMHNXCESA-N 1 1 327.266 3.338 20 10 EGCDMO CCn1nc(C)c(C[NH2+][C@@H](C)c2ccc(N3CCCCC3)cc2)n1 ZINC000818344780 1319531566 /nfs/dbraw/zinc/53/15/66/1319531566.db2.gz QNGNKYDWOBXQCH-HNNXBMFYSA-N 1 1 327.476 3.448 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000918206478 1319933613 /nfs/dbraw/zinc/93/36/13/1319933613.db2.gz HTTGGYOXINSXSJ-QGZVFWFLSA-N 1 1 346.519 3.064 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1ccc2nonc2c1)C[C@@H]1CCCO1 ZINC000821390796 1320010746 /nfs/dbraw/zinc/01/07/46/1320010746.db2.gz DZMDIUAIQLKITQ-INIZCTEOSA-N 1 1 339.395 3.110 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@](F)(CO)C2)cc1 ZINC000824345198 1320249420 /nfs/dbraw/zinc/24/94/20/1320249420.db2.gz XMIKGJPJDKVMIC-SFHVURJKSA-N 1 1 334.460 3.291 20 10 EGCDMO CCc1nnc(C[NH2+]Cc2ccc3c(c2)CCN3Cc2ccccc2)[nH]1 ZINC000824445497 1320258790 /nfs/dbraw/zinc/25/87/90/1320258790.db2.gz BMSOYAXVRWFFLY-UHFFFAOYSA-N 1 1 347.466 3.220 20 10 EGCDMO Cc1cc(O)c(CN2CCC[N@@H+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000824555046 1320264423 /nfs/dbraw/zinc/26/44/23/1320264423.db2.gz BJDZNRJRMCZFDX-INIZCTEOSA-N 1 1 338.879 3.041 20 10 EGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291195 /nfs/dbraw/zinc/29/11/95/1320291195.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291201 /nfs/dbraw/zinc/29/12/01/1320291201.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(Br)cc2[O-])C[C@@H]1C ZINC000824855924 1320291206 /nfs/dbraw/zinc/29/12/06/1320291206.db2.gz SAIHTHCMAALNQU-WFASDCNBSA-N 1 1 341.293 3.459 20 10 EGCDMO CC[N@@H+](Cc1cnc(C)n1C)Cc1cc(Br)ccc1O ZINC000824913384 1320295572 /nfs/dbraw/zinc/29/55/72/1320295572.db2.gz QSHOIFAFDOQECP-UHFFFAOYSA-N 1 1 338.249 3.219 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000825331278 1320328485 /nfs/dbraw/zinc/32/84/85/1320328485.db2.gz BWPOIGWZFVYVGP-OCCSQVGLSA-N 1 1 340.261 3.320 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC(C)(C)[C@@H]3COC[C@@H]32)c1 ZINC000825331278 1320328491 /nfs/dbraw/zinc/32/84/91/1320328491.db2.gz BWPOIGWZFVYVGP-OCCSQVGLSA-N 1 1 340.261 3.320 20 10 EGCDMO Oc1cc(Br)ccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000826122331 1320385200 /nfs/dbraw/zinc/38/52/00/1320385200.db2.gz ZZEDJBBUCRJGHG-JKSUJKDBSA-N 1 1 348.240 3.463 20 10 EGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2nccc(C(F)(F)F)n2)c1 ZINC000840868611 1321165698 /nfs/dbraw/zinc/16/56/98/1321165698.db2.gz CGEKGIBMOBZVFJ-VIFPVBQESA-N 1 1 327.306 3.060 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000840948362 1321184158 /nfs/dbraw/zinc/18/41/58/1321184158.db2.gz UBBVHTMMIPSKQS-OAQYLSRUSA-N 1 1 339.483 3.240 20 10 EGCDMO C[NH2+]CCCNCc1ccc(N2CCCCC2)c(Br)c1 ZINC000841042518 1321207737 /nfs/dbraw/zinc/20/77/37/1321207737.db2.gz NIJKUMZXRFEYOP-UHFFFAOYSA-N 1 1 340.309 3.139 20 10 EGCDMO COc1cc(CNC[C@@H]([NH3+])c2ccc(N(C)C)cc2)ccc1SC ZINC000841042353 1321208000 /nfs/dbraw/zinc/20/80/00/1321208000.db2.gz IOYUZAANRMGDJT-QGZVFWFLSA-N 1 1 345.512 3.273 20 10 EGCDMO COc1cccc2cc(C[NH2+]C[C@@H](N)c3ccc(N(C)C)cc3)oc21 ZINC000841046046 1321209425 /nfs/dbraw/zinc/20/94/25/1321209425.db2.gz VGBVRIROAHLIFL-GOSISDBHSA-N 1 1 339.439 3.297 20 10 EGCDMO CCOCc1cc(CNC[C@H]2[NH2+]CCc3ccccc32)ccc1OC ZINC000841068882 1321213296 /nfs/dbraw/zinc/21/32/96/1321213296.db2.gz JQRUWIPYEWYMLR-HXUWFJFHSA-N 1 1 340.467 3.208 20 10 EGCDMO C[C@H]([NH2+]CC1(N2CCCC2)CCOCC1)c1ccc(Cl)cc1O ZINC000841747383 1321305934 /nfs/dbraw/zinc/30/59/34/1321305934.db2.gz QEUJVPFNKQJJFY-AWEZNQCLSA-N 1 1 338.879 3.341 20 10 EGCDMO CCOC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2O)CC1 ZINC000841743754 1321305944 /nfs/dbraw/zinc/30/59/44/1321305944.db2.gz JZGYLDVLCIKTNS-NSHDSACASA-N 1 1 326.824 3.317 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2ccnn2C)C1)c1ccc(Cl)cc1O ZINC000841757113 1321307178 /nfs/dbraw/zinc/30/71/78/1321307178.db2.gz MHVLTTOQWXAOBY-BNLOLNQZSA-N 1 1 335.835 3.350 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(Cl)cc1O ZINC000841760707 1321308105 /nfs/dbraw/zinc/30/81/05/1321308105.db2.gz UGJDNPWJVDSLNA-IAOVAPTHSA-N 1 1 338.879 3.340 20 10 EGCDMO COc1ccc([C@@H](CO)C[NH2+][C@H](C)c2ccc(Cl)cc2O)cc1 ZINC000841758631 1321308386 /nfs/dbraw/zinc/30/83/86/1321308386.db2.gz UJQJNNRNXUBDIU-TZMCWYRMSA-N 1 1 335.831 3.481 20 10 EGCDMO CC[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1[O-] ZINC000842473127 1321393618 /nfs/dbraw/zinc/39/36/18/1321393618.db2.gz QFSYSSPTKPKWGT-CYBMUJFWSA-N 1 1 341.293 3.366 20 10 EGCDMO CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1cc(Br)ccc1[O-] ZINC000842473127 1321393625 /nfs/dbraw/zinc/39/36/25/1321393625.db2.gz QFSYSSPTKPKWGT-CYBMUJFWSA-N 1 1 341.293 3.366 20 10 EGCDMO CCN1C[C@H](C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1=O ZINC000846210282 1321776359 /nfs/dbraw/zinc/77/63/59/1321776359.db2.gz WZJUDGJFJLKRNU-ZJUUUORDSA-N 1 1 331.243 3.218 20 10 EGCDMO COC(=O)/C=C\c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)o1 ZINC000848877840 1322026669 /nfs/dbraw/zinc/02/66/69/1322026669.db2.gz ULDCARADPVZNMO-QXMHVHEDSA-N 1 1 328.412 3.164 20 10 EGCDMO CCc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1O ZINC000848890550 1322031187 /nfs/dbraw/zinc/03/11/87/1322031187.db2.gz RJYLVRYSQPCQJT-WOJBJXKFSA-N 1 1 341.451 3.279 20 10 EGCDMO CCc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccccc2)c1O ZINC000848890547 1322031494 /nfs/dbraw/zinc/03/14/94/1322031494.db2.gz RJYLVRYSQPCQJT-PMACEKPBSA-N 1 1 341.451 3.279 20 10 EGCDMO CCc1cccc(C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000848905261 1322041115 /nfs/dbraw/zinc/04/11/15/1322041115.db2.gz FTIRNFCQIVMEBY-LJQANCHMSA-N 1 1 338.451 3.188 20 10 EGCDMO CCc1nnc([C@H](C)[NH2+]Cc2cc(OC)cc(C(C)(C)C)c2O)[nH]1 ZINC000850228363 1322210720 /nfs/dbraw/zinc/21/07/20/1322210720.db2.gz PICZFNWSLMRQJM-NSHDSACASA-N 1 1 332.448 3.230 20 10 EGCDMO CCC[N@@H+]1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000850394822 1322238189 /nfs/dbraw/zinc/23/81/89/1322238189.db2.gz FIRXWPWGKGISCN-QGZVFWFLSA-N 1 1 346.475 3.159 20 10 EGCDMO CCC[N@H+]1CC[C@@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000850394822 1322238196 /nfs/dbraw/zinc/23/81/96/1322238196.db2.gz FIRXWPWGKGISCN-QGZVFWFLSA-N 1 1 346.475 3.159 20 10 EGCDMO CCn1cc(C[NH2+][C@H](C)c2ccc(N3CCCCC3)c(F)c2)nn1 ZINC000850522566 1322260607 /nfs/dbraw/zinc/26/06/07/1322260607.db2.gz VGDRVMWWJIAPLT-CQSZACIVSA-N 1 1 331.439 3.278 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](C)[C@H]2CCO)c1O ZINC000852456895 1323195144 /nfs/dbraw/zinc/19/51/44/1323195144.db2.gz MUTLUJPDKFAPIF-MEDUHNTESA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@H]2CCO)c1O ZINC000852456895 1323195152 /nfs/dbraw/zinc/19/51/52/1323195152.db2.gz MUTLUJPDKFAPIF-MEDUHNTESA-N 1 1 325.836 3.231 20 10 EGCDMO CCOC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862244449 1329470410 /nfs/dbraw/zinc/47/04/10/1329470410.db2.gz AZVUVAAVGYKDJO-LBPRGKRZSA-N 1 1 328.250 3.403 20 10 EGCDMO CC(C)CO[C@@H]1CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862253231 1329471849 /nfs/dbraw/zinc/47/18/49/1329471849.db2.gz KDYCFUUCEQCWHU-GFCCVEGCSA-N 1 1 328.250 3.402 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)[C@H](O)C(F)(F)F ZINC000866464601 1330115822 /nfs/dbraw/zinc/11/58/22/1330115822.db2.gz XOPGKFULATZYIS-CVJICSNFSA-N 1 1 331.256 3.373 20 10 EGCDMO C[C@H]([NH2+]Cc1ccnc(N2CCSCC2)c1)c1ccc(F)cc1O ZINC000866473999 1330116882 /nfs/dbraw/zinc/11/68/82/1330116882.db2.gz JMUPZWAIMAOVRH-ZDUSSCGKSA-N 1 1 347.459 3.330 20 10 EGCDMO C[C@@H](NC(=O)NCCCC[N@H+]1CCCC[C@H]1C)c1ccccc1O ZINC000868103257 1330249699 /nfs/dbraw/zinc/24/96/99/1330249699.db2.gz QJCQLLCMNXUZEF-HZPDHXFCSA-N 1 1 333.476 3.407 20 10 EGCDMO CC[C@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674323 1337058402 /nfs/dbraw/zinc/05/84/02/1337058402.db2.gz QRBSJBIQKWRLDH-BBRMVZONSA-N 1 1 345.447 3.089 20 10 EGCDMO CC[C@@H](C)C[N@H+]1CCC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001009674332 1337058605 /nfs/dbraw/zinc/05/86/05/1337058605.db2.gz QRBSJBIQKWRLDH-CJNGLKHVSA-N 1 1 345.447 3.089 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1N(C)C ZINC001324489929 1387644615 /nfs/dbraw/zinc/64/46/15/1387644615.db2.gz RFIWYRSWFRRUIF-QGZVFWFLSA-N 1 1 326.488 3.249 20 10 EGCDMO CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324733176 1387756094 /nfs/dbraw/zinc/75/60/94/1387756094.db2.gz IHGYGROFXVPLFE-IBGZPJMESA-N 1 1 345.531 3.218 20 10 EGCDMO CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324733176 1387756098 /nfs/dbraw/zinc/75/60/98/1387756098.db2.gz IHGYGROFXVPLFE-IBGZPJMESA-N 1 1 345.531 3.218 20 10 EGCDMO CC[C@H]1CN(CC)CC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC001324733176 1387756105 /nfs/dbraw/zinc/75/61/05/1387756105.db2.gz IHGYGROFXVPLFE-IBGZPJMESA-N 1 1 345.531 3.218 20 10 EGCDMO C[NH+]1CCN(c2ccc(CN[C@H](C3CC3)C(F)(F)F)cc2F)CC1 ZINC001325738726 1388036984 /nfs/dbraw/zinc/03/69/84/1388036984.db2.gz ODZTVSMFDKGRCI-MRXNPFEDSA-N 1 1 345.384 3.008 20 10 EGCDMO CC(C)[N@@H+](C)Cc1cnc2n1CCN(Cc1ccccc1O)[C@@H]2C ZINC001203552189 1370167146 /nfs/dbraw/zinc/16/71/46/1370167146.db2.gz DIFXSVUXHFSCLH-OAHLLOKOSA-N 1 1 328.460 3.006 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@@H](Oc3cccc(C)n3)C2)c1O ZINC001203601888 1370183980 /nfs/dbraw/zinc/18/39/80/1370183980.db2.gz PQAWJKDZUUGKBA-MRXNPFEDSA-N 1 1 328.412 3.148 20 10 EGCDMO COc1ccc(C[N@H+]2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001203621281 1370190206 /nfs/dbraw/zinc/19/02/06/1370190206.db2.gz RBFPHBYERMTNDS-SJORKVTESA-N 1 1 340.467 3.496 20 10 EGCDMO COc1ccc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001203621281 1370190207 /nfs/dbraw/zinc/19/02/07/1370190207.db2.gz RBFPHBYERMTNDS-SJORKVTESA-N 1 1 340.467 3.496 20 10 EGCDMO COc1ccc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c(O)c1 ZINC001203621281 1370190208 /nfs/dbraw/zinc/19/02/08/1370190208.db2.gz RBFPHBYERMTNDS-SJORKVTESA-N 1 1 340.467 3.496 20 10 EGCDMO C[C@H]1C[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@H]2O1 ZINC001203639782 1370196666 /nfs/dbraw/zinc/19/66/66/1370196666.db2.gz KIVKQZVDJLGNSM-ITDIGPHOSA-N 1 1 326.234 3.154 20 10 EGCDMO COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203659667 1370206007 /nfs/dbraw/zinc/20/60/07/1370206007.db2.gz XHJMMSRROOLJGX-DLBZAZTESA-N 1 1 325.836 3.063 20 10 EGCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)c1 ZINC001203665427 1370208180 /nfs/dbraw/zinc/20/81/80/1370208180.db2.gz JSVVZJAWKHKVIW-HNNXBMFYSA-N 1 1 334.803 3.103 20 10 EGCDMO COc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203665460 1370208472 /nfs/dbraw/zinc/20/84/72/1370208472.db2.gz LHLIZYBLQZBPCO-HNNXBMFYSA-N 1 1 348.830 3.493 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)c1 ZINC001203681020 1370216046 /nfs/dbraw/zinc/21/60/46/1370216046.db2.gz KXNBFDBSFMJTAP-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001203681020 1370216049 /nfs/dbraw/zinc/21/60/49/1370216049.db2.gz KXNBFDBSFMJTAP-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001203681020 1370216054 /nfs/dbraw/zinc/21/60/54/1370216054.db2.gz KXNBFDBSFMJTAP-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(C[N@@H+]2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001203840175 1370285776 /nfs/dbraw/zinc/28/57/76/1370285776.db2.gz KLXORMYJFCOZHH-UHFFFAOYSA-N 1 1 329.396 3.063 20 10 EGCDMO COc1ccc(C[N@H+]2CCCc3cc(O)c(O)cc3C2)cc1OC ZINC001203840175 1370285781 /nfs/dbraw/zinc/28/57/81/1370285781.db2.gz KLXORMYJFCOZHH-UHFFFAOYSA-N 1 1 329.396 3.063 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccc(O)c(O)c2)C2CC2)C1 ZINC001203882008 1370298127 /nfs/dbraw/zinc/29/81/27/1370298127.db2.gz ZKMFDKTVBWBJDJ-OAHLLOKOSA-N 1 1 348.443 3.072 20 10 EGCDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)c(O)c2)cc1 ZINC001203884674 1370298948 /nfs/dbraw/zinc/29/89/48/1370298948.db2.gz XFTYTXLTMNGZOS-INIZCTEOSA-N 1 1 327.380 3.222 20 10 EGCDMO CN(C)c1ccc(CN2C[C@@H]3C[NH+](Cc4cccs4)C[C@H]3C2)cc1 ZINC001203930742 1370319038 /nfs/dbraw/zinc/31/90/38/1370319038.db2.gz HARFCTVLIOZVFA-QZTJIDSGSA-N 1 1 341.524 3.378 20 10 EGCDMO CN(C)c1ccc(C[NH+]2CCN(c3ccc4c(c3)CCC4=O)CC2)cc1 ZINC001203935310 1370321532 /nfs/dbraw/zinc/32/15/32/1370321532.db2.gz CJBZEHRVIVPIEL-UHFFFAOYSA-N 1 1 349.478 3.204 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2Cc3cn(C)nc3[C@@H](COC)C2)cc1 ZINC001203940599 1370323682 /nfs/dbraw/zinc/32/36/82/1370323682.db2.gz QVBSIDPEQGZPOW-GOSISDBHSA-N 1 1 342.487 3.012 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](n3ccnn3)C2)c2ccccc21 ZINC001204240500 1370418889 /nfs/dbraw/zinc/41/88/89/1370418889.db2.gz VPDXCMUZCSYWPS-QGZVFWFLSA-N 1 1 335.455 3.334 20 10 EGCDMO COC(=O)c1ccc([C@@H]2CCC[N@H+]2Cc2ccc(O)cc2O)cc1 ZINC001204280715 1370431420 /nfs/dbraw/zinc/43/14/20/1370431420.db2.gz CKAZMYDXRJNWPQ-KRWDZBQOSA-N 1 1 327.380 3.222 20 10 EGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc(O)c(O)c(OC)c2)cc1 ZINC001204342526 1370448568 /nfs/dbraw/zinc/44/85/68/1370448568.db2.gz MQOZMKPREVLGEP-MRXNPFEDSA-N 1 1 329.396 3.452 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@](C)([NH3+])CC2)c1 ZINC001205288130 1370708067 /nfs/dbraw/zinc/70/80/67/1370708067.db2.gz GPHJDLVJJXFHOJ-HNNXBMFYSA-N 1 1 327.266 3.166 20 10 EGCDMO N[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1F ZINC001206197900 1370989958 /nfs/dbraw/zinc/98/99/58/1370989958.db2.gz KGGCLNQDTXBBJC-MSOLQXFVSA-N 1 1 332.394 3.460 20 10 EGCDMO N[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)ccc2O)CC[C@H]1F ZINC001206197900 1370989959 /nfs/dbraw/zinc/98/99/59/1370989959.db2.gz KGGCLNQDTXBBJC-MSOLQXFVSA-N 1 1 332.394 3.460 20 10 EGCDMO C[C@]1(C[NH3+])CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001206317799 1371020100 /nfs/dbraw/zinc/02/01/00/1371020100.db2.gz ISIQUCMWMSMBPT-HNNXBMFYSA-N 1 1 345.256 3.245 20 10 EGCDMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001117721896 1371069541 /nfs/dbraw/zinc/06/95/41/1371069541.db2.gz BAXJMKQTFPPTIV-LBPRGKRZSA-N 1 1 337.826 3.373 20 10 EGCDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC001117721896 1371069547 /nfs/dbraw/zinc/06/95/47/1371069547.db2.gz BAXJMKQTFPPTIV-LBPRGKRZSA-N 1 1 337.826 3.373 20 10 EGCDMO Cc1cc(CN2CCCC[C@H](C[NH3+])C2)c(O)cc1Br ZINC001206649061 1371119071 /nfs/dbraw/zinc/11/90/71/1371119071.db2.gz PGQDFCIVFWLYOJ-GFCCVEGCSA-N 1 1 327.266 3.024 20 10 EGCDMO CC(C)Oc1ncccc1CC[N@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001208800260 1371900664 /nfs/dbraw/zinc/90/06/64/1371900664.db2.gz LJTAPMIMESZWEP-UHFFFAOYSA-N 1 1 342.439 3.271 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C[NH+]2CCC(S(C)(=O)=O)CC2)cc1 ZINC001209518835 1372126967 /nfs/dbraw/zinc/12/69/67/1372126967.db2.gz UEMQCMJADACFKI-UHFFFAOYSA-N 1 1 346.496 3.103 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C[N@@H+](C[C@@H](O)CO)C(C)(C)C)cc1 ZINC001209516505 1372127222 /nfs/dbraw/zinc/12/72/22/1372127222.db2.gz IYDJWNQALCQHIW-LJQANCHMSA-N 1 1 330.472 3.048 20 10 EGCDMO COC1C[C@@H]2COC[C@H](C1)[N@@H+]2Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518869 1372127275 /nfs/dbraw/zinc/12/72/75/1372127275.db2.gz VIVPRRDKECFQFE-WCRBZPEASA-N 1 1 340.467 3.472 20 10 EGCDMO COC1C[C@@H]2COC[C@H](C1)[N@H+]2Cc1ccc(-n2c(C)ccc2C)cc1 ZINC001209518869 1372127277 /nfs/dbraw/zinc/12/72/77/1372127277.db2.gz VIVPRRDKECFQFE-WCRBZPEASA-N 1 1 340.467 3.472 20 10 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/nfs/dbraw/zinc/27/30/26/1376273026.db2.gz KJQVZGFYXJPXPG-XJKSGUPXSA-N 1 1 334.460 3.436 20 10 EGCDMO CCOC[C@@H]1C[N@H+](Cc2cc(Cl)c(C)cc2O)Cc2c1cnn2C ZINC001231867181 1376328236 /nfs/dbraw/zinc/32/82/36/1376328236.db2.gz IGJYCGAIEVYYRR-AWEZNQCLSA-N 1 1 349.862 3.223 20 10 EGCDMO CCOC[C@@H]1C[N@@H+](Cc2cc(Cl)c(C)cc2O)Cc2c1cnn2C ZINC001231867181 1376328244 /nfs/dbraw/zinc/32/82/44/1376328244.db2.gz IGJYCGAIEVYYRR-AWEZNQCLSA-N 1 1 349.862 3.223 20 10 EGCDMO COC1CC[NH+](C2CCN(Cc3cccc(Cl)c3O)CC2)CC1 ZINC001231913786 1376348504 /nfs/dbraw/zinc/34/85/04/1376348504.db2.gz RNXNGVWGHSJTFH-UHFFFAOYSA-N 1 1 338.879 3.121 20 10 EGCDMO COc1ccc(-c2c(C[N@@H+](C)Cc3ccccc3O)cnn2C)cc1 ZINC001232112657 1376401293 /nfs/dbraw/zinc/40/12/93/1376401293.db2.gz NDUJUBLGXXFRKV-UHFFFAOYSA-N 1 1 337.423 3.433 20 10 EGCDMO FC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(Cl)c2)C1 ZINC001232202642 1376416786 /nfs/dbraw/zinc/41/67/86/1376416786.db2.gz CQCQGQQAMGFHTM-HNNXBMFYSA-N 1 1 326.843 3.358 20 10 EGCDMO 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/nfs/dbraw/zinc/21/23/19/1378212319.db2.gz NCRWTFHHNWCQHO-UHFFFAOYSA-N 1 1 347.411 3.059 20 10 EGCDMO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423928 1378222773 /nfs/dbraw/zinc/22/27/73/1378222773.db2.gz WJKFQYZVFACXQB-NRFANRHFSA-N 1 1 342.483 3.494 20 10 EGCDMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc3c(c1O)C=CC(C)(C)O3)C2 ZINC001277423928 1378222776 /nfs/dbraw/zinc/22/27/76/1378222776.db2.gz WJKFQYZVFACXQB-NRFANRHFSA-N 1 1 342.483 3.494 20 10 EGCDMO COC(=O)[C@@H]1CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141078838 1378234157 /nfs/dbraw/zinc/23/41/57/1378234157.db2.gz LBPYUMGVWGPPFG-QGZVFWFLSA-N 1 1 342.483 3.161 20 10 EGCDMO CN1CCOc2cc(C[N@@H+]3CC[C@H](OC(=O)OC(C)(C)C)C3)ccc21 ZINC001141140420 1378247671 /nfs/dbraw/zinc/24/76/71/1378247671.db2.gz LQGQDJDJJQWBCZ-HNNXBMFYSA-N 1 1 348.443 3.041 20 10 EGCDMO CN1CCOc2cc(C[N@H+]3CC[C@H](OC(=O)OC(C)(C)C)C3)ccc21 ZINC001141140420 1378247679 /nfs/dbraw/zinc/24/76/79/1378247679.db2.gz LQGQDJDJJQWBCZ-HNNXBMFYSA-N 1 1 348.443 3.041 20 10 EGCDMO CN1CCOc2cc(C[N@H+]3CCC[C@H](C(=O)OC(C)(C)C)C3)ccc21 ZINC001141142883 1378248700 /nfs/dbraw/zinc/24/87/00/1378248700.db2.gz FEMHVGKLMNSHMM-INIZCTEOSA-N 1 1 346.471 3.069 20 10 EGCDMO C[N@@H+](Cc1ccccc1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159185 1378253067 /nfs/dbraw/zinc/25/30/67/1378253067.db2.gz BJEBFTWKFBUOJZ-UHFFFAOYSA-N 1 1 326.440 3.194 20 10 EGCDMO Oc1ccc(O)c(C[N@H+]2CCCC3(CN(Cc4ccccc4)C3)C2)c1 ZINC001141162650 1378255552 /nfs/dbraw/zinc/25/55/52/1378255552.db2.gz YOFWVBXGMVYCFQ-UHFFFAOYSA-N 1 1 338.451 3.196 20 10 EGCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517731 1378452352 /nfs/dbraw/zinc/45/23/52/1378452352.db2.gz YDRNQYQSUPMSTE-FZKQIMNGSA-N 1 1 341.398 3.078 20 10 EGCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517731 1378452353 /nfs/dbraw/zinc/45/23/53/1378452353.db2.gz YDRNQYQSUPMSTE-FZKQIMNGSA-N 1 1 341.398 3.078 20 10 EGCDMO COCC[N@@H+](Cc1cccc(C(C)(C)C)c1O)C1CCN(C)CC1 ZINC001143110655 1378542409 /nfs/dbraw/zinc/54/24/09/1378542409.db2.gz NDQSXVCECBDZKD-UHFFFAOYSA-N 1 1 334.504 3.232 20 10 EGCDMO CC1(C)C[N@H+](Cc2cc(Br)c(F)cc2O)[C@](C)(CO)C1 ZINC001144299269 1378712778 /nfs/dbraw/zinc/71/27/78/1378712778.db2.gz UHVILBRACQVRNA-HNNXBMFYSA-N 1 1 346.240 3.277 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc(Br)c(F)cc2O)[C@](C)(CO)C1 ZINC001144299269 1378712783 /nfs/dbraw/zinc/71/27/83/1378712783.db2.gz UHVILBRACQVRNA-HNNXBMFYSA-N 1 1 346.240 3.277 20 10 EGCDMO CC[N@@H+](Cc1c(O)cc(O)cc1O)[C@H](C)Cc1ccc(OC)cc1 ZINC001144499588 1378738391 /nfs/dbraw/zinc/73/83/91/1378738391.db2.gz JCHXCPYQPGIWDW-CYBMUJFWSA-N 1 1 331.412 3.265 20 10 EGCDMO COc1ccc(C2=CC[N@@H+](Cc3c(O)cc(O)cc3O)CC2)cc1 ZINC001144515699 1378739708 /nfs/dbraw/zinc/73/97/08/1378739708.db2.gz DRSJXOLXQRNMPK-UHFFFAOYSA-N 1 1 327.380 3.101 20 10 EGCDMO Cc1cnc(N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@H]45)[C@@H]32)c(C)n1 ZINC001155630647 1380476256 /nfs/dbraw/zinc/47/62/56/1380476256.db2.gz PXACARDXGBILIV-MTQWCTHYSA-N 1 1 338.499 3.493 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCc3cc(O)c(O)cc3C2)nc1)C1CC1 ZINC001155945654 1380507297 /nfs/dbraw/zinc/50/72/97/1380507297.db2.gz ZWKMFIWEBYEEBB-UHFFFAOYSA-N 1 1 339.439 3.040 20 10 EGCDMO CCCC[N@@H+](CC)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157210013 1380810971 /nfs/dbraw/zinc/81/09/71/1380810971.db2.gz WDGYWWASEJGACN-CYBMUJFWSA-N 1 1 333.436 3.089 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(NCCCN2CC[NH+](C)CC2)cc1 ZINC001161708709 1382486653 /nfs/dbraw/zinc/48/66/53/1382486653.db2.gz SEUHYRZTSUGLGS-UHFFFAOYSA-N 1 1 326.488 3.144 20 10 EGCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001167341039 1383603538 /nfs/dbraw/zinc/60/35/38/1383603538.db2.gz DGCKXAPMVHFKPA-HNNXBMFYSA-N 1 1 333.476 3.194 20 10 EGCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC001167341039 1383603541 /nfs/dbraw/zinc/60/35/41/1383603541.db2.gz DGCKXAPMVHFKPA-HNNXBMFYSA-N 1 1 333.476 3.194 20 10 EGCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC1CSC1)N=[N+]=[N-] ZINC001168359795 1383882336 /nfs/dbraw/zinc/88/23/36/1383882336.db2.gz MULFCIGKBQMKOB-MLPAPPSSSA-N 1 1 333.417 3.440 20 10 EGCDMO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001168455284 1383911276 /nfs/dbraw/zinc/91/12/76/1383911276.db2.gz FSAWCUPJTLNOCQ-QGZVFWFLSA-N 1 1 341.474 3.298 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]3C3CCC3)cc2F)CC1 ZINC001319814704 1386311755 /nfs/dbraw/zinc/31/17/55/1386311755.db2.gz IQRFZZGYWUMSRT-IBGZPJMESA-N 1 1 331.479 3.342 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC001320424225 1386605855 /nfs/dbraw/zinc/60/58/55/1386605855.db2.gz HSQKAKBKSYVWIL-UBDQQSCGSA-N 1 1 344.499 3.216 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC001320424222 1386606202 /nfs/dbraw/zinc/60/62/02/1386606202.db2.gz HSQKAKBKSYVWIL-BZZMCLGOSA-N 1 1 344.499 3.216 20 10 EGCDMO Cc1c(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnn1-c1cc[nH+]cc1 ZINC001321382889 1386891010 /nfs/dbraw/zinc/89/10/10/1386891010.db2.gz MWAJGWSQQUBUBT-CQSZACIVSA-N 1 1 349.438 3.133 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001321753149 1386975753 /nfs/dbraw/zinc/97/57/53/1386975753.db2.gz VODBBYQUHORUPZ-MOPGFXCFSA-N 1 1 343.515 3.223 20 10 EGCDMO Nc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001336284907 1389058904 /nfs/dbraw/zinc/05/89/04/1389058904.db2.gz DOJVMCKJFAYKDL-UHFFFAOYSA-N 1 1 343.858 3.270 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2N2CCN(C)CC2)c(O)c1 ZINC001337785712 1389442319 /nfs/dbraw/zinc/44/23/19/1389442319.db2.gz QNXJTTBRSGQLAD-KRWDZBQOSA-N 1 1 339.483 3.303 20 10 EGCDMO CCC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1O ZINC001331350301 1389713902 /nfs/dbraw/zinc/71/39/02/1389713902.db2.gz NPPNYZYMIZTCQS-MRXNPFEDSA-N 1 1 326.440 3.482 20 10 EGCDMO CN(Cc1ccccc1O)C(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)c1 ZINC001331526375 1389783478 /nfs/dbraw/zinc/78/34/78/1389783478.db2.gz WSASBECZBYTYDY-SFHVURJKSA-N 1 1 338.451 3.474 20 10 EGCDMO C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1ccc(F)cc1O ZINC001342407271 1390609898 /nfs/dbraw/zinc/60/98/98/1390609898.db2.gz GWHBFMZTRIMPGK-JTQLQIEISA-N 1 1 326.318 3.421 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H]4OCCC[C@@H]4C3)cc2)CC1 ZINC001347825584 1391130857 /nfs/dbraw/zinc/13/08/57/1391130857.db2.gz BVYWVCLYSJTIJN-NQIIRXRSSA-N 1 1 344.499 3.303 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCCC(F)(F)CC3)cc2F)CC1 ZINC001351629318 1391660358 /nfs/dbraw/zinc/66/03/58/1391660358.db2.gz WRWDBIYRWCLTTB-UHFFFAOYSA-N 1 1 341.421 3.199 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c(C)cnn2COC)cc1 ZINC001355215359 1392197697 /nfs/dbraw/zinc/19/76/97/1392197697.db2.gz HYSRECIDKVLSNR-UHFFFAOYSA-N 1 1 330.476 3.274 20 10 EGCDMO C[N@H+](CC(=O)NCc1ccco1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571545 453576670 /nfs/dbraw/zinc/57/66/70/453576670.db2.gz PCLDQNFMNUMNSC-UHFFFAOYSA-N 1 1 341.455 3.018 20 10 EGCDMO C[N@@H+](CC(=O)NCc1ccco1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571545 453576674 /nfs/dbraw/zinc/57/66/74/453576674.db2.gz PCLDQNFMNUMNSC-UHFFFAOYSA-N 1 1 341.455 3.018 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245798104 455381131 /nfs/dbraw/zinc/38/11/31/455381131.db2.gz XJZGNDBWEZLPJL-NHYWBVRUSA-N 1 1 326.234 3.156 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000076074311 453958495 /nfs/dbraw/zinc/95/84/95/453958495.db2.gz FSIFWPFWYSUSJD-HNNXBMFYSA-N 1 1 337.427 3.341 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)c1nnnn1-c1ccccc1 ZINC000076074311 453958498 /nfs/dbraw/zinc/95/84/98/453958498.db2.gz FSIFWPFWYSUSJD-HNNXBMFYSA-N 1 1 337.427 3.341 20 10 EGCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(N(C)C)cc1 ZINC000043862439 454081530 /nfs/dbraw/zinc/08/15/30/454081530.db2.gz NKTMNYQWVHDKQL-KRWDZBQOSA-N 1 1 346.519 3.206 20 10 EGCDMO C[N@H+](Cc1c(O)cccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000119583954 454205843 /nfs/dbraw/zinc/20/58/43/454205843.db2.gz AFLPQECVISXSNE-HNNXBMFYSA-N 1 1 335.831 3.055 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1)OCO2 ZINC000091891487 454484152 /nfs/dbraw/zinc/48/41/52/454484152.db2.gz MBQVIYZICUHCSU-UKRRQHHQSA-N 1 1 347.436 3.271 20 10 EGCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC000092005440 454502631 /nfs/dbraw/zinc/50/26/31/454502631.db2.gz OJHSBSBGGVXQFT-MRXNPFEDSA-N 1 1 339.439 3.255 20 10 EGCDMO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000052466900 454675835 /nfs/dbraw/zinc/67/58/35/454675835.db2.gz RETCGIIXUPENKQ-OAHLLOKOSA-N 1 1 344.459 3.475 20 10 EGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nc(C(C)C)no3)CC2)cc1 ZINC000052466900 454675837 /nfs/dbraw/zinc/67/58/37/454675837.db2.gz RETCGIIXUPENKQ-OAHLLOKOSA-N 1 1 344.459 3.475 20 10 EGCDMO CCN(C[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1)CC(F)(F)F ZINC000093771114 454734970 /nfs/dbraw/zinc/73/49/70/454734970.db2.gz CISFLDLATBZUPN-CYBMUJFWSA-N 1 1 346.393 3.107 20 10 EGCDMO COCc1ccc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)o1 ZINC000137082139 454768199 /nfs/dbraw/zinc/76/81/99/454768199.db2.gz GBIQSHBFEZDHBK-OAHLLOKOSA-N 1 1 347.411 3.486 20 10 EGCDMO C[C@@H](CNC(=O)N(C)Cc1ccccc1O)[N@@H+](C)Cc1ccccc1 ZINC000111875717 454877342 /nfs/dbraw/zinc/87/73/42/454877342.db2.gz PGNBLGYJESICEU-INIZCTEOSA-N 1 1 341.455 3.054 20 10 EGCDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]CCc2nc[nH]n2)cc1 ZINC000119177069 455130283 /nfs/dbraw/zinc/13/02/83/455130283.db2.gz GBCAMZWSRMLDIP-UHFFFAOYSA-N 1 1 335.455 3.164 20 10 EGCDMO CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185195729 455519788 /nfs/dbraw/zinc/51/97/88/455519788.db2.gz PYEKZHCBMBHMCW-CQSZACIVSA-N 1 1 330.403 3.231 20 10 EGCDMO C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2ccccc2c1[O-] ZINC000185647941 455589413 /nfs/dbraw/zinc/58/94/13/455589413.db2.gz XERPTCXFBTXHND-INIZCTEOSA-N 1 1 341.499 3.222 20 10 EGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000271432684 455634588 /nfs/dbraw/zinc/63/45/88/455634588.db2.gz BFVXVKUYXSMIGV-ORYQWCPZSA-N 1 1 345.531 3.171 20 10 EGCDMO C[N@@H+](Cc1ccccc1O)[C@@H](CO)c1cccc(Br)c1 ZINC000271452446 455642513 /nfs/dbraw/zinc/64/25/13/455642513.db2.gz UWUQGVBMKIEZHI-HNNXBMFYSA-N 1 1 336.229 3.320 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000268311390 455647437 /nfs/dbraw/zinc/64/74/37/455647437.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N 1 1 347.386 3.415 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(O)c1 ZINC000186127404 455699158 /nfs/dbraw/zinc/69/91/58/455699158.db2.gz BSMDCAHPHTUXNA-LZQZEXGQSA-N 1 1 332.488 3.119 20 10 EGCDMO Oc1cc(F)cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000186158029 455706603 /nfs/dbraw/zinc/70/66/03/455706603.db2.gz DYUXADNWLQXTNP-GOSISDBHSA-N 1 1 331.387 3.418 20 10 EGCDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192993028 455731554 /nfs/dbraw/zinc/73/15/54/455731554.db2.gz CTLCXAYOCNLMBZ-BDAKNGLRSA-N 1 1 340.272 3.173 20 10 EGCDMO CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192993055 455731685 /nfs/dbraw/zinc/73/16/85/455731685.db2.gz CTLCXAYOCNLMBZ-RKDXNWHRSA-N 1 1 340.272 3.173 20 10 EGCDMO CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1=O ZINC000192998224 455732670 /nfs/dbraw/zinc/73/26/70/455732670.db2.gz HIQVPEWWUZNZGB-TVQRCGJNSA-N 1 1 331.243 3.359 20 10 EGCDMO COc1c(O)c(C[N@H+](C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216905 455788822 /nfs/dbraw/zinc/78/88/22/455788822.db2.gz LBHAMHQMWCFGQR-HNNXBMFYSA-N 1 1 328.368 3.428 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216905 455788826 /nfs/dbraw/zinc/78/88/26/455788826.db2.gz LBHAMHQMWCFGQR-HNNXBMFYSA-N 1 1 328.368 3.428 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1N(C)C ZINC000293793978 455797453 /nfs/dbraw/zinc/79/74/53/455797453.db2.gz MSBMVQMDLGLELB-KRWDZBQOSA-N 1 1 339.487 3.436 20 10 EGCDMO Cc1cc(C[N@@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1N(C)C ZINC000293793978 455797457 /nfs/dbraw/zinc/79/74/57/455797457.db2.gz MSBMVQMDLGLELB-KRWDZBQOSA-N 1 1 339.487 3.436 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)ccc1N(C)C ZINC000293793978 455797460 /nfs/dbraw/zinc/79/74/60/455797460.db2.gz MSBMVQMDLGLELB-KRWDZBQOSA-N 1 1 339.487 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CCC[C@@]1(C)C(=O)NCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000783741491 1305136690 /nfs/dbraw/zinc/13/66/90/1305136690.db2.gz PSCZPEMLYHNKAX-FQEVSTJZSA-N 1 1 329.488 3.168 20 10 EGCDMO CCC[C@@]1(C)C(=O)NCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000783741491 1305136696 /nfs/dbraw/zinc/13/66/96/1305136696.db2.gz PSCZPEMLYHNKAX-FQEVSTJZSA-N 1 1 329.488 3.168 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1O ZINC000785540478 1305374449 /nfs/dbraw/zinc/37/44/49/1305374449.db2.gz JXRUGXSNELNRQV-PKWAYOAASA-N 1 1 325.836 3.230 20 10 EGCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]1C ZINC000787421152 1305742723 /nfs/dbraw/zinc/74/27/23/1305742723.db2.gz NVFNFLUAJJMVKD-RDTXWAMCSA-N 1 1 325.408 3.443 20 10 EGCDMO COc1ccc(C[NH2+][C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1OC ZINC000893347069 1305843784 /nfs/dbraw/zinc/84/37/84/1305843784.db2.gz YTWCMOOMBGMOBS-AWEZNQCLSA-N 1 1 347.415 3.157 20 10 EGCDMO C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O ZINC000788560149 1305971044 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/nfs/dbraw/zinc/81/10/94/1380811094.db2.gz FRTPHFILKWICBR-CQSZACIVSA-N 1 1 347.463 3.479 20 10 EGCDMO COCc1ccccc1NCc1ccc(N2CC[NH+](C)CC2)c(F)c1 ZINC001328655949 1388799525 /nfs/dbraw/zinc/79/95/25/1388799525.db2.gz RDZZBVDAFQODEI-UHFFFAOYSA-N 1 1 343.446 3.336 20 10 EGCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1NC1CC(=O)C1)N=[N+]=[N-] ZINC001167335531 1383601656 /nfs/dbraw/zinc/60/16/56/1383601656.db2.gz ACNMOURRCOCHQZ-NSIKDUERSA-N 1 1 329.360 3.056 20 10 EGCDMO CN(C)c1cc(F)c(C[NH2+]Cc2cnn(CC(F)(F)F)c2)cc1F ZINC001328923450 1388902775 /nfs/dbraw/zinc/90/27/75/1388902775.db2.gz RWLUGYDIMDPNTO-UHFFFAOYSA-N 1 1 348.319 3.079 20 10 EGCDMO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)c3cccnc3c2O)C1 ZINC001170512237 1384332207 /nfs/dbraw/zinc/33/22/07/1384332207.db2.gz JOOMXMNTKLHHPK-ZYHUDNBSSA-N 1 1 334.803 3.025 20 10 EGCDMO COc1ccc(N2CC[NH+](C3Cc4cc(F)c(F)cc4C3)CC2)cc1 ZINC001173480261 1384978255 /nfs/dbraw/zinc/97/82/55/1384978255.db2.gz STCIMTKOCMWOOQ-UHFFFAOYSA-N 1 1 344.405 3.263 20 10 EGCDMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180129875 1386706088 /nfs/dbraw/zinc/70/60/88/1386706088.db2.gz LHICBWRSNPJMMX-JIIJFUIFSA-N 1 1 329.488 3.147 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@H]1O ZINC001181506021 1387006869 /nfs/dbraw/zinc/00/68/69/1387006869.db2.gz NBOMIIGNYIJETB-FOIQADDNSA-N 1 1 327.424 3.174 20 10 EGCDMO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(N)cc1)c1ccccc1Cl ZINC001336715374 1389144005 /nfs/dbraw/zinc/14/40/05/1389144005.db2.gz KOUGWIGJWSTQJW-KRWDZBQOSA-N 1 1 346.862 3.024 20 10 EGCDMO Cc1sc(C[NH3+])nc1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001340180335 1390243497 /nfs/dbraw/zinc/24/34/97/1390243497.db2.gz LKSFEUHCPGFNLU-UHFFFAOYSA-N 1 1 346.500 3.027 20 10 EGCDMO Cc1nc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)sc1C ZINC001333657365 1390367172 /nfs/dbraw/zinc/36/71/72/1390367172.db2.gz CPYVHOQXCWHWEI-UHFFFAOYSA-N 1 1 349.475 3.150 20 10 EGCDMO OCC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC001333907147 1390435444 /nfs/dbraw/zinc/43/54/44/1390435444.db2.gz GFCNSKARIARWEK-GFCCVEGCSA-N 1 1 328.250 3.139 20 10 EGCDMO COc1c(O)c(C[N@H+](Cc2ccccn2)CC(C)C)ccc1[N+](=O)[O-] ZINC001335111701 1390643475 /nfs/dbraw/zinc/64/34/75/1390643475.db2.gz DHYGXFGBVVNGIK-UHFFFAOYSA-N 1 1 345.399 3.362 20 10 EGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCC2)cc1 ZINC001343286397 1390705131 /nfs/dbraw/zinc/70/51/31/1390705131.db2.gz SDTNQOUCLXRVNE-SFHVURJKSA-N 1 1 329.488 3.168 20 10 EGCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183169701 455243192 /nfs/dbraw/zinc/24/31/92/455243192.db2.gz HFKDXNBJTRABFL-NVXWUHKLSA-N 1 1 327.424 3.174 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000091855745 454481643 /nfs/dbraw/zinc/48/16/43/454481643.db2.gz DYKCNBKTUZJOLJ-RBUKOAKNSA-N 1 1 332.513 3.383 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091926328 454490036 /nfs/dbraw/zinc/49/00/36/454490036.db2.gz JKDSTJIVCJYFLQ-PMACEKPBSA-N 1 1 330.472 3.057 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000091926328 454490042 /nfs/dbraw/zinc/49/00/42/454490042.db2.gz JKDSTJIVCJYFLQ-PMACEKPBSA-N 1 1 330.472 3.057 20 10 EGCDMO CCS(=O)(=O)C[C@@H](C)[N@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093416958 454714804 /nfs/dbraw/zinc/71/48/04/454714804.db2.gz QDPHIOVTAHIXPW-OAHLLOKOSA-N 1 1 347.480 3.314 20 10 EGCDMO CCS(=O)(=O)C[C@@H](C)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093416958 454714807 /nfs/dbraw/zinc/71/48/07/454714807.db2.gz QDPHIOVTAHIXPW-OAHLLOKOSA-N 1 1 347.480 3.314 20 10 EGCDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cc(C)ccc1O ZINC000178857228 454985178 /nfs/dbraw/zinc/98/51/78/454985178.db2.gz SCYQSBWLHUSSQB-UHFFFAOYSA-N 1 1 328.412 3.170 20 10 EGCDMO Cc1cccc(C[N@@H+](C)Cc2ccccc2N2CCOCC2)c1O ZINC000179616367 455061318 /nfs/dbraw/zinc/06/13/18/455061318.db2.gz LEZJSYFDDLSQHR-UHFFFAOYSA-N 1 1 326.440 3.169 20 10 EGCDMO Cn1ccnc1COc1ccc(C[N@@H+](C)Cc2ccccc2O)cc1 ZINC000171925607 455102929 /nfs/dbraw/zinc/10/29/29/455102929.db2.gz IKWVGQRLQQGPNE-UHFFFAOYSA-N 1 1 337.423 3.337 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@H]3OCCC[C@@H]3C2)c1O ZINC000180316150 455157223 /nfs/dbraw/zinc/15/72/23/455157223.db2.gz CKIAYLIRBAMINM-IUODEOHRSA-N 1 1 340.261 3.464 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3C)C2)cc1OC ZINC000160290787 455444678 /nfs/dbraw/zinc/44/46/78/455444678.db2.gz RKLOGBVHEQFXDO-HXUWFJFHSA-N 1 1 343.423 3.291 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3C)C2)cc1OC ZINC000160290787 455444684 /nfs/dbraw/zinc/44/46/84/455444684.db2.gz RKLOGBVHEQFXDO-HXUWFJFHSA-N 1 1 343.423 3.291 20 10 EGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1ccc(F)cc1O ZINC000184966826 455479097 /nfs/dbraw/zinc/47/90/97/455479097.db2.gz KRMJEZMCDFFKPP-LBPRGKRZSA-N 1 1 332.375 3.080 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1O ZINC000185072063 455496268 /nfs/dbraw/zinc/49/62/68/455496268.db2.gz FUVFODWJCZZART-ZDUSSCGKSA-N 1 1 348.393 3.358 20 10 EGCDMO OC1CCN(c2ccc(CNc3cc[nH+]cc3Cl)cc2F)CC1 ZINC000267278582 455529965 /nfs/dbraw/zinc/52/99/65/455529965.db2.gz OFZMTTRCKGRWKR-UHFFFAOYSA-N 1 1 335.810 3.447 20 10 EGCDMO C[C@H](c1nccs1)N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000185613604 455584784 /nfs/dbraw/zinc/58/47/84/455584784.db2.gz JLAKGCONWGRZOS-OAHLLOKOSA-N 1 1 330.501 3.088 20 10 EGCDMO C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192591571 455648591 /nfs/dbraw/zinc/64/85/91/455648591.db2.gz SDTLSQXBZQXYMT-NSHDSACASA-N 1 1 333.259 3.072 20 10 EGCDMO C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192674398 455666855 /nfs/dbraw/zinc/66/68/55/455666855.db2.gz ITVZINLXZIXKCX-GHMZBOCLSA-N 1 1 333.259 3.070 20 10 EGCDMO Cc1cc(Br)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1O ZINC000271856165 455788156 /nfs/dbraw/zinc/78/81/56/455788156.db2.gz UXMFRJNVOBNEEN-ZDUSSCGKSA-N 1 1 336.233 3.353 20 10 EGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)c(O)c1 ZINC000285321136 455824232 /nfs/dbraw/zinc/82/42/32/455824232.db2.gz TWNLMSVDCGYVJF-JQHSSLGASA-N 1 1 332.488 3.037 20 10 EGCDMO COc1ccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278568120 455839980 /nfs/dbraw/zinc/83/99/80/455839980.db2.gz CESPRYSWYYAARW-UHFFFAOYSA-N 1 1 346.383 3.040 20 10 EGCDMO COc1ccc(C[NH2+][C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1C ZINC000278796002 455847989 /nfs/dbraw/zinc/84/79/89/455847989.db2.gz QZGGQQBIEKXTTD-CQSZACIVSA-N 1 1 337.427 3.343 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)cc2)CC1 ZINC000295424616 455849132 /nfs/dbraw/zinc/84/91/32/455849132.db2.gz ULQQCWXKPWCZRL-JXFKEZNVSA-N 1 1 332.488 3.301 20 10 EGCDMO CCC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)Cc1ccccc1O ZINC000295489960 455850540 /nfs/dbraw/zinc/85/05/40/455850540.db2.gz XPUOJYYARDGCDD-UHFFFAOYSA-N 1 1 326.396 3.135 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1O ZINC000295834213 455860803 /nfs/dbraw/zinc/86/08/03/455860803.db2.gz CNUVDJAIWKSJGJ-XKQJLSEDSA-N 1 1 335.831 3.295 20 10 EGCDMO O=C(/C=C\c1cncc(F)c1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000255266999 455863893 /nfs/dbraw/zinc/86/38/93/455863893.db2.gz KJAFVITXDUQAGJ-ZEVQVBBLSA-N 1 1 337.398 3.245 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000285730532 455905511 /nfs/dbraw/zinc/90/55/11/455905511.db2.gz QPFWIAWGLUYFEH-SMDDNHRTSA-N 1 1 334.357 3.456 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000272693282 456041819 /nfs/dbraw/zinc/04/18/19/456041819.db2.gz XHYRWLFMDCDHJE-HUUCEWRRSA-N 1 1 334.460 3.436 20 10 EGCDMO CC(=O)c1cc(F)cc(C[NH+]2CCC(c3cc(C)[nH]n3)CC2)c1O ZINC000272922753 456114263 /nfs/dbraw/zinc/11/42/63/456114263.db2.gz JATOXUUTNPRAEP-UHFFFAOYSA-N 1 1 331.391 3.145 20 10 EGCDMO COCOc1ccc(OC)cc1CNc1ccc2c(c1)[nH+]cn2C ZINC000271211115 456174502 /nfs/dbraw/zinc/17/45/02/456174502.db2.gz KWVVJQGNFITNPD-UHFFFAOYSA-N 1 1 327.384 3.177 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382865 456227428 /nfs/dbraw/zinc/22/74/28/456227428.db2.gz ISOBMXWOLDFAKU-NEPJUHHUSA-N 1 1 344.367 3.499 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cc(F)cc(OC)c2)c1 ZINC000273467749 456232804 /nfs/dbraw/zinc/23/28/04/456232804.db2.gz JCLIFDDGBMDUBP-NSHDSACASA-N 1 1 333.359 3.177 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CCCO)c2ccccc2)c1 ZINC000273593450 456238840 /nfs/dbraw/zinc/23/88/40/456238840.db2.gz PYBOSNAYYFTFFT-KBXCAEBGSA-N 1 1 343.423 3.343 20 10 EGCDMO CCc1nnc(C[NH2+][C@@H](C)c2ccc(Br)cc2O)s1 ZINC000290099538 456240021 /nfs/dbraw/zinc/24/00/21/456240021.db2.gz HYATXMDEISPUSC-QMMMGPOBSA-N 1 1 342.262 3.419 20 10 EGCDMO Cc1cc(C(=O)NC[C@H]2CCc3[nH+]ccn3C2)c(C)n1-c1ccccc1 ZINC000275330126 456272723 /nfs/dbraw/zinc/27/27/23/456272723.db2.gz JZKMKWOLEFUDGT-QGZVFWFLSA-N 1 1 348.450 3.283 20 10 EGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@@H](C)C1 ZINC000282178849 456433978 /nfs/dbraw/zinc/43/39/78/456433978.db2.gz FMZHHDJCJBLIAX-SMDDNHRTSA-N 1 1 328.250 3.462 20 10 EGCDMO CO[C@@H]1CC[N@@H+](Cc2cc(Br)cc(C)c2O)[C@H](C)C1 ZINC000282178838 456434789 /nfs/dbraw/zinc/43/47/89/456434789.db2.gz FMZHHDJCJBLIAX-BXUZGUMPSA-N 1 1 328.250 3.462 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000282421632 456508711 /nfs/dbraw/zinc/50/87/11/456508711.db2.gz IQQFFGLIVQWLKW-JTQLQIEISA-N 1 1 330.331 3.224 20 10 EGCDMO CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1O ZINC000276629541 456535237 /nfs/dbraw/zinc/53/52/37/456535237.db2.gz SMANISCWLIMRIN-UHFFFAOYSA-N 1 1 346.402 3.007 20 10 EGCDMO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccco1 ZINC000299415141 456687054 /nfs/dbraw/zinc/68/70/54/456687054.db2.gz LZEQYZGBQKSSEG-UHFFFAOYSA-N 1 1 343.471 3.215 20 10 EGCDMO CC(C)[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccco1 ZINC000299415141 456687062 /nfs/dbraw/zinc/68/70/62/456687062.db2.gz LZEQYZGBQKSSEG-UHFFFAOYSA-N 1 1 343.471 3.215 20 10 EGCDMO CCC[N@H+](Cc1ccccc1O)Cc1c(Cl)ncnc1N(C)C ZINC000283023599 456692361 /nfs/dbraw/zinc/69/23/61/456692361.db2.gz HBSVFFOASBMFSQ-UHFFFAOYSA-N 1 1 334.851 3.314 20 10 EGCDMO 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343.471 3.206 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2ccc(C)nc2)c(OC)c1 ZINC001141029118 1378213040 /nfs/dbraw/zinc/21/30/40/1378213040.db2.gz JESPNNAXZIYBTO-KRWDZBQOSA-N 1 1 328.412 3.450 20 10 EGCDMO c1c(C[N@H+]2CCC[C@@H]2CN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001141076251 1378232371 /nfs/dbraw/zinc/23/23/71/1378232371.db2.gz OJJSAULLYXJWLE-OAQYLSRUSA-N 1 1 339.527 3.446 20 10 EGCDMO c1c(C[N@@H+]2CCC[C@@H]2CN2CCCC2)cc2c3c1CCCN3CCC2 ZINC001141076251 1378232375 /nfs/dbraw/zinc/23/23/75/1378232375.db2.gz OJJSAULLYXJWLE-OAQYLSRUSA-N 1 1 339.527 3.446 20 10 EGCDMO c1c(C[N@H+]2CC[C@@H]3OCCC[C@@H]3C2)cc2c3c1CCCN3CCC2 ZINC001141074519 1378232582 /nfs/dbraw/zinc/23/25/82/1378232582.db2.gz KQKXXKBGLYAASE-UXHICEINSA-N 1 1 326.484 3.386 20 10 EGCDMO CN1CCOc2cc(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)ccc21 ZINC001141139264 1378247339 /nfs/dbraw/zinc/24/73/39/1378247339.db2.gz OUGSCNBIROFHCF-HXUWFJFHSA-N 1 1 337.467 3.004 20 10 EGCDMO CN1CC[N@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](c2ccccc2)C1 ZINC001141139264 1378247349 /nfs/dbraw/zinc/24/73/49/1378247349.db2.gz OUGSCNBIROFHCF-HXUWFJFHSA-N 1 1 337.467 3.004 20 10 EGCDMO CN1CC[N@@H+](Cc2ccc3c(c2)OCCN3C)[C@@H](c2ccccc2)C1 ZINC001141139264 1378247352 /nfs/dbraw/zinc/24/73/52/1378247352.db2.gz OUGSCNBIROFHCF-HXUWFJFHSA-N 1 1 337.467 3.004 20 10 EGCDMO CN1CCOc2cc(C[N@H+]3CC[C@@H](Oc4cccc(F)c4)C3)ccc21 ZINC001141146120 1378248501 /nfs/dbraw/zinc/24/85/01/1378248501.db2.gz LHHXIODTTJKWCQ-GOSISDBHSA-N 1 1 342.414 3.308 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)OCCN3C)c(OC)c1 ZINC001141144266 1378248990 /nfs/dbraw/zinc/24/89/90/1378248990.db2.gz XVOYUGIPKSZJPZ-UHFFFAOYSA-N 1 1 342.439 3.164 20 10 EGCDMO CNc1nc(Cl)ncc1C[N@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001142491404 1378448054 /nfs/dbraw/zinc/44/80/54/1378448054.db2.gz NGXRZGMMRGSWNS-UHFFFAOYSA-N 1 1 345.878 3.404 20 10 EGCDMO CNc1nc(Cl)ncc1C[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001142491404 1378448056 /nfs/dbraw/zinc/44/80/56/1378448056.db2.gz NGXRZGMMRGSWNS-UHFFFAOYSA-N 1 1 345.878 3.404 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)Cc2cnn(C(=O)OC(C)(C)C)c2)cc1 ZINC001142805480 1378489120 /nfs/dbraw/zinc/48/91/20/1378489120.db2.gz DZGWDOJTRDEDEH-UHFFFAOYSA-N 1 1 344.459 3.364 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(C(=O)OC(C)(C)C)c2)cc1 ZINC001142805480 1378489123 /nfs/dbraw/zinc/48/91/23/1378489123.db2.gz DZGWDOJTRDEDEH-UHFFFAOYSA-N 1 1 344.459 3.364 20 10 EGCDMO CCOC(=O)C1=C(O)CC[N@@H+](Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143110803 1378542027 /nfs/dbraw/zinc/54/20/27/1378542027.db2.gz PQEVTMLDCYHCBG-OAHLLOKOSA-N 1 1 347.455 3.034 20 10 EGCDMO COC(=O)c1ccc2[nH]cc(C[N@H+]3CCc4cccc(O)c4C3)c2c1 ZINC001143239307 1378568390 /nfs/dbraw/zinc/56/83/90/1378568390.db2.gz OYGCFXDWPYDJLB-UHFFFAOYSA-N 1 1 336.391 3.218 20 10 EGCDMO CC[NH+](CC)CCN(C)Cc1cc(Br)c(F)cc1O ZINC001144299009 1378713163 /nfs/dbraw/zinc/71/31/63/1378713163.db2.gz OPEARMSSHJVLLB-UHFFFAOYSA-N 1 1 333.245 3.067 20 10 EGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144306860 1378713859 /nfs/dbraw/zinc/71/38/59/1378713859.db2.gz UQBMWOMPRAPMDR-CYBMUJFWSA-N 1 1 332.213 3.029 20 10 EGCDMO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1cc(Br)c(F)cc1O ZINC001144306860 1378713867 /nfs/dbraw/zinc/71/38/67/1378713867.db2.gz UQBMWOMPRAPMDR-CYBMUJFWSA-N 1 1 332.213 3.029 20 10 EGCDMO CC(C)(O)[C@H]1CCC[N@H+]1Cc1cc(Br)c(F)cc1O ZINC001144306860 1378713870 /nfs/dbraw/zinc/71/38/70/1378713870.db2.gz UQBMWOMPRAPMDR-CYBMUJFWSA-N 1 1 332.213 3.029 20 10 EGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)c(O)c1 ZINC001144520632 1378740083 /nfs/dbraw/zinc/74/00/83/1378740083.db2.gz WWSANZCZFBDKFF-HXUWFJFHSA-N 1 1 343.398 3.423 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC001328687702 1388808667 /nfs/dbraw/zinc/80/86/67/1388808667.db2.gz BPKHINHBNADGDC-CALCHBBNSA-N 1 1 347.503 3.258 20 10 EGCDMO CC[C@@H](C)OCC[C@@H](C)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC001172318532 1384768620 /nfs/dbraw/zinc/76/86/20/1384768620.db2.gz JSTWISDJWTZZRI-QZTJIDSGSA-N 1 1 333.520 3.122 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+](C)Cc3ccccc3)cc2F)CC1 ZINC001319513142 1386154709 /nfs/dbraw/zinc/15/47/09/1386154709.db2.gz NECJSAFNIWGSAC-UHFFFAOYSA-N 1 1 327.447 3.210 20 10 EGCDMO Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C(C)C)C1 ZINC001181981233 1387086295 /nfs/dbraw/zinc/08/62/95/1387086295.db2.gz WGFYEQKCHIFCNI-DNVCBOLYSA-N 1 1 344.499 3.479 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1)c1c(O)cccc1F ZINC001331252537 1389668452 /nfs/dbraw/zinc/66/84/52/1389668452.db2.gz GOBHDQARRNLRFW-ZBFHGGJFSA-N 1 1 342.414 3.487 20 10 EGCDMO COc1ccc(C[N@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1OC ZINC001333808618 1390411925 /nfs/dbraw/zinc/41/19/25/1390411925.db2.gz NHDVGASRXBRUPJ-UHFFFAOYSA-N 1 1 333.432 3.062 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2cc(C(C)(C)C)n[nH]2)c(O)c1OC ZINC001333808618 1390411926 /nfs/dbraw/zinc/41/19/26/1390411926.db2.gz NHDVGASRXBRUPJ-UHFFFAOYSA-N 1 1 333.432 3.062 20 10 EGCDMO CN(C)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc[nH+]1 ZINC001349710247 1391357178 /nfs/dbraw/zinc/35/71/78/1391357178.db2.gz HDRAQUKXIXPGCQ-UHFFFAOYSA-N 1 1 339.443 3.070 20 10 EGCDMO [O-]c1cccc(Br)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC001351330942 1391627833 /nfs/dbraw/zinc/62/78/33/1391627833.db2.gz OUEWMEBNFBXWCU-UHFFFAOYSA-N 1 1 339.277 3.119 20 10 EGCDMO CCC[N@H+](CC=C(C)C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001753150670 1440327714 /nfs/dbraw/zinc/32/77/14/1440327714.db2.gz MWVPHNFQQOHOOC-UHFFFAOYSA-N 1 1 345.447 3.257 20 10 EGCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528415578 313088270 /nfs/dbraw/zinc/08/82/70/313088270.db2.gz FTUNDUICNBMBCC-MRXNPFEDSA-N 1 1 348.805 3.422 20 10 EGCDMO CC[C@@H]([NH2+]C1CCN(CCCOC)CC1)c1ccc(N(C)C)cc1 ZINC000159136350 455354971 /nfs/dbraw/zinc/35/49/71/455354971.db2.gz MDDUGEMPWGHUDO-HXUWFJFHSA-N 1 1 333.520 3.294 20 10 EGCDMO CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2nncn2C)cc1 ZINC000119390113 454191991 /nfs/dbraw/zinc/19/19/91/454191991.db2.gz AZOSAZHTYQWHDN-UHFFFAOYSA-N 1 1 335.455 3.131 20 10 EGCDMO Oc1cc2c(cc1C[N@H+](Cc1cccs1)C[C@@H]1CCCO1)OCO2 ZINC000119607038 454207839 /nfs/dbraw/zinc/20/78/39/454207839.db2.gz KVLPYQPVEVQNPS-AWEZNQCLSA-N 1 1 347.436 3.364 20 10 EGCDMO CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2ccccc2O)c1 ZINC000064229520 454469024 /nfs/dbraw/zinc/46/90/24/454469024.db2.gz RKVDNIUZQGNMLC-UHFFFAOYSA-N 1 1 341.455 3.186 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1)OCO2 ZINC000091891491 454484062 /nfs/dbraw/zinc/48/40/62/454484062.db2.gz MBQVIYZICUHCSU-HIFRSBDPSA-N 1 1 347.436 3.271 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000091958275 454494265 /nfs/dbraw/zinc/49/42/65/454494265.db2.gz PLLXPLAVLZKWKE-HOTGVXAUSA-N 1 1 331.412 3.472 20 10 EGCDMO CCOc1c(OC)cc(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000091974625 454497838 /nfs/dbraw/zinc/49/78/38/454497838.db2.gz XOWWRZHKYBYTPW-UHFFFAOYSA-N 1 1 331.412 3.440 20 10 EGCDMO Cc1ccc(O)c(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000092645332 454599517 /nfs/dbraw/zinc/59/95/17/454599517.db2.gz IPVYMLMJNNTTBO-UHFFFAOYSA-N 1 1 339.483 3.235 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708538 454615130 /nfs/dbraw/zinc/61/51/30/454615130.db2.gz LFULHDLTAMCISP-MRXNPFEDSA-N 1 1 334.460 3.062 20 10 EGCDMO CC(C)NC(=O)C[N@@H+](Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000176676608 454770520 /nfs/dbraw/zinc/77/05/20/454770520.db2.gz QCOIWGLHPHEMEX-MRXNPFEDSA-N 1 1 326.440 3.480 20 10 EGCDMO COc1ccccc1[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000153528212 454803345 /nfs/dbraw/zinc/80/33/45/454803345.db2.gz YGNCTNVASHPXOC-CYBMUJFWSA-N 1 1 327.380 3.119 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125926878 454856617 /nfs/dbraw/zinc/85/66/17/454856617.db2.gz INEQISDJUGLJPU-AWEZNQCLSA-N 1 1 333.453 3.297 20 10 EGCDMO Cc1ccc(O)c(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000125926878 454856620 /nfs/dbraw/zinc/85/66/20/454856620.db2.gz INEQISDJUGLJPU-AWEZNQCLSA-N 1 1 333.453 3.297 20 10 EGCDMO Cc1cccc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000179674568 455066016 /nfs/dbraw/zinc/06/60/16/455066016.db2.gz KAANHEXMZMKWLF-UHFFFAOYSA-N 1 1 342.414 3.188 20 10 EGCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)nc1 ZINC000179938199 455102467 /nfs/dbraw/zinc/10/24/67/455102467.db2.gz JRFIYJIOQHZUAT-CQSZACIVSA-N 1 1 343.402 3.085 20 10 EGCDMO COc1cccc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)c1O ZINC000174668929 455411078 /nfs/dbraw/zinc/41/10/78/455411078.db2.gz IXOMUDHZSURILH-NSHDSACASA-N 1 1 343.358 3.441 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)c1O ZINC000184744833 455440343 /nfs/dbraw/zinc/44/03/43/455440343.db2.gz FLTOMFYEKATBJA-ZDUSSCGKSA-N 1 1 341.835 3.029 20 10 EGCDMO COc1cccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000191600583 455501638 /nfs/dbraw/zinc/50/16/38/455501638.db2.gz KAKWVJHVCRVUBI-ZDUSSCGKSA-N 1 1 339.395 3.225 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1OC ZINC000292383218 455646623 /nfs/dbraw/zinc/64/66/23/455646623.db2.gz HNYYKMQIBLTNNN-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)[C@@H]2c2ccncc2)cc1OC ZINC000292383218 455646626 /nfs/dbraw/zinc/64/66/26/455646626.db2.gz HNYYKMQIBLTNNN-SFHVURJKSA-N 1 1 328.412 3.388 20 10 EGCDMO COc1ccc([C@@H](CN(C)C)[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000284230757 455654507 /nfs/dbraw/zinc/65/45/07/455654507.db2.gz DJUXSAIFFYWQFH-SCLBCKFNSA-N 1 1 332.419 3.493 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534001 455674754 /nfs/dbraw/zinc/67/47/54/455674754.db2.gz RRZWXBGPGFKJHE-CXAGYDPISA-N 1 1 344.434 3.114 20 10 EGCDMO C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1O ZINC000186019220 455676817 /nfs/dbraw/zinc/67/68/17/455676817.db2.gz NKBAXTAGCHXVJP-HNNXBMFYSA-N 1 1 336.451 3.217 20 10 EGCDMO Cc1ccc([C@@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c(O)c1 ZINC000186127439 455699239 /nfs/dbraw/zinc/69/92/39/455699239.db2.gz BSMDCAHPHTUXNA-MNEFBYGVSA-N 1 1 332.488 3.119 20 10 EGCDMO C[C@H]([NH2+]Cc1nnc2n1CCC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000268789970 455714741 /nfs/dbraw/zinc/71/47/41/455714741.db2.gz XLHNMRKIMLYIKH-AWEZNQCLSA-N 1 1 343.450 3.205 20 10 EGCDMO COc1c(O)c(C[NH2+]C(C)(C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278102783 455758588 /nfs/dbraw/zinc/75/85/88/455758588.db2.gz AFLJEJSZKZYRTR-UHFFFAOYSA-N 1 1 334.347 3.473 20 10 EGCDMO CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cc(OC)c(OC)cc1O ZINC000271835112 455779995 /nfs/dbraw/zinc/77/99/95/455779995.db2.gz RUMLMCQRUZUXAF-UHFFFAOYSA-N 1 1 345.395 3.160 20 10 EGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2ccc(N(C)C)c(C)c2)cc1 ZINC000293424036 455785725 /nfs/dbraw/zinc/78/57/25/455785725.db2.gz IXESFVPPFGDXSS-UHFFFAOYSA-N 1 1 325.456 3.053 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285305954 455821230 /nfs/dbraw/zinc/82/12/30/455821230.db2.gz WDWBSIJVWCTYPP-UKRRQHHQSA-N 1 1 326.234 3.298 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCC[C@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278478613 455837291 /nfs/dbraw/zinc/83/72/91/455837291.db2.gz ITYZNOKZLRVJDL-RYUDHWBXSA-N 1 1 326.418 3.073 20 10 EGCDMO COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000278762903 455846960 /nfs/dbraw/zinc/84/69/60/455846960.db2.gz OUAMZUGXCKAKFA-WDEREUQCSA-N 1 1 333.259 3.070 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](OC)C[C@H]3C)cc2)CC1 ZINC000295424628 455849006 /nfs/dbraw/zinc/84/90/06/455849006.db2.gz ULQQCWXKPWCZRL-OXQOHEQNSA-N 1 1 332.488 3.301 20 10 EGCDMO CC[C@H]([NH2+]Cc1cccnc1OCCOC)c1ccc(F)cc1O ZINC000285474437 455852328 /nfs/dbraw/zinc/85/23/28/455852328.db2.gz BBQRNVSLFOUNGI-INIZCTEOSA-N 1 1 334.391 3.192 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295600693 455854678 /nfs/dbraw/zinc/85/46/78/455854678.db2.gz XGHSYVQFNQDQTP-AWEZNQCLSA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000295600693 455854683 /nfs/dbraw/zinc/85/46/83/455854683.db2.gz XGHSYVQFNQDQTP-AWEZNQCLSA-N 1 1 325.836 3.231 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+]([C@@H](C)CO)C3CCCC3)cc2)CC1 ZINC000295793244 455859845 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CC[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000187636755 455932131 /nfs/dbraw/zinc/93/21/31/455932131.db2.gz MYISZZPPAKXEEE-QGZVFWFLSA-N 1 1 325.836 3.233 20 10 EGCDMO CC[C@@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000187636755 455932138 /nfs/dbraw/zinc/93/21/38/455932138.db2.gz MYISZZPPAKXEEE-QGZVFWFLSA-N 1 1 325.836 3.233 20 10 EGCDMO OCc1ccc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000272496842 455970067 /nfs/dbraw/zinc/97/00/67/455970067.db2.gz NKVDZUMVWFOPJU-LJQANCHMSA-N 1 1 327.424 3.066 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000280807782 456057033 /nfs/dbraw/zinc/05/70/33/456057033.db2.gz TXMQNYGPJOJYKK-CTYIDZIISA-N 1 1 346.358 3.484 20 10 EGCDMO CC[N@@H+](Cc1cccc(OC)c1O)Cc1ccc(OC)cc1OC ZINC000271078655 456119608 /nfs/dbraw/zinc/11/96/08/456119608.db2.gz IBODPXWSMRZOGB-UHFFFAOYSA-N 1 1 331.412 3.440 20 10 EGCDMO COc1cccc(C[N@H+](C)Cc2nc(-c3cccs3)no2)c1O ZINC000289379182 456123226 /nfs/dbraw/zinc/12/32/26/456123226.db2.gz 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[O-]c1ccc(Cl)c(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843125937 1321473854 /nfs/dbraw/zinc/47/38/54/1321473854.db2.gz DAAGTQYIECTSOP-QWHCGFSZSA-N 1 1 326.843 3.396 20 10 EGCDMO Oc1cc(OCc2ccccc2)ccc1CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000843126756 1321474584 /nfs/dbraw/zinc/47/45/84/1321474584.db2.gz MQZFEGGUTLTTMN-FXAWDEMLSA-N 1 1 338.451 3.155 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(Br)cc1[O-] ZINC000843343851 1321502522 /nfs/dbraw/zinc/50/25/22/1321502522.db2.gz IDTHTBMQJSCWAR-NSHDSACASA-N 1 1 335.245 3.464 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1[O-] ZINC000843387832 1321509718 /nfs/dbraw/zinc/50/97/18/1321509718.db2.gz JBZUFSYKWKPSOK-UONOGXRCSA-N 1 1 336.863 3.070 20 10 EGCDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845079121 1321674756 /nfs/dbraw/zinc/67/47/56/1321674756.db2.gz ZMUCQKWUXKQYCZ-INIZCTEOSA-N 1 1 345.830 3.032 20 10 EGCDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845079121 1321674760 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/nfs/dbraw/zinc/14/74/13/455147413.db2.gz FHPJCZAWNSGJKN-LBPRGKRZSA-N 1 1 328.250 3.322 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000157071638 455164023 /nfs/dbraw/zinc/16/40/23/455164023.db2.gz GGKZOVBSDYRJRX-HNNXBMFYSA-N 1 1 344.459 3.409 20 10 EGCDMO CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])CC1 ZINC000185014387 455486629 /nfs/dbraw/zinc/48/66/29/455486629.db2.gz LMHPYOSHYBMGCS-HNNXBMFYSA-N 1 1 339.911 3.114 20 10 EGCDMO CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185013929 455487028 /nfs/dbraw/zinc/48/70/28/455487028.db2.gz NOUICZSLNRVQGL-KRWDZBQOSA-N 1 1 341.499 3.224 20 10 EGCDMO COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000185145224 455510198 /nfs/dbraw/zinc/51/01/98/455510198.db2.gz YCJWABGLUTUJHO-NSHDSACASA-N 1 1 347.286 3.460 20 10 EGCDMO CC(=O)N1CCN(c2ccc(CNc3cc[nH+]cc3Cl)cc2)CC1 ZINC000191858245 455526068 /nfs/dbraw/zinc/52/60/68/455526068.db2.gz NXBQHRWXKTYCOO-UHFFFAOYSA-N 1 1 344.846 3.016 20 10 EGCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2ccccc2c1O ZINC000185367056 455549433 /nfs/dbraw/zinc/54/94/33/455549433.db2.gz OIHXJXBHAJNYFY-KRWDZBQOSA-N 1 1 341.499 3.224 20 10 EGCDMO C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000185367056 455549440 /nfs/dbraw/zinc/54/94/40/455549440.db2.gz OIHXJXBHAJNYFY-KRWDZBQOSA-N 1 1 341.499 3.224 20 10 EGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000271432677 455634548 /nfs/dbraw/zinc/63/45/48/455634548.db2.gz BFVXVKUYXSMIGV-DQLDELGASA-N 1 1 345.531 3.171 20 10 EGCDMO CC(=O)Nc1cccc(OCC[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185966494 455662848 /nfs/dbraw/zinc/66/28/48/455662848.db2.gz SARLTIKLMUMLSI-LBPRGKRZSA-N 1 1 332.375 3.219 20 10 EGCDMO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000192808744 455698473 /nfs/dbraw/zinc/69/84/73/455698473.db2.gz WQRZUUTYTLOPDL-PSASIEDQSA-N 1 1 341.242 3.265 20 10 EGCDMO C[C@@H]1CN(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029991 455738741 /nfs/dbraw/zinc/73/87/41/455738741.db2.gz WWOTZJKNLWIUCJ-LJQANCHMSA-N 1 1 345.531 3.267 20 10 EGCDMO C[C@H]([NH2+][C@H](CCO)c1ccco1)c1ccc(N2CCOCC2)c(F)c1 ZINC000186528602 455787300 /nfs/dbraw/zinc/78/73/00/455787300.db2.gz GMFOBPKHGFBUJH-WMLDXEAASA-N 1 1 348.418 3.030 20 10 EGCDMO CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294735001 455825227 /nfs/dbraw/zinc/82/52/27/455825227.db2.gz GYVCRTWADZNQIE-OAHLLOKOSA-N 1 1 345.512 3.198 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000294806000 455828780 /nfs/dbraw/zinc/82/87/80/455828780.db2.gz COKPCJUSPFJQIW-WOJBJXKFSA-N 1 1 330.472 3.055 20 10 EGCDMO CNC(=O)CCC[N@@H+](C)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294854661 455829730 /nfs/dbraw/zinc/82/97/30/455829730.db2.gz PBRKPYILEMDVNS-UHFFFAOYSA-N 1 1 345.512 3.343 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](Cc2cccc(C(N)=O)c2)C2CC2)c1 ZINC000294877234 455831334 /nfs/dbraw/zinc/83/13/34/455831334.db2.gz VHLYADNLRZZLMH-UHFFFAOYSA-N 1 1 340.423 3.054 20 10 EGCDMO CCN(CC)c1ccc(C[NH2+][C@H](c2nccn2C)C(C)(C)CO)cc1 ZINC000294964904 455834577 /nfs/dbraw/zinc/83/45/77/455834577.db2.gz FGLBGQNEDPDGQB-GOSISDBHSA-N 1 1 344.503 3.116 20 10 EGCDMO CCn1nc(C)c(C[NH2+]Cc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000295212269 455842018 /nfs/dbraw/zinc/84/20/18/455842018.db2.gz QBYTXZRCVBEWGM-UHFFFAOYSA-N 1 1 327.476 3.133 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C[C@@H]3CCOC3)C3CC3)cc2)CC1 ZINC000295507668 455851680 /nfs/dbraw/zinc/85/16/80/455851680.db2.gz LFOCJDOERRBQFO-SFHVURJKSA-N 1 1 344.499 3.303 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)COc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278928135 455854355 /nfs/dbraw/zinc/85/43/55/455854355.db2.gz VVVLJGBREMGKOS-ZDUSSCGKSA-N 1 1 346.383 3.175 20 10 EGCDMO CC[C@H](c1ccc(F)cc1O)[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296506386 455958518 /nfs/dbraw/zinc/95/85/18/455958518.db2.gz PICMKEHCJHUAEW-JJRVBVJISA-N 1 1 342.414 3.263 20 10 EGCDMO CC[C@H](c1ccc(F)cc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296506386 455958522 /nfs/dbraw/zinc/95/85/22/455958522.db2.gz PICMKEHCJHUAEW-JJRVBVJISA-N 1 1 342.414 3.263 20 10 EGCDMO C[C@@H](O)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000289084195 456114761 /nfs/dbraw/zinc/11/47/61/456114761.db2.gz KTELLVXIWMYISC-UKRRQHHQSA-N 1 1 348.468 3.083 20 10 EGCDMO C[C@@H](O)c1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000289084195 456114767 /nfs/dbraw/zinc/11/47/67/456114767.db2.gz KTELLVXIWMYISC-UKRRQHHQSA-N 1 1 348.468 3.083 20 10 EGCDMO CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccccc1O ZINC000289377952 456123682 /nfs/dbraw/zinc/12/36/82/456123682.db2.gz CAYJJYMUXPATBE-IBGZPJMESA-N 1 1 325.456 3.274 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)C[C@H]2OCCc3ccccc32)cc1OC ZINC000271106403 456127871 /nfs/dbraw/zinc/12/78/71/456127871.db2.gz RXCPBPVKYSRRQY-HXUWFJFHSA-N 1 1 343.423 3.155 20 10 EGCDMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1O ZINC000289649638 456134638 /nfs/dbraw/zinc/13/46/38/456134638.db2.gz MSVZSIUWBOWAKD-QRVBRYPASA-N 1 1 339.435 3.405 20 10 EGCDMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1O ZINC000289649632 456134814 /nfs/dbraw/zinc/13/48/14/456134814.db2.gz MSVZSIUWBOWAKD-GUDVDZBRSA-N 1 1 339.435 3.405 20 10 EGCDMO CCOC(=O)C[N@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000297263590 456165413 /nfs/dbraw/zinc/16/54/13/456165413.db2.gz WDUFNOBHFCNXMU-UHFFFAOYSA-N 1 1 348.487 3.075 20 10 EGCDMO CCOC(=O)C[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)C(C)C ZINC000297263590 456165416 /nfs/dbraw/zinc/16/54/16/456165416.db2.gz WDUFNOBHFCNXMU-UHFFFAOYSA-N 1 1 348.487 3.075 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000271242123 456188214 /nfs/dbraw/zinc/18/82/14/456188214.db2.gz YXRFSEQLKOZRDV-HNNXBMFYSA-N 1 1 343.427 3.431 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)c2nc(C)cs2)c1 ZINC000273381565 456226503 /nfs/dbraw/zinc/22/65/03/456226503.db2.gz CEEKQUJNYGLUHB-ZYHUDNBSSA-N 1 1 334.441 3.398 20 10 EGCDMO COCc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273417996 456229085 /nfs/dbraw/zinc/22/90/85/456229085.db2.gz RHKKBVCLRVEAFX-CYBMUJFWSA-N 1 1 329.396 3.176 20 10 EGCDMO COCc1cc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)ccc1F ZINC000273586053 456238434 /nfs/dbraw/zinc/23/84/34/456238434.db2.gz NTWYCGCKGMUTCV-LBPRGKRZSA-N 1 1 347.386 3.315 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2c2c(C)n[nH]c2C)cc1OC ZINC000290326967 456292198 /nfs/dbraw/zinc/29/21/98/456292198.db2.gz DLPFHMUEMMQIEM-AWEZNQCLSA-N 1 1 331.416 3.086 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000290523213 456353264 /nfs/dbraw/zinc/35/32/64/456353264.db2.gz QDFOODQWQNSXJN-INIZCTEOSA-N 1 1 337.423 3.415 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](C[C@@H](O)c3ccccc3F)CC2)cc1 ZINC000303118609 456446301 /nfs/dbraw/zinc/44/63/01/456446301.db2.gz XPNQBEOEBWJCPV-HXUWFJFHSA-N 1 1 344.430 3.080 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282463852 456522577 /nfs/dbraw/zinc/52/25/77/456522577.db2.gz GCMQWKHUZDONHR-CXAGYDPISA-N 1 1 333.428 3.179 20 10 EGCDMO O=C1CCCN1[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000276786761 456579603 /nfs/dbraw/zinc/57/96/03/456579603.db2.gz KKUPMAPFPHHYPB-LJQANCHMSA-N 1 1 336.435 3.256 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](n3cccn3)C2)c(C(F)(F)F)c1 ZINC000291353376 456615512 /nfs/dbraw/zinc/61/55/12/456615512.db2.gz XMWZLWHAJIKXGP-OAHLLOKOSA-N 1 1 338.377 3.415 20 10 EGCDMO CC(=O)NCC[N@H+](Cc1ccsc1)Cc1ccc(N(C)C)c(F)c1 ZINC000282935124 456668553 /nfs/dbraw/zinc/66/85/53/456668553.db2.gz GCNPLMUWZRIBDO-UHFFFAOYSA-N 1 1 349.475 3.092 20 10 EGCDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(N(C)C)c(F)c1 ZINC000282935124 456668558 /nfs/dbraw/zinc/66/85/58/456668558.db2.gz GCNPLMUWZRIBDO-UHFFFAOYSA-N 1 1 349.475 3.092 20 10 EGCDMO CCC[N@H+]1CC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000348707177 456822967 /nfs/dbraw/zinc/82/29/67/456822967.db2.gz QUWBJMSVTLXGBL-MRXNPFEDSA-N 1 1 342.487 3.018 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)c1O ZINC000370207582 457585973 /nfs/dbraw/zinc/58/59/73/457585973.db2.gz VYMLFXKFDVQGOP-ZDUSSCGKSA-N 1 1 347.846 3.361 20 10 EGCDMO CC[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)c1ccc(F)cc1O ZINC000367602983 457966129 /nfs/dbraw/zinc/96/61/29/457966129.db2.gz XMCNRHFRCUIBIY-BBRMVZONSA-N 1 1 333.382 3.385 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](c3nccn3C)C2)cc1F ZINC000367710142 457974815 /nfs/dbraw/zinc/97/48/15/457974815.db2.gz YMBOXWXPWQESOR-INIZCTEOSA-N 1 1 330.451 3.395 20 10 EGCDMO CC[N@H+]1C[C@@H](C)N(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@H]1C ZINC000472222355 458775425 /nfs/dbraw/zinc/77/54/25/458775425.db2.gz HWJGDGSIEDFYLG-LSDHHAIUSA-N 1 1 342.487 3.111 20 10 EGCDMO Cc1cc(C(=O)C[NH+]2CCC(CO)CC2)c(C)n1-c1cccc(C)c1 ZINC000728913193 574786062 /nfs/dbraw/zinc/78/60/62/574786062.db2.gz IPHJLLVYWQRCAL-UHFFFAOYSA-N 1 1 340.467 3.290 20 10 EGCDMO C[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[N@H+](C)C1CC1 ZINC000729685948 574879252 /nfs/dbraw/zinc/87/92/52/574879252.db2.gz OTTJFNLXPAQCCT-OAHLLOKOSA-N 1 1 346.475 3.157 20 10 EGCDMO C[C@H](CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[N@@H+](C)C1CC1 ZINC000729685948 574879255 /nfs/dbraw/zinc/87/92/55/574879255.db2.gz OTTJFNLXPAQCCT-OAHLLOKOSA-N 1 1 346.475 3.157 20 10 EGCDMO C[N@@H+](Cc1cn2cc(Br)ccc2n1)Cc1ccccc1O ZINC000731843802 575211847 /nfs/dbraw/zinc/21/18/47/575211847.db2.gz XDTFBRYDEZTMMU-UHFFFAOYSA-N 1 1 346.228 3.434 20 10 EGCDMO CN(C)c1ccc(CNC(=O)C[N@H+]2CCCC3(CCCCC3)C2)cc1 ZINC000732214935 575246070 /nfs/dbraw/zinc/24/60/70/575246070.db2.gz WGFHEXIBUSBCNG-UHFFFAOYSA-N 1 1 343.515 3.415 20 10 EGCDMO CC(C)[C@@H]1CC(=O)N(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000733293399 575325411 /nfs/dbraw/zinc/32/54/11/575325411.db2.gz NDUWKBCEXGUSES-GOSISDBHSA-N 1 1 331.504 3.425 20 10 EGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC000733324963 575327759 /nfs/dbraw/zinc/32/77/59/575327759.db2.gz NXAFCJFMWRHCHY-CYBMUJFWSA-N 1 1 334.357 3.435 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](OCC(F)(F)F)C2)cc1F ZINC000733324963 575327761 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EGCDMO COc1ccc(N(CCC[NH+]2CCOCC2)Cc2ccco2)cc1F ZINC000072682514 1292286481 /nfs/dbraw/zinc/28/64/81/1292286481.db2.gz MTJQVGUCGBCZNY-UHFFFAOYSA-N 1 1 348.418 3.156 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000827699830 1292358669 /nfs/dbraw/zinc/35/86/69/1292358669.db2.gz MPVZPFWAJYZVBO-DNVCBOLYSA-N 1 1 347.459 3.035 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@]1(C)CO ZINC000827699831 1292359205 /nfs/dbraw/zinc/35/92/05/1292359205.db2.gz MPVZPFWAJYZVBO-HNAYVOBHSA-N 1 1 347.459 3.035 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CCc3cccc(C)n3)CC2)cc1 ZINC000827802218 1292376759 /nfs/dbraw/zinc/37/67/59/1292376759.db2.gz CJNNHETZHZLNBQ-UHFFFAOYSA-N 1 1 325.456 3.153 20 10 EGCDMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1O ZINC000827937283 1292408085 /nfs/dbraw/zinc/40/80/85/1292408085.db2.gz QNMNJTXAZCUQGQ-RDTXWAMCSA-N 1 1 342.414 3.373 20 10 EGCDMO C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1O ZINC000827937283 1292408091 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EGCDMO C[C@H]1CN(CCC[NH2+]Cc2ccc(N3CCCCC3)cc2)CCCO1 ZINC000278029977 455739048 /nfs/dbraw/zinc/73/90/48/455739048.db2.gz WWOTZJKNLWIUCJ-IBGZPJMESA-N 1 1 345.531 3.267 20 10 EGCDMO C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000186600788 455803644 /nfs/dbraw/zinc/80/36/44/455803644.db2.gz URJBCQANEPUAHX-SJORKVTESA-N 1 1 341.499 3.222 20 10 EGCDMO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278463789 455836626 /nfs/dbraw/zinc/83/66/26/455836626.db2.gz FPCZTUNQRYQCOP-JSGCOSHPSA-N 1 1 340.445 3.463 20 10 EGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295269103 455844164 /nfs/dbraw/zinc/84/41/64/455844164.db2.gz YZTQVSACQPVLOB-OAQYLSRUSA-N 1 1 346.515 3.286 20 10 EGCDMO COc1ccc(C[NH2+][C@@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)cc1C ZINC000278795996 455848592 /nfs/dbraw/zinc/84/85/92/455848592.db2.gz QZGGQQBIEKXTTD-AWEZNQCLSA-N 1 1 337.427 3.343 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278921088 455852644 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EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)cc1 ZINC000288643858 456101215 /nfs/dbraw/zinc/10/12/15/456101215.db2.gz ATHDOSVWCWZABG-NRFANRHFSA-N 1 1 342.458 3.319 20 10 EGCDMO COc1ccsc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000271043866 456109010 /nfs/dbraw/zinc/10/90/10/456109010.db2.gz PRAVTMCOMXLHEI-UHFFFAOYSA-N 1 1 332.469 3.225 20 10 EGCDMO CCC[N@@H+](Cc1cc(OC)c(OC)cc1O)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000271055342 456114376 /nfs/dbraw/zinc/11/43/76/456114376.db2.gz ACJURLBSIAYDKW-KYNGSXCRSA-N 1 1 349.471 3.435 20 10 EGCDMO CCCOc1ccc(C[N@@H+](CCOC)Cc2cccnc2)c(O)c1 ZINC000289504562 456127341 /nfs/dbraw/zinc/12/73/41/456127341.db2.gz TZIXYZZKOZNAGU-UHFFFAOYSA-N 1 1 330.428 3.225 20 10 EGCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Nc2ncc(F)cn2)C1 ZINC000301764050 456209310 /nfs/dbraw/zinc/20/93/10/456209310.db2.gz HEKCIROYZPASOS-AWEZNQCLSA-N 1 1 336.798 3.051 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)c1 ZINC000273517884 456236558 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Cc1cc(Br)cc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)c1O ZINC000825090844 1320309139 /nfs/dbraw/zinc/30/91/39/1320309139.db2.gz JYROHBRIJQRRKX-AWEZNQCLSA-N 1 1 342.277 3.446 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000802657850 1317022961 /nfs/dbraw/zinc/02/29/61/1317022961.db2.gz AOYXJEZECLFBAH-UHFFFAOYSA-N 1 1 330.384 3.374 20 10 EGCDMO CC(C)OC1CCC([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CC1 ZINC000858213976 1328712958 /nfs/dbraw/zinc/71/29/58/1328712958.db2.gz ICZFPIVJTNNYOT-UHFFFAOYSA-N 1 1 345.531 3.264 20 10 EGCDMO [O-]c1ccc(Cl)c(F)c1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000809697493 1317866054 /nfs/dbraw/zinc/86/60/54/1317866054.db2.gz HWWITKSXIRVOEE-SCZZXKLOSA-N 1 1 341.732 3.177 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](CC)CC(=O)N2CCCCCC2)c1 ZINC000809714004 1317873643 /nfs/dbraw/zinc/87/36/43/1317873643.db2.gz UGOGKZWHTLZOJR-UHFFFAOYSA-N 1 1 334.460 3.015 20 10 EGCDMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(F)ccc1O ZINC000809735827 1317882761 /nfs/dbraw/zinc/88/27/61/1317882761.db2.gz UTEPBAFZHCIDQZ-LJQANCHMSA-N 1 1 343.446 3.413 20 10 EGCDMO Cc1cc(C(=O)O[C@@H](C)Cn2cc[nH+]c2C)c(C)n1-c1ccccn1 ZINC000810619394 1318033707 /nfs/dbraw/zinc/03/37/07/1318033707.db2.gz PSYBFJUHDZDLSE-AWEZNQCLSA-N 1 1 338.411 3.240 20 10 EGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000811802365 1318268599 /nfs/dbraw/zinc/26/85/99/1318268599.db2.gz XGEVOUOVMWGEPJ-AWEZNQCLSA-N 1 1 328.803 3.237 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)cc1 ZINC000812834260 1318467343 /nfs/dbraw/zinc/46/73/43/1318467343.db2.gz BFAKPFNUKMDTAZ-SFHVURJKSA-N 1 1 347.503 3.488 20 10 EGCDMO CC[N@H+]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)[C@H](C)C1 ZINC000910285490 1318598252 /nfs/dbraw/zinc/59/82/52/1318598252.db2.gz AOIWPHZGIHMOBV-MRXNPFEDSA-N 1 1 340.471 3.045 20 10 EGCDMO C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491002 1328778351 /nfs/dbraw/zinc/77/83/51/1328778351.db2.gz UYGPGQQVJRJBOI-SJORKVTESA-N 1 1 349.494 3.045 20 10 EGCDMO C[C@@H](NC[C@@H]1CCCC[N@@H+](C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000858491002 1328778352 /nfs/dbraw/zinc/77/83/52/1328778352.db2.gz UYGPGQQVJRJBOI-SJORKVTESA-N 1 1 349.494 3.045 20 10 EGCDMO CCC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)Cc1ccccc1O ZINC000816499754 1319167912 /nfs/dbraw/zinc/16/79/12/1319167912.db2.gz ZFKOGIMWTGJGQL-UHFFFAOYSA-N 1 1 326.396 3.249 20 10 EGCDMO CN(C)C(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)c1 ZINC000816532543 1319176317 /nfs/dbraw/zinc/17/63/17/1319176317.db2.gz LWOIORRZBAMFJG-UHFFFAOYSA-N 1 1 336.794 3.176 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1ccnc(-n2cccn2)c1 ZINC000816534725 1319177342 /nfs/dbraw/zinc/17/73/42/1319177342.db2.gz SDJOTRNOKPGJHT-UHFFFAOYSA-N 1 1 332.766 3.055 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]CCN1CCc2sccc2C1 ZINC000816538227 1319178188 /nfs/dbraw/zinc/17/81/88/1319178188.db2.gz JPEAVLCDNJXEJD-UHFFFAOYSA-N 1 1 340.851 3.394 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3ccc(Cl)cc3)C1)OCO2 ZINC000816659671 1319203151 /nfs/dbraw/zinc/20/31/51/1319203151.db2.gz WNMGWYVPKTUHAX-OAHLLOKOSA-N 1 1 347.798 3.428 20 10 EGCDMO COc1cccc(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)c1O ZINC000817413359 1319352620 /nfs/dbraw/zinc/35/26/20/1319352620.db2.gz XAMSIQSOCWKWRO-DZGCQCFKSA-N 1 1 335.444 3.343 20 10 EGCDMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(N(C)Cc3cccs3)cc2)C1 ZINC000817414042 1319352880 /nfs/dbraw/zinc/35/28/80/1319352880.db2.gz BMKNPYQHIQGSEG-QGZVFWFLSA-N 1 1 343.496 3.095 20 10 EGCDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@@H]2CCCOc3ccc(F)cc32)cc1 ZINC000817939304 1319465820 /nfs/dbraw/zinc/46/58/20/1319465820.db2.gz BAWGMGZGQGYSHR-RBUKOAKNSA-N 1 1 343.446 3.395 20 10 EGCDMO COc1ccc([C@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938325 1319465867 /nfs/dbraw/zinc/46/58/67/1319465867.db2.gz JBWHYQHZZYUMDZ-KSSFIOAISA-N 1 1 343.471 3.120 20 10 EGCDMO COc1ccc([C@H](C)NC[C@@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940553 1319467826 /nfs/dbraw/zinc/46/78/26/1319467826.db2.gz JUMWDMIEZZTDPU-MGPUTAFESA-N 1 1 327.472 3.420 20 10 EGCDMO CN(C)c1ccc([C@@H](N)C[NH2+][C@H](c2cncc(F)c2)C2CC2)cc1 ZINC000817942226 1319469574 /nfs/dbraw/zinc/46/95/74/1319469574.db2.gz NAWKIKPMINZRSA-OALUTQOASA-N 1 1 328.435 3.027 20 10 EGCDMO CN(C)c1ccc([C@H](N)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)cc1 ZINC000817942724 1319470708 /nfs/dbraw/zinc/47/07/08/1319470708.db2.gz QNWYUCVVVPTEMJ-RTBURBONSA-N 1 1 343.446 3.395 20 10 EGCDMO Cc1c([C@H](C)[NH2+]C[C@@H](N)c2ccc(N(C)C)cc2)cccc1[N+](=O)[O-] ZINC000817942551 1319470829 /nfs/dbraw/zinc/47/08/29/1319470829.db2.gz PMYRGEYVVMGTGA-KBXCAEBGSA-N 1 1 342.443 3.320 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CN[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000817943554 1319470898 /nfs/dbraw/zinc/47/08/98/1319470898.db2.gz VJQVRKTVBZERCF-RTBURBONSA-N 1 1 325.456 3.125 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1cc(Br)ccc1[O-] ZINC000817946654 1319471355 /nfs/dbraw/zinc/47/13/55/1319471355.db2.gz CJKPMOIWWMFUHC-SDDRHHMPSA-N 1 1 327.266 3.193 20 10 EGCDMO CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000817962431 1319478013 /nfs/dbraw/zinc/47/80/13/1319478013.db2.gz LYHMJDPPYSTBKJ-UWVGGRQHSA-N 1 1 333.245 3.462 20 10 EGCDMO C[C@H]1CC2(C[N@H+]1Cc1cccc(Br)c1[O-])CC[NH2+]CC2 ZINC000818431149 1319541197 /nfs/dbraw/zinc/54/11/97/1319541197.db2.gz GSCNQKNOTXRUMU-LBPRGKRZSA-N 1 1 339.277 3.119 20 10 EGCDMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC000917393580 1319799835 /nfs/dbraw/zinc/79/98/35/1319799835.db2.gz QGRHJKFWVBGTAL-HNNXBMFYSA-N 1 1 331.485 3.370 20 10 EGCDMO CN(Cc1cccs1)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000823490227 1320183649 /nfs/dbraw/zinc/18/36/49/1320183649.db2.gz XRYDTRHCGHIMTI-CALCHBBNSA-N 1 1 327.497 3.036 20 10 EGCDMO Cn1nc(C2CC2)cc1C[NH2+]Cc1cccc(Br)c1O ZINC000824292079 1320245134 /nfs/dbraw/zinc/24/51/34/1320245134.db2.gz KQSDSIIRWSEHRN-UHFFFAOYSA-N 1 1 336.233 3.055 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000824913582 1320295750 /nfs/dbraw/zinc/29/57/50/1320295750.db2.gz BFDMTQFWMXSMED-CYBMUJFWSA-N 1 1 328.275 3.482 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824913582 1320295755 /nfs/dbraw/zinc/29/57/55/1320295755.db2.gz BFDMTQFWMXSMED-CYBMUJFWSA-N 1 1 328.275 3.482 20 10 EGCDMO O=C1OCCN1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000826994612 1320418807 /nfs/dbraw/zinc/41/88/07/1320418807.db2.gz LSWGAMBHYNRFBI-SFHVURJKSA-N 1 1 338.407 3.086 20 10 EGCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000827377335 1320449621 /nfs/dbraw/zinc/44/96/21/1320449621.db2.gz VXYGJXLKSVYJPD-PZJWPPBQSA-N 1 1 344.499 3.304 20 10 EGCDMO C[C@@H]1CN(C[N@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)[C@H]1C ZINC000839956720 1321002690 /nfs/dbraw/zinc/00/26/90/1321002690.db2.gz PEMJFGGAANADRE-SJORKVTESA-N 1 1 329.488 3.181 20 10 EGCDMO C[C@@H]1CN(C[N@@H+](C)Cc2ccc(N3CCCCC3)cc2)C(=O)[C@H]1C ZINC000839956720 1321002695 /nfs/dbraw/zinc/00/26/95/1321002695.db2.gz PEMJFGGAANADRE-SJORKVTESA-N 1 1 329.488 3.181 20 10 EGCDMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000840180703 1321045059 /nfs/dbraw/zinc/04/50/59/1321045059.db2.gz XTDAPMCIAXESFJ-ZDUSSCGKSA-N 1 1 338.407 3.202 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccn(C)n1 ZINC000840714483 1321132878 /nfs/dbraw/zinc/13/28/78/1321132878.db2.gz JUKBQTLPMJKILL-RBSFLKMASA-N 1 1 346.450 3.024 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979480 1321193105 /nfs/dbraw/zinc/19/31/05/1321193105.db2.gz SDXFNQSAVYAJHS-VXGBXAGGSA-N 1 1 328.250 3.056 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979480 1321193107 /nfs/dbraw/zinc/19/31/07/1321193107.db2.gz SDXFNQSAVYAJHS-VXGBXAGGSA-N 1 1 328.250 3.056 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000841748545 1321306287 /nfs/dbraw/zinc/30/62/87/1321306287.db2.gz LGEUDRVKQGVSCU-WCFLWFBJSA-N 1 1 331.865 3.052 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1ccc(Cl)cc1O ZINC000841748541 1321306673 /nfs/dbraw/zinc/30/66/73/1321306673.db2.gz LGEUDRVKQGVSCU-DRZSPHRISA-N 1 1 331.865 3.052 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000841763389 1321309106 /nfs/dbraw/zinc/30/91/06/1321309106.db2.gz WZULBDMIIMDQCQ-CJNGLKHVSA-N 1 1 335.444 3.161 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000843056719 1321462802 /nfs/dbraw/zinc/46/28/02/1321462802.db2.gz XQYFPEDQNDWBKQ-AWEZNQCLSA-N 1 1 329.282 3.268 20 10 EGCDMO COc1ccc(N(C)CC[N@H+](C)CC(=O)Nc2ccccc2C)cc1 ZINC000844399169 1321600434 /nfs/dbraw/zinc/60/04/34/1321600434.db2.gz HZQANXBGGHDKSA-UHFFFAOYSA-N 1 1 341.455 3.010 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)CC(=O)Nc2ccccc2C)cc1 ZINC000844399169 1321600437 /nfs/dbraw/zinc/60/04/37/1321600437.db2.gz HZQANXBGGHDKSA-UHFFFAOYSA-N 1 1 341.455 3.010 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(-c3ccccc3C)nn2)c1 ZINC000845972714 1321760195 /nfs/dbraw/zinc/76/01/95/1321760195.db2.gz SUFGYKNLQLWXNH-CQSZACIVSA-N 1 1 338.411 3.141 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCCC[C@H]2SC)ccc1[N+](=O)[O-] ZINC000846010868 1321762303 /nfs/dbraw/zinc/76/23/03/1321762303.db2.gz RUXXSGABUCBAPW-DGCLKSJQSA-N 1 1 326.418 3.073 20 10 EGCDMO CN1CCN(c2ccc(C[NH+]3CCC4(CC4(F)F)CC3)cc2)CC1 ZINC000846054064 1321765056 /nfs/dbraw/zinc/76/50/56/1321765056.db2.gz BJNZNJCOSARGSO-UHFFFAOYSA-N 1 1 335.442 3.060 20 10 EGCDMO COc1ccc(N(C)CC[N@H+](C)Cc2ccnc(Cl)c2F)cc1 ZINC000846053174 1321765193 /nfs/dbraw/zinc/76/51/93/1321765193.db2.gz WNXYRCYLHPVSME-UHFFFAOYSA-N 1 1 337.826 3.451 20 10 EGCDMO COc1ccc(N(C)CC[N@@H+](C)Cc2ccnc(Cl)c2F)cc1 ZINC000846053174 1321765194 /nfs/dbraw/zinc/76/51/94/1321765194.db2.gz WNXYRCYLHPVSME-UHFFFAOYSA-N 1 1 337.826 3.451 20 10 EGCDMO O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000846474573 1321788053 /nfs/dbraw/zinc/78/80/53/1321788053.db2.gz VJOWGEXOHJQLCL-INIZCTEOSA-N 1 1 336.863 3.459 20 10 EGCDMO C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[N@@H+]1CCc2ccccc2C1 ZINC000846477906 1321788619 /nfs/dbraw/zinc/78/86/19/1321788619.db2.gz XHTRFZWEXOKDAF-ZDUSSCGKSA-N 1 1 344.842 3.109 20 10 EGCDMO C[C@@H](C(=O)NCc1cc(Cl)ccc1O)[N@H+]1CCc2ccccc2C1 ZINC000846477906 1321788622 /nfs/dbraw/zinc/78/86/22/1321788622.db2.gz XHTRFZWEXOKDAF-ZDUSSCGKSA-N 1 1 344.842 3.109 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCc2ccccc2NC1=O)c1cc(F)cc(F)c1O ZINC000848557826 1321975880 /nfs/dbraw/zinc/97/58/80/1321975880.db2.gz HSFCKTRGBLKSTP-QLJPJBMISA-N 1 1 332.350 3.275 20 10 EGCDMO CCc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1O ZINC000848890549 1322031981 /nfs/dbraw/zinc/03/19/81/1322031981.db2.gz RJYLVRYSQPCQJT-VQTJNVASSA-N 1 1 341.451 3.279 20 10 EGCDMO Oc1c(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)ccc2ccccc21 ZINC000848930848 1322048301 /nfs/dbraw/zinc/04/83/01/1322048301.db2.gz XRKLENOXQNPTHJ-IBGZPJMESA-N 1 1 340.467 3.232 20 10 EGCDMO Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000920302571 1322160310 /nfs/dbraw/zinc/16/03/10/1322160310.db2.gz PJERSNVMKKTKMW-KRWDZBQOSA-N 1 1 337.467 3.369 20 10 EGCDMO 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EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cc(C)cc(OC)c2)c1 ZINC000273520454 456236449 /nfs/dbraw/zinc/23/64/49/456236449.db2.gz UBGPOWAGIDFWMM-CYBMUJFWSA-N 1 1 329.396 3.347 20 10 EGCDMO CCCOc1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)cn1 ZINC000273570678 456239519 /nfs/dbraw/zinc/23/95/19/456239519.db2.gz KQRUTQAWEYEUBU-ZDUSSCGKSA-N 1 1 344.411 3.213 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](C)Cc2c(C)noc2C)c1 ZINC000273623066 456242051 /nfs/dbraw/zinc/24/20/51/456242051.db2.gz ZRJVYBVVXLMMFY-WDEREUQCSA-N 1 1 332.400 3.065 20 10 EGCDMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](C(C)C)C2)c(C)n1-c1ccccn1 ZINC000274420601 456257718 /nfs/dbraw/zinc/25/77/18/456257718.db2.gz DGCVIRIMKBXQJA-KRWDZBQOSA-N 1 1 340.471 3.092 20 10 EGCDMO NC(=O)c1c[nH+]ccc1N1CC=C(c2c[nH]c3cc(F)ccc32)CC1 ZINC000302212764 456319296 /nfs/dbraw/zinc/31/92/96/456319296.db2.gz HKBACLGACBGZJL-UHFFFAOYSA-N 1 1 336.370 3.095 20 10 EGCDMO O=C([C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1)N1CCCC1 ZINC000290499503 456345978 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ZINC000903447775 1317700773 /nfs/dbraw/zinc/70/07/73/1317700773.db2.gz CIQOQJWHLVSISS-YOEHRIQHSA-N 1 1 332.517 3.471 20 10 EGCDMO C[C@@H](NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccc(F)cn1 ZINC000903448183 1317702482 /nfs/dbraw/zinc/70/24/82/1317702482.db2.gz LSUWBMHTRYVEOY-AUUYWEPGSA-N 1 1 330.451 3.240 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000809738285 1317884601 /nfs/dbraw/zinc/88/46/01/1317884601.db2.gz WCYJLBMHXYHNLQ-HXUWFJFHSA-N 1 1 333.520 3.075 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000809738285 1317884604 /nfs/dbraw/zinc/88/46/04/1317884604.db2.gz WCYJLBMHXYHNLQ-HXUWFJFHSA-N 1 1 333.520 3.075 20 10 EGCDMO COc1cccc(C[N@H+](CCN(C)C)Cc2cccc(C)c2)c1O ZINC000809741125 1317886241 /nfs/dbraw/zinc/88/62/41/1317886241.db2.gz JRARYQCIPAAEEU-UHFFFAOYSA-N 1 1 328.456 3.273 20 10 EGCDMO COc1cccc(C[N@@H+](CCN(C)C)Cc2cccc(C)c2)c1O ZINC000809741125 1317886247 /nfs/dbraw/zinc/88/62/47/1317886247.db2.gz JRARYQCIPAAEEU-UHFFFAOYSA-N 1 1 328.456 3.273 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000809766256 1317895495 /nfs/dbraw/zinc/89/54/95/1317895495.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000809766256 1317895501 /nfs/dbraw/zinc/89/55/01/1317895501.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766256 1317895507 /nfs/dbraw/zinc/89/55/07/1317895507.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 1 1 341.293 3.235 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000809766256 1317895512 /nfs/dbraw/zinc/89/55/12/1317895512.db2.gz WJHHDMKEXIRWEN-IUODEOHRSA-N 1 1 341.293 3.235 20 10 EGCDMO Fc1cc(C[NH2+][C@H]2CCCc3scnc32)ccc1N1CCOCC1 ZINC000858354241 1328742971 /nfs/dbraw/zinc/74/29/71/1328742971.db2.gz MJRCELIEAAYJNO-HNNXBMFYSA-N 1 1 347.459 3.286 20 10 EGCDMO Cc1ccc(O)c(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000858419410 1328757498 /nfs/dbraw/zinc/75/74/98/1328757498.db2.gz KDKMUJGSEWPVCI-GOSISDBHSA-N 1 1 345.487 3.297 20 10 EGCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684028 1318619298 /nfs/dbraw/zinc/61/92/98/1318619298.db2.gz JFBXASWUQGIMTB-CYBMUJFWSA-N 1 1 331.243 3.190 20 10 EGCDMO CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000813684028 1318619287 /nfs/dbraw/zinc/61/92/87/1318619287.db2.gz JFBXASWUQGIMTB-CYBMUJFWSA-N 1 1 331.243 3.190 20 10 EGCDMO Cn1c(=O)c(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc2ccccc21 ZINC000813790332 1318632821 /nfs/dbraw/zinc/63/28/21/1318632821.db2.gz MNEPZRANOYCINB-UHFFFAOYSA-N 1 1 346.789 3.326 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC000815033136 1318872320 /nfs/dbraw/zinc/87/23/20/1318872320.db2.gz VUAVIHBRSFFUMI-QGZVFWFLSA-N 1 1 347.503 3.408 20 10 EGCDMO Cc1cc(C[N@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1N(C)C ZINC000815068473 1318881183 /nfs/dbraw/zinc/88/11/83/1318881183.db2.gz RCKNCMGSWNUUIA-UHFFFAOYSA-N 1 1 347.409 3.410 20 10 EGCDMO Cc1cc(C[N@@H+](C)CC(=O)Nc2cc(F)cc(F)c2)ccc1N(C)C ZINC000815068473 1318881188 /nfs/dbraw/zinc/88/11/88/1318881188.db2.gz RCKNCMGSWNUUIA-UHFFFAOYSA-N 1 1 347.409 3.410 20 10 EGCDMO C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815575983 1319018610 /nfs/dbraw/zinc/01/86/10/1319018610.db2.gz GMOWKTRYIVAWLM-LBPRGKRZSA-N 1 1 346.393 3.172 20 10 EGCDMO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816528724 1319175846 /nfs/dbraw/zinc/17/58/46/1319175846.db2.gz PUOZDWXXCHFUFK-BDJLRTHQSA-N 1 1 329.799 3.396 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@]2(CCSC2)C1 ZINC000816557662 1319182735 /nfs/dbraw/zinc/18/27/35/1319182735.db2.gz XMTIZOHTWXPAAV-IAQYHMDHSA-N 1 1 331.840 3.329 20 10 EGCDMO CC(C)[C@@H](C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccnn1C ZINC000816589107 1319188465 /nfs/dbraw/zinc/18/84/65/1319188465.db2.gz LQZJPNBTRURFHJ-GFCCVEGCSA-N 1 1 325.815 3.448 20 10 EGCDMO C[N@H+]1CCC[C@@]2(CCN(Cc3cc(Br)ccc3O)C2)C1 ZINC000816642373 1319200462 /nfs/dbraw/zinc/20/04/62/1319200462.db2.gz XQJPZKXIUJBSEM-MRXNPFEDSA-N 1 1 339.277 3.072 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000817413370 1319353760 /nfs/dbraw/zinc/35/37/60/1319353760.db2.gz XBWOKAPKQGLMFD-KGLIPLIRSA-N 1 1 335.444 3.343 20 10 EGCDMO COc1ccc(OC)c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c1 ZINC000817938800 1319467158 /nfs/dbraw/zinc/46/71/58/1319467158.db2.gz SMNVXGLFPJVFRW-LIRRHRJNSA-N 1 1 343.471 3.120 20 10 EGCDMO COc1ccc2c(c1F)CC[C@H]2NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940243 1319468381 /nfs/dbraw/zinc/46/83/81/1319468381.db2.gz DZHGGQVNZOMXFW-QZTJIDSGSA-N 1 1 343.446 3.177 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)c(C)c1 ZINC000817940554 1319468875 /nfs/dbraw/zinc/46/88/75/1319468875.db2.gz JUMWDMIEZZTDPU-QRWLVFNGSA-N 1 1 327.472 3.420 20 10 EGCDMO C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817959306 1319477934 /nfs/dbraw/zinc/47/79/34/1319477934.db2.gz FUQKVFCQQMHAFS-JMCQJSRRSA-N 1 1 333.657 3.196 20 10 EGCDMO C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(Br)cc1[O-] ZINC000817965058 1319479995 /nfs/dbraw/zinc/47/99/95/1319479995.db2.gz ONNZYLXRFOPVFL-NSHDSACASA-N 1 1 327.266 3.195 20 10 EGCDMO CCc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000915830404 1319544312 /nfs/dbraw/zinc/54/43/12/1319544312.db2.gz NJXCMQOXBFLLTA-UHFFFAOYSA-N 1 1 342.439 3.342 20 10 EGCDMO CCc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C)cc(OC)c1O ZINC000915830404 1319544323 /nfs/dbraw/zinc/54/43/23/1319544323.db2.gz NJXCMQOXBFLLTA-UHFFFAOYSA-N 1 1 342.439 3.342 20 10 EGCDMO CN(c1ccc(CNC[C@@H](O)C[N@@H+](C)C2CC2)cc1)C1CCCCC1 ZINC000818979980 1319602598 /nfs/dbraw/zinc/60/25/98/1319602598.db2.gz FGCJEZJKUCVOOU-OAQYLSRUSA-N 1 1 345.531 3.000 20 10 EGCDMO CN(C[C@H](O)C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1)C1CC1 ZINC000818979980 1319602608 /nfs/dbraw/zinc/60/26/08/1319602608.db2.gz FGCJEZJKUCVOOU-OAQYLSRUSA-N 1 1 345.531 3.000 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C(N)=O)c2ccccc2)cc1 ZINC000821958373 1320044572 /nfs/dbraw/zinc/04/45/72/1320044572.db2.gz AGPBRGGEUHYLSI-IBGZPJMESA-N 1 1 325.456 3.191 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C(N)=O)c2ccccc2)cc1 ZINC000821958373 1320044575 /nfs/dbraw/zinc/04/45/75/1320044575.db2.gz AGPBRGGEUHYLSI-IBGZPJMESA-N 1 1 325.456 3.191 20 10 EGCDMO C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)CC(C)(C)CO ZINC000824634839 1320272616 /nfs/dbraw/zinc/27/26/16/1320272616.db2.gz CDBYUZDONSDTQX-UHFFFAOYSA-N 1 1 329.440 3.422 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC(C)(C)CO ZINC000824630960 1320272764 /nfs/dbraw/zinc/27/27/64/1320272764.db2.gz RMXKJFANWHLQND-UHFFFAOYSA-N 1 1 335.448 3.035 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CCOC3)C2)c1O ZINC000825133294 1320313989 /nfs/dbraw/zinc/31/39/89/1320313989.db2.gz CFJZKVDFFRUPHE-INIZCTEOSA-N 1 1 340.261 3.466 20 10 EGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2O)C1 ZINC000825246967 1320320971 /nfs/dbraw/zinc/32/09/71/1320320971.db2.gz MPMFLGKJBQFMOV-ZDUSSCGKSA-N 1 1 341.293 3.365 20 10 EGCDMO CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825246967 1320320976 /nfs/dbraw/zinc/32/09/76/1320320976.db2.gz MPMFLGKJBQFMOV-ZDUSSCGKSA-N 1 1 341.293 3.365 20 10 EGCDMO CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2[O-])C1 ZINC000825246967 1320320981 /nfs/dbraw/zinc/32/09/81/1320320981.db2.gz MPMFLGKJBQFMOV-ZDUSSCGKSA-N 1 1 341.293 3.365 20 10 EGCDMO COc1cc(C[N@@H+](C)C[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000825928160 1320372650 /nfs/dbraw/zinc/37/26/50/1320372650.db2.gz NJPOOFYYNPJNCC-CYBMUJFWSA-N 1 1 335.366 3.053 20 10 EGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2O)CC1(C)C ZINC000826062818 1320381356 /nfs/dbraw/zinc/38/13/56/1320381356.db2.gz XPSWFOFYXKMRJH-AWEZNQCLSA-N 1 1 328.250 3.402 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+]Cc1cccnc1N1CCCC1 ZINC000826899203 1320412197 /nfs/dbraw/zinc/41/21/97/1320412197.db2.gz GACXTEMZIWQPLF-UHFFFAOYSA-N 1 1 335.810 3.470 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCSCC2)cc1)c1cc2n(n1)CCC2 ZINC000840716378 1321133843 /nfs/dbraw/zinc/13/38/43/1321133843.db2.gz XQEXKQGMZQCEKO-HNNXBMFYSA-N 1 1 342.512 3.233 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840892503 1321171996 /nfs/dbraw/zinc/17/19/96/1321171996.db2.gz VETCEKGPKDVSSB-CYBMUJFWSA-N 1 1 328.412 3.202 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCNC(=O)C[C@H]1c1ccccc1 ZINC000840910535 1321175334 /nfs/dbraw/zinc/17/53/34/1321175334.db2.gz IQLBLZRLOPETBS-FQEVSTJZSA-N 1 1 337.467 3.124 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCc3c(cnn3C)C2)cc1F ZINC000840955451 1321185683 /nfs/dbraw/zinc/18/56/83/1321185683.db2.gz WKZOXBFXFZPIAI-UHFFFAOYSA-N 1 1 330.451 3.354 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCc3c(cnn3C)C2)cc1F ZINC000840955451 1321185686 /nfs/dbraw/zinc/18/56/86/1321185686.db2.gz WKZOXBFXFZPIAI-UHFFFAOYSA-N 1 1 330.451 3.354 20 10 EGCDMO COc1c(O)c(C[NH2+]Cc2cnccc2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000840957825 1321186727 /nfs/dbraw/zinc/18/67/27/1321186727.db2.gz GLMNLBZWDXPGQJ-UHFFFAOYSA-N 1 1 345.399 3.291 20 10 EGCDMO CC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1O)[C@H](O)C(C)C ZINC000840967368 1321188911 /nfs/dbraw/zinc/18/89/11/1321188911.db2.gz GBUMHXZLFOBQGL-ZIAGYGMSSA-N 1 1 330.266 3.348 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1O ZINC000840978984 1321193051 /nfs/dbraw/zinc/19/30/51/1321193051.db2.gz QTCCCVLOASRXIO-NWDGAFQWSA-N 1 1 328.250 3.056 20 10 EGCDMO CCOc1ccc(C[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cc1F ZINC000841042763 1321207973 /nfs/dbraw/zinc/20/79/73/1321207973.db2.gz NMHIZWMKFGKSGZ-SFHVURJKSA-N 1 1 331.435 3.080 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)c1ccc(Cl)cc1O ZINC000841753391 1321306171 /nfs/dbraw/zinc/30/61/71/1321306171.db2.gz ZJIJUFKVIJIBMS-JSGCOSHPSA-N 1 1 325.836 3.424 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1[O-] ZINC000843385869 1321509564 /nfs/dbraw/zinc/50/95/64/1321509564.db2.gz ANGBYDHIWFSNAJ-AWEZNQCLSA-N 1 1 336.863 3.070 20 10 EGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843428499 1321517752 /nfs/dbraw/zinc/51/77/52/1321517752.db2.gz JTUYUKVXHJXBOP-AWEZNQCLSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843428499 1321517756 /nfs/dbraw/zinc/51/77/56/1321517756.db2.gz JTUYUKVXHJXBOP-AWEZNQCLSA-N 1 1 326.234 3.156 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1O ZINC000846115826 1321769157 /nfs/dbraw/zinc/76/91/57/1321769157.db2.gz BQQBNJVEMMSLPK-ZDUSSCGKSA-N 1 1 348.187 3.394 20 10 EGCDMO COc1cc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)sn1 ZINC000851840907 1323100567 /nfs/dbraw/zinc/10/05/67/1323100567.db2.gz LOXFHFDPTHKHPP-AWEZNQCLSA-N 1 1 334.441 3.039 20 10 EGCDMO COc1cc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)sn1 ZINC000851840907 1323100575 /nfs/dbraw/zinc/10/05/75/1323100575.db2.gz LOXFHFDPTHKHPP-AWEZNQCLSA-N 1 1 334.441 3.039 20 10 EGCDMO CCC[N@H+]1CC[C@@H](NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1 ZINC000852631129 1323219176 /nfs/dbraw/zinc/21/91/76/1323219176.db2.gz IGFNFPOILKXKER-GOSISDBHSA-N 1 1 346.519 3.159 20 10 EGCDMO 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[O-]c1c(C[N@H+]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]32)ccc(F)c1F ZINC001233079390 1376564986 /nfs/dbraw/zinc/56/49/86/1376564986.db2.gz ATMWAHCTSCQYKX-CRAIPNDOSA-N 1 1 344.405 3.377 20 10 EGCDMO CC[N@@H+](C)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233111507 1376572990 /nfs/dbraw/zinc/57/29/90/1376572990.db2.gz RCVRLILWKALHPH-UHFFFAOYSA-N 1 1 341.293 3.379 20 10 EGCDMO C[C@@H]1C[C@@H](O)C[N@H+]1Cc1c(O)ccc2cc(Br)ccc21 ZINC001233193908 1376584142 /nfs/dbraw/zinc/58/41/42/1376584142.db2.gz HGVZKMFAACCKAE-ZWNOBZJWSA-N 1 1 336.229 3.263 20 10 EGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CCC[C@]3(CCCC(=O)N3)C2)c1 ZINC001233285974 1376604259 /nfs/dbraw/zinc/60/42/59/1376604259.db2.gz ZJUISXAYBFDZIU-HXUWFJFHSA-N 1 1 330.472 3.324 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3cccc4nccn43)CC2)cc1 ZINC001233364132 1376629167 /nfs/dbraw/zinc/62/91/67/1376629167.db2.gz SHTCJTGOLCXVHY-UHFFFAOYSA-N 1 1 336.439 3.055 20 10 EGCDMO Oc1ccc2cc(Br)ccc2c1CN1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235254590 1376864213 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COc1ccccc1[C@@H](O)C[N@@H+](Cc1cc(F)ccc1O)C(C)C ZINC001140058920 1377998173 /nfs/dbraw/zinc/99/81/73/1377998173.db2.gz OSPABMIVSZBVRB-SFHVURJKSA-N 1 1 333.403 3.484 20 10 EGCDMO Oc1ccc(F)cc1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001140060440 1377998489 /nfs/dbraw/zinc/99/84/89/1377998489.db2.gz WBNOYUNYGCJVGW-APWZRJJASA-N 1 1 326.415 3.238 20 10 EGCDMO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001140060440 1377998490 /nfs/dbraw/zinc/99/84/90/1377998490.db2.gz WBNOYUNYGCJVGW-APWZRJJASA-N 1 1 326.415 3.238 20 10 EGCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001140060440 1377998491 /nfs/dbraw/zinc/99/84/91/1377998491.db2.gz WBNOYUNYGCJVGW-APWZRJJASA-N 1 1 326.415 3.238 20 10 EGCDMO C[N@H+](Cc1cc(F)ccc1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001140060102 1377998558 /nfs/dbraw/zinc/99/85/58/1377998558.db2.gz KOBWKTIERPOIFB-HNNXBMFYSA-N 1 1 338.423 3.363 20 10 EGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 ZINC001140062723 1377999124 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COc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)nc1 ZINC001140624452 1378100450 /nfs/dbraw/zinc/10/04/50/1378100450.db2.gz XHNRNWMXMWEEMI-KRWDZBQOSA-N 1 1 328.412 3.148 20 10 EGCDMO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC001140742562 1378128442 /nfs/dbraw/zinc/12/84/42/1378128442.db2.gz RZNLCEKZNBSMIR-KRWDZBQOSA-N 1 1 341.407 3.114 20 10 EGCDMO Cc1c(O)ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC001140742562 1378128443 /nfs/dbraw/zinc/12/84/43/1378128443.db2.gz RZNLCEKZNBSMIR-KRWDZBQOSA-N 1 1 341.407 3.114 20 10 EGCDMO Cc1c(O)ccc(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1O ZINC001140745350 1378128467 /nfs/dbraw/zinc/12/84/67/1378128467.db2.gz GQQAETHMJKLOJO-MJGOQNOKSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)c1O ZINC001140745350 1378128469 /nfs/dbraw/zinc/12/84/69/1378128469.db2.gz GQQAETHMJKLOJO-MJGOQNOKSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1c(O)ccc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C2)c1O ZINC001140745350 1378128470 /nfs/dbraw/zinc/12/84/70/1378128470.db2.gz GQQAETHMJKLOJO-MJGOQNOKSA-N 1 1 338.451 3.113 20 10 EGCDMO Cc1c(O)ccc(C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)c1O ZINC001140745967 1378128599 /nfs/dbraw/zinc/12/85/99/1378128599.db2.gz QVEWBNJOCVDPGO-UHFFFAOYSA-N 1 1 335.407 3.150 20 10 EGCDMO Cc1ccc(C[N@H+]2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948004 1378188388 /nfs/dbraw/zinc/18/83/88/1378188388.db2.gz PALUGSMORFKULD-CVEARBPZSA-N 1 1 332.444 3.284 20 10 EGCDMO Cc1ccc(C[N@H+]2CCc3ncnc(-c4ccoc4)c3CC2)c(O)c1 ZINC001140949373 1378188821 /nfs/dbraw/zinc/18/88/21/1378188821.db2.gz ACHQYNGPGMUUGX-UHFFFAOYSA-N 1 1 335.407 3.351 20 10 EGCDMO Cc1ccc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c(O)c1 ZINC001140952050 1378189732 /nfs/dbraw/zinc/18/97/32/1378189732.db2.gz COPYDABYALYQBC-IYBDPMFKSA-N 1 1 332.444 3.284 20 10 EGCDMO Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140954514 1378191391 /nfs/dbraw/zinc/19/13/91/1378191391.db2.gz VJJAWOKPCGSHOW-HOTGVXAUSA-N 1 1 332.444 3.284 20 10 EGCDMO CCOC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076635 1378232349 /nfs/dbraw/zinc/23/23/49/1378232349.db2.gz YCZLTPDRLJMRGH-IBGZPJMESA-N 1 1 342.483 3.303 20 10 EGCDMO CCOC(=O)[C@@H]1CCCC[N@H+]1Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076635 1378232356 /nfs/dbraw/zinc/23/23/56/1378232356.db2.gz YCZLTPDRLJMRGH-IBGZPJMESA-N 1 1 342.483 3.303 20 10 EGCDMO CN(CCC[NH+]1CCCC1)Cc1cc2c3c(c1)CCCN3CCC2 ZINC001141076456 1378232639 /nfs/dbraw/zinc/23/26/39/1378232639.db2.gz SHMVDSJFXXGELS-UHFFFAOYSA-N 1 1 327.516 3.303 20 10 EGCDMO Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc3c4c(c2)CCCN4CCC3)n1 ZINC001141078434 1378233809 /nfs/dbraw/zinc/23/38/09/1378233809.db2.gz VSMGAAWBRHBNSO-SFHVURJKSA-N 1 1 338.455 3.414 20 10 EGCDMO Cc1noc([C@@H]2CCC[N@H+]2Cc2cc3c4c(c2)CCCN4CCC3)n1 ZINC001141078434 1378233814 /nfs/dbraw/zinc/23/38/14/1378233814.db2.gz VSMGAAWBRHBNSO-SFHVURJKSA-N 1 1 338.455 3.414 20 10 EGCDMO c1ccc([C@H]2C[N@H+](Cc3cc4c5c(c3)CCCN5CCC4)CCO2)nc1 ZINC001141077999 1378234168 /nfs/dbraw/zinc/23/41/68/1378234168.db2.gz IGBQAYIIFZEDKK-OAQYLSRUSA-N 1 1 349.478 3.354 20 10 EGCDMO c1ccc([C@H]2C[N@@H+](Cc3cc4c5c(c3)CCCN5CCC4)CCO2)nc1 ZINC001141077999 1378234169 /nfs/dbraw/zinc/23/41/69/1378234169.db2.gz IGBQAYIIFZEDKK-OAQYLSRUSA-N 1 1 349.478 3.354 20 10 EGCDMO CN(Cc1cc(O)ccc1O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001141161382 1378255105 /nfs/dbraw/zinc/25/51/05/1378255105.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 1 1 326.440 3.052 20 10 EGCDMO CN(Cc1cc(O)ccc1O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001141161382 1378255110 /nfs/dbraw/zinc/25/51/10/1378255110.db2.gz QXXICEXCDSYXON-QGZVFWFLSA-N 1 1 326.440 3.052 20 10 EGCDMO C[N@@H+](Cc1cccc(F)c1)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162048 1378255243 /nfs/dbraw/zinc/25/52/43/1378255243.db2.gz KHFHWCPUWUIKNL-UHFFFAOYSA-N 1 1 344.430 3.333 20 10 EGCDMO CN(Cc1cccc(F)c1)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141162048 1378255244 /nfs/dbraw/zinc/25/52/44/1378255244.db2.gz KHFHWCPUWUIKNL-UHFFFAOYSA-N 1 1 344.430 3.333 20 10 EGCDMO COC(=O)c1cccc([C@H]2CCC[N@H+]2Cc2cc(O)ccc2O)c1 ZINC001141163289 1378255602 /nfs/dbraw/zinc/25/56/02/1378255602.db2.gz YVDJULGOCWJWJW-QGZVFWFLSA-N 1 1 327.380 3.222 20 10 EGCDMO C[N@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001142527181 1378453645 /nfs/dbraw/zinc/45/36/45/1378453645.db2.gz NNAMWMLXBOWQHC-UHFFFAOYSA-N 1 1 344.402 3.407 20 10 EGCDMO C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001142527181 1378453648 /nfs/dbraw/zinc/45/36/48/1378453648.db2.gz NNAMWMLXBOWQHC-UHFFFAOYSA-N 1 1 344.402 3.407 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3cc4cccnc4[nH]3)CC2)cc1 ZINC001143228430 1378566095 /nfs/dbraw/zinc/56/60/95/1378566095.db2.gz BZFOJIQYJPGKEL-UHFFFAOYSA-N 1 1 336.439 3.284 20 10 EGCDMO Oc1cc(O)c(C[N@@H+](Cc2ccccc2)Cc2ccncc2)c(O)c1 ZINC001144499136 1378738360 /nfs/dbraw/zinc/73/83/60/1378738360.db2.gz BICADUNLHQMOSA-UHFFFAOYSA-N 1 1 336.391 3.401 20 10 EGCDMO CC[N@@H+](Cc1c(O)cc(O)cc1O)[C@@H](C)Cc1ccc(OC)cc1 ZINC001144499592 1378738396 /nfs/dbraw/zinc/73/83/96/1378738396.db2.gz JCHXCPYQPGIWDW-ZDUSSCGKSA-N 1 1 331.412 3.265 20 10 EGCDMO C[N@@H+](Cc1ccccc1Br)Cc1c(O)cc(O)cc1O ZINC001144499408 1378738623 /nfs/dbraw/zinc/73/86/23/1378738623.db2.gz GDECDJJAIRJTEU-UHFFFAOYSA-N 1 1 338.201 3.198 20 10 EGCDMO CN(C)c1ccc([C@H]([NH3+])CNCc2ccc(N3CCCC3)cc2)cc1 ZINC001328680572 1388805385 /nfs/dbraw/zinc/80/53/85/1388805385.db2.gz GTLSHMWKXXALGG-OAQYLSRUSA-N 1 1 338.499 3.142 20 10 EGCDMO Nc1cc(Cl)cc(NCc2cc(Br)ccc2O)[nH+]1 ZINC001171174172 1384460777 /nfs/dbraw/zinc/46/07/77/1384460777.db2.gz LFMWBNISQYYERY-UHFFFAOYSA-N 1 1 328.597 3.397 20 10 EGCDMO CSc1cccc(NCc2ccc(N3CC[NH+](C)CC3)c(F)c2)n1 ZINC001322751690 1387234037 /nfs/dbraw/zinc/23/40/37/1387234037.db2.gz ZJNRGQRMQQROMS-UHFFFAOYSA-N 1 1 346.475 3.307 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC001333150195 1390256888 /nfs/dbraw/zinc/25/68/88/1390256888.db2.gz VHVINYGNVBNNSD-IINYFYTJSA-N 1 1 339.304 3.244 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001348112898 1391174697 /nfs/dbraw/zinc/17/46/97/1391174697.db2.gz AFDWXZDXHAMHMQ-NXHRZFHOSA-N 1 1 330.472 3.251 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC001350315144 1391445995 /nfs/dbraw/zinc/44/59/95/1391445995.db2.gz BCUPOAPTVHGBCL-UHFFFAOYSA-N 1 1 327.762 3.357 20 10 EGCDMO O=C(/C=C\c1cncs1)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21 ZINC000493542542 311392449 /nfs/dbraw/zinc/39/24/49/311392449.db2.gz GALBAEJHFMLXRR-LZNQSLFOSA-N 1 1 325.437 3.168 20 10 EGCDMO C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000278851915 455850656 /nfs/dbraw/zinc/85/06/56/455850656.db2.gz VPXQCAPYNOVXFA-BJOHPYRUSA-N 1 1 334.243 3.137 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000066702291 453864322 /nfs/dbraw/zinc/86/43/22/453864322.db2.gz XQNYBFCCNHYMML-OAHLLOKOSA-N 1 1 344.459 3.155 20 10 EGCDMO C[C@H](NCC1([NH+]2CCCCC2)CCOCC1)c1ccc(N(C)C)cc1 ZINC000089594706 454165050 /nfs/dbraw/zinc/16/50/50/454165050.db2.gz SDTINZQFPDWTLZ-SFHVURJKSA-N 1 1 345.531 3.438 20 10 EGCDMO COc1ccccc1-c1nnc(C[N@H+](C)Cc2ccccc2O)o1 ZINC000119531859 454202633 /nfs/dbraw/zinc/20/26/33/454202633.db2.gz MWGILVGIMYZOOF-UHFFFAOYSA-N 1 1 325.368 3.083 20 10 EGCDMO COc1ccccc1-c1nnc(C[N@@H+](C)Cc2ccccc2O)o1 ZINC000119531859 454202637 /nfs/dbraw/zinc/20/26/37/454202637.db2.gz MWGILVGIMYZOOF-UHFFFAOYSA-N 1 1 325.368 3.083 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C(N)=O)c1ccccc1 ZINC000120499259 454310563 /nfs/dbraw/zinc/31/05/63/454310563.db2.gz AYFOIAUASZVWQJ-HXUWFJFHSA-N 1 1 337.467 3.335 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C(N)=O)c1ccccc1 ZINC000120499259 454310569 /nfs/dbraw/zinc/31/05/69/454310569.db2.gz AYFOIAUASZVWQJ-HXUWFJFHSA-N 1 1 337.467 3.335 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121165594 454400707 /nfs/dbraw/zinc/40/07/07/454400707.db2.gz BMYUXOVVZUWXCM-LLVKDONJSA-N 1 1 336.233 3.257 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c(O)c1 ZINC000091833050 454478362 /nfs/dbraw/zinc/47/83/62/454478362.db2.gz XTYUEGQBXCIWNQ-OAHLLOKOSA-N 1 1 331.416 3.252 20 10 EGCDMO CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000092066519 454512867 /nfs/dbraw/zinc/51/28/67/454512867.db2.gz CECAYSRYVVMZEW-CRAIPNDOSA-N 1 1 330.472 3.240 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c1O ZINC000092066519 454512872 /nfs/dbraw/zinc/51/28/72/454512872.db2.gz CECAYSRYVVMZEW-CRAIPNDOSA-N 1 1 330.472 3.240 20 10 EGCDMO Oc1cccc(C[N@H+](Cc2cc3c(cc2O)OCO3)CC2CC2)c1 ZINC000092670866 454606015 /nfs/dbraw/zinc/60/60/15/454606015.db2.gz YEZCCAOLMIEZBO-UHFFFAOYSA-N 1 1 327.380 3.239 20 10 EGCDMO CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093742096 454731821 /nfs/dbraw/zinc/73/18/21/454731821.db2.gz JVCZAUJZVNFTGI-GFCCVEGCSA-N 1 1 341.839 3.118 20 10 EGCDMO CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093742096 454731824 /nfs/dbraw/zinc/73/18/24/454731824.db2.gz JVCZAUJZVNFTGI-GFCCVEGCSA-N 1 1 341.839 3.118 20 10 EGCDMO CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093742096 454731825 /nfs/dbraw/zinc/73/18/25/454731825.db2.gz JVCZAUJZVNFTGI-GFCCVEGCSA-N 1 1 341.839 3.118 20 10 EGCDMO CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093742096 454731829 /nfs/dbraw/zinc/73/18/29/454731829.db2.gz JVCZAUJZVNFTGI-GFCCVEGCSA-N 1 1 341.839 3.118 20 10 EGCDMO CC[N@H+](Cc1cc(Br)ccc1O)CC1=CCCOC1 ZINC000093866973 454742280 /nfs/dbraw/zinc/74/22/80/454742280.db2.gz YOGOCRXLIOROND-UHFFFAOYSA-N 1 1 326.234 3.323 20 10 EGCDMO CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)cc1 ZINC000109769968 454835381 /nfs/dbraw/zinc/83/53/81/454835381.db2.gz CYLLBEOBHVQFQU-ZDUSSCGKSA-N 1 1 326.396 3.054 20 10 EGCDMO CC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2O)c1 ZINC000109770204 454836189 /nfs/dbraw/zinc/83/61/89/454836189.db2.gz KMHUKDBNJTXQQF-ZDUSSCGKSA-N 1 1 326.396 3.054 20 10 EGCDMO Cc1ncc(/C=C/C(=O)N2C[C@H]3CCC[N@H+]3Cc3ccccc32)s1 ZINC000112237119 454883047 /nfs/dbraw/zinc/88/30/47/454883047.db2.gz KXMVLSJDCDQUPO-ROJDOSBLSA-N 1 1 339.464 3.476 20 10 EGCDMO CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(F)cc2[O-])[C@H](C)C1 ZINC000185461163 455560795 /nfs/dbraw/zinc/56/07/95/455560795.db2.gz CJRIKSOQYPFCCS-VKJFTORMSA-N 1 1 338.467 3.319 20 10 EGCDMO C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000185547108 455576306 /nfs/dbraw/zinc/57/63/06/455576306.db2.gz PKAWOIHXMGSKQS-ZDUSSCGKSA-N 1 1 330.403 3.126 20 10 EGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)[nH]1 ZINC000271420938 455630371 /nfs/dbraw/zinc/63/03/71/455630371.db2.gz ZJUSPEKWAQGCQX-SFHVURJKSA-N 1 1 339.487 3.483 20 10 EGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000271420938 455630374 /nfs/dbraw/zinc/63/03/74/455630374.db2.gz ZJUSPEKWAQGCQX-SFHVURJKSA-N 1 1 339.487 3.483 20 10 EGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)n1 ZINC000271420938 455630379 /nfs/dbraw/zinc/63/03/79/455630379.db2.gz ZJUSPEKWAQGCQX-SFHVURJKSA-N 1 1 339.487 3.483 20 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/nfs/dbraw/zinc/83/44/13/455834413.db2.gz OCPSFOWJFWLUGX-LJQANCHMSA-N 1 1 334.504 3.141 20 10 EGCDMO COc1c(O)c(C[NH2+]CCSc2ccccc2)ccc1[N+](=O)[O-] ZINC000278844834 455850688 /nfs/dbraw/zinc/85/06/88/455850688.db2.gz KNMHHWJZGAMAQF-UHFFFAOYSA-N 1 1 334.397 3.191 20 10 EGCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577399 455868559 /nfs/dbraw/zinc/86/85/59/455868559.db2.gz BCBBYDRFULEIOA-PXNSSMCTSA-N 1 1 330.472 3.057 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000272328286 455915771 /nfs/dbraw/zinc/91/57/71/455915771.db2.gz VONLOZAXGOFUSP-DOMZBBRYSA-N 1 1 338.423 3.266 20 10 EGCDMO C[C@H]([NH2+]Cc1ccncc1OC[C@@H]1CCOC1)c1ccc(F)cc1O ZINC000287504421 456071180 /nfs/dbraw/zinc/07/11/80/456071180.db2.gz YSFFVWQMSVRYNE-UONOGXRCSA-N 1 1 346.402 3.192 20 10 EGCDMO COC1CCN(c2ccc(CN3CCC[N@H+](C(C)C)CC3)cc2)CC1 ZINC000297240078 456158854 /nfs/dbraw/zinc/15/88/54/456158854.db2.gz USLJSIDQXOSSMM-UHFFFAOYSA-N 1 1 345.531 3.218 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+]3CCCN(C(C)C)CC3)cc2)CC1 ZINC000297240078 456158860 /nfs/dbraw/zinc/15/88/60/456158860.db2.gz USLJSIDQXOSSMM-UHFFFAOYSA-N 1 1 345.531 3.218 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCCN(C(C)C)CC3)cc2)CC1 ZINC000297240078 456158867 /nfs/dbraw/zinc/15/88/67/456158867.db2.gz USLJSIDQXOSSMM-UHFFFAOYSA-N 1 1 345.531 3.218 20 10 EGCDMO CC[C@@H](COCC(F)(F)F)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000297257550 456164474 /nfs/dbraw/zinc/16/44/74/456164474.db2.gz JSRWIXGDEGWQFF-JQWIXIFHSA-N 1 1 349.349 3.187 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000297290570 456175266 /nfs/dbraw/zinc/17/52/66/456175266.db2.gz LTPXVRYHYYVLAO-RYUDHWBXSA-N 1 1 344.367 3.499 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1O ZINC000273386054 456227492 /nfs/dbraw/zinc/22/74/92/456227492.db2.gz JPXSOYYOZIXHBE-CQSZACIVSA-N 1 1 330.403 3.219 20 10 EGCDMO COCc1cc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)ccc1F ZINC000273586051 456239465 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Fc1cccc2c1CC[N@H+](Cc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000123800190 1293455826 /nfs/dbraw/zinc/45/58/26/1293455826.db2.gz SZBJPBFLXMPUQT-UHFFFAOYSA-N 1 1 344.405 3.360 20 10 EGCDMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)c(C)n1-c1ccccc1C ZINC000127616589 1293568490 /nfs/dbraw/zinc/56/84/90/1293568490.db2.gz CFFWWEBFIXDSOQ-UHFFFAOYSA-N 1 1 325.456 3.180 20 10 EGCDMO CCC[N@@H+](Cc1cc(=O)n2cccc(C)c2n1)Cc1ccccc1O ZINC000130720227 1293666909 /nfs/dbraw/zinc/66/69/09/1293666909.db2.gz WHIVZKVSCTUMMB-UHFFFAOYSA-N 1 1 337.423 3.121 20 10 EGCDMO COc1ccc(N2CC[NH+](CCCN[C@H](C)c3ccco3)CC2)cc1 ZINC000162832000 1294322834 /nfs/dbraw/zinc/32/28/34/1294322834.db2.gz FPIVUEZYZRIASS-QGZVFWFLSA-N 1 1 343.471 3.151 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@H](CCC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164273296 1294346236 /nfs/dbraw/zinc/34/62/36/1294346236.db2.gz UZPPGYHCWPTOIN-CQSZACIVSA-N 1 1 348.487 3.176 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H](CCC(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000164273432 1294346402 /nfs/dbraw/zinc/34/64/02/1294346402.db2.gz UZPPGYHCWPTOIN-AWEZNQCLSA-N 1 1 348.487 3.176 20 10 EGCDMO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000178849790 1294758273 /nfs/dbraw/zinc/75/82/73/1294758273.db2.gz GFOJUPDTSKLNDR-SFHVURJKSA-N 1 1 331.387 3.422 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)c1O ZINC000178849790 1294758282 /nfs/dbraw/zinc/75/82/82/1294758282.db2.gz GFOJUPDTSKLNDR-SFHVURJKSA-N 1 1 331.387 3.422 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c1O ZINC000179634233 1294809669 /nfs/dbraw/zinc/80/96/69/1294809669.db2.gz ZSLDTRLROKNSCJ-OAHLLOKOSA-N 1 1 329.396 3.063 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)c1O ZINC000179634250 1294810109 /nfs/dbraw/zinc/81/01/09/1294810109.db2.gz ZSLDTRLROKNSCJ-HNNXBMFYSA-N 1 1 329.396 3.063 20 10 EGCDMO CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000180406650 1294884431 /nfs/dbraw/zinc/88/44/31/1294884431.db2.gz RQBQPVNRPNJYDV-INIZCTEOSA-N 1 1 349.494 3.186 20 10 EGCDMO CC(C)N1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000180406650 1294884440 /nfs/dbraw/zinc/88/44/40/1294884440.db2.gz RQBQPVNRPNJYDV-INIZCTEOSA-N 1 1 349.494 3.186 20 10 EGCDMO C[C@@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1ccc(F)cc1O ZINC000186015755 1295298358 /nfs/dbraw/zinc/29/83/58/1295298358.db2.gz RZNURHVRRZIPCU-GFCCVEGCSA-N 1 1 334.366 3.141 20 10 EGCDMO Cc1cc(C#N)ccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000186162844 1295308960 /nfs/dbraw/zinc/30/89/60/1295308960.db2.gz LRJVFYRITAHBEF-UHFFFAOYSA-N 1 1 335.451 3.335 20 10 EGCDMO CC[N@H+](Cc1ccc(N2CCCCC2)cc1)C[C@@H](O)C(F)(F)F ZINC000189874533 1295549422 /nfs/dbraw/zinc/54/94/22/1295549422.db2.gz KGDSMGGKOFJOJN-MRXNPFEDSA-N 1 1 330.394 3.422 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245698763 1296320262 /nfs/dbraw/zinc/32/02/62/1296320262.db2.gz CTGWCLKIBUXBTB-FZMZJTMJSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245698763 1296320277 /nfs/dbraw/zinc/32/02/77/1296320277.db2.gz CTGWCLKIBUXBTB-FZMZJTMJSA-N 1 1 326.234 3.156 20 10 EGCDMO COc1cc(C)cc(C[N@@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000246991268 1296378867 /nfs/dbraw/zinc/37/88/67/1296378867.db2.gz TZIAUTBKDRNUAE-YJBOKZPZSA-N 1 1 330.472 3.158 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)c1O ZINC000246991268 1296378881 /nfs/dbraw/zinc/37/88/81/1296378881.db2.gz TZIAUTBKDRNUAE-YJBOKZPZSA-N 1 1 330.472 3.158 20 10 EGCDMO CC(=O)c1cc(Cl)cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1O ZINC000248039115 1296404412 /nfs/dbraw/zinc/40/44/12/1296404412.db2.gz SFNAUALDAJAHET-SUMWQHHRSA-N 1 1 336.863 3.164 20 10 EGCDMO Cc1ccccc1C[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248155645 1296406859 /nfs/dbraw/zinc/40/68/59/1296406859.db2.gz ZBSHBFMHEHKHRP-UHFFFAOYSA-N 1 1 339.483 3.151 20 10 EGCDMO Cc1ccccc1C[N@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000248155645 1296406868 /nfs/dbraw/zinc/40/68/68/1296406868.db2.gz ZBSHBFMHEHKHRP-UHFFFAOYSA-N 1 1 339.483 3.151 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1O ZINC000250098025 1296455222 /nfs/dbraw/zinc/45/52/22/1296455222.db2.gz QYQATGIICBHXJU-HNAYVOBHSA-N 1 1 327.424 3.174 20 10 EGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@H](O)c1ccccc1 ZINC000872132755 1296757147 /nfs/dbraw/zinc/75/71/47/1296757147.db2.gz KEDNWBJTINTGGX-SOVGHPHASA-N 1 1 343.423 3.342 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1C ZINC000305743606 1297040763 /nfs/dbraw/zinc/04/07/63/1297040763.db2.gz KDNQKUJBMQZCDZ-FUHWJXTLSA-N 1 1 347.480 3.395 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2cccs2)cc1C ZINC000305743606 1297040771 /nfs/dbraw/zinc/04/07/71/1297040771.db2.gz KDNQKUJBMQZCDZ-FUHWJXTLSA-N 1 1 347.480 3.395 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(F)c1 ZINC000305820493 1297057078 /nfs/dbraw/zinc/05/70/78/1297057078.db2.gz BDSCDZJIUKAVLH-JKSUJKDBSA-N 1 1 344.430 3.119 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(F)c1 ZINC000305820493 1297057081 /nfs/dbraw/zinc/05/70/81/1297057081.db2.gz BDSCDZJIUKAVLH-JKSUJKDBSA-N 1 1 344.430 3.119 20 10 EGCDMO CCCOc1ccc(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)cc1C ZINC000873106467 1297275235 /nfs/dbraw/zinc/27/52/35/1297275235.db2.gz OGKDCHOKIPHNBX-GOSISDBHSA-N 1 1 330.403 3.239 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1[O-] ZINC000873263082 1297396640 /nfs/dbraw/zinc/39/66/40/1297396640.db2.gz FRDVRAQKFITIJH-MHDGFBEUSA-N 1 1 339.277 3.336 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cc(Cl)ccc1[O-] ZINC000873291431 1297412623 /nfs/dbraw/zinc/41/26/23/1297412623.db2.gz GQZUMQYASOOZRX-GDBMZVCRSA-N 1 1 338.879 3.245 20 10 EGCDMO CC(C)(C)[N@H+]1CC[C@H](NCc2c(O)cccc2Br)C1 ZINC000706804768 1298223995 /nfs/dbraw/zinc/22/39/95/1298223995.db2.gz QAJAYWIYPUDQQX-NSHDSACASA-N 1 1 327.266 3.117 20 10 EGCDMO CC(C)(C)N1CC[C@H]([NH2+]Cc2c(O)cccc2Br)C1 ZINC000706804768 1298223998 /nfs/dbraw/zinc/22/39/98/1298223998.db2.gz QAJAYWIYPUDQQX-NSHDSACASA-N 1 1 327.266 3.117 20 10 EGCDMO CC[C@@H](C[NH2+]Cc1cc(F)cc(F)c1O)NC(=O)OC(C)(C)C ZINC000708483675 1298239082 /nfs/dbraw/zinc/23/90/82/1298239082.db2.gz FOCCIKOSFLKMHP-LBPRGKRZSA-N 1 1 330.375 3.063 20 10 EGCDMO C[C@H]([NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1O ZINC000715109254 1298279083 /nfs/dbraw/zinc/27/90/83/1298279083.db2.gz IWHKJSCAWDGLMI-SGMGOOAPSA-N 1 1 338.423 3.485 20 10 EGCDMO [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000715778768 1298287406 /nfs/dbraw/zinc/28/74/06/1298287406.db2.gz MIOGRPFBDKOCIU-QWHCGFSZSA-N 1 1 343.240 3.010 20 10 EGCDMO Oc1cccc(Br)c1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719527325 1298319544 /nfs/dbraw/zinc/31/95/44/1298319544.db2.gz GZWWBIHTWRECOR-UHFFFAOYSA-N 1 1 339.258 3.390 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)CCCn2cc[nH+]c2C)cc1 ZINC000725879740 1298380539 /nfs/dbraw/zinc/38/05/39/1298380539.db2.gz LCXRSCPOXHHONW-UHFFFAOYSA-N 1 1 342.487 3.477 20 10 EGCDMO Cc1[nH+]ccn1CCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000725891516 1298383777 /nfs/dbraw/zinc/38/37/77/1298383777.db2.gz FVIAWMUKUICNJV-UHFFFAOYSA-N 1 1 340.471 3.278 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)C[C@@H](OC)C2CCOCC2)cc1 ZINC000876551804 1298823224 /nfs/dbraw/zinc/82/32/24/1298823224.db2.gz XDFVINOVEHPYKN-HXUWFJFHSA-N 1 1 334.504 3.406 20 10 EGCDMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(N3CCC(O)CC3)cc2)no1 ZINC000876591303 1298852627 /nfs/dbraw/zinc/85/26/27/1298852627.db2.gz GFGRMJHOEJXDLG-FQEVSTJZSA-N 1 1 341.455 3.281 20 10 EGCDMO Cc1cc([C@@H]2CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)no1 ZINC000876591303 1298852640 /nfs/dbraw/zinc/85/26/40/1298852640.db2.gz GFGRMJHOEJXDLG-FQEVSTJZSA-N 1 1 341.455 3.281 20 10 EGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CCC(O)CC3)cc2)on1 ZINC000876617075 1298871762 /nfs/dbraw/zinc/87/17/62/1298871762.db2.gz FKZHXMSWDBDZQV-LJQANCHMSA-N 1 1 341.455 3.281 20 10 EGCDMO Cc1cccc(O)c1C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000876660885 1298906819 /nfs/dbraw/zinc/90/68/19/1298906819.db2.gz BAHQWPLULDEJDS-UHFFFAOYSA-N 1 1 338.451 3.437 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000876736215 1298945832 /nfs/dbraw/zinc/94/58/32/1298945832.db2.gz UKYMWVKWALOHDW-GDBMZVCRSA-N 1 1 334.460 3.436 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000877031838 1299121665 /nfs/dbraw/zinc/12/16/65/1299121665.db2.gz VSHQMGNVFSJGPR-UHFFFAOYSA-N 1 1 340.383 3.400 20 10 EGCDMO CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000749588469 1299239863 /nfs/dbraw/zinc/23/98/63/1299239863.db2.gz QLCQCZPHJDAWDH-LJQANCHMSA-N 1 1 329.488 3.168 20 10 EGCDMO CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877468813 1299321548 /nfs/dbraw/zinc/32/15/48/1299321548.db2.gz NLKXBSCWNXTDPT-NRFANRHFSA-N 1 1 346.515 3.021 20 10 EGCDMO Cc1cccc(O)c1C[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000877505751 1299354400 /nfs/dbraw/zinc/35/44/00/1299354400.db2.gz XYYKAOQKQUZINC-UHFFFAOYSA-N 1 1 334.423 3.446 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H]3c3cccnc3)cc2)CC1 ZINC000877524388 1299368326 /nfs/dbraw/zinc/36/83/26/1299368326.db2.gz WJRBFRSDPNUQKA-NRFANRHFSA-N 1 1 337.467 3.380 20 10 EGCDMO CN(C)c1cc(F)c(C[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1F ZINC000877645654 1299452758 /nfs/dbraw/zinc/45/27/58/1299452758.db2.gz RHLYABYWFIUYBT-INIZCTEOSA-N 1 1 347.409 3.217 20 10 EGCDMO CN(C)c1cc(F)c(C[N@H+]2CC[C@H](OCc3ccccn3)C2)cc1F ZINC000877645654 1299452761 /nfs/dbraw/zinc/45/27/61/1299452761.db2.gz RHLYABYWFIUYBT-INIZCTEOSA-N 1 1 347.409 3.217 20 10 EGCDMO COC(=O)c1cc(C[NH2+]Cc2cc(C)n(-c3ccccc3)c2C)on1 ZINC000877656731 1299459524 /nfs/dbraw/zinc/45/95/24/1299459524.db2.gz ACNCFBUPFNRBNR-UHFFFAOYSA-N 1 1 339.395 3.159 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)c(OC)c1 ZINC000877708860 1299498249 /nfs/dbraw/zinc/49/82/49/1299498249.db2.gz YAVOBGQOHGKVJI-LBPRGKRZSA-N 1 1 345.270 3.020 20 10 EGCDMO CCc1cc(C[N@H+]2CC[C@@](F)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751940515 1299659540 /nfs/dbraw/zinc/65/95/40/1299659540.db2.gz VEAJCQMQBAYDFT-IBGZPJMESA-N 1 1 337.435 3.339 20 10 EGCDMO CCc1cnc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000753535265 1299966293 /nfs/dbraw/zinc/96/62/93/1299966293.db2.gz JXWIEFUIRZCLGQ-UHFFFAOYSA-N 1 1 331.485 3.426 20 10 EGCDMO CCc1cnc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000753535265 1299966304 /nfs/dbraw/zinc/96/63/04/1299966304.db2.gz JXWIEFUIRZCLGQ-UHFFFAOYSA-N 1 1 331.485 3.426 20 10 EGCDMO CCCC[N@@H+](CCn1c(C)ncc1[N+](=O)[O-])Cc1ccccc1O ZINC000878565887 1300082337 /nfs/dbraw/zinc/08/23/37/1300082337.db2.gz VKBCGPSXMCISLV-UHFFFAOYSA-N 1 1 332.404 3.108 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@@H+]2CCCN(C(=O)OCC(C)C)CC2)c1 ZINC000754729529 1300202088 /nfs/dbraw/zinc/20/20/88/1300202088.db2.gz AHHXQAPFTXZICN-UHFFFAOYSA-N 1 1 334.460 3.309 20 10 EGCDMO Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)C1 ZINC000755787843 1300396765 /nfs/dbraw/zinc/39/67/65/1300396765.db2.gz CKSFPHGPEIRYHO-ZDUSSCGKSA-N 1 1 329.444 3.118 20 10 EGCDMO COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000756433363 1300489794 /nfs/dbraw/zinc/48/97/94/1300489794.db2.gz YILHGEPCQUNIAY-CVEARBPZSA-N 1 1 348.487 3.484 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000756604779 1300530923 /nfs/dbraw/zinc/53/09/23/1300530923.db2.gz FGSVBDHVEWHYRX-AWEZNQCLSA-N 1 1 343.423 3.389 20 10 EGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)C12CCC2 ZINC000756612644 1300531365 /nfs/dbraw/zinc/53/13/65/1300531365.db2.gz LWHYIPJXSTZHRV-CSMYWGQOSA-N 1 1 333.428 3.177 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756614654 1300532509 /nfs/dbraw/zinc/53/25/09/1300532509.db2.gz UFNFZQOIOIKHQD-OUAUKWLOSA-N 1 1 345.256 3.427 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756614654 1300532500 /nfs/dbraw/zinc/53/25/00/1300532500.db2.gz UFNFZQOIOIKHQD-OUAUKWLOSA-N 1 1 345.256 3.427 20 10 EGCDMO CC(C)=C(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000761982851 1301582550 /nfs/dbraw/zinc/58/25/50/1301582550.db2.gz 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ZINC000768440804 1302904416 /nfs/dbraw/zinc/90/44/16/1302904416.db2.gz DZISTFYZRODGCH-MRXNPFEDSA-N 1 1 349.814 3.112 20 10 EGCDMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768452845 1302908580 /nfs/dbraw/zinc/90/85/80/1302908580.db2.gz TWEUKYMBDTVEGW-WMZOPIPTSA-N 1 1 341.407 3.164 20 10 EGCDMO CCC1(CC)[C@H](OC)C[C@H]1[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000768462992 1302910645 /nfs/dbraw/zinc/91/06/45/1302910645.db2.gz PUPHLGPSQBWNLC-QZTJIDSGSA-N 1 1 337.460 3.435 20 10 EGCDMO C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768518832 1302922438 /nfs/dbraw/zinc/92/24/38/1302922438.db2.gz JBOQFRAIFMURME-DOTOQJQBSA-N 1 1 347.459 3.178 20 10 EGCDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769008397 1303030573 /nfs/dbraw/zinc/03/05/73/1303030573.db2.gz XKRRITPFRMCLCE-FUHWJXTLSA-N 1 1 331.504 3.269 20 10 EGCDMO CC1(C)C[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C(C)(C)CO1 ZINC000769444760 1303113959 /nfs/dbraw/zinc/11/39/59/1303113959.db2.gz 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EGCDMO COc1c(O)ccc(C[N@H+](C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000891396927 1305040437 /nfs/dbraw/zinc/04/04/37/1305040437.db2.gz HQFJHUPDBZRHFS-UHFFFAOYSA-N 1 1 345.399 3.007 20 10 EGCDMO COc1c(O)ccc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000891396927 1305040443 /nfs/dbraw/zinc/04/04/43/1305040443.db2.gz HQFJHUPDBZRHFS-UHFFFAOYSA-N 1 1 345.399 3.007 20 10 EGCDMO CC(C)[C@H](F)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000784442010 1305245093 /nfs/dbraw/zinc/24/50/93/1305245093.db2.gz KOKJKSSPRLGQKX-HOCLYGCPSA-N 1 1 342.842 3.120 20 10 EGCDMO COc1ccc(CNC[C@H](C2CCCCC2)[NH+](C)C)c(O)c1OC ZINC000892597228 1305460634 /nfs/dbraw/zinc/46/06/34/1305460634.db2.gz QJXKYVMQYHXLJG-MRXNPFEDSA-N 1 1 336.476 3.010 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000786937936 1305662518 /nfs/dbraw/zinc/66/25/18/1305662518.db2.gz IDZJJDSKEUYEGI-NSHDSACASA-N 1 1 335.350 3.350 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc(C)cc1 ZINC000788276156 1305912491 /nfs/dbraw/zinc/91/24/91/1305912491.db2.gz RWDARZUAIKMPAP-KBXCAEBGSA-N 1 1 326.440 3.040 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@@H]2C)c(C)n1-c1ccc(C)cc1 ZINC000788276156 1305912502 /nfs/dbraw/zinc/91/25/02/1305912502.db2.gz RWDARZUAIKMPAP-KBXCAEBGSA-N 1 1 326.440 3.040 20 10 EGCDMO CC[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000788442701 1305942386 /nfs/dbraw/zinc/94/23/86/1305942386.db2.gz IEHVNUMDMFKZSD-UHFFFAOYSA-N 1 1 335.492 3.489 20 10 EGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000893960143 1306148593 /nfs/dbraw/zinc/14/85/93/1306148593.db2.gz QEPFGGSALIAMMS-KRWDZBQOSA-N 1 1 345.439 3.099 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000894093664 1306213580 /nfs/dbraw/zinc/21/35/80/1306213580.db2.gz HBLHDKNMMRIGDW-JKSUJKDBSA-N 1 1 331.412 3.390 20 10 EGCDMO CC(C)[N@@H+](CCC(=O)Nc1cccnc1)Cc1ccc(N(C)C)cc1 ZINC000790123135 1306264191 /nfs/dbraw/zinc/26/41/91/1306264191.db2.gz HZPPSDLWAYFOHR-UHFFFAOYSA-N 1 1 340.471 3.387 20 10 EGCDMO C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cc(Br)ccc1O ZINC000790934269 1308890284 /nfs/dbraw/zinc/89/02/84/1308890284.db2.gz JFMBUTWNENMUGI-FZMZJTMJSA-N 1 1 328.250 3.280 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000792174517 1309135973 /nfs/dbraw/zinc/13/59/73/1309135973.db2.gz URUIHWTWADDFCK-KRWDZBQOSA-N 1 1 339.769 3.417 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000792174517 1309135977 /nfs/dbraw/zinc/13/59/77/1309135977.db2.gz URUIHWTWADDFCK-KRWDZBQOSA-N 1 1 339.769 3.417 20 10 EGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000792208097 1309143566 /nfs/dbraw/zinc/14/35/66/1309143566.db2.gz IZQKKXHYKIPHGJ-GOSISDBHSA-N 1 1 348.487 3.328 20 10 EGCDMO CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000792208097 1309143568 /nfs/dbraw/zinc/14/35/68/1309143568.db2.gz IZQKKXHYKIPHGJ-GOSISDBHSA-N 1 1 348.487 3.328 20 10 EGCDMO Cc1nnc([C@@H]2CC[N@@H+](Cc3cc(-c4ccccc4)ccc3O)C2)[nH]1 ZINC000895007651 1309155120 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20 10 EGCDMO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN(C)C2)c(C(F)(F)F)c1 ZINC000792972723 1309272746 /nfs/dbraw/zinc/27/27/46/1309272746.db2.gz AXOHCJLLRCRBCX-CYBMUJFWSA-N 1 1 329.410 3.203 20 10 EGCDMO CN(C)c1ccc(CNC[C@H]2CCC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972723 1309272758 /nfs/dbraw/zinc/27/27/58/1309272758.db2.gz AXOHCJLLRCRBCX-CYBMUJFWSA-N 1 1 329.410 3.203 20 10 EGCDMO CN(C)c1ccc(CNC[C@H]2CCC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972723 1309272764 /nfs/dbraw/zinc/27/27/64/1309272764.db2.gz AXOHCJLLRCRBCX-CYBMUJFWSA-N 1 1 329.410 3.203 20 10 EGCDMO O=C(OCc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1O ZINC000793255230 1309334299 /nfs/dbraw/zinc/33/42/99/1309334299.db2.gz OOFGFGPFLZLRHC-SFHVURJKSA-N 1 1 325.408 3.490 20 10 EGCDMO O=C(OCc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000793255230 1309334309 /nfs/dbraw/zinc/33/43/09/1309334309.db2.gz OOFGFGPFLZLRHC-SFHVURJKSA-N 1 1 325.408 3.490 20 10 EGCDMO CC[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(F)cc1O ZINC000796701128 1310067344 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COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)c2cc(C)cc(C)c2)c1 ZINC000800993836 1310849499 /nfs/dbraw/zinc/84/94/99/1310849499.db2.gz ZNMXSZGUNKHJBL-IFXJQAMLSA-N 1 1 343.423 3.180 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000824596615 1320268971 /nfs/dbraw/zinc/26/89/71/1320268971.db2.gz IYLXIGCROZNCDE-KRWDZBQOSA-N 1 1 344.842 3.417 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1Cl ZINC000824596615 1320268975 /nfs/dbraw/zinc/26/89/75/1320268975.db2.gz IYLXIGCROZNCDE-KRWDZBQOSA-N 1 1 344.842 3.417 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]C[C@]3(C)CC3(Cl)Cl)cc2)CC1 ZINC000824773985 1320283988 /nfs/dbraw/zinc/28/39/88/1320283988.db2.gz PMKIQTLHXAUPBF-INIZCTEOSA-N 1 1 342.314 3.112 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)OC3(CCOCC3)C2)cc1Cl ZINC000825731687 1320358762 /nfs/dbraw/zinc/35/87/62/1320358762.db2.gz KGMBLNMTNJTABL-ZDUSSCGKSA-N 1 1 325.836 3.124 20 10 EGCDMO COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000825737292 1320359615 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C[NH+](C)CCN(Cc1ccccn1)Cc1c(O)ccc(Cl)c1F ZINC000809741501 1317885952 /nfs/dbraw/zinc/88/59/52/1317885952.db2.gz WZJMPXXYKOYSHY-UHFFFAOYSA-N 1 1 337.826 3.144 20 10 EGCDMO C[NH+](C)CCN(Cc1ccco1)Cc1c(O)ccc(Cl)c1F ZINC000809745996 1317887176 /nfs/dbraw/zinc/88/71/76/1317887176.db2.gz IWDJNOXQIGCGAI-UHFFFAOYSA-N 1 1 326.799 3.342 20 10 EGCDMO C[N@H+](Cc1ccc2c(c1)CCN2Cc1ccccc1)C[C@H](O)C1CC1 ZINC000809750923 1317889850 /nfs/dbraw/zinc/88/98/50/1317889850.db2.gz BTURBPFRGZFNGT-QFIPXVFZSA-N 1 1 336.479 3.452 20 10 EGCDMO COc1cccc(O)c1C[N@@H+](CCc1ccccn1)Cc1ccncc1 ZINC000809762256 1317893472 /nfs/dbraw/zinc/89/34/72/1317893472.db2.gz JEFJQVJORWLONA-UHFFFAOYSA-N 1 1 349.434 3.436 20 10 EGCDMO C[C@@]1(CCCO)CCC[N@@H+]1Cc1cccc(Br)c1O ZINC000809757736 1317893757 /nfs/dbraw/zinc/89/37/57/1317893757.db2.gz SSENBRGIMHTSSV-HNNXBMFYSA-N 1 1 328.250 3.282 20 10 EGCDMO C[C@@]1(CCCO)CCC[N@H+]1Cc1cccc(Br)c1O ZINC000809757736 1317893763 /nfs/dbraw/zinc/89/37/63/1317893763.db2.gz SSENBRGIMHTSSV-HNNXBMFYSA-N 1 1 328.250 3.282 20 10 EGCDMO CCC[N@@H+](CCC[NH+](C)C)Cc1cccc(Br)c1[O-] ZINC000809756991 1317894149 /nfs/dbraw/zinc/89/41/49/1317894149.db2.gz QQBURARQPMPBDE-UHFFFAOYSA-N 1 1 329.282 3.318 20 10 EGCDMO CN(CCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-])CC[NH+](C)C ZINC000809787722 1317901182 /nfs/dbraw/zinc/90/11/82/1317901182.db2.gz IAIFTWPAGNFTQG-UHFFFAOYSA-N 1 1 348.318 3.014 20 10 EGCDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000858353079 1328743443 /nfs/dbraw/zinc/74/34/43/1328743443.db2.gz IUOGARCCWDYJDR-ZDUSSCGKSA-N 1 1 349.475 3.403 20 10 EGCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000811964030 1318298019 /nfs/dbraw/zinc/29/80/19/1318298019.db2.gz AKRUDTWQSWBGEY-OAHLLOKOSA-N 1 1 342.487 3.339 20 10 EGCDMO CCc1cc(C[N@H+]2CCOC[C@@H]2CCOC)c(O)c(C(C)(C)C)c1 ZINC000812299448 1318359398 /nfs/dbraw/zinc/35/93/98/1318359398.db2.gz KJSYGWXTSTYMTC-KRWDZBQOSA-N 1 1 335.488 3.489 20 10 EGCDMO CN1C[C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000814173931 1318690073 /nfs/dbraw/zinc/69/00/73/1318690073.db2.gz TUHOHLOSZNJVJW-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000814173931 1318690082 /nfs/dbraw/zinc/69/00/82/1318690082.db2.gz TUHOHLOSZNJVJW-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO C[N@H+]1C[C@@H]2CCN(Cc3ccc(OCc4ccccc4)cc3O)[C@@H]2C1 ZINC000814173931 1318690092 /nfs/dbraw/zinc/69/00/92/1318690092.db2.gz TUHOHLOSZNJVJW-FXAWDEMLSA-N 1 1 338.451 3.107 20 10 EGCDMO CCc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000815011303 1318865206 /nfs/dbraw/zinc/86/52/06/1318865206.db2.gz HSDCFKUFKLIJOZ-UHFFFAOYSA-N 1 1 325.456 3.113 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@]2(O)CCCC2(C)C)c1 ZINC000815146618 1318911556 /nfs/dbraw/zinc/91/15/56/1318911556.db2.gz HWCNVTRDCMKXFC-MRXNPFEDSA-N 1 1 342.277 3.494 20 10 EGCDMO Cc1cc(C)c([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c(O)c1 ZINC000815582087 1319021532 /nfs/dbraw/zinc/02/15/32/1319021532.db2.gz XNOIPOGKCDPQDN-IAGOWNOFSA-N 1 1 332.488 3.161 20 10 EGCDMO C[N@@H+](Cc1ccc2ccccc2c1O)CC(C)(C)CN1CCOCC1 ZINC000816516609 1319173426 /nfs/dbraw/zinc/17/34/26/1319173426.db2.gz LFKDXHRESJGJQQ-UHFFFAOYSA-N 1 1 342.483 3.336 20 10 EGCDMO CCNC(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816535482 1319176899 /nfs/dbraw/zinc/17/68/99/1319176899.db2.gz PWXRUPBGECVTLM-UHFFFAOYSA-N 1 1 336.794 3.224 20 10 EGCDMO COC(=O)C1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCCCC1 ZINC000816567473 1319184862 /nfs/dbraw/zinc/18/48/62/1319184862.db2.gz BQLRTBOJBFTJHW-UHFFFAOYSA-N 1 1 329.799 3.398 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000816630481 1319196960 /nfs/dbraw/zinc/19/69/60/1319196960.db2.gz GCRJUHKKNMZZCN-AWEZNQCLSA-N 1 1 340.261 3.343 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](O)C23CCCC3)c1 ZINC000816630481 1319196966 /nfs/dbraw/zinc/19/69/66/1319196966.db2.gz GCRJUHKKNMZZCN-AWEZNQCLSA-N 1 1 340.261 3.343 20 10 EGCDMO C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817413136 1319352761 /nfs/dbraw/zinc/35/27/61/1319352761.db2.gz UQBSFCQUVLDYRO-QWHCGFSZSA-N 1 1 330.394 3.222 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@H]2C)c1 ZINC000817413374 1319353937 /nfs/dbraw/zinc/35/39/37/1319353937.db2.gz XBWOKAPKQGLMFD-ZIAGYGMSSA-N 1 1 335.444 3.343 20 10 EGCDMO COc1ccc(C)cc1[C@H](C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000817939103 1319466116 /nfs/dbraw/zinc/46/61/16/1319466116.db2.gz YWVUXMIWZXWCRF-KXBFYZLASA-N 1 1 327.472 3.420 20 10 EGCDMO COc1ccc([C@@H](C)NC[C@H]([NH3+])c2ccc(N(C)C)cc2)cc1OC ZINC000817938324 1319466315 /nfs/dbraw/zinc/46/63/15/1319466315.db2.gz JBWHYQHZZYUMDZ-KDOFPFPSSA-N 1 1 343.471 3.120 20 10 EGCDMO C[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1 ZINC000817938835 1319466937 /nfs/dbraw/zinc/46/69/37/1319466937.db2.gz UIIFZQGTGGQXOF-FOIQADDNSA-N 1 1 326.488 3.169 20 10 EGCDMO C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(Br)cc1[O-] ZINC000817965877 1319479170 /nfs/dbraw/zinc/47/91/70/1319479170.db2.gz DTCAESFZLNPMTA-NHYWBVRUSA-N 1 1 327.266 3.195 20 10 EGCDMO CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000817962460 1319479242 /nfs/dbraw/zinc/47/92/42/1319479242.db2.gz MPXMUTSWGJDZFA-MWLCHTKSSA-N 1 1 333.245 3.462 20 10 EGCDMO C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817985700 1319487048 /nfs/dbraw/zinc/48/70/48/1319487048.db2.gz MVZPZLRBRIZVBD-LLVKDONJSA-N 1 1 325.250 3.115 20 10 EGCDMO C[C@H]([NH2+]CCC1=CC[NH2+]CC1)c1ccc(Br)cc1[O-] ZINC000817987486 1319487063 /nfs/dbraw/zinc/48/70/63/1319487063.db2.gz ZWGXWAMTPSIDLG-NSHDSACASA-N 1 1 325.250 3.115 20 10 EGCDMO C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Cl)c(Cl)cc1O ZINC000818351336 1319534042 /nfs/dbraw/zinc/53/40/42/1319534042.db2.gz QYLATRRERYETES-SECBINFHSA-N 1 1 340.272 3.174 20 10 EGCDMO C[N@H+](Cc1ccccc1)C[C@H](O)CNc1ccccc1OCC1CC1 ZINC000819450662 1319735640 /nfs/dbraw/zinc/73/56/40/1319735640.db2.gz DYPLNNKZQWXSLG-LJQANCHMSA-N 1 1 340.467 3.380 20 10 EGCDMO CN(C)c1ccc(C[N@H+](CC(=O)Nc2cccc(F)c2)C2CC2)cc1 ZINC000917074022 1319748342 /nfs/dbraw/zinc/74/83/42/1319748342.db2.gz NIBNJYPEURUNFU-UHFFFAOYSA-N 1 1 341.430 3.495 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)Nc2cccc(F)c2)C2CC2)cc1 ZINC000917074022 1319748349 /nfs/dbraw/zinc/74/83/49/1319748349.db2.gz NIBNJYPEURUNFU-UHFFFAOYSA-N 1 1 341.430 3.495 20 10 EGCDMO COc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1O ZINC000822525332 1320093968 /nfs/dbraw/zinc/09/39/68/1320093968.db2.gz DXBOTURPFJSRIL-NVXWUHKLSA-N 1 1 333.815 3.362 20 10 EGCDMO Fc1cc(C[N@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1N1CCOCC1 ZINC000824942030 1320298427 /nfs/dbraw/zinc/29/84/27/1320298427.db2.gz USEBFGJHYLAXNE-FXAWDEMLSA-N 1 1 330.447 3.283 20 10 EGCDMO C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000825316833 1320327837 /nfs/dbraw/zinc/32/78/37/1320327837.db2.gz VMSBRPDLEWKKFD-QAPCUYQASA-N 1 1 327.424 3.174 20 10 EGCDMO COC(=O)[C@@H](C)[N@H+](Cc1ccc(Br)cc1O)C1CCC1 ZINC000825685682 1320355277 /nfs/dbraw/zinc/35/52/77/1320355277.db2.gz JBNZJENYMOJIIZ-SNVBAGLBSA-N 1 1 342.233 3.071 20 10 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3.229 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521786 1319175195 /nfs/dbraw/zinc/17/51/95/1319175195.db2.gz YPMAIRGXWPHJIO-YZGWKJHDSA-N 1 1 340.467 3.229 20 10 EGCDMO C[C@@](O)(C[NH2+]Cc1cc(Cl)c(F)cc1O)c1ccc(F)cc1F ZINC000816551101 1319181109 /nfs/dbraw/zinc/18/11/09/1319181109.db2.gz ORNMKLRROAGEFJ-MRXNPFEDSA-N 1 1 345.748 3.460 20 10 EGCDMO Cc1ccc(N2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3O)C2=O)cc1 ZINC000816551989 1319181194 /nfs/dbraw/zinc/18/11/94/1319181194.db2.gz XGLVHFHIVHTWEI-MRXNPFEDSA-N 1 1 348.805 3.388 20 10 EGCDMO CN(C(=O)C[NH2+]Cc1cc(Cl)c(F)cc1O)C1CCCCC1 ZINC000816556065 1319181260 /nfs/dbraw/zinc/18/12/60/1319181260.db2.gz YWSNKXQNVGQRRF-UHFFFAOYSA-N 1 1 328.815 3.065 20 10 EGCDMO O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)CCN1C1CCCCC1 ZINC000816557827 1319182857 /nfs/dbraw/zinc/18/28/57/1319182857.db2.gz CGXHOKAXCQYTCU-OAHLLOKOSA-N 1 1 340.826 3.208 20 10 EGCDMO C[S@](=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816614115 1319195027 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COc1c(O)c(C[NH2+]C[C@H](C)Oc2ccccc2C)ccc1[N+](=O)[O-] ZINC000278465718 455836704 /nfs/dbraw/zinc/83/67/04/455836704.db2.gz GFYBPDBSZYYBJG-ZDUSSCGKSA-N 1 1 346.383 3.175 20 10 EGCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCCO1 ZINC000295304787 455844956 /nfs/dbraw/zinc/84/49/56/455844956.db2.gz KJBYZPGDSBCDDS-LJQANCHMSA-N 1 1 332.488 3.303 20 10 EGCDMO Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]Cc3ccc(N(C)C)cc3)n2)c1 ZINC000278803079 455849359 /nfs/dbraw/zinc/84/93/59/455849359.db2.gz RPTKXOUQAUUNNI-CQSZACIVSA-N 1 1 336.443 3.092 20 10 EGCDMO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278886343 455851910 /nfs/dbraw/zinc/85/19/10/455851910.db2.gz OWWUPLYHLYOOIT-NSHDSACASA-N 1 1 332.356 3.168 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295600697 455855069 /nfs/dbraw/zinc/85/50/69/455855069.db2.gz XGHSYVQFNQDQTP-CQSZACIVSA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1O ZINC000295600697 455855074 /nfs/dbraw/zinc/85/50/74/455855074.db2.gz XGHSYVQFNQDQTP-CQSZACIVSA-N 1 1 325.836 3.231 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+]([C@H](C)CO)C3CCCC3)cc2)CC1 ZINC000295793248 455859624 /nfs/dbraw/zinc/85/96/24/455859624.db2.gz RRZNSRQIBUQUSX-QGZVFWFLSA-N 1 1 346.515 3.427 20 10 EGCDMO CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272362090 455925013 /nfs/dbraw/zinc/92/50/13/455925013.db2.gz SFQSDCFXZSWEPM-UHFFFAOYSA-N 1 1 342.439 3.260 20 10 EGCDMO CC[C@@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(F)cc1O ZINC000286223003 456003265 /nfs/dbraw/zinc/00/32/65/456003265.db2.gz SJLURAUNNOOZHF-QGZVFWFLSA-N 1 1 347.386 3.324 20 10 EGCDMO Cc1nn2c(C[N@@H+](C)Cc3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000271032070 456105385 /nfs/dbraw/zinc/10/53/85/456105385.db2.gz ZJFXIYKDDQDWTK-UHFFFAOYSA-N 1 1 329.473 3.106 20 10 EGCDMO Cc1nn2c(C[N@H+](C)Cc3ccc(N(C)C)cc3)c(C)nc2s1 ZINC000271032070 456105392 /nfs/dbraw/zinc/10/53/92/456105392.db2.gz ZJFXIYKDDQDWTK-UHFFFAOYSA-N 1 1 329.473 3.106 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCCC[C@@H]2CCC(=O)NC)c(O)c1 ZINC000289762159 456140342 /nfs/dbraw/zinc/14/03/42/456140342.db2.gz RAYJBRVWKTXJGT-MRXNPFEDSA-N 1 1 334.460 3.062 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1O ZINC000272999430 456140701 /nfs/dbraw/zinc/14/07/01/456140701.db2.gz YXOAOQDOUAPZSG-CVEARBPZSA-N 1 1 332.444 3.366 20 10 EGCDMO CCOc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000273306025 456222393 /nfs/dbraw/zinc/22/23/93/456222393.db2.gz CTOLZWBBLLWGDC-CYBMUJFWSA-N 1 1 329.396 3.428 20 10 EGCDMO Cc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3O)C2=O)cc1 ZINC000189088598 456223167 /nfs/dbraw/zinc/22/31/67/456223167.db2.gz VBACMGYFODPMSM-KDOFPFPSSA-N 1 1 342.414 3.291 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](OC)c2ccccc2)c1 ZINC000273427667 456230720 /nfs/dbraw/zinc/23/07/20/456230720.db2.gz UTRPYKYVEFKUAZ-FZKQIMNGSA-N 1 1 329.396 3.217 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc([C@@H](C)O)cc2)c1 ZINC000273443944 456231635 /nfs/dbraw/zinc/23/16/35/456231635.db2.gz ZISVSFAIMONQOZ-QWHCGFSZSA-N 1 1 329.396 3.083 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2ncc(C)s2)c1 ZINC000273456026 456231923 /nfs/dbraw/zinc/23/19/23/456231923.db2.gz PQKOMPJAKBZHKJ-PWSUYJOCSA-N 1 1 334.441 3.398 20 10 EGCDMO COc1cccc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)c1O ZINC000290632541 456388791 /nfs/dbraw/zinc/38/87/91/456388791.db2.gz YBPZVOBNXCQMTD-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000276399292 456469027 /nfs/dbraw/zinc/46/90/27/456469027.db2.gz DAKUTFYGEZXJIS-UHFFFAOYSA-N 1 1 339.439 3.106 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c(O)c1 ZINC000290999137 456491306 /nfs/dbraw/zinc/49/13/06/456491306.db2.gz VUEKHZNPSUDCEE-HNNXBMFYSA-N 1 1 335.835 3.478 20 10 EGCDMO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cccc(C(N)=O)c1 ZINC000298682460 456515506 /nfs/dbraw/zinc/51/55/06/456515506.db2.gz APZSRVADXBNQAY-UHFFFAOYSA-N 1 1 325.456 3.262 20 10 EGCDMO CCN(CC)c1ccc(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378371882 457394021 /nfs/dbraw/zinc/39/40/21/457394021.db2.gz QHHMQJLILVDUHI-NJDAHSKKSA-N 1 1 345.531 3.216 20 10 EGCDMO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnc(C)s3)CC2)cc1 ZINC000374681558 457686452 /nfs/dbraw/zinc/68/64/52/457686452.db2.gz VUGLXZIIBDMCBI-CYBMUJFWSA-N 1 1 332.473 3.128 20 10 EGCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnc(C)s3)CC2)cc1 ZINC000374681558 457686455 /nfs/dbraw/zinc/68/64/55/457686455.db2.gz VUGLXZIIBDMCBI-CYBMUJFWSA-N 1 1 332.473 3.128 20 10 EGCDMO O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000365150040 457728857 /nfs/dbraw/zinc/72/88/57/457728857.db2.gz IQSJMTJLNJPIOL-PMACEKPBSA-N 1 1 342.483 3.247 20 10 EGCDMO O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000365150040 457728858 /nfs/dbraw/zinc/72/88/58/457728858.db2.gz IQSJMTJLNJPIOL-PMACEKPBSA-N 1 1 342.483 3.247 20 10 EGCDMO CC[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1ccc(F)cc1O ZINC000367555652 457963264 /nfs/dbraw/zinc/96/32/64/457963264.db2.gz XDMPWHOQYPSBOA-KRWDZBQOSA-N 1 1 346.402 3.470 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000368036114 458006998 /nfs/dbraw/zinc/00/69/98/458006998.db2.gz IDWWKEDDOBLWCQ-HSALFYBXSA-N 1 1 339.435 3.405 20 10 EGCDMO O=C1NCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1c1cccs1 ZINC000371792582 458076073 /nfs/dbraw/zinc/07/60/73/458076073.db2.gz MCZFNVYEFSEEMZ-SFHVURJKSA-N 1 1 338.432 3.280 20 10 EGCDMO O=C1NCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1c1cccs1 ZINC000371792582 458076079 /nfs/dbraw/zinc/07/60/79/458076079.db2.gz MCZFNVYEFSEEMZ-SFHVURJKSA-N 1 1 338.432 3.280 20 10 EGCDMO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)c(F)cc1O ZINC000527983152 459787877 /nfs/dbraw/zinc/78/78/77/459787877.db2.gz TXHRCWJLOGEZEZ-NQTXRORDSA-N 1 1 330.197 3.123 20 10 EGCDMO COc1ccc(-n2c(C)cc(C(=O)NCC[N@@H+](C)C(C)C)c2C)cc1 ZINC000726197871 574545040 /nfs/dbraw/zinc/54/50/40/574545040.db2.gz TZWSWLXNPFVNAD-UHFFFAOYSA-N 1 1 343.471 3.173 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000728917661 574786310 /nfs/dbraw/zinc/78/63/10/574786310.db2.gz KFESBINLKIQMRJ-GOSISDBHSA-N 1 1 326.440 3.042 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2CO)c(C)n1-c1ccc(C)cc1 ZINC000728917661 574786311 /nfs/dbraw/zinc/78/63/11/574786311.db2.gz KFESBINLKIQMRJ-GOSISDBHSA-N 1 1 326.440 3.042 20 10 EGCDMO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000731450265 575074677 /nfs/dbraw/zinc/07/46/77/575074677.db2.gz WGYGWZQSVRELKA-QGZVFWFLSA-N 1 1 327.476 3.311 20 10 EGCDMO C[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000743854184 576817031 /nfs/dbraw/zinc/81/70/31/576817031.db2.gz OEZHQYIJTYICLE-YVWKXTFCSA-N 1 1 343.515 3.364 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000744798643 576834681 /nfs/dbraw/zinc/83/46/81/576834681.db2.gz LYXNGQYQSNWLED-OAHLLOKOSA-N 1 1 325.456 3.166 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000744798642 576834711 /nfs/dbraw/zinc/83/47/11/576834711.db2.gz LYXNGQYQSNWLED-HNNXBMFYSA-N 1 1 325.456 3.166 20 10 EGCDMO CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)Cc1ccc(N(C)C)cc1 ZINC000825434660 608495327 /nfs/dbraw/zinc/49/53/27/608495327.db2.gz CZXKAWWBQPYDEW-UHFFFAOYSA-N 1 1 342.472 3.016 20 10 EGCDMO Cc1cc(C(=O)CN2CC[NH+](C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000022817029 1291225712 /nfs/dbraw/zinc/22/57/12/1291225712.db2.gz AIAJLAYLIFYPCI-UHFFFAOYSA-N 1 1 339.483 3.141 20 10 EGCDMO C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(N)cc1 ZINC000035360473 1291392521 /nfs/dbraw/zinc/39/25/21/1291392521.db2.gz ZMLRYKABZPMWOG-UHFFFAOYSA-N 1 1 348.244 3.102 20 10 EGCDMO C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(N)cc1 ZINC000035360473 1291392531 /nfs/dbraw/zinc/39/25/31/1291392531.db2.gz ZMLRYKABZPMWOG-UHFFFAOYSA-N 1 1 348.244 3.102 20 10 EGCDMO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)NCc1ccccc1F ZINC000076074349 1292419150 /nfs/dbraw/zinc/41/91/50/1292419150.db2.gz DVMHHNZQRHIIGI-HNNXBMFYSA-N 1 1 344.430 3.448 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H]3C(C)(C)O)cc2)CC1 ZINC000828428503 1292462454 /nfs/dbraw/zinc/46/24/54/1292462454.db2.gz LZUDNITXQOWVBE-IBGZPJMESA-N 1 1 332.488 3.037 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nc(-c3cc(C)ccn3)no2)c1 ZINC000828681234 1292489734 /nfs/dbraw/zinc/48/97/34/1292489734.db2.gz BEWALPGGVPXLOA-GFCCVEGCSA-N 1 1 340.383 3.005 20 10 EGCDMO CC[N@H+](Cc1cc(Br)cc(OC)c1O)C[C@H]1CCCO1 ZINC000092406957 1292867249 /nfs/dbraw/zinc/86/72/49/1292867249.db2.gz TYHWWFJRVRQKNC-CYBMUJFWSA-N 1 1 344.249 3.164 20 10 EGCDMO CCC(CC)[N@@H+](CCOC)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000092565900 1292875740 /nfs/dbraw/zinc/87/57/40/1292875740.db2.gz SHNXSDPHFANTPA-UHFFFAOYSA-N 1 1 338.467 3.299 20 10 EGCDMO COc1cccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1O ZINC000092587999 1292876788 /nfs/dbraw/zinc/87/67/88/1292876788.db2.gz YTWWRUWCNVDKBN-IAGOWNOFSA-N 1 1 332.488 3.487 20 10 EGCDMO COc1cccc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1O ZINC000092587999 1292876801 /nfs/dbraw/zinc/87/68/01/1292876801.db2.gz YTWWRUWCNVDKBN-IAGOWNOFSA-N 1 1 332.488 3.487 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)cc2)CC1 ZINC000831534852 1292878486 /nfs/dbraw/zinc/87/84/86/1292878486.db2.gz SCMPRVDWPWLMPV-UZLBHIALSA-N 1 1 332.488 3.159 20 10 EGCDMO CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000834880449 1293162622 /nfs/dbraw/zinc/16/26/22/1293162622.db2.gz ALXOGUXBRQYEFL-UHIISALHSA-N 1 1 333.350 3.113 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000834885289 1293163849 /nfs/dbraw/zinc/16/38/49/1293163849.db2.gz UXPIMVZHILMRNE-YMTOWFKASA-N 1 1 332.227 3.413 20 10 EGCDMO Cc1noc(C)c1CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119333606 1293265552 /nfs/dbraw/zinc/26/55/52/1293265552.db2.gz ITXNZEURXAMUOY-QGZVFWFLSA-N 1 1 330.428 3.221 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1nnnn1-c1ccccc1)c1ccc(N(C)C)cc1 ZINC000123228550 1293437546 /nfs/dbraw/zinc/43/75/46/1293437546.db2.gz QJJMNBZSYHKEEU-CABCVRRESA-N 1 1 336.443 3.140 20 10 EGCDMO CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000123864376 1293458776 /nfs/dbraw/zinc/45/87/76/1293458776.db2.gz CBWLYMBFPYRHAA-ZDUSSCGKSA-N 1 1 338.879 3.420 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2ccc[nH]2)ccc1N1CCOCC1 ZINC000127404803 1293562491 /nfs/dbraw/zinc/56/24/91/1293562491.db2.gz GQWBWSQFKSIJMN-LJQANCHMSA-N 1 1 329.419 3.328 20 10 EGCDMO COc1cc(Br)cc(C[N@@H+]2CCS[C@H](C)C2)c1O ZINC000131322168 1293686818 /nfs/dbraw/zinc/68/68/18/1293686818.db2.gz YRYDOVNSXZWCSO-SECBINFHSA-N 1 1 332.263 3.101 20 10 EGCDMO COc1cc(Br)cc(C[N@H+]2CCS[C@H](C)C2)c1O ZINC000131322168 1293686820 /nfs/dbraw/zinc/68/68/20/1293686820.db2.gz YRYDOVNSXZWCSO-SECBINFHSA-N 1 1 332.263 3.101 20 10 EGCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc2c(cc1O)OCO2 ZINC000156848109 1294161603 /nfs/dbraw/zinc/16/16/03/1294161603.db2.gz VAVOQPLIPUEWLO-UHFFFAOYSA-N 1 1 328.412 3.209 20 10 EGCDMO CCc1cc(C[N@H+](CC)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000156937227 1294163991 /nfs/dbraw/zinc/16/39/91/1294163991.db2.gz WCNFYGUHCPNTLV-UHFFFAOYSA-N 1 1 341.517 3.119 20 10 EGCDMO CCc1cc(C[N@@H+](CC)CCS(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000156937227 1294163994 /nfs/dbraw/zinc/16/39/94/1294163994.db2.gz WCNFYGUHCPNTLV-UHFFFAOYSA-N 1 1 341.517 3.119 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C[C@H]1CCCO1 ZINC000160181260 1294260935 /nfs/dbraw/zinc/26/09/35/1294260935.db2.gz OQAPFORZSGCCSW-GOSISDBHSA-N 1 1 337.423 3.450 20 10 EGCDMO COc1cc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164274548 1294346387 /nfs/dbraw/zinc/34/63/87/1294346387.db2.gz VQXWLEQBPXRYHN-MRXNPFEDSA-N 1 1 332.488 3.368 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164274548 1294346392 /nfs/dbraw/zinc/34/63/92/1294346392.db2.gz VQXWLEQBPXRYHN-MRXNPFEDSA-N 1 1 332.488 3.368 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c1O ZINC000164606885 1294351761 /nfs/dbraw/zinc/35/17/61/1294351761.db2.gz JNZAWXUEJLOZRZ-OAQYLSRUSA-N 1 1 339.435 3.383 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H](C3OCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000178891694 1294759735 /nfs/dbraw/zinc/75/97/35/1294759735.db2.gz NGBNCIUPFWAJHR-CQSZACIVSA-N 1 1 349.471 3.283 20 10 EGCDMO COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccccc1O ZINC000179573081 1294806288 /nfs/dbraw/zinc/80/62/88/1294806288.db2.gz PMZFAIJUEXSBIL-UHFFFAOYSA-N 1 1 335.350 3.236 20 10 EGCDMO C[C@H](NC(=O)N(C)Cc1ccccc1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182888853 1295082183 /nfs/dbraw/zinc/08/21/83/1295082183.db2.gz VLDOSIAPEUKYCC-HOTGVXAUSA-N 1 1 345.487 3.187 20 10 EGCDMO CC[N@@H+](Cc1cccc(OC)c1O)[C@H]1CCN(Cc2ccccc2)C1 ZINC000184800342 1295220350 /nfs/dbraw/zinc/22/03/50/1295220350.db2.gz WQIMJWBKJHWPQN-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cccc(OC)c1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184800342 1295220360 /nfs/dbraw/zinc/22/03/60/1295220360.db2.gz WQIMJWBKJHWPQN-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cccc(OC)c1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184800342 1295220365 /nfs/dbraw/zinc/22/03/65/1295220365.db2.gz WQIMJWBKJHWPQN-IBGZPJMESA-N 1 1 340.467 3.497 20 10 EGCDMO C[C@H]([NH2+][C@H](CN1CCOCC1)c1ccccc1)c1ccc(F)cc1O ZINC000184903975 1295227753 /nfs/dbraw/zinc/22/77/53/1295227753.db2.gz DBDJXWSEQIKFEW-HNAYVOBHSA-N 1 1 344.430 3.255 20 10 EGCDMO COc1cc(C)cc(C[NH+]2CCN([C@@H](C)c3nccs3)CC2)c1O ZINC000184902904 1295228237 /nfs/dbraw/zinc/22/82/37/1295228237.db2.gz OJHLPISNWGPXQS-AWEZNQCLSA-N 1 1 347.484 3.045 20 10 EGCDMO C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000185342105 1295255749 /nfs/dbraw/zinc/25/57/49/1295255749.db2.gz LUAQJUORKYZIMB-GFCCVEGCSA-N 1 1 326.412 3.439 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189844490 1295548157 /nfs/dbraw/zinc/54/81/57/1295548157.db2.gz JDPYJFLLZNRJAB-CHWSQXEVSA-N 1 1 345.447 3.304 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245698765 1296321228 /nfs/dbraw/zinc/32/12/28/1296321228.db2.gz CTGWCLKIBUXBTB-SMDDNHRTSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245698765 1296321234 /nfs/dbraw/zinc/32/12/34/1296321234.db2.gz CTGWCLKIBUXBTB-SMDDNHRTSA-N 1 1 326.234 3.156 20 10 EGCDMO COc1ccc2ccc(O)c(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c2c1 ZINC000246740752 1296368347 /nfs/dbraw/zinc/36/83/47/1296368347.db2.gz GRPPYQMIYFILPU-IEBWSBKVSA-N 1 1 345.464 3.260 20 10 EGCDMO CC[C@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)[C@@H](O)c1ccccc1 ZINC000872132754 1296757648 /nfs/dbraw/zinc/75/76/48/1296757648.db2.gz KEDNWBJTINTGGX-IXDGSTSKSA-N 1 1 343.423 3.342 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1C ZINC000305743607 1297039733 /nfs/dbraw/zinc/03/97/33/1297039733.db2.gz KDNQKUJBMQZCDZ-SJLPKXTDSA-N 1 1 347.480 3.395 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2C[C@@H](O)c2cccs2)cc1C ZINC000305743607 1297039744 /nfs/dbraw/zinc/03/97/44/1297039744.db2.gz KDNQKUJBMQZCDZ-SJLPKXTDSA-N 1 1 347.480 3.395 20 10 EGCDMO C[C@@H](NC(=O)Nc1ccc(N)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000386334864 1297590371 /nfs/dbraw/zinc/59/03/71/1297590371.db2.gz MUKLKZXLJFNGBM-NVXWUHKLSA-N 1 1 338.455 3.301 20 10 EGCDMO CCc1nc(C)c(C[NH2+]Cc2c(O)cccc2Br)o1 ZINC000706854238 1298224285 /nfs/dbraw/zinc/22/42/85/1298224285.db2.gz XIKBWEOCMGSLCI-UHFFFAOYSA-N 1 1 325.206 3.303 20 10 EGCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Br)[C@@H]2COC[C@@H]21 ZINC000707129727 1298225467 /nfs/dbraw/zinc/22/54/67/1298225467.db2.gz MUYRRRWQIOZWCH-WCQYABFASA-N 1 1 326.234 3.012 20 10 EGCDMO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746409484 1298584396 /nfs/dbraw/zinc/58/43/96/1298584396.db2.gz GOWBLYXVCDOCBA-OAHLLOKOSA-N 1 1 330.453 3.190 20 10 EGCDMO CN(C(=O)C1=CC(=O)CS1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746409484 1298584406 /nfs/dbraw/zinc/58/44/06/1298584406.db2.gz GOWBLYXVCDOCBA-OAHLLOKOSA-N 1 1 330.453 3.190 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000876531426 1298807683 /nfs/dbraw/zinc/80/76/83/1298807683.db2.gz FXVNMDYELVNSMO-UHFFFAOYSA-N 1 1 340.467 3.288 20 10 EGCDMO COc1cccc(C[N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000876532746 1298809936 /nfs/dbraw/zinc/80/99/36/1298809936.db2.gz LUDCYVDVOYGNFR-UHFFFAOYSA-N 1 1 340.467 3.288 20 10 EGCDMO COc1ncc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531641 1298810985 /nfs/dbraw/zinc/81/09/85/1298810985.db2.gz LDLURKWRSRNPGX-AWEZNQCLSA-N 1 1 334.441 3.039 20 10 EGCDMO COc1ncc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876531641 1298810993 /nfs/dbraw/zinc/81/09/93/1298810993.db2.gz LDLURKWRSRNPGX-AWEZNQCLSA-N 1 1 334.441 3.039 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536263 1298811919 /nfs/dbraw/zinc/81/19/19/1298811919.db2.gz XDGVAAYKMIULBO-OAHLLOKOSA-N 1 1 342.405 3.422 20 10 EGCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876546254 1298817997 /nfs/dbraw/zinc/81/79/97/1298817997.db2.gz UOAMCVFCNWLELR-NRFANRHFSA-N 1 1 339.483 3.323 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCC(O)CC2)cc1)C1Cc2ccccc2C1 ZINC000876633614 1298883036 /nfs/dbraw/zinc/88/30/36/1298883036.db2.gz DBPTXQBAXXHAAT-UHFFFAOYSA-N 1 1 336.479 3.247 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000877502269 1299351436 /nfs/dbraw/zinc/35/14/36/1299351436.db2.gz DHZNKDJRCXMDAO-IBGZPJMESA-N 1 1 334.460 3.437 20 10 EGCDMO CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CC)O1 ZINC000877594095 1299419355 /nfs/dbraw/zinc/41/93/55/1299419355.db2.gz BJKIJDJWCPHQLX-BGYRXZFFSA-N 1 1 332.488 3.037 20 10 EGCDMO COc1cccc2c1C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877658668 1299461244 /nfs/dbraw/zinc/46/12/44/1299461244.db2.gz VWVZCLYYEXTGNI-UHFFFAOYSA-N 1 1 338.451 3.172 20 10 EGCDMO COc1cccc2c1C[N@@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877658668 1299461251 /nfs/dbraw/zinc/46/12/51/1299461251.db2.gz VWVZCLYYEXTGNI-UHFFFAOYSA-N 1 1 338.451 3.172 20 10 EGCDMO COc1ccc(N2CC[NH+](Cc3cc(C)ccc3OC)CC2)cc1F ZINC000753858186 1300031110 /nfs/dbraw/zinc/03/11/10/1300031110.db2.gz VBAFZWVQSKTFDB-UHFFFAOYSA-N 1 1 344.430 3.474 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)cc1F ZINC000754178150 1300100254 /nfs/dbraw/zinc/10/02/54/1300100254.db2.gz GKEPFDFXSFXJED-LLVKDONJSA-N 1 1 333.234 3.150 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)N2CCCCC2)c1 ZINC000756342514 1300471600 /nfs/dbraw/zinc/47/16/00/1300471600.db2.gz KFKWYJOHCXPOSQ-CQSZACIVSA-N 1 1 334.460 3.094 20 10 EGCDMO Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000756460497 1300496968 /nfs/dbraw/zinc/49/69/68/1300496968.db2.gz PZHLDMJXYIQQMY-GOEBONIOSA-N 1 1 333.403 3.239 20 10 EGCDMO C[C@H]([NH2+]Cc1cccc(C(=O)NC2CC2)c1)c1cc(F)cc(F)c1O ZINC000756483828 1300503320 /nfs/dbraw/zinc/50/33/20/1300503320.db2.gz SEJLEQWLZABNCD-NSHDSACASA-N 1 1 346.377 3.413 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2sc(C)nc2C)c1 ZINC000756556323 1300521700 /nfs/dbraw/zinc/52/17/00/1300521700.db2.gz WHHUMHSFCITEIH-JTQLQIEISA-N 1 1 334.441 3.145 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccccc2)c1 ZINC000756704243 1300549949 /nfs/dbraw/zinc/54/99/49/1300549949.db2.gz IVIXVFJSAOSRSU-UONOGXRCSA-N 1 1 329.396 3.297 20 10 EGCDMO Cc1ccc(N2CC[C@@H]([NH2+][C@@H](C)c3cc(F)cc(F)c3O)C2=O)cc1 ZINC000756734751 1300556518 /nfs/dbraw/zinc/55/65/18/1300556518.db2.gz YSZPZUIGNDPSHV-YVEFUNNKSA-N 1 1 346.377 3.435 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900684 1300585931 /nfs/dbraw/zinc/58/59/31/1300585931.db2.gz XGJONBFMUUTDBW-OAQYLSRUSA-N 1 1 338.451 3.389 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900684 1300585938 /nfs/dbraw/zinc/58/59/38/1300585938.db2.gz XGJONBFMUUTDBW-OAQYLSRUSA-N 1 1 338.451 3.389 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000761225300 1301424041 /nfs/dbraw/zinc/42/40/41/1301424041.db2.gz CGKZLUUDIMQLSR-UHFFFAOYSA-N 1 1 343.515 3.366 20 10 EGCDMO O=C1O[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)CC12CC2 ZINC000763732825 1301952855 /nfs/dbraw/zinc/95/28/55/1301952855.db2.gz WGRWUPACOZDBFN-MRXNPFEDSA-N 1 1 327.380 3.083 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000882921110 1302168374 /nfs/dbraw/zinc/16/83/74/1302168374.db2.gz YYWMDMVDXJURKX-LBPRGKRZSA-N 1 1 336.357 3.426 20 10 EGCDMO C[C@@H](NCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000764948870 1302173621 /nfs/dbraw/zinc/17/36/21/1302173621.db2.gz JEXPEPQUMLCBQH-GUDVDZBRSA-N 1 1 345.531 3.152 20 10 EGCDMO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)c2ccccc21 ZINC000883076884 1302234288 /nfs/dbraw/zinc/23/42/88/1302234288.db2.gz QAWLMDOEWGZQBF-MRXNPFEDSA-N 1 1 332.350 3.258 20 10 EGCDMO C[C@@](O)(C[NH2+]Cc1cc(F)cc(F)c1O)c1ccccc1Cl ZINC000883088730 1302241244 /nfs/dbraw/zinc/24/12/44/1302241244.db2.gz OTYMEYVYSYJSMU-MRXNPFEDSA-N 1 1 327.758 3.321 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)CC1 ZINC000883282671 1302360556 /nfs/dbraw/zinc/36/05/56/1302360556.db2.gz AALKWRPXUZZPAC-UHFFFAOYSA-N 1 1 334.467 3.210 20 10 EGCDMO CCOc1ccc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000883284208 1302361852 /nfs/dbraw/zinc/36/18/52/1302361852.db2.gz HVNCTIKZQYQGJB-UHFFFAOYSA-N 1 1 339.483 3.127 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000767014635 1302564923 /nfs/dbraw/zinc/56/49/23/1302564923.db2.gz FCPWAQSBYARODH-FQEVSTJZSA-N 1 1 326.440 3.124 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@](C)(O)C2)c(C)n1-c1ccccc1 ZINC000767014635 1302564933 /nfs/dbraw/zinc/56/49/33/1302564933.db2.gz FCPWAQSBYARODH-FQEVSTJZSA-N 1 1 326.440 3.124 20 10 EGCDMO CCC[N@@H+](Cc1ccc(F)cc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440894 1302902680 /nfs/dbraw/zinc/90/26/80/1302902680.db2.gz VBPRHQZEDBPCQC-SFHVURJKSA-N 1 1 331.387 3.369 20 10 EGCDMO COc1ccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@H]3O)cc1 ZINC000768442005 1302903542 /nfs/dbraw/zinc/90/35/42/1302903542.db2.gz NFADTPHSOIZIFT-IEBWSBKVSA-N 1 1 341.407 3.164 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)[C@@H]1c1ccccc1 ZINC000768440898 1302904305 /nfs/dbraw/zinc/90/43/05/1302904305.db2.gz APRGJHKWUJQXPB-IEBWSBKVSA-N 1 1 325.408 3.401 20 10 EGCDMO CC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)Cc1c(F)cccc1F ZINC000768443999 1302906008 /nfs/dbraw/zinc/90/60/08/1302906008.db2.gz KVZJZRRYEVSYTO-KRWDZBQOSA-N 1 1 335.350 3.118 20 10 EGCDMO CC[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)Cc1c(F)cccc1F ZINC000768443999 1302906016 /nfs/dbraw/zinc/90/60/16/1302906016.db2.gz KVZJZRRYEVSYTO-KRWDZBQOSA-N 1 1 335.350 3.118 20 10 EGCDMO C[N@@H+](CCc1ccc(Cl)cc1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768447720 1302906854 /nfs/dbraw/zinc/90/68/54/1302906854.db2.gz PBNUZENHWHSNRI-QGZVFWFLSA-N 1 1 333.815 3.146 20 10 EGCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)on1 ZINC000768877679 1303004070 /nfs/dbraw/zinc/00/40/70/1303004070.db2.gz JNMZBDHCMTXYTH-GOSISDBHSA-N 1 1 345.418 3.296 20 10 EGCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)on1 ZINC000768877679 1303004074 /nfs/dbraw/zinc/00/40/74/1303004074.db2.gz JNMZBDHCMTXYTH-GOSISDBHSA-N 1 1 345.418 3.296 20 10 EGCDMO CCCNC(=O)C[N@@H+](CCC)Cc1ccc(N2CCCCC2)cc1 ZINC000768931271 1303015779 /nfs/dbraw/zinc/01/57/79/1303015779.db2.gz SFHVBMWZXBZERX-UHFFFAOYSA-N 1 1 331.504 3.415 20 10 EGCDMO CCOc1ccc(C[NH+]2CCN(C(=O)C3CCCCC3)CC2)c(O)c1 ZINC000769140091 1303054900 /nfs/dbraw/zinc/05/49/00/1303054900.db2.gz AEAMOENEPPYPGB-UHFFFAOYSA-N 1 1 346.471 3.015 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000769262609 1303083016 /nfs/dbraw/zinc/08/30/16/1303083016.db2.gz ZTMLVHHDPWBYLV-QGZVFWFLSA-N 1 1 333.476 3.194 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCCO1 ZINC000769319714 1303092311 /nfs/dbraw/zinc/09/23/11/1303092311.db2.gz XXAFLOAGTKTZHI-HNNXBMFYSA-N 1 1 333.432 3.196 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000769386661 1303104006 /nfs/dbraw/zinc/10/40/06/1303104006.db2.gz DLXUCHKXGKACNK-OAHLLOKOSA-N 1 1 348.487 3.165 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1c(O)ccc3ccncc31)CC2 ZINC000770652629 1303300228 /nfs/dbraw/zinc/30/02/28/1303300228.db2.gz UOXKGIYFWWSROG-UHFFFAOYSA-N 1 1 348.402 3.285 20 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ZINC000886495091 1303476525 /nfs/dbraw/zinc/47/65/25/1303476525.db2.gz HRGOPCJVYNPXAP-CRAIPNDOSA-N 1 1 344.430 3.255 20 10 EGCDMO CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc1 ZINC000886580392 1303510631 /nfs/dbraw/zinc/51/06/31/1303510631.db2.gz HVJANGDMSKNIBU-LBPRGKRZSA-N 1 1 337.416 3.176 20 10 EGCDMO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1c(O)cccc1F ZINC000886614104 1303524157 /nfs/dbraw/zinc/52/41/57/1303524157.db2.gz NKXURNGGPXXZRB-AWEZNQCLSA-N 1 1 330.403 3.219 20 10 EGCDMO C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Cl)c(Cl)cc1O ZINC000886670114 1303548803 /nfs/dbraw/zinc/54/88/03/1303548803.db2.gz JRCDESIDXHEBMU-GARJFASQSA-N 1 1 334.243 3.280 20 10 EGCDMO Oc1ccc2ccncc2c1C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827794 1303583517 /nfs/dbraw/zinc/58/35/17/1303583517.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 1 1 337.467 3.389 20 10 EGCDMO Oc1ccc2ccncc2c1C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000772827794 1303583524 /nfs/dbraw/zinc/58/35/24/1303583524.db2.gz KAITVLSAWLBYRM-UZLBHIALSA-N 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Cc1cc(O)c(C[N@@H+](CCN(C)C)Cc2ccc(C#N)cc2)cc1C ZINC000060061405 1291918517 /nfs/dbraw/zinc/91/85/17/1291918517.db2.gz XPUPWRYLDOCXJB-UHFFFAOYSA-N 1 1 337.467 3.445 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@H](N3CCCC3=O)C2)ccc1N1CCCCC1 ZINC000828549231 1292473544 /nfs/dbraw/zinc/47/35/44/1292473544.db2.gz BMVIDYKUFONKLX-IBGZPJMESA-N 1 1 341.499 3.182 20 10 EGCDMO COC[C@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H](C)O1 ZINC000829113505 1292543028 /nfs/dbraw/zinc/54/30/28/1292543028.db2.gz JJQRRGFWNQMHJG-PKOBYXMFSA-N 1 1 332.488 3.221 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(Br)ccc1[O-] ZINC000843343695 1321502970 /nfs/dbraw/zinc/50/29/70/1321502970.db2.gz DSKYMIAXCGHWDV-LLVKDONJSA-N 1 1 335.245 3.464 20 10 EGCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092455352 1292870682 /nfs/dbraw/zinc/87/06/82/1292870682.db2.gz WADQZESAIXFNNN-ZDUSSCGKSA-N 1 1 326.824 3.145 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H](Nc3ccccc3)C1)OCO2 ZINC000093704440 1292929807 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Cc1cnc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000123033896 1293432633 /nfs/dbraw/zinc/43/26/33/1293432633.db2.gz RROKUMNPMTWGDJ-CYBMUJFWSA-N 1 1 335.448 3.278 20 10 EGCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000155536449 1294103081 /nfs/dbraw/zinc/10/30/81/1294103081.db2.gz PXAONFQMKJFRSL-LJQANCHMSA-N 1 1 329.488 3.025 20 10 EGCDMO CCN1CCC([N@@H+](C)Cc2cc(Br)cc(C)c2O)CC1 ZINC000158025157 1294193963 /nfs/dbraw/zinc/19/39/63/1294193963.db2.gz RRJAIOYQZNUOAY-UHFFFAOYSA-N 1 1 341.293 3.379 20 10 EGCDMO COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(O)cc1C ZINC000160459285 1294268771 /nfs/dbraw/zinc/26/87/71/1294268771.db2.gz DIHFFPCDYQKTTG-CRAIPNDOSA-N 1 1 330.472 3.158 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)c(O)cc1C ZINC000160459285 1294268779 /nfs/dbraw/zinc/26/87/79/1294268779.db2.gz DIHFFPCDYQKTTG-CRAIPNDOSA-N 1 1 330.472 3.158 20 10 EGCDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(C)cc(OC)c2O)C1 ZINC000164212244 1294345475 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CC[C@H](C)[N@@H+](C)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160146668 455432636 /nfs/dbraw/zinc/43/26/36/455432636.db2.gz ZSHTUJDLGMUWDU-HOTGVXAUSA-N 1 1 337.483 3.043 20 10 EGCDMO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000160146668 455432638 /nfs/dbraw/zinc/43/26/38/455432638.db2.gz ZSHTUJDLGMUWDU-HOTGVXAUSA-N 1 1 337.483 3.043 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000184733514 455438061 /nfs/dbraw/zinc/43/80/61/455438061.db2.gz BLBUTWMLIWJJNQ-ZDUSSCGKSA-N 1 1 349.862 3.242 20 10 EGCDMO CCN(C)c1ccc([C@@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000247944413 455657856 /nfs/dbraw/zinc/65/78/56/455657856.db2.gz DIVOBOGTHULUJX-QZTJIDSGSA-N 1 1 345.531 3.294 20 10 EGCDMO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000247944413 455657858 /nfs/dbraw/zinc/65/78/58/455657858.db2.gz DIVOBOGTHULUJX-QZTJIDSGSA-N 1 1 345.531 3.294 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192674386 455667301 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CCOc1ccc(O)c(C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000802657896 1317024380 /nfs/dbraw/zinc/02/43/80/1317024380.db2.gz CPMJQKRNDXZWMN-UHFFFAOYSA-N 1 1 330.384 3.374 20 10 EGCDMO Cc1cc(O)c(C[N@@H+](C)CCn2cc(Br)cn2)cc1C ZINC000808243300 1317650180 /nfs/dbraw/zinc/65/01/80/1317650180.db2.gz DWDYIPUOJZIERH-UHFFFAOYSA-N 1 1 338.249 3.100 20 10 EGCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(F)c1[O-] ZINC000809713804 1317873220 /nfs/dbraw/zinc/87/32/20/1317873220.db2.gz MBOUDZHVRXPDBO-ZDUSSCGKSA-N 1 1 328.815 3.065 20 10 EGCDMO CCCC[N@@H+](CCCO)Cc1cc(Br)cc(OC)c1O ZINC000809752697 1317890803 /nfs/dbraw/zinc/89/08/03/1317890803.db2.gz UVQBZYWVQBUSBP-UHFFFAOYSA-N 1 1 346.265 3.148 20 10 EGCDMO CCC[C@@]1(CO)CC[N@H+](Cc2cccc(Br)c2O)C1 ZINC000809791354 1317902059 /nfs/dbraw/zinc/90/20/59/1317902059.db2.gz XKPZPAFJRXGDOQ-OAHLLOKOSA-N 1 1 328.250 3.139 20 10 EGCDMO CCC[C@@]1(CO)CC[N@@H+](Cc2cccc(Br)c2O)C1 ZINC000809791354 1317902065 /nfs/dbraw/zinc/90/20/65/1317902065.db2.gz 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CCN(C)c1ccc(C[N@H+]2CC[C@@H](OCc3ccncc3)C2)cc1 ZINC000815106410 1318893925 /nfs/dbraw/zinc/89/39/25/1318893925.db2.gz UJLZPGIUGZLSNV-HXUWFJFHSA-N 1 1 325.456 3.329 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000815116337 1318898296 /nfs/dbraw/zinc/89/82/96/1318898296.db2.gz JMIZGELLTVLYCD-MRXNPFEDSA-N 1 1 344.377 3.070 20 10 EGCDMO Fc1cc(F)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000815152895 1318914273 /nfs/dbraw/zinc/91/42/73/1318914273.db2.gz ZHDJBQFCDRRDPF-UHFFFAOYSA-N 1 1 336.357 3.230 20 10 EGCDMO C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1cccc(C(F)(F)F)c1O ZINC000815575982 1319019931 /nfs/dbraw/zinc/01/99/31/1319019931.db2.gz GMOWKTRYIVAWLM-GFCCVEGCSA-N 1 1 346.393 3.172 20 10 EGCDMO CCCC[N@@H+](Cc1ccc2ccccc2c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000816481673 1319163342 /nfs/dbraw/zinc/16/33/42/1319163342.db2.gz DZSHJSCLDDSKPA-QGZVFWFLSA-N 1 1 347.480 3.335 20 10 EGCDMO CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516851 1319173070 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CCOC(=O)[C@]1(C)CCCC[N@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508582 1378450406 /nfs/dbraw/zinc/45/04/06/1378450406.db2.gz DIXCANBZEWZPGQ-QGZVFWFLSA-N 1 1 327.371 3.226 20 10 EGCDMO CCOC(=O)[C@]1(C)CCCC[N@@H+](Cc2cc(F)c(F)cc2O)C1 ZINC001142508582 1378450410 /nfs/dbraw/zinc/45/04/10/1378450410.db2.gz DIXCANBZEWZPGQ-QGZVFWFLSA-N 1 1 327.371 3.226 20 10 EGCDMO COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1cc(F)c(F)cc1O)C2 ZINC001142527151 1378453129 /nfs/dbraw/zinc/45/31/29/1378453129.db2.gz MGIXEZDBFRVSKR-GFCCVEGCSA-N 1 1 349.377 3.459 20 10 EGCDMO COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1cc(F)c(F)cc1O)C2 ZINC001142527151 1378453130 /nfs/dbraw/zinc/45/31/30/1378453130.db2.gz MGIXEZDBFRVSKR-GFCCVEGCSA-N 1 1 349.377 3.459 20 10 EGCDMO Cc1cccc(OC2CC[NH+](Cc3cc(F)c(F)cc3O)CC2)n1 ZINC001142531072 1378454030 /nfs/dbraw/zinc/45/40/30/1378454030.db2.gz OSDHBVPEBKRLTB-UHFFFAOYSA-N 1 1 334.366 3.417 20 10 EGCDMO CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(C(C)(C)C)c2O)C1 ZINC001143116404 1378542899 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COc1ccccc1[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2O)C1 ZINC000160276420 455444037 /nfs/dbraw/zinc/44/40/37/455444037.db2.gz ZZJNBYUMMFDKOU-CQSZACIVSA-N 1 1 343.423 3.408 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CCO)c2ccccc2)c1O ZINC000271609865 455700321 /nfs/dbraw/zinc/70/03/21/455700321.db2.gz BIEJBEHQZJIUBE-QGZVFWFLSA-N 1 1 333.815 3.462 20 10 EGCDMO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841066 455715961 /nfs/dbraw/zinc/71/59/61/455715961.db2.gz HTWBEPXUXMJKKR-XLMAVXFVSA-N 1 1 349.494 3.012 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2F)C[C@H](C)O1 ZINC000268841066 455715964 /nfs/dbraw/zinc/71/59/64/455715964.db2.gz HTWBEPXUXMJKKR-XLMAVXFVSA-N 1 1 349.494 3.012 20 10 EGCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293039392 455772872 /nfs/dbraw/zinc/77/28/72/455772872.db2.gz JPZULPIVUUMKSY-GOSISDBHSA-N 1 1 331.504 3.189 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CC[C@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278212339 455787852 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10 EGCDMO COc1c([O-])c(CN2CC(C)(C)[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000294069424 455804983 /nfs/dbraw/zinc/80/49/83/455804983.db2.gz YIFNIGUGXRCYGL-QGZVFWFLSA-N 1 1 343.383 3.287 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@](CO)(C(C)C)C2)c1O ZINC000294127923 455806278 /nfs/dbraw/zinc/80/62/78/455806278.db2.gz UGBUQUJUBNEDQG-KRWDZBQOSA-N 1 1 327.852 3.285 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429351 455835105 /nfs/dbraw/zinc/83/51/05/455835105.db2.gz SYSFFEBXVFNKAC-BBRMVZONSA-N 1 1 347.377 3.316 20 10 EGCDMO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3O)CC2)c1 ZINC000278472451 455836151 /nfs/dbraw/zinc/83/61/51/455836151.db2.gz HNQKUSWJVXBSLR-UHFFFAOYSA-N 1 1 344.367 3.097 20 10 EGCDMO C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Cl)c(Cl)cc1O ZINC000278521404 455838604 /nfs/dbraw/zinc/83/86/04/455838604.db2.gz SJYANBVRBGIMDT-LLVKDONJSA-N 1 1 345.270 3.214 20 10 EGCDMO CC(C)[N@H+](Cc1nnc2n1CCCCC2)Cc1ccc(N(C)C)cc1 ZINC000269554676 455849042 /nfs/dbraw/zinc/84/90/42/455849042.db2.gz ZRTKYXNTVHRHSZ-UHFFFAOYSA-N 1 1 341.503 3.481 20 10 EGCDMO CC(C)[N@@H+](Cc1nnc2n1CCCCC2)Cc1ccc(N(C)C)cc1 ZINC000269554676 455849044 /nfs/dbraw/zinc/84/90/44/455849044.db2.gz ZRTKYXNTVHRHSZ-UHFFFAOYSA-N 1 1 341.503 3.481 20 10 EGCDMO CC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000278921381 455852408 /nfs/dbraw/zinc/85/24/08/455852408.db2.gz KOPSWIOGHHFFSA-UHFFFAOYSA-N 1 1 347.484 3.277 20 10 EGCDMO CC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(N(C)C)cc1 ZINC000278921381 455852409 /nfs/dbraw/zinc/85/24/09/455852409.db2.gz KOPSWIOGHHFFSA-UHFFFAOYSA-N 1 1 347.484 3.277 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)CC2(CCOCC2)O1 ZINC000279769306 455872485 /nfs/dbraw/zinc/87/24/85/455872485.db2.gz NACHOGXJWHAKKC-OAHLLOKOSA-N 1 1 327.424 3.315 20 10 EGCDMO CC[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(F)cc1O ZINC000285601956 455879489 /nfs/dbraw/zinc/87/94/89/455879489.db2.gz JTVDCOZYAALWCD-SFHVURJKSA-N 1 1 340.402 3.412 20 10 EGCDMO CCOC(=O)c1c[nH+]ccc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000280065260 455882840 /nfs/dbraw/zinc/88/28/40/455882840.db2.gz PFDYLVVDCXRZMJ-UHFFFAOYSA-N 1 1 348.406 3.428 20 10 EGCDMO CCN1CCC([NH2+]Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280090753 455888750 /nfs/dbraw/zinc/88/87/50/455888750.db2.gz ZAWVYEKQJAIUOJ-UHFFFAOYSA-N 1 1 329.410 3.345 20 10 EGCDMO CC[NH+]1CCC(NCc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280090753 455888757 /nfs/dbraw/zinc/88/87/57/455888757.db2.gz ZAWVYEKQJAIUOJ-UHFFFAOYSA-N 1 1 329.410 3.345 20 10 EGCDMO C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1[O-] ZINC000187674032 455937341 /nfs/dbraw/zinc/93/73/41/455937341.db2.gz FEUUYBYAYMHIHU-MJBXVCDLSA-N 1 1 342.430 3.210 20 10 EGCDMO Cc1cnc(C[NH2+]Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000296463770 455945248 /nfs/dbraw/zinc/94/52/48/455945248.db2.gz OYCHRLMVJMFROG-STQMWFEESA-N 1 1 349.475 3.494 20 10 EGCDMO COc1c(O)c(C[NH2+]CCCc2ccccc2F)ccc1[N+](=O)[O-] ZINC000280352014 455953312 /nfs/dbraw/zinc/95/33/12/455953312.db2.gz SXOYTPQXKNJJOL-UHFFFAOYSA-N 1 1 334.347 3.171 20 10 EGCDMO CC[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1O ZINC000285980823 455954016 /nfs/dbraw/zinc/95/40/16/455954016.db2.gz HPGUADIGEYFNMV-QGZVFWFLSA-N 1 1 330.403 3.231 20 10 EGCDMO CC[C@H]([NH2+]Cc1cccc(OCC(=O)OC)c1)c1ccc(F)cc1O ZINC000286223000 456002550 /nfs/dbraw/zinc/00/25/50/456002550.db2.gz SJLURAUNNOOZHF-KRWDZBQOSA-N 1 1 347.386 3.324 20 10 EGCDMO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603333 456074057 /nfs/dbraw/zinc/07/40/57/456074057.db2.gz ISWKZGAGQPDCAG-PBHICJAKSA-N 1 1 340.895 3.323 20 10 EGCDMO NC(=O)c1ccc(C[N@@H+](Cc2c(O)cccc2Cl)C2CC2)cc1 ZINC000271114144 456130117 /nfs/dbraw/zinc/13/01/17/456130117.db2.gz VSDLCHNIIFAFMO-UHFFFAOYSA-N 1 1 330.815 3.309 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](c2ccsc2)N(C)C)c1 ZINC000273393166 456226468 /nfs/dbraw/zinc/22/64/68/456226468.db2.gz LICVTXOQNPILSY-WBMJQRKESA-N 1 1 348.468 3.194 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000273427671 456230791 /nfs/dbraw/zinc/23/07/91/456230791.db2.gz UTRPYKYVEFKUAZ-UGSOOPFHSA-N 1 1 329.396 3.217 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)c2c(C)noc2C)c1 ZINC000273483381 456234376 /nfs/dbraw/zinc/23/43/76/456234376.db2.gz MTMJEIKOPVGWRY-MNOVXSKESA-N 1 1 332.400 3.238 20 10 EGCDMO CCc1nnc(C[NH2+][C@H](C)c2ccc(Br)cc2O)s1 ZINC000290099533 456240280 /nfs/dbraw/zinc/24/02/80/456240280.db2.gz HYATXMDEISPUSC-MRVPVSSYSA-N 1 1 342.262 3.419 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)c1 ZINC000273611431 456240605 /nfs/dbraw/zinc/24/06/05/456240605.db2.gz WBGZFLSEKCJAHP-ZDUSSCGKSA-N 1 1 328.412 3.096 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)c1ccc(F)cc1O ZINC000282518323 456538770 /nfs/dbraw/zinc/53/87/70/456538770.db2.gz UFFNYUJGYRENEL-XJKSGUPXSA-N 1 1 343.402 3.488 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1 ZINC000291195724 456562145 /nfs/dbraw/zinc/56/21/45/456562145.db2.gz HBFFZTAYYQCGQE-OAQYLSRUSA-N 1 1 341.451 3.218 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000369037070 458072107 /nfs/dbraw/zinc/07/21/07/458072107.db2.gz VJFXKFTVWFSEJR-UHFFFAOYSA-N 1 1 345.418 3.037 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458735210 458153067 /nfs/dbraw/zinc/15/30/67/458153067.db2.gz IPRVXUGGCCMZJG-INIZCTEOSA-N 1 1 342.487 3.018 20 10 EGCDMO CC(F)(F)CC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000372943547 458355250 /nfs/dbraw/zinc/35/52/50/458355250.db2.gz SPNIWLOSULRQHP-ZDUSSCGKSA-N 1 1 346.805 3.172 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000377660106 458508108 /nfs/dbraw/zinc/50/81/08/458508108.db2.gz SYAFWRWMLZIFBL-QGZVFWFLSA-N 1 1 325.836 3.089 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000377660106 458508113 /nfs/dbraw/zinc/50/81/13/458508113.db2.gz SYAFWRWMLZIFBL-QGZVFWFLSA-N 1 1 325.836 3.089 20 10 EGCDMO COCCC[N@@H+](Cc1ccncc1)Cc1c(O)ccc2ccncc21 ZINC000730255128 574962653 /nfs/dbraw/zinc/96/26/53/574962653.db2.gz WLHBHNOJUHZQOD-UHFFFAOYSA-N 1 1 337.423 3.374 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](C)CCn2cccn2)c(C)n1-c1ccccc1 ZINC000732209384 575244983 /nfs/dbraw/zinc/24/49/83/575244983.db2.gz JTZQNDUXKRJRNK-UHFFFAOYSA-N 1 1 336.439 3.105 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](C)CCn2cccn2)c(C)n1-c1ccccc1 ZINC000732209384 575244986 /nfs/dbraw/zinc/24/49/86/575244986.db2.gz JTZQNDUXKRJRNK-UHFFFAOYSA-N 1 1 336.439 3.105 20 10 EGCDMO C[C@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)cc(F)c1O ZINC000756380346 576084989 /nfs/dbraw/zinc/08/49/89/576084989.db2.gz HNRYACKCPLLXPX-UFBFGSQYSA-N 1 1 344.180 3.271 20 10 EGCDMO Cc1cc(O)c(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C(C)C ZINC000738214205 576300626 /nfs/dbraw/zinc/30/06/26/576300626.db2.gz OVACBCXBKYBZFR-IBGZPJMESA-N 1 1 345.531 3.036 20 10 EGCDMO Cc1cc(O)c(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C(C)C ZINC000738214205 576300628 /nfs/dbraw/zinc/30/06/28/576300628.db2.gz OVACBCXBKYBZFR-IBGZPJMESA-N 1 1 345.531 3.036 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741722789 576713605 /nfs/dbraw/zinc/71/36/05/576713605.db2.gz RVXFWQMPNLJNEP-HUUCEWRRSA-N 1 1 331.485 3.368 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccccc1 ZINC000741787460 576721111 /nfs/dbraw/zinc/72/11/11/576721111.db2.gz GHZHFTXXCOBGFK-GOSISDBHSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@H](CCO)C2)c(C)n1-c1ccccc1 ZINC000741787460 576721113 /nfs/dbraw/zinc/72/11/13/576721113.db2.gz GHZHFTXXCOBGFK-GOSISDBHSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CCO)C2)c(C)n1-c1ccccc1 ZINC000741787462 576721227 /nfs/dbraw/zinc/72/12/27/576721227.db2.gz GHZHFTXXCOBGFK-SFHVURJKSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)c(C)n1-c1ccccc1 ZINC000741787462 576721230 /nfs/dbraw/zinc/72/12/30/576721230.db2.gz GHZHFTXXCOBGFK-SFHVURJKSA-N 1 1 340.467 3.371 20 10 EGCDMO Cc1csc([C@@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000069168153 1292234622 /nfs/dbraw/zinc/23/46/22/1292234622.db2.gz KQSKDWVECSOBOG-CYBMUJFWSA-N 1 1 335.448 3.278 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC)CC3)cc2)CC1 ZINC000828774156 1292496539 /nfs/dbraw/zinc/49/65/39/1292496539.db2.gz FIZMODMZRCOLSQ-LJQANCHMSA-N 1 1 332.488 3.303 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987860 1292525734 /nfs/dbraw/zinc/52/57/34/1292525734.db2.gz MNRQTTDFTDZIDD-KXBFYZLASA-N 1 1 329.488 3.071 20 10 EGCDMO CCN1CCC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)CC1=O ZINC000829145663 1292547109 /nfs/dbraw/zinc/54/71/09/1292547109.db2.gz CLEOZVXFQZHUIG-UHFFFAOYSA-N 1 1 329.488 3.040 20 10 EGCDMO CCCCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000092704885 1292885936 /nfs/dbraw/zinc/88/59/36/1292885936.db2.gz JXNBVBXOCGYRGI-KRWDZBQOSA-N 1 1 348.487 3.309 20 10 EGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000102572850 1292978598 /nfs/dbraw/zinc/97/85/98/1292978598.db2.gz CROGOPFGIOGISX-UHFFFAOYSA-N 1 1 334.508 3.014 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000834885286 1293163409 /nfs/dbraw/zinc/16/34/09/1293163409.db2.gz UXPIMVZHILMRNE-LKFCYVNXSA-N 1 1 332.227 3.413 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000122506149 1293415778 /nfs/dbraw/zinc/41/57/78/1293415778.db2.gz PAAAWGHEXLKMGH-MRXNPFEDSA-N 1 1 344.430 3.120 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](CO)C2)c(C)n1-c1cccc(F)c1 ZINC000122506149 1293415780 /nfs/dbraw/zinc/41/57/80/1293415780.db2.gz PAAAWGHEXLKMGH-MRXNPFEDSA-N 1 1 344.430 3.120 20 10 EGCDMO Cc1cccn2cc(C[NH2+]Cc3cccc(Br)c3O)nc12 ZINC000123988405 1293463150 /nfs/dbraw/zinc/46/31/50/1293463150.db2.gz SFNVEEPBQWLKIP-UHFFFAOYSA-N 1 1 346.228 3.401 20 10 EGCDMO CCOC(C[N@@H+](CC)Cc1cc(Br)ccc1O)OCC ZINC000124494050 1293477442 /nfs/dbraw/zinc/47/74/42/1293477442.db2.gz CJTOREDUHZTCHU-UHFFFAOYSA-N 1 1 346.265 3.376 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000151172010 1293911428 /nfs/dbraw/zinc/91/14/28/1293911428.db2.gz LWGVGFGCIUYTLI-OAHLLOKOSA-N 1 1 331.485 3.322 20 10 EGCDMO CCC[N@@H+](CC)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156822993 1294160074 /nfs/dbraw/zinc/16/00/74/1294160074.db2.gz LFVWQBFVWGMFPI-INIZCTEOSA-N 1 1 337.483 3.045 20 10 EGCDMO CCCN(CC)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156822993 1294160077 /nfs/dbraw/zinc/16/00/77/1294160077.db2.gz LFVWQBFVWGMFPI-INIZCTEOSA-N 1 1 337.483 3.045 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)CCCOc2ccccc2)cc1OC ZINC000159794995 1294247492 /nfs/dbraw/zinc/24/74/92/1294247492.db2.gz QMURPAVCEYVLQQ-UHFFFAOYSA-N 1 1 331.412 3.310 20 10 EGCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160101211 1294257470 /nfs/dbraw/zinc/25/74/70/1294257470.db2.gz RGNHCCSXUIMWJN-MRXNPFEDSA-N 1 1 344.499 3.255 20 10 EGCDMO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(C)cc(C)c1O)C[C@@H]2O ZINC000163981567 1294341547 /nfs/dbraw/zinc/34/15/47/1294341547.db2.gz WWGOVBDKHDJXGG-INIZCTEOSA-N 1 1 343.423 3.075 20 10 EGCDMO COc1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1O ZINC000171134469 1294395203 /nfs/dbraw/zinc/39/52/03/1294395203.db2.gz LEJASJALSFOVFT-UHFFFAOYSA-N 1 1 338.201 3.159 20 10 EGCDMO Oc1c(Br)cccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000179645397 1294811808 /nfs/dbraw/zinc/81/18/08/1294811808.db2.gz BCUACMGMOVZWJN-CQSZACIVSA-N 1 1 339.277 3.215 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000179884543 1294836373 /nfs/dbraw/zinc/83/63/73/1294836373.db2.gz GJFBPQAMEKBNSD-QGZVFWFLSA-N 1 1 332.488 3.345 20 10 EGCDMO COc1ccc(N2CC[NH+](CCC(=O)c3ccccc3)CC2)cc1F ZINC000182447126 1295048129 /nfs/dbraw/zinc/04/81/29/1295048129.db2.gz GCLLAABLHLKFAU-UHFFFAOYSA-N 1 1 342.414 3.229 20 10 EGCDMO CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185022053 1295235266 /nfs/dbraw/zinc/23/52/66/1295235266.db2.gz QVWCWIKHHZHVDX-IRXDYDNUSA-N 1 1 341.499 3.222 20 10 EGCDMO CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185022075 1295235433 /nfs/dbraw/zinc/23/54/33/1295235433.db2.gz QVWCWIKHHZHVDX-SJORKVTESA-N 1 1 341.499 3.222 20 10 EGCDMO CCN(Cc1ccccc1)c1ccc(C[N@@H+](CC)CC(N)=O)cc1 ZINC000188064925 1295433509 /nfs/dbraw/zinc/43/35/09/1295433509.db2.gz ICWWINLECJOQMF-UHFFFAOYSA-N 1 1 325.456 3.020 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CCCCC2)c1 ZINC000189844457 1295547977 /nfs/dbraw/zinc/54/79/77/1295547977.db2.gz JDPYJFLLZNRJAB-OLZOCXBDSA-N 1 1 345.447 3.304 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)CC[C@@H]1O ZINC000190045708 1295558656 /nfs/dbraw/zinc/55/86/56/1295558656.db2.gz QYQATGIICBHXJU-BEFAXECRSA-N 1 1 327.424 3.174 20 10 EGCDMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1 ZINC000246834259 1296371987 /nfs/dbraw/zinc/37/19/87/1296371987.db2.gz CYZIDIAIPONQEX-VBKZILBWSA-N 1 1 341.407 3.391 20 10 EGCDMO OCC[N@H+](Cc1ccccc1)Cc1cccc(Br)c1O ZINC000305726378 1297034215 /nfs/dbraw/zinc/03/42/15/1297034215.db2.gz HEEWPIDPQPEHCY-UHFFFAOYSA-N 1 1 336.229 3.149 20 10 EGCDMO OCC[N@@H+](Cc1ccccc1)Cc1cccc(Br)c1O ZINC000305726378 1297034222 /nfs/dbraw/zinc/03/42/22/1297034222.db2.gz HEEWPIDPQPEHCY-UHFFFAOYSA-N 1 1 336.229 3.149 20 10 EGCDMO C[C@H]([NH2+]CCCn1cc(Br)cn1)c1ccc(F)cc1O ZINC000383725411 1297573781 /nfs/dbraw/zinc/57/37/81/1297573781.db2.gz FEDHVJLQMRGVHO-JTQLQIEISA-N 1 1 342.212 3.231 20 10 EGCDMO CN(C(=O)Nc1ccc(N)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388880397 1297605808 /nfs/dbraw/zinc/60/58/08/1297605808.db2.gz QTFWHTMSTJMIEG-IBGZPJMESA-N 1 1 338.455 3.397 20 10 EGCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(Cl)cc(C(C)=O)c4O)[C@H]1[C@H]3C2 ZINC000394375470 1297677236 /nfs/dbraw/zinc/67/72/36/1297677236.db2.gz ZOXDVMPSNMZCFX-DOGAXHHXSA-N 1 1 335.831 3.103 20 10 EGCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@@H](C)O1 ZINC000689173782 1298124896 /nfs/dbraw/zinc/12/48/96/1298124896.db2.gz WLEPKUUTEXZFKJ-BXUZGUMPSA-N 1 1 328.250 3.462 20 10 EGCDMO 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CCN(CC)c1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1 ZINC000790930579 1308889939 /nfs/dbraw/zinc/88/99/39/1308889939.db2.gz ALBKWGYWVGZTGN-ZWOKBUDYSA-N 1 1 332.488 3.301 20 10 EGCDMO CC(C)[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)c1ccnn1C ZINC000790989767 1308905498 /nfs/dbraw/zinc/90/54/98/1308905498.db2.gz CBWDVCDHOUWKKS-LLVKDONJSA-N 1 1 325.815 3.448 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](c3nnc(C)[nH]3)C2)cc1F ZINC000895006734 1309154687 /nfs/dbraw/zinc/15/46/87/1309154687.db2.gz CMGRUKKKQYBOPX-HNNXBMFYSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1F ZINC000895006734 1309154691 /nfs/dbraw/zinc/15/46/91/1309154691.db2.gz CMGRUKKKQYBOPX-HNNXBMFYSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@H](c3nc(C)n[nH]3)C2)cc1F ZINC000895006734 1309154696 /nfs/dbraw/zinc/15/46/96/1309154696.db2.gz CMGRUKKKQYBOPX-HNNXBMFYSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@H](c3n[nH]c(C)n3)C2)cc1F ZINC000895006734 1309154702 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EGCDMO CC[C@H]([NH2+]Cc1ccc2c(c1)CCS2(=O)=O)c1ccc(F)cc1O ZINC000796833477 1310095691 /nfs/dbraw/zinc/09/56/91/1310095691.db2.gz KKVVFAAMZGNWCN-INIZCTEOSA-N 1 1 349.427 3.102 20 10 EGCDMO CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)OC)CC1)c1ccc(F)cc1O ZINC000796955600 1310115208 /nfs/dbraw/zinc/11/52/08/1310115208.db2.gz ZCFOBIOZJNMMFX-BLLLJJGKSA-N 1 1 338.423 3.439 20 10 EGCDMO C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cccc(C(F)(F)F)c1O ZINC000798182521 1310313320 /nfs/dbraw/zinc/31/33/20/1310313320.db2.gz UKDCNKWNAHZYDK-RYUDHWBXSA-N 1 1 333.350 3.257 20 10 EGCDMO C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cccc(C(F)(F)F)c1O ZINC000798182235 1310314090 /nfs/dbraw/zinc/31/40/90/1310314090.db2.gz GFOXKHQLCBQWAE-VXGBXAGGSA-N 1 1 333.350 3.257 20 10 EGCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2O)N(C)C)cc1 ZINC000898447439 1310739285 /nfs/dbraw/zinc/73/92/85/1310739285.db2.gz KDXJEHDWXHFNLB-SFHVURJKSA-N 1 1 349.425 3.129 20 10 EGCDMO CSc1ccc(CNC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000898446805 1310739535 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C[N@@H+](Cc1cc2cnccc2o1)Cc1ccc(N2CCOCC2)cc1 ZINC000845903391 1321752968 /nfs/dbraw/zinc/75/29/68/1321752968.db2.gz ZKSXTCVXLZBIGY-UHFFFAOYSA-N 1 1 337.423 3.296 20 10 EGCDMO O=C(NCc1cc(Cl)ccc1O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000846478082 1321788530 /nfs/dbraw/zinc/78/85/30/1321788530.db2.gz ZGKNXXQRILQHIA-ZDUSSCGKSA-N 1 1 336.863 3.316 20 10 EGCDMO C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000847355855 1321865377 /nfs/dbraw/zinc/86/53/77/1321865377.db2.gz IBMXFPQEBSZFFE-SNRMKQJTSA-N 1 1 344.503 3.130 20 10 EGCDMO C[C@@H](O)C[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC000848928660 1322048358 /nfs/dbraw/zinc/04/83/58/1322048358.db2.gz JUVRWHDMWPRRFJ-OAHLLOKOSA-N 1 1 327.424 3.316 20 10 EGCDMO Cc1cc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cc1C ZINC000849349602 1322115557 /nfs/dbraw/zinc/11/55/57/1322115557.db2.gz BYHFQIMVOLESGH-RTBURBONSA-N 1 1 328.431 3.383 20 10 EGCDMO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000850494603 1322257231 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3.041 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000862396025 1329482302 /nfs/dbraw/zinc/48/23/02/1329482302.db2.gz ZJYYJWMZSIJACC-CJNGLKHVSA-N 1 1 348.240 3.463 20 10 EGCDMO [NH3+]C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)CC[C@@H]1C(F)(F)F ZINC000863646624 1329570198 /nfs/dbraw/zinc/57/01/98/1329570198.db2.gz VZQISWMDJUULFW-WPRPVWTQSA-N 1 1 340.748 3.144 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])CC2)c1 ZINC001205651411 1370828362 /nfs/dbraw/zinc/82/83/62/1370828362.db2.gz DXYPFTFSDMVPPM-QWHCGFSZSA-N 1 1 341.293 3.270 20 10 EGCDMO CC(C)(C)CC[N@H+]1CC[C@@H]1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001039059751 1344743253 /nfs/dbraw/zinc/74/32/53/1344743253.db2.gz HWGFBRBAVNTMFB-OAHLLOKOSA-N 1 1 345.447 3.089 20 10 EGCDMO CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001046862843 1347135471 /nfs/dbraw/zinc/13/54/71/1347135471.db2.gz QYWCQQPQBXZUIF-GOSISDBHSA-N 1 1 343.431 3.009 20 10 EGCDMO Cc1cc(Br)cc(C[NH+]2CC3(C2)C[C@@H](F)CS3)c1O ZINC001233110168 1376569905 /nfs/dbraw/zinc/56/99/05/1376569905.db2.gz XLSSLRCCSWLTEJ-GFCCVEGCSA-N 1 1 346.265 3.493 20 10 EGCDMO CC(C)C[N@H+]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC[C@@H]1C ZINC001072102507 1355131126 /nfs/dbraw/zinc/13/11/26/1355131126.db2.gz PDEQRNZRBYKYGR-XJKSGUPXSA-N 1 1 345.447 3.088 20 10 EGCDMO CC[C@H](C)C[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001085994043 1358948627 /nfs/dbraw/zinc/94/86/27/1358948627.db2.gz AEBVJFAVPZSSOP-XJKSGUPXSA-N 1 1 345.447 3.041 20 10 EGCDMO CC/C=C(/C)C(=O)NCCC1=CCN(c2cc(CC)[nH+]c(C)n2)CC1 ZINC001089810909 1360673844 /nfs/dbraw/zinc/67/38/44/1360673844.db2.gz ZVZHGGBHSAYOIF-CHHVJCJISA-N 1 1 342.487 3.347 20 10 EGCDMO CCc1cc(N2CC=C(CCNC(=O)C(F)=C(C)C)CC2)nc(C)[nH+]1 ZINC001089821305 1360679532 /nfs/dbraw/zinc/67/95/32/1360679532.db2.gz XJVFNDAGCOQINE-UHFFFAOYSA-N 1 1 346.450 3.254 20 10 EGCDMO COCCCN1CCC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3C)CC1 ZINC001323829724 1387468374 /nfs/dbraw/zinc/46/83/74/1387468374.db2.gz MUGIAKIFJCPCKK-RDJZCZTQSA-N 1 1 332.488 3.339 20 10 EGCDMO Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC001325286408 1387928907 /nfs/dbraw/zinc/92/89/07/1387928907.db2.gz HKFVFLAVFGIQTO-UHFFFAOYSA-N 1 1 338.455 3.317 20 10 EGCDMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)[nH]1 ZINC001325350847 1387947283 /nfs/dbraw/zinc/94/72/83/1387947283.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 1 325.460 3.093 20 10 EGCDMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001325350847 1387947292 /nfs/dbraw/zinc/94/72/92/1387947292.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 1 325.460 3.093 20 10 EGCDMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n1 ZINC001325350847 1387947297 /nfs/dbraw/zinc/94/72/97/1387947297.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 1 325.460 3.093 20 10 EGCDMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC001325350847 1387947301 /nfs/dbraw/zinc/94/73/01/1387947301.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 1 325.460 3.093 20 10 EGCDMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)n[nH]1 ZINC001325350847 1387947304 /nfs/dbraw/zinc/94/73/04/1387947304.db2.gz BUJBGGLYNVAONF-KRWDZBQOSA-N 1 1 325.460 3.093 20 10 EGCDMO CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC001203001648 1369950878 /nfs/dbraw/zinc/95/08/78/1369950878.db2.gz GLJDITCGKPFAHL-UHFFFAOYSA-N 1 1 335.492 3.441 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCO[C@]2(CCCN(c3ccccc3)C2)C1 ZINC001203552014 1370166717 /nfs/dbraw/zinc/16/67/17/1370166717.db2.gz XAUYCJPNWSNEEI-OAQYLSRUSA-N 1 1 338.451 3.264 20 10 EGCDMO O=C1N(CC2CC2)c2ccccc2[C@]12CC[N@H+](Cc1ccccc1O)C2 ZINC001203556682 1370168289 /nfs/dbraw/zinc/16/82/89/1370168289.db2.gz TUCBDSIALIORIR-JOCHJYFZSA-N 1 1 348.446 3.293 20 10 EGCDMO CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC001203558311 1370169113 /nfs/dbraw/zinc/16/91/13/1370169113.db2.gz CSHMUWDYFOTAHA-SCAQPMJSSA-N 1 1 332.444 3.127 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001203601714 1370183890 /nfs/dbraw/zinc/18/38/90/1370183890.db2.gz HYLGPMOXNIFMQY-INIZCTEOSA-N 1 1 326.396 3.004 20 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/nfs/dbraw/zinc/19/63/71/1370196371.db2.gz QMYKTIWXJVALKK-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO Oc1ccc(Cl)cc1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001203657513 1370203426 /nfs/dbraw/zinc/20/34/26/1370203426.db2.gz LQSHLEHPJPTULE-WMZOPIPTSA-N 1 1 337.847 3.206 20 10 EGCDMO CCn1ncc2c1[C@@H](COC)C[N@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656172 1370204280 /nfs/dbraw/zinc/20/42/80/1370204280.db2.gz KNNRPKILPANHFL-CQSZACIVSA-N 1 1 335.835 3.008 20 10 EGCDMO CCn1ncc2c1[C@@H](COC)C[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656172 1370204285 /nfs/dbraw/zinc/20/42/85/1370204285.db2.gz KNNRPKILPANHFL-CQSZACIVSA-N 1 1 335.835 3.008 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)c1 ZINC001203677960 1370214055 /nfs/dbraw/zinc/21/40/55/1370214055.db2.gz CJJJMKDODRUREO-YLJYHZDGSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2C[C@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001203677960 1370214058 /nfs/dbraw/zinc/21/40/58/1370214058.db2.gz CJJJMKDODRUREO-YLJYHZDGSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC001203677960 1370214059 /nfs/dbraw/zinc/21/40/59/1370214059.db2.gz CJJJMKDODRUREO-YLJYHZDGSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c1 ZINC001203681021 1370216421 /nfs/dbraw/zinc/21/64/21/1370216421.db2.gz KXNBFDBSFMJTAP-PXNSSMCTSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001203681021 1370216424 /nfs/dbraw/zinc/21/64/24/1370216424.db2.gz KXNBFDBSFMJTAP-PXNSSMCTSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1ccc(O)c(CN2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001203681021 1370216428 /nfs/dbraw/zinc/21/64/28/1370216428.db2.gz KXNBFDBSFMJTAP-PXNSSMCTSA-N 1 1 338.451 3.107 20 10 EGCDMO COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)n1 ZINC001203935825 1370322281 /nfs/dbraw/zinc/32/22/81/1370322281.db2.gz FCCJJBOSWSKBHE-SFHVURJKSA-N 1 1 341.455 3.200 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001203936592 1370322482 /nfs/dbraw/zinc/32/24/82/1370322482.db2.gz HZAXJRVIKUXVOZ-UHFFFAOYSA-N 1 1 343.515 3.367 20 10 EGCDMO O=C(OCc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204282751 1370430924 /nfs/dbraw/zinc/43/09/24/1370430924.db2.gz VIUUKQSYAKDAQG-QGZVFWFLSA-N 1 1 341.407 3.053 20 10 EGCDMO O=C1c2ccccc2[C@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204323423 1370443951 /nfs/dbraw/zinc/44/39/51/1370443951.db2.gz HTVOCKABSJHFTL-OAQYLSRUSA-N 1 1 347.462 3.300 20 10 EGCDMO O=C1c2ccccc2[C@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204323423 1370443954 /nfs/dbraw/zinc/44/39/54/1370443954.db2.gz HTVOCKABSJHFTL-OAQYLSRUSA-N 1 1 347.462 3.300 20 10 EGCDMO O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204323418 1370444009 /nfs/dbraw/zinc/44/40/09/1370444009.db2.gz HTVOCKABSJHFTL-NRFANRHFSA-N 1 1 347.462 3.300 20 10 EGCDMO O=C1c2ccccc2[C@@H]2C[N@H+](Cc3ccc(N4CCCC4)cc3)CCN12 ZINC001204323418 1370444012 /nfs/dbraw/zinc/44/40/12/1370444012.db2.gz HTVOCKABSJHFTL-NRFANRHFSA-N 1 1 347.462 3.300 20 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1370909632 /nfs/dbraw/zinc/90/96/32/1370909632.db2.gz PNQXPXXRWSMCRE-ZJUUUORDSA-N 1 1 347.684 3.367 20 10 EGCDMO C[C@@H]1[C@H](C[NH3+])CCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001205915566 1370909635 /nfs/dbraw/zinc/90/96/35/1370909635.db2.gz PNQXPXXRWSMCRE-ZJUUUORDSA-N 1 1 347.684 3.367 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C[NH3+])[C@@H](C)C2)cc1Br ZINC001206024090 1370941435 /nfs/dbraw/zinc/94/14/35/1370941435.db2.gz HPTIKJNDIDJNLH-STQMWFEESA-N 1 1 341.293 3.270 20 10 EGCDMO C[C@@]1(C[NH3+])CCCC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001206575856 1371098488 /nfs/dbraw/zinc/09/84/88/1371098488.db2.gz ZYCYAPFWZHSCOQ-INIZCTEOSA-N 1 1 346.393 3.284 20 10 EGCDMO C[C@@]1(C[NH3+])CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])C1 ZINC001206575856 1371098490 /nfs/dbraw/zinc/09/84/90/1371098490.db2.gz ZYCYAPFWZHSCOQ-INIZCTEOSA-N 1 1 346.393 3.284 20 10 EGCDMO Oc1c(CN2CCC([NH2+]C3CCOCC3)CC2)ccc2ccccc21 ZINC001119450288 1371345762 /nfs/dbraw/zinc/34/57/62/1371345762.db2.gz GZRQEIZDKHMEEM-UHFFFAOYSA-N 1 1 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CCOC[C@H]1C[N@@H+](Cc2c(C)cc(C)cc2O)Cc2cnn(CC)c21 ZINC001231845279 1376325546 /nfs/dbraw/zinc/32/55/46/1376325546.db2.gz WWZXTUMLMWRGQE-QGZVFWFLSA-N 1 1 343.471 3.361 20 10 EGCDMO C[N@H+](Cc1ccccc1O)Cc1ncc(Br)cc1F ZINC001231989720 1376373263 /nfs/dbraw/zinc/37/32/63/1376373263.db2.gz RTMAMVJGEANBFF-UHFFFAOYSA-N 1 1 325.181 3.321 20 10 EGCDMO C[N@@H+](Cc1ccccc1O)Cc1ncc(Br)cc1F ZINC001231989720 1376373267 /nfs/dbraw/zinc/37/32/67/1376373267.db2.gz RTMAMVJGEANBFF-UHFFFAOYSA-N 1 1 325.181 3.321 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCOCC2)c(Cl)c1)C[C@@H]1CCCCO1 ZINC001232203529 1376417237 /nfs/dbraw/zinc/41/72/37/1376417237.db2.gz XSDLMMWKULVUHC-INIZCTEOSA-N 1 1 338.879 3.178 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2cc(Cl)c(O)cc2O)cc(OC)c1 ZINC001232261392 1376426002 /nfs/dbraw/zinc/42/60/02/1376426002.db2.gz GGRVYUPJMFWGLF-UHFFFAOYSA-N 1 1 337.803 3.400 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCCN(c3cccnc3)CC2)cc1Cl ZINC001232271560 1376426756 /nfs/dbraw/zinc/42/67/56/1376426756.db2.gz WVJMOUVGGYCUBC-UHFFFAOYSA-N 1 1 347.846 3.162 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)Cc2cccc3c2OCO3)cc1Cl ZINC001232271283 1376428259 /nfs/dbraw/zinc/42/82/59/1376428259.db2.gz UBQLHFKBFCPQGX-UHFFFAOYSA-N 1 1 335.787 3.415 20 10 EGCDMO Cc1cc(Br)cc(CN2CC[C@H]([N@@H+](C)C3CC3)C2)c1O ZINC001233111226 1376570253 /nfs/dbraw/zinc/57/02/53/1376570253.db2.gz LKNKHBXNUXCEDH-HNNXBMFYSA-N 1 1 339.277 3.132 20 10 EGCDMO CC[NH+](CC)CCN1CCN(Cc2cc(C(C)(C)C)ccc2O)CC1 ZINC001233283496 1376603340 /nfs/dbraw/zinc/60/33/40/1376603340.db2.gz IYQNNEGCEPMKFI-UHFFFAOYSA-N 1 1 347.547 3.149 20 10 EGCDMO COC[C@H]1Cn2nccc2C[N@@H+](Cc2cc(C(C)(C)C)ccc2O)C1 ZINC001233285823 1376604309 /nfs/dbraw/zinc/60/43/09/1376604309.db2.gz UTJUKOIZLGUYOP-OAHLLOKOSA-N 1 1 343.471 3.165 20 10 EGCDMO CC(C)(C)c1ccc(O)c(C[N@H+]2CC[C@H](Oc3ncc(F)cn3)C2)c1 ZINC001233287582 1376604412 /nfs/dbraw/zinc/60/44/12/1376604412.db2.gz YDMVTWBQJANMOX-INIZCTEOSA-N 1 1 345.418 3.272 20 10 EGCDMO Oc1cc(O)c(C[N@H+](Cc2ccccc2)Cc2ccccn2)cc1O 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EGCDMO CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1c(O)cccc1F ZINC001137840379 1377628479 /nfs/dbraw/zinc/62/84/79/1377628479.db2.gz ZCRGLUVIYMXRTE-AWEZNQCLSA-N 1 1 341.423 3.102 20 10 EGCDMO CC(=O)N1CC[N@@H+](Cc2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC001137859263 1377632683 /nfs/dbraw/zinc/63/26/83/1377632683.db2.gz QLSBHBZCWAWTNT-MRXNPFEDSA-N 1 1 325.456 3.147 20 10 EGCDMO CC(=O)N1CC[N@H+](Cc2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC001137859263 1377632685 /nfs/dbraw/zinc/63/26/85/1377632685.db2.gz QLSBHBZCWAWTNT-MRXNPFEDSA-N 1 1 325.456 3.147 20 10 EGCDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138122466 1377680165 /nfs/dbraw/zinc/68/01/65/1377680165.db2.gz HFGNSBRYSKWTHI-GOSISDBHSA-N 1 1 338.423 3.411 20 10 EGCDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC001138122466 1377680167 /nfs/dbraw/zinc/68/01/67/1377680167.db2.gz HFGNSBRYSKWTHI-GOSISDBHSA-N 1 1 338.423 3.411 20 10 EGCDMO CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC001138122466 1377680170 /nfs/dbraw/zinc/68/01/70/1377680170.db2.gz HFGNSBRYSKWTHI-GOSISDBHSA-N 1 1 338.423 3.411 20 10 EGCDMO C[N@@H+](Cc1cccc(F)c1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001138131336 1377683380 /nfs/dbraw/zinc/68/33/80/1377683380.db2.gz XDHIWODETGLFJV-AWEZNQCLSA-N 1 1 338.423 3.363 20 10 EGCDMO C[N@H+](Cc1cccc(F)c1O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001138131336 1377683381 /nfs/dbraw/zinc/68/33/81/1377683381.db2.gz XDHIWODETGLFJV-AWEZNQCLSA-N 1 1 338.423 3.363 20 10 EGCDMO COC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138220677 1377690865 /nfs/dbraw/zinc/69/08/65/1377690865.db2.gz MBUDHEAGFJICII-GOSISDBHSA-N 1 1 330.472 3.452 20 10 EGCDMO Cc1c(CN2CC[NH+](CCc3ccncc3)CC2)c2ccccc2n1C ZINC001138257081 1377694931 /nfs/dbraw/zinc/69/49/31/1377694931.db2.gz VCMLBDHZLJSNRV-UHFFFAOYSA-N 1 1 348.494 3.242 20 10 EGCDMO COC[C@H]1CCCC[N@H+]1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337829 1377705371 /nfs/dbraw/zinc/70/53/71/1377705371.db2.gz DGXDQTPANXHUEQ-QGZVFWFLSA-N 1 1 330.472 3.092 20 10 EGCDMO CN(CCC[NH+]1CCCC1)Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138337545 1377705628 /nfs/dbraw/zinc/70/56/28/1377705628.db2.gz UDRMMHYWMHISEJ-UHFFFAOYSA-N 1 1 343.515 3.009 20 10 EGCDMO Oc1c(C[N@H+]2CCC3(C2)CCOCC3)cc2c3c1CCCN3CCC2 ZINC001138337494 1377705900 /nfs/dbraw/zinc/70/59/00/1377705900.db2.gz RNDZJZCQEJEWCX-UHFFFAOYSA-N 1 1 342.483 3.094 20 10 EGCDMO CCOC(=O)[C@H]1CCCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138356699 1377708418 /nfs/dbraw/zinc/70/84/18/1377708418.db2.gz VMYHLJGSKOHPKO-SFHVURJKSA-N 1 1 330.472 3.234 20 10 EGCDMO CCOC(=O)[C@@]1(C)CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138355841 1377708547 /nfs/dbraw/zinc/70/85/47/1377708547.db2.gz FBISRZVGIBLUIN-FQEVSTJZSA-N 1 1 330.472 3.234 20 10 EGCDMO CCOCc1noc2c1C[N@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138358452 1377709491 /nfs/dbraw/zinc/70/94/91/1377709491.db2.gz SFVHNHLMLFLTSI-UHFFFAOYSA-N 1 1 341.455 3.152 20 10 EGCDMO CCOCc1noc2c1C[N@@H+](Cc1ccc3c(c1)CCCN3C)CC2 ZINC001138358452 1377709492 /nfs/dbraw/zinc/70/94/92/1377709492.db2.gz 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EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1C ZINC000278147567 455769912 /nfs/dbraw/zinc/76/99/12/455769912.db2.gz BUNDAGOQKHRJOD-UHFFFAOYSA-N 1 1 346.383 3.258 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)ccc1N(C)C ZINC000293470171 455787497 /nfs/dbraw/zinc/78/74/97/455787497.db2.gz DZRCWKULTCUHRW-HUUCEWRRSA-N 1 1 330.394 3.054 20 10 EGCDMO Cc1cc(Br)cc(C[NH2+][C@@H]2CCCc3c[nH]nc32)c1O ZINC000271856162 455788221 /nfs/dbraw/zinc/78/82/21/455788221.db2.gz UXMFRJNVOBNEEN-CYBMUJFWSA-N 1 1 336.233 3.353 20 10 EGCDMO CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000294877238 455830958 /nfs/dbraw/zinc/83/09/58/455830958.db2.gz FHUWFIRCBIETQY-RTWAWAEBSA-N 1 1 346.515 3.427 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429358 455834960 /nfs/dbraw/zinc/83/49/60/455834960.db2.gz SYSFFEBXVFNKAC-CJNGLKHVSA-N 1 1 347.377 3.316 20 10 EGCDMO CCN(CC)c1ccc(C[NH2+][C@H](c2nncn2C)C(C)C)cc1F ZINC000285388731 455835134 /nfs/dbraw/zinc/83/51/34/455835134.db2.gz DKAFRIYFXNNNDT-KRWDZBQOSA-N 1 1 333.455 3.287 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc(C(F)(F)F)cn2)c1 ZINC000295011737 455835544 /nfs/dbraw/zinc/83/55/44/455835544.db2.gz MCOPPYLXQFBBPM-SECBINFHSA-N 1 1 327.306 3.060 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@@H]3CCCC[C@H]3O)cc2)CC1 ZINC000295070027 455837663 /nfs/dbraw/zinc/83/76/63/455837663.db2.gz WFTDSXCMDPNRPZ-GHTZIAJQSA-N 1 1 346.515 3.285 20 10 EGCDMO COc1c(O)c(C[NH2+]CC2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-] ZINC000278503106 455837784 /nfs/dbraw/zinc/83/77/84/455837784.db2.gz OIEDOSMPXMQVGE-UHFFFAOYSA-N 1 1 346.358 3.270 20 10 EGCDMO COc1c(O)c(C[NH2+]CC2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278862870 455850667 /nfs/dbraw/zinc/85/06/67/455850667.db2.gz MAALSUJFFNBISA-UHFFFAOYSA-N 1 1 328.368 3.130 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278921093 455852848 /nfs/dbraw/zinc/85/28/48/455852848.db2.gz UUCKVKQTYHMGGQ-ZDUSSCGKSA-N 1 1 330.384 3.420 20 10 EGCDMO Oc1ccccc1C[N@@H+](CC[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000285611267 455881590 /nfs/dbraw/zinc/88/15/90/455881590.db2.gz MDQGYJRFQOILHX-PZJWPPBQSA-N 1 1 341.451 3.497 20 10 EGCDMO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)n[nH]1 ZINC000272474980 455963758 /nfs/dbraw/zinc/96/37/58/455963758.db2.gz AETBUJVXQRTYKF-ZDUSSCGKSA-N 1 1 331.439 3.136 20 10 EGCDMO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(N3CCCCC3)c(F)c2)[nH]1 ZINC000272474980 455963763 /nfs/dbraw/zinc/96/37/63/455963763.db2.gz AETBUJVXQRTYKF-ZDUSSCGKSA-N 1 1 331.439 3.136 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](COc3ccccc3)C1)OCO2 ZINC000272550537 455991232 /nfs/dbraw/zinc/99/12/32/455991232.db2.gz TWQXQSMUBDOBIT-AWEZNQCLSA-N 1 1 327.380 3.022 20 10 EGCDMO C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000272621795 456017292 /nfs/dbraw/zinc/01/72/92/456017292.db2.gz LYQKTNIFSJZIFQ-CHWSQXEVSA-N 1 1 338.423 3.266 20 10 EGCDMO Cc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2=O)cc1 ZINC000189088579 456222968 /nfs/dbraw/zinc/22/29/68/456222968.db2.gz VBACMGYFODPMSM-KBXCAEBGSA-N 1 1 342.414 3.291 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)c1ccc2c(c1)CC(=O)N2C ZINC000273368852 456225735 /nfs/dbraw/zinc/22/57/35/456225735.db2.gz BZBDVOZOQSAUJZ-RYUDHWBXSA-N 1 1 328.387 3.462 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCCOC3)cc2)CC1 ZINC000297484037 456232384 /nfs/dbraw/zinc/23/23/84/456232384.db2.gz LZLQFAGDXBVXSK-GOSISDBHSA-N 1 1 332.488 3.160 20 10 EGCDMO Cc1ccc([C@H](C)[NH2+]C2CCN([C@H]3CCC[C@@H]3O)CC2)c(O)c1C ZINC000273476571 456233302 /nfs/dbraw/zinc/23/33/02/456233302.db2.gz KWARFAPDXSJBKH-SNRMKQJTSA-N 1 1 332.488 3.037 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C(C)(C)O)cc2)c1 ZINC000274813385 456266142 /nfs/dbraw/zinc/26/61/42/456266142.db2.gz YMOALXTVDJBTLM-CYBMUJFWSA-N 1 1 343.423 3.257 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1O ZINC000290413031 456321123 /nfs/dbraw/zinc/32/11/23/456321123.db2.gz KEASXTNTRFNUDI-MRXNPFEDSA-N 1 1 337.423 3.415 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)c1ncnn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000276560235 456514991 /nfs/dbraw/zinc/51/49/91/456514991.db2.gz GEVGQHCWFITVPD-KGLIPLIRSA-N 1 1 331.439 3.356 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)NCc2cccs2)C2CC2)cc1 ZINC000298715684 456524651 /nfs/dbraw/zinc/52/46/51/456524651.db2.gz LXARMOMHACUFIZ-UHFFFAOYSA-N 1 1 343.496 3.095 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277415650 456817507 /nfs/dbraw/zinc/81/75/07/456817507.db2.gz GUYUPFBGISIEGO-GOSISDBHSA-N 1 1 345.487 3.331 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000352126996 457340247 /nfs/dbraw/zinc/34/02/47/457340247.db2.gz ZWBCVVUBSAZYOD-HXUWFJFHSA-N 1 1 335.451 3.406 20 10 EGCDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000378518440 457407023 /nfs/dbraw/zinc/40/70/23/457407023.db2.gz JMMRNGLXAGIQDM-UHFFFAOYSA-N 1 1 325.391 3.393 20 10 EGCDMO COc1ccc(N2CCC([NH2+]C3CCN(CC(C)C)CC3)CC2)cc1 ZINC000370676146 457697948 /nfs/dbraw/zinc/69/79/48/457697948.db2.gz IIJRCOZFWMMYGI-UHFFFAOYSA-N 1 1 345.531 3.374 20 10 EGCDMO Cc1[nH+]ccn1-c1ccc(NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000371435272 457929359 /nfs/dbraw/zinc/92/93/59/457929359.db2.gz BAIOEJXCAFCHHS-UHFFFAOYSA-N 1 1 349.438 3.024 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3nccn3C)C2)cc1F ZINC000367710143 457974534 /nfs/dbraw/zinc/97/45/34/457974534.db2.gz YMBOXWXPWQESOR-MRXNPFEDSA-N 1 1 330.451 3.395 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377707946 458512660 /nfs/dbraw/zinc/51/26/60/458512660.db2.gz WKGJRJDQJHUILF-VQTJNVASSA-N 1 1 330.472 3.057 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000377707946 458512664 /nfs/dbraw/zinc/51/26/64/458512664.db2.gz WKGJRJDQJHUILF-VQTJNVASSA-N 1 1 330.472 3.057 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000529666539 459833389 /nfs/dbraw/zinc/83/33/89/459833389.db2.gz UMTMYRMYWMLKBF-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1 ZINC000529666539 459833391 /nfs/dbraw/zinc/83/33/91/459833391.db2.gz UMTMYRMYWMLKBF-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO Cc1ccccc1[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000365570479 547777559 /nfs/dbraw/zinc/77/75/59/547777559.db2.gz VUVIZFTWIZGDPG-IBGZPJMESA-N 1 1 327.380 3.003 20 10 EGCDMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OCO3)CCO1 ZINC000365570479 547777562 /nfs/dbraw/zinc/77/75/62/547777562.db2.gz VUVIZFTWIZGDPG-IBGZPJMESA-N 1 1 327.380 3.003 20 10 EGCDMO CC[N@H+](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000726189883 574544784 /nfs/dbraw/zinc/54/47/84/574544784.db2.gz PXWYBNKMUPFGGY-UHFFFAOYSA-N 1 1 346.475 3.159 20 10 EGCDMO CC[N@@H+](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000726189883 574544786 /nfs/dbraw/zinc/54/47/86/574544786.db2.gz PXWYBNKMUPFGGY-UHFFFAOYSA-N 1 1 346.475 3.159 20 10 EGCDMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2ccccc2O)C1 ZINC000726237805 574546885 /nfs/dbraw/zinc/54/68/85/574546885.db2.gz MVWMLQZOSJLECS-YJBOKZPZSA-N 1 1 339.439 3.027 20 10 EGCDMO CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000728604929 574761356 /nfs/dbraw/zinc/76/13/56/574761356.db2.gz LDDSBUXUQVTELQ-LJQANCHMSA-N 1 1 343.446 3.201 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000743310548 576805478 /nfs/dbraw/zinc/80/54/78/576805478.db2.gz JRZMVZOSZVQGEK-SFHVURJKSA-N 1 1 346.519 3.062 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000744444505 576828584 /nfs/dbraw/zinc/82/85/84/576828584.db2.gz PLTIIGLWERBLEP-MEBBXXQBSA-N 1 1 326.318 3.092 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccncc32)C[C@H](C(F)(F)F)O1 ZINC000744444505 576828585 /nfs/dbraw/zinc/82/85/85/576828585.db2.gz PLTIIGLWERBLEP-MEBBXXQBSA-N 1 1 326.318 3.092 20 10 EGCDMO CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613866 600718072 /nfs/dbraw/zinc/71/80/72/600718072.db2.gz UXZXZOAPNOKPKP-AWEZNQCLSA-N 1 1 342.439 3.017 20 10 EGCDMO CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613866 600718073 /nfs/dbraw/zinc/71/80/73/600718073.db2.gz UXZXZOAPNOKPKP-AWEZNQCLSA-N 1 1 342.439 3.017 20 10 EGCDMO CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829613866 600718075 /nfs/dbraw/zinc/71/80/75/600718075.db2.gz UXZXZOAPNOKPKP-AWEZNQCLSA-N 1 1 342.439 3.017 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCCC1 ZINC000826511341 608695296 /nfs/dbraw/zinc/69/52/96/608695296.db2.gz LQXYIHFACRGECA-UHFFFAOYSA-N 1 1 339.399 3.110 20 10 EGCDMO Oc1ccccc1C[N@@H+](Cc1ccc(-c2nn[nH]n2)o1)C1CCCC1 ZINC000826511341 608695298 /nfs/dbraw/zinc/69/52/98/608695298.db2.gz LQXYIHFACRGECA-UHFFFAOYSA-N 1 1 339.399 3.110 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1F ZINC000793230678 1309323033 /nfs/dbraw/zinc/32/30/33/1309323033.db2.gz HUFFXDFABDQBGU-KXBFYZLASA-N 1 1 336.451 3.052 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)cc1F ZINC000793230678 1309323042 /nfs/dbraw/zinc/32/30/42/1309323042.db2.gz HUFFXDFABDQBGU-KXBFYZLASA-N 1 1 336.451 3.052 20 10 EGCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000043862721 1291465223 /nfs/dbraw/zinc/46/52/23/1291465223.db2.gz PLGFUIPEKICBFU-QGZVFWFLSA-N 1 1 346.519 3.064 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C[C@]1(C)CO ZINC000827699614 1292356788 /nfs/dbraw/zinc/35/67/88/1292356788.db2.gz JQVMVKXNMXLOLI-IIBYNOLFSA-N 1 1 341.451 3.422 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCCN(C=O)CC2)cc1 ZINC000827868035 1292390194 /nfs/dbraw/zinc/39/01/94/1292390194.db2.gz VHLOFWXAONZKAV-UHFFFAOYSA-N 1 1 343.496 3.049 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](OC)CC3)cc2)CC1 ZINC000828774154 1292496445 /nfs/dbraw/zinc/49/64/45/1292496445.db2.gz FIZMODMZRCOLSQ-IBGZPJMESA-N 1 1 332.488 3.303 20 10 EGCDMO Cc1cc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1N1CCCCC1 ZINC000829234838 1292556800 /nfs/dbraw/zinc/55/68/00/1292556800.db2.gz VCOIDFDSRKRDTF-HJPURHCSSA-N 1 1 334.529 3.186 20 10 EGCDMO Cc1cc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)ccc1N1CCCCC1 ZINC000829234838 1292556806 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20 10 EGCDMO C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000798179504 1310311372 /nfs/dbraw/zinc/31/13/72/1310311372.db2.gz COKUUJAENOVFJP-GFCCVEGCSA-N 1 1 346.393 3.172 20 10 EGCDMO Cc1noc(C[C@@H]2CCC[N@H+](Cc3ccc(N(C)C)cc3C)C2)n1 ZINC000897576176 1310390875 /nfs/dbraw/zinc/39/08/75/1310390875.db2.gz ASHKWAYPMHNXJL-INIZCTEOSA-N 1 1 328.460 3.207 20 10 EGCDMO CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000801597858 1310971709 /nfs/dbraw/zinc/97/17/09/1310971709.db2.gz PZMZBORMWDESJY-INIZCTEOSA-N 1 1 333.428 3.230 20 10 EGCDMO CCCC[N@@H+](CCCNC(=O)C(F)(F)F)Cc1ccccc1O ZINC000801596434 1310971731 /nfs/dbraw/zinc/97/17/31/1310971731.db2.gz ZKMJTGGNXRDEPE-UHFFFAOYSA-N 1 1 332.366 3.063 20 10 EGCDMO CC(C)[N@H+](Cc1noc2c1COCC2)Cc1ccc(N(C)C)cc1 ZINC000929296797 1328559681 /nfs/dbraw/zinc/55/96/81/1328559681.db2.gz SACZKGQYFSGTNV-UHFFFAOYSA-N 1 1 329.444 3.224 20 10 EGCDMO CC(C)[N@@H+](Cc1noc2c1COCC2)Cc1ccc(N(C)C)cc1 ZINC000929296797 1328559682 /nfs/dbraw/zinc/55/96/82/1328559682.db2.gz SACZKGQYFSGTNV-UHFFFAOYSA-N 1 1 329.444 3.224 20 10 EGCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000857758809 1328594789 /nfs/dbraw/zinc/59/47/89/1328594789.db2.gz SPIHAOXSWRKUTD-IAGOWNOFSA-N 1 1 331.504 3.412 20 10 EGCDMO CCOc1ccc(C[N@H+]2CC[C@H](Oc3ccc(C)cn3)C2)c(O)c1 ZINC000858011712 1328657445 /nfs/dbraw/zinc/65/74/45/1328657445.db2.gz RDNPYYPPQLYNFB-KRWDZBQOSA-N 1 1 328.412 3.148 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000802308512 1316998484 /nfs/dbraw/zinc/99/84/84/1316998484.db2.gz DNNFABGDOBJOKK-LXTVHRRPSA-N 1 1 335.444 3.423 20 10 EGCDMO COCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802652880 1317022852 /nfs/dbraw/zinc/02/28/52/1317022852.db2.gz LMNVUUSNWUJOTC-HXUWFJFHSA-N 1 1 332.488 3.304 20 10 EGCDMO CC(=O)Nc1cccc(C[NH2+]Cc2cc(F)c(N(C)C)cc2F)c1 ZINC000858097342 1328682032 /nfs/dbraw/zinc/68/20/32/1328682032.db2.gz JKFUZLDZRHLWLQ-UHFFFAOYSA-N 1 1 333.382 3.279 20 10 EGCDMO C/C(Cl)=C\C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000901127169 1317385117 /nfs/dbraw/zinc/38/51/17/1317385117.db2.gz JUWHKUCDCSTQAM-OIOXUXFSSA-N 1 1 343.254 3.269 20 10 EGCDMO CNc1ccc(C)cc1C[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000902642632 1317601406 /nfs/dbraw/zinc/60/14/06/1317601406.db2.gz BHANHFNAMWMICR-UHFFFAOYSA-N 1 1 338.499 3.078 20 10 EGCDMO CN(C)c1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1F ZINC000808426142 1317675404 /nfs/dbraw/zinc/67/54/04/1317675404.db2.gz PPCJWNXSDDNXBT-SFHVURJKSA-N 1 1 333.426 3.423 20 10 EGCDMO Cc1noc(C)c1[C@H](C)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000903448303 1317701729 /nfs/dbraw/zinc/70/17/29/1317701729.db2.gz MWUQPDCLOXXIED-SCLBCKFNSA-N 1 1 330.476 3.311 20 10 EGCDMO Cc1nc([C@H](C)[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cs1 ZINC000903449653 1317702402 /nfs/dbraw/zinc/70/24/02/1317702402.db2.gz ZAIDLLBOTPIAHF-SCLBCKFNSA-N 1 1 332.517 3.471 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+](CC2CCC2)[C@@H](C)CO)c1O ZINC000809664417 1317859584 /nfs/dbraw/zinc/85/95/84/1317859584.db2.gz FJGYIVJMXOSBPI-LBPRGKRZSA-N 1 1 342.277 3.446 20 10 EGCDMO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1cccc(Br)c1O ZINC000809703358 1317869250 /nfs/dbraw/zinc/86/92/50/1317869250.db2.gz JJNGGTZFGUETAX-TZMCWYRMSA-N 1 1 339.277 3.213 20 10 EGCDMO CCC[N@H+](CC)C[C@H](C)NCc1cc(Br)ccc1O ZINC000810180610 1317970365 /nfs/dbraw/zinc/97/03/65/1317970365.db2.gz DGZBHRYVLBSHSS-LBPRGKRZSA-N 1 1 329.282 3.365 20 10 EGCDMO CCC[N@@H+](CC)C[C@H](C)NCc1cc(Br)ccc1O ZINC000810180610 1317970370 /nfs/dbraw/zinc/97/03/70/1317970370.db2.gz DGZBHRYVLBSHSS-LBPRGKRZSA-N 1 1 329.282 3.365 20 10 EGCDMO CC[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810239482 1317983836 /nfs/dbraw/zinc/98/38/36/1317983836.db2.gz VKLTUCIITOVGRG-AWEZNQCLSA-N 1 1 334.382 3.030 20 10 EGCDMO CCc1onc(C)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000929972778 1328753629 /nfs/dbraw/zinc/75/36/29/1328753629.db2.gz VGYQLCHCZSPQEG-INIZCTEOSA-N 1 1 330.428 3.432 20 10 EGCDMO CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000811905717 1318288394 /nfs/dbraw/zinc/28/83/94/1318288394.db2.gz JDGUDGFTRNCKLC-CVEARBPZSA-N 1 1 334.508 3.233 20 10 EGCDMO O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1=CC(=O)CS1 ZINC000812369942 1318378368 /nfs/dbraw/zinc/37/83/68/1318378368.db2.gz SVPVHKRTXGVZGH-INIZCTEOSA-N 1 1 344.480 3.486 20 10 EGCDMO C[NH+]1CCC(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CC1 ZINC000813684576 1318619239 /nfs/dbraw/zinc/61/92/39/1318619239.db2.gz KQQZDCWMFUTTNO-UHFFFAOYSA-N 1 1 331.243 3.047 20 10 EGCDMO CCC[N@@H+](CC(N)=O)Cc1ccc(N(CC)Cc2ccccc2)cc1 ZINC000814177673 1318690180 /nfs/dbraw/zinc/69/01/80/1318690180.db2.gz LNFVXRTYNCMBMQ-UHFFFAOYSA-N 1 1 339.483 3.410 20 10 EGCDMO CN(C)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C(F)(F)F)c1 ZINC000814178601 1318692349 /nfs/dbraw/zinc/69/23/49/1318692349.db2.gz WMVOFQBFWZXCAH-KRWDZBQOSA-N 1 1 341.421 3.299 20 10 EGCDMO CCOC(=O)c1csc(C[NH2+][C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000814631682 1318789471 /nfs/dbraw/zinc/78/94/71/1318789471.db2.gz KDSYYUXGJMYYDJ-GFCCVEGCSA-N 1 1 333.457 3.237 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@](C(=O)OC)(C(F)(F)F)C2)cc1 ZINC000815116336 1318897875 /nfs/dbraw/zinc/89/78/75/1318897875.db2.gz JMIZGELLTVLYCD-INIZCTEOSA-N 1 1 344.377 3.070 20 10 EGCDMO COC(=O)N1CCC([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000815565577 1319016342 /nfs/dbraw/zinc/01/63/42/1319016342.db2.gz SZTGKJRZKDYASK-SNVBAGLBSA-N 1 1 346.349 3.292 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1cccc(C(F)(F)F)c1O ZINC000815570985 1319017203 /nfs/dbraw/zinc/01/72/03/1319017203.db2.gz QOCHHSIPQVFVOE-WDEREUQCSA-N 1 1 325.334 3.483 20 10 EGCDMO C[C@@H]([NH2+]CCCN1CCCCC1=O)c1cccc(C(F)(F)F)c1O ZINC000815577165 1319019966 /nfs/dbraw/zinc/01/99/66/1319019966.db2.gz IHWRGWFYLRNMKW-GFCCVEGCSA-N 1 1 344.377 3.464 20 10 EGCDMO C[C@@H](C[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1O)CN1CCOCC1 ZINC000815582393 1319021145 /nfs/dbraw/zinc/02/11/45/1319021145.db2.gz FGUGSOVUOCRKRY-STQMWFEESA-N 1 1 346.393 3.030 20 10 EGCDMO C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cccc(C(F)(F)F)c1O ZINC000815599432 1319023711 /nfs/dbraw/zinc/02/37/11/1319023711.db2.gz SYDXLMLNFNNYHH-HTQZYQBOSA-N 1 1 331.256 3.375 20 10 EGCDMO C[C@H]([NH2+][C@H](CCO)C1CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000815616344 1319028483 /nfs/dbraw/zinc/02/84/83/1319028483.db2.gz MAYJTRIDHWUBFZ-XHDPSFHLSA-N 1 1 347.377 3.239 20 10 EGCDMO CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816482364 1319162832 /nfs/dbraw/zinc/16/28/32/1319162832.db2.gz CUSWQNSHBOOIEG-UHFFFAOYSA-N 1 1 336.794 3.176 20 10 EGCDMO CNC(=O)c1ccc(C[N@@H+](C)Cc2cc(Cl)c(F)cc2O)cc1 ZINC000816482364 1319162836 /nfs/dbraw/zinc/16/28/36/1319162836.db2.gz CUSWQNSHBOOIEG-UHFFFAOYSA-N 1 1 336.794 3.176 20 10 EGCDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816487116 1319164614 /nfs/dbraw/zinc/16/46/14/1319164614.db2.gz DDFJKQWJKBYDGV-SFHVURJKSA-N 1 1 338.451 3.284 20 10 EGCDMO CCOC(=O)CC[N@@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC000816496978 1319166122 /nfs/dbraw/zinc/16/61/22/1319166122.db2.gz HMRFQFLDZSVJDA-UHFFFAOYSA-N 1 1 329.799 3.350 20 10 EGCDMO CCOC(=O)CC[N@H+](Cc1cc(Cl)c(F)cc1O)CC1CC1 ZINC000816496978 1319166128 /nfs/dbraw/zinc/16/61/28/1319166128.db2.gz HMRFQFLDZSVJDA-UHFFFAOYSA-N 1 1 329.799 3.350 20 10 EGCDMO C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc2ccccc2c1O ZINC000816511537 1319168854 /nfs/dbraw/zinc/16/88/54/1319168854.db2.gz AUOFNYHCPUBQDV-UHFFFAOYSA-N 1 1 340.448 3.355 20 10 EGCDMO COc1c(O)c(C[N@H+](C)C2CC(OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000817415989 1319355622 /nfs/dbraw/zinc/35/56/22/1319355622.db2.gz FXZMXWQGFSINLA-UHFFFAOYSA-N 1 1 338.404 3.087 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)C2CC(OC(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000817415989 1319355631 /nfs/dbraw/zinc/35/56/31/1319355631.db2.gz FXZMXWQGFSINLA-UHFFFAOYSA-N 1 1 338.404 3.087 20 10 EGCDMO C[C@H]([NH2+]CCNC(=O)CCCc1ccccc1)c1ccc(F)cc1O ZINC000818353879 1319533688 /nfs/dbraw/zinc/53/36/88/1319533688.db2.gz ZXIHTDHKMZTYRG-HNNXBMFYSA-N 1 1 344.430 3.321 20 10 EGCDMO CC[N@H+](Cc1cc(C)cc(OC)c1O)C[C@H]1COc2ccccc2O1 ZINC000915824709 1319543214 /nfs/dbraw/zinc/54/32/14/1319543214.db2.gz HFWIRMVXFUOPQV-INIZCTEOSA-N 1 1 343.423 3.371 20 10 EGCDMO COc1cc(C)cc(C[N@@H+](C)Cc2ccc3c(c2)OCCO3)c1O ZINC000915831916 1319545233 /nfs/dbraw/zinc/54/52/33/1319545233.db2.gz APMRFLOGUYVDKM-UHFFFAOYSA-N 1 1 329.396 3.112 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CC3(CCC3)[C@H]2C2CCOCC2)c1O ZINC000819902137 1319797438 /nfs/dbraw/zinc/79/74/38/1319797438.db2.gz BRZJILBGHXMLBB-LJQANCHMSA-N 1 1 331.456 3.490 20 10 EGCDMO Fc1cnc(Cl)c(C[NH2+]Cc2ccc(N3CCOCC3)cc2)c1 ZINC000824538308 1320264180 /nfs/dbraw/zinc/26/41/80/1320264180.db2.gz OCLFWPIFSWNIBR-UHFFFAOYSA-N 1 1 335.810 3.001 20 10 EGCDMO CO[C@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H]1C ZINC000824815184 1320288218 /nfs/dbraw/zinc/28/82/18/1320288218.db2.gz JJPQIBGJLZCLGP-BEFAXECRSA-N 1 1 347.459 3.442 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000824914811 1320296144 /nfs/dbraw/zinc/29/61/44/1320296144.db2.gz ZVFIYBPBTGYVLO-CYBMUJFWSA-N 1 1 328.275 3.482 20 10 EGCDMO COc1c(O)c(C[NH2+]CCc2cc(C)ccc2F)ccc1[N+](=O)[O-] ZINC000824978253 1320301578 /nfs/dbraw/zinc/30/15/78/1320301578.db2.gz UHTNGQQBQPVWKW-UHFFFAOYSA-N 1 1 334.347 3.089 20 10 EGCDMO COc1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000825934846 1320372368 /nfs/dbraw/zinc/37/23/68/1320372368.db2.gz LKCTZPRLGBWOAD-RDTXWAMCSA-N 1 1 334.504 3.470 20 10 EGCDMO COc1cc(C[N@H+]2CCC(F)(F)[C@H](CO)C2)c(O)c(C(C)(C)C)c1 ZINC000825956207 1320374713 /nfs/dbraw/zinc/37/47/13/1320374713.db2.gz ZIRNJSHQXPSPBO-ZDUSSCGKSA-N 1 1 343.414 3.148 20 10 EGCDMO Oc1cc(Br)ccc1C[N@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000826122325 1320384848 /nfs/dbraw/zinc/38/48/48/1320384848.db2.gz ZZEDJBBUCRJGHG-CVEARBPZSA-N 1 1 348.240 3.463 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](CCO)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827479637 1320456473 /nfs/dbraw/zinc/45/64/73/1320456473.db2.gz XLFHXEGFFAPPKV-UHFFFAOYSA-N 1 1 349.862 3.028 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](CCO)C(C)C)c(C)n1-c1ccc(Cl)cn1 ZINC000827479637 1320456475 /nfs/dbraw/zinc/45/64/75/1320456475.db2.gz XLFHXEGFFAPPKV-UHFFFAOYSA-N 1 1 349.862 3.028 20 10 EGCDMO CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000836946677 1320557066 /nfs/dbraw/zinc/55/70/66/1320557066.db2.gz BLJFVPXSBPDOGZ-QGZVFWFLSA-N 1 1 340.471 3.045 20 10 EGCDMO Oc1cccc(C[NH2+]Cc2ccc3c(c2)CCO3)c1Br ZINC000838921862 1320835745 /nfs/dbraw/zinc/83/57/45/1320835745.db2.gz FNMDMQZFGHQYJM-UHFFFAOYSA-N 1 1 334.213 3.379 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1O ZINC000839197944 1320893098 /nfs/dbraw/zinc/89/30/98/1320893098.db2.gz DWCOOCZUSUPPLR-ZWKOTPCHSA-N 1 1 335.419 3.107 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+]1CCc3cccc(Cl)c3C1)[C@H](O)CO2 ZINC000840158662 1321041688 /nfs/dbraw/zinc/04/16/88/1321041688.db2.gz SEWYRKIZJKEVOZ-QGZVFWFLSA-N 1 1 331.799 3.030 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCc3cccc(Cl)c3C1)[C@H](O)CO2 ZINC000840158662 1321041692 /nfs/dbraw/zinc/04/16/92/1321041692.db2.gz SEWYRKIZJKEVOZ-QGZVFWFLSA-N 1 1 331.799 3.030 20 10 EGCDMO COC(=O)c1cnc([C@@H](C)[NH2+][C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000840747281 1321140196 /nfs/dbraw/zinc/14/01/96/1321140196.db2.gz YGLFJJNSUPPQIS-NWDGAFQWSA-N 1 1 333.457 3.408 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](CO)c1ccc(OC)cc1)c1ccc(F)cc1O ZINC000840811550 1321153985 /nfs/dbraw/zinc/15/39/85/1321153985.db2.gz ZAMCWQCVOHOKEG-KBXCAEBGSA-N 1 1 333.403 3.357 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000840909921 1321175704 /nfs/dbraw/zinc/17/57/04/1321175704.db2.gz NAPCERPMMTZSLQ-SFHVURJKSA-N 1 1 349.482 3.483 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000840994601 1321195917 /nfs/dbraw/zinc/19/59/17/1321195917.db2.gz RGSKHYFLNRRIRO-OAHLLOKOSA-N 1 1 344.459 3.288 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(C)no2)cc1 ZINC000840994601 1321195922 /nfs/dbraw/zinc/19/59/22/1321195922.db2.gz RGSKHYFLNRRIRO-OAHLLOKOSA-N 1 1 344.459 3.288 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNCc2ccc(OCC(F)F)cc2)cc1 ZINC000841041857 1321207938 /nfs/dbraw/zinc/20/79/38/1321207938.db2.gz FTEFLJGDWBWGGI-SFHVURJKSA-N 1 1 349.425 3.186 20 10 EGCDMO C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841744586 1321305472 /nfs/dbraw/zinc/30/54/72/1321305472.db2.gz QCCHELHPASTQGZ-MGPQQGTHSA-N 1 1 326.868 3.196 20 10 EGCDMO COCCCC[N@@H+](C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000841893170 1321327911 /nfs/dbraw/zinc/32/79/11/1321327911.db2.gz AYSHAYYKEIOOND-UHFFFAOYSA-N 1 1 335.448 3.444 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)C[C@]2(O)CCc3ccccc32)c1O ZINC000843421904 1321516448 /nfs/dbraw/zinc/51/64/48/1321516448.db2.gz SDRFWQGBKPZBAY-HXUWFJFHSA-N 1 1 327.424 3.057 20 10 EGCDMO C[C@H](NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000847355856 1321865448 /nfs/dbraw/zinc/86/54/48/1321865448.db2.gz IBMXFPQEBSZFFE-ZYSHUDEJSA-N 1 1 344.503 3.130 20 10 EGCDMO CCc1cccc(C[NH+]2CCC(CCCN3CCOCC3)CC2)c1O ZINC000848900083 1322036889 /nfs/dbraw/zinc/03/68/89/1322036889.db2.gz AVRWUOCJRXAUKH-UHFFFAOYSA-N 1 1 346.515 3.279 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000848930368 1322049038 /nfs/dbraw/zinc/04/90/38/1322049038.db2.gz QUOCFHSSHDSYBW-FQEVSTJZSA-N 1 1 345.531 3.220 20 10 EGCDMO COc1cc(C[NH2+][C@@H](C)c2nnc3n2CCC3)c(O)c(C(C)(C)C)c1 ZINC000850025398 1322183947 /nfs/dbraw/zinc/18/39/47/1322183947.db2.gz QGASERHEOCZIML-LBPRGKRZSA-N 1 1 344.459 3.087 20 10 EGCDMO CC(C)n1ccnc1C[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000850034826 1322186348 /nfs/dbraw/zinc/18/63/48/1322186348.db2.gz RAOLFOKGLHVZAP-UHFFFAOYSA-N 1 1 330.501 3.307 20 10 EGCDMO CC[C@H]([NH2+]CC(C)(C)[C@@]1(O)CCCOC1)c1ccc(F)cc1O ZINC000850561347 1322268071 /nfs/dbraw/zinc/26/80/71/1322268071.db2.gz JBIXXEKPKVLMBU-MAUKXSAKSA-N 1 1 325.424 3.140 20 10 EGCDMO Nc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000859593709 1329029190 /nfs/dbraw/zinc/02/91/90/1329029190.db2.gz JAWCABDHEKLLAN-SFHVURJKSA-N 1 1 343.858 3.203 20 10 EGCDMO 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FBGNNBFDBUNAAD-ZDUSSCGKSA-N 1 1 340.445 3.417 20 10 EGCDMO CCS[C@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774883904 1303871567 /nfs/dbraw/zinc/87/15/67/1303871567.db2.gz FBGNNBFDBUNAAD-ZDUSSCGKSA-N 1 1 340.445 3.417 20 10 EGCDMO COc1c(O)c(C[NH2+]C2(c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000775014874 1303889735 /nfs/dbraw/zinc/88/97/35/1303889735.db2.gz VBKRBGCRGTYSCO-UHFFFAOYSA-N 1 1 332.331 3.227 20 10 EGCDMO Cc1cccn2c(C[NH2+]Cc3cccc(Br)c3O)cnc12 ZINC000775153321 1303916927 /nfs/dbraw/zinc/91/69/27/1303916927.db2.gz STUQEWGRGKGHJH-UHFFFAOYSA-N 1 1 346.228 3.401 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000775725243 1304022261 /nfs/dbraw/zinc/02/22/61/1304022261.db2.gz QVLXVTFPROXQTJ-WOJBJXKFSA-N 1 1 345.556 3.298 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3CCS[C@@H]4CCCC[C@H]43)cc2)CC1 ZINC000775725243 1304022267 /nfs/dbraw/zinc/02/22/67/1304022267.db2.gz QVLXVTFPROXQTJ-WOJBJXKFSA-N 1 1 345.556 3.298 20 10 EGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776237952 1304118553 /nfs/dbraw/zinc/11/85/53/1304118553.db2.gz KSCJLNIKHGPPCO-IPELMVKDSA-N 1 1 344.503 3.082 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)ccc1N1CCOCC1 ZINC000777438747 1304296089 /nfs/dbraw/zinc/29/60/89/1304296089.db2.gz DCGGHQOKTBSCSU-LJQANCHMSA-N 1 1 348.462 3.053 20 10 EGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000780495819 1304699965 /nfs/dbraw/zinc/69/99/65/1304699965.db2.gz RLCIFDYGNGOMSA-INIZCTEOSA-N 1 1 340.345 3.484 20 10 EGCDMO CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000783717078 1305131331 /nfs/dbraw/zinc/13/13/31/1305131331.db2.gz HFJDGOKDKNBMCV-HNNXBMFYSA-N 1 1 334.357 3.435 20 10 EGCDMO CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000783717078 1305131334 /nfs/dbraw/zinc/13/13/34/1305131334.db2.gz HFJDGOKDKNBMCV-HNNXBMFYSA-N 1 1 334.357 3.435 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCN(c3ncccc3F)CC2)c1 ZINC000783978631 1305170848 /nfs/dbraw/zinc/17/08/48/1305170848.db2.gz CGERPUKJWNUFHS-UHFFFAOYSA-N 1 1 329.419 3.255 20 10 EGCDMO Cc1cccc([C@@H]2CC[N@@H+](Cc3cc4c(cc3O)OC[C@@H]4O)C2)c1 ZINC000784026876 1305179287 /nfs/dbraw/zinc/17/92/87/1305179287.db2.gz PSJZJHQVBFXUQD-BEFAXECRSA-N 1 1 325.408 3.116 20 10 EGCDMO C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000785989160 1305487240 /nfs/dbraw/zinc/48/72/40/1305487240.db2.gz SQEQGGNJYMOJAS-UHIISALHSA-N 1 1 328.250 3.136 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000788276205 1305912545 /nfs/dbraw/zinc/91/25/45/1305912545.db2.gz SUHQHULVRHIRPB-RDTXWAMCSA-N 1 1 326.440 3.040 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000788276205 1305912553 /nfs/dbraw/zinc/91/25/53/1305912553.db2.gz SUHQHULVRHIRPB-RDTXWAMCSA-N 1 1 326.440 3.040 20 10 EGCDMO C[C@H]([NH2+]CC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1O ZINC000788639212 1305989364 /nfs/dbraw/zinc/98/93/64/1305989364.db2.gz NNVXFSRVPQZXTP-JTQLQIEISA-N 1 1 330.350 3.120 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000894046711 1306189677 /nfs/dbraw/zinc/18/96/77/1306189677.db2.gz PQADUIRFSLVAEL-UHFFFAOYSA-N 1 1 336.233 3.366 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000894093663 1306214015 /nfs/dbraw/zinc/21/40/15/1306214015.db2.gz HBLHDKNMMRIGDW-HZPDHXFCSA-N 1 1 331.412 3.390 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1O ZINC000894375275 1306366467 /nfs/dbraw/zinc/36/64/67/1306366467.db2.gz PROJQNSEXVGGQU-UHFFFAOYSA-N 1 1 348.487 3.178 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000790694098 1308853686 /nfs/dbraw/zinc/85/36/86/1308853686.db2.gz GPPLSRCFRPTJQL-LBPRGKRZSA-N 1 1 344.367 3.246 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000790977039 1308902158 /nfs/dbraw/zinc/90/21/58/1308902158.db2.gz FHEBAGQITKEQTH-NSHDSACASA-N 1 1 329.799 3.003 20 10 EGCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792830033 1309238956 /nfs/dbraw/zinc/23/89/56/1309238956.db2.gz UKYZECVTFQAODC-AWEZNQCLSA-N 1 1 344.377 3.299 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1 ZINC000795155599 1309684206 /nfs/dbraw/zinc/68/42/06/1309684206.db2.gz INYLEILKEMRXDH-UHFFFAOYSA-N 1 1 325.456 3.264 20 10 EGCDMO C[C@@H]1C[C@H](c2ccccc2)[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000795748390 1309825659 /nfs/dbraw/zinc/82/56/59/1309825659.db2.gz XIKKPXRDAMKNJG-OMWUSAIZSA-N 1 1 325.408 3.401 20 10 EGCDMO CC[C@H]([NH2+]C[C@H](O)c1cc(OC)cc(OC)c1)c1ccc(F)cc1O ZINC000796770946 1310084088 /nfs/dbraw/zinc/08/40/88/1310084088.db2.gz GIYOWNIWBFZBOH-HKUYNNGSSA-N 1 1 349.402 3.323 20 10 EGCDMO Cc1ccc(C[N@H+]2CC[C@H](CCNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC000896981680 1310118426 /nfs/dbraw/zinc/11/84/26/1310118426.db2.gz KIQBUHXTNIMZAF-HNNXBMFYSA-N 1 1 334.460 3.437 20 10 EGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cccc(C(F)(F)F)c1O ZINC000798182461 1310312834 /nfs/dbraw/zinc/31/28/34/1310312834.db2.gz IONQSFYOZMMTBS-GFCCVEGCSA-N 1 1 346.393 3.172 20 10 EGCDMO Cc1ccc(C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)c(O)c1O ZINC000799057007 1310476903 /nfs/dbraw/zinc/47/69/03/1310476903.db2.gz KIOCRQIPMGMVOD-UHFFFAOYSA-N 1 1 334.803 3.374 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c(O)cc1C ZINC000799153079 1310493592 /nfs/dbraw/zinc/49/35/92/1310493592.db2.gz BZPSQMLOSBICHP-BVPBIZIASA-N 1 1 333.472 3.471 20 10 EGCDMO OC[C@]1([NH2+]Cc2c(O)ccc(Cl)c2F)CCCc2ccccc21 ZINC000799344179 1310531204 /nfs/dbraw/zinc/53/12/04/1310531204.db2.gz SVLLFJRFBIDICT-GOSISDBHSA-N 1 1 335.806 3.498 20 10 EGCDMO CC[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000799725121 1310605885 /nfs/dbraw/zinc/60/58/85/1310605885.db2.gz CZYSWUOOFRFIAB-MRXNPFEDSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1[O-] ZINC000799725121 1310605893 /nfs/dbraw/zinc/60/58/93/1310605893.db2.gz CZYSWUOOFRFIAB-MRXNPFEDSA-N 1 1 339.911 3.112 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2F)CC1 ZINC000800970349 1310845420 /nfs/dbraw/zinc/84/54/20/1310845420.db2.gz IFOPLPALEJBVKL-SCTDSRPQSA-N 1 1 331.479 3.246 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)cc1 ZINC000823459345 1320181156 /nfs/dbraw/zinc/18/11/56/1320181156.db2.gz RSNBWCYUQOKDKU-GOSISDBHSA-N 1 1 343.496 3.047 20 10 EGCDMO CCOC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000824812991 1320287347 /nfs/dbraw/zinc/28/73/47/1320287347.db2.gz ALXDUFPRYMQPMD-GFCCVEGCSA-N 1 1 328.250 3.403 20 10 EGCDMO COc1cccc(CN2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)c1O ZINC000827177673 1320431774 /nfs/dbraw/zinc/43/17/74/1320431774.db2.gz AJYOWVCSNRTKBY-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO COc1cccc(C[N@@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)c1O ZINC000827177673 1320431778 /nfs/dbraw/zinc/43/17/78/1320431778.db2.gz AJYOWVCSNRTKBY-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO COc1cccc(C[N@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)c1O ZINC000827177673 1320431781 /nfs/dbraw/zinc/43/17/81/1320431781.db2.gz AJYOWVCSNRTKBY-LJQANCHMSA-N 1 1 340.467 3.150 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000839632330 1320948372 /nfs/dbraw/zinc/94/83/72/1320948372.db2.gz GJDFNVKWECUWJE-WMZOPIPTSA-N 1 1 329.371 3.042 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1O ZINC000839632330 1320948374 /nfs/dbraw/zinc/94/83/74/1320948374.db2.gz GJDFNVKWECUWJE-WMZOPIPTSA-N 1 1 329.371 3.042 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000857757881 1328594862 /nfs/dbraw/zinc/59/48/62/1328594862.db2.gz UIJBKXOARIVOSA-UHFFFAOYSA-N 1 1 343.515 3.269 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000857757881 1328594867 /nfs/dbraw/zinc/59/48/67/1328594867.db2.gz UIJBKXOARIVOSA-UHFFFAOYSA-N 1 1 343.515 3.269 20 10 EGCDMO CC(=O)NCC[N@@H+](Cc1ccc(C)s1)Cc1cc(C)ccc1O ZINC000802652286 1317021209 /nfs/dbraw/zinc/02/12/09/1317021209.db2.gz CGYJVVGCMLNNNQ-UHFFFAOYSA-N 1 1 332.469 3.209 20 10 EGCDMO Cc1cccc(C)c1NC(=O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087353 1328678360 /nfs/dbraw/zinc/67/83/60/1328678360.db2.gz MZIZRWBWIXLXPO-UHFFFAOYSA-N 1 1 347.409 3.376 20 10 EGCDMO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000809637467 1317853245 /nfs/dbraw/zinc/85/32/45/1317853245.db2.gz VEHWCAAEDWEFII-DYESRHJHSA-N 1 1 336.479 3.452 20 10 EGCDMO Fc1cc(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc1N1CCOCC1 ZINC000809728918 1317880663 /nfs/dbraw/zinc/88/06/63/1317880663.db2.gz LFVDEOKAHWCCRA-LJQANCHMSA-N 1 1 341.430 3.394 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2COC(=O)NC)cc1 ZINC000809779720 1317898990 /nfs/dbraw/zinc/89/89/90/1317898990.db2.gz XKHVDBVCDUDIHO-GOSISDBHSA-N 1 1 333.476 3.243 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)Cc2ccccc2N(C)C)ccc1[N+](=O)[O-] ZINC000809787846 1317901895 /nfs/dbraw/zinc/90/18/95/1317901895.db2.gz KQYJTYLBJUTISX-UHFFFAOYSA-N 1 1 345.399 3.007 20 10 EGCDMO COc1ccc(N(Cc2ccccc2)C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000809955080 1317923239 /nfs/dbraw/zinc/92/32/39/1317923239.db2.gz BUQASAXSMZGAHL-FQEVSTJZSA-N 1 1 340.467 3.157 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCc1ccccc1O3)OCO2 ZINC000811512584 1318190651 /nfs/dbraw/zinc/19/06/51/1318190651.db2.gz FSSVJGWVCDNBKL-FQEVSTJZSA-N 1 1 339.391 3.091 20 10 EGCDMO COC(=O)[C@@]1(c2ccccc2)CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000814170905 1318687229 /nfs/dbraw/zinc/68/72/29/1318687229.db2.gz DLDCKCKVNRSZTK-FQEVSTJZSA-N 1 1 325.408 3.017 20 10 EGCDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000815036869 1318871930 /nfs/dbraw/zinc/87/19/30/1318871930.db2.gz CNHRBGCRYVFEGM-UHFFFAOYSA-N 1 1 328.456 3.064 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)ccc1N(C)C ZINC000815050480 1318875274 /nfs/dbraw/zinc/87/52/74/1318875274.db2.gz BHLVIPRRRQUWFL-GOSISDBHSA-N 1 1 349.482 3.483 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)ccc1N(C)C ZINC000815050481 1318875745 /nfs/dbraw/zinc/87/57/45/1318875745.db2.gz BHLVIPRRRQUWFL-SFHVURJKSA-N 1 1 349.482 3.483 20 10 EGCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(C)c1 ZINC000815116332 1318897660 /nfs/dbraw/zinc/89/76/60/1318897660.db2.gz JIMIIKMTKLSMIE-QGZVFWFLSA-N 1 1 333.476 3.162 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000815160228 1318916684 /nfs/dbraw/zinc/91/66/84/1318916684.db2.gz UEUWZPKHNZFWSU-ABAIWWIYSA-N 1 1 328.250 3.104 20 10 EGCDMO C[N@@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1COc2ccccc2O1 ZINC000816481728 1319162476 /nfs/dbraw/zinc/16/24/76/1319162476.db2.gz GYGNULJEFBELHR-GFCCVEGCSA-N 1 1 337.778 3.457 20 10 EGCDMO C[N@H+](Cc1cc(Cl)c(F)cc1O)C[C@@H]1COc2ccccc2O1 ZINC000816481728 1319162482 /nfs/dbraw/zinc/16/24/82/1319162482.db2.gz GYGNULJEFBELHR-GFCCVEGCSA-N 1 1 337.778 3.457 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521783 1319175117 /nfs/dbraw/zinc/17/51/17/1319175117.db2.gz YPMAIRGXWPHJIO-HOJAQTOUSA-N 1 1 340.467 3.229 20 10 EGCDMO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2ccccc2c1[O-] ZINC000816521783 1319175124 /nfs/dbraw/zinc/17/51/24/1319175124.db2.gz YPMAIRGXWPHJIO-HOJAQTOUSA-N 1 1 340.467 3.229 20 10 EGCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000816557661 1319182843 /nfs/dbraw/zinc/18/28/43/1319182843.db2.gz XMTIZOHTWXPAAV-ABAIWWIYSA-N 1 1 331.840 3.329 20 10 EGCDMO C[C@H](CNC(=O)OC(C)(C)C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816570844 1319185527 /nfs/dbraw/zinc/18/55/27/1319185527.db2.gz JHNLRWVZXUDFAH-SECBINFHSA-N 1 1 332.803 3.188 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc3ccccc3c2O)C[C@@]2(CCCOC2)O1 ZINC000816597966 1319190197 /nfs/dbraw/zinc/19/01/97/1319190197.db2.gz LUVMPHIREVGNJZ-FOIQADDNSA-N 1 1 327.424 3.315 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CN[C@H]2CCCc3ccc(O)cc32)cc1 ZINC000817939448 1319468532 /nfs/dbraw/zinc/46/85/32/1319468532.db2.gz BIMHSJWDWXKLRH-PMACEKPBSA-N 1 1 325.456 3.125 20 10 EGCDMO Cc1c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cnn1C(C)(C)C ZINC000817940782 1319468921 /nfs/dbraw/zinc/46/89/21/1319468921.db2.gz HSQJJYZOLPSFDT-LIRRHRJNSA-N 1 1 343.519 3.363 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cc(Br)ccc1[O-] ZINC000817976693 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C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000883289001 1302367575 /nfs/dbraw/zinc/36/75/75/1302367575.db2.gz ASKCYEBLQDGJPS-VGOFRKELSA-N 1 1 335.495 3.462 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000883289721 1302370543 /nfs/dbraw/zinc/37/05/43/1302370543.db2.gz YEVQGALQEBTVBS-OAQYLSRUSA-N 1 1 339.458 3.355 20 10 EGCDMO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000768237300 1302863071 /nfs/dbraw/zinc/86/30/71/1302863071.db2.gz NOTSMNVQWHXGBK-HXUWFJFHSA-N 1 1 338.451 3.460 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1 ZINC000768237300 1302863076 /nfs/dbraw/zinc/86/30/76/1302863076.db2.gz NOTSMNVQWHXGBK-HXUWFJFHSA-N 1 1 338.451 3.460 20 10 EGCDMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000768247785 1302865463 /nfs/dbraw/zinc/86/54/63/1302865463.db2.gz CZRMRGKIWWIKJJ-AWEZNQCLSA-N 1 1 340.851 3.487 20 10 EGCDMO CCOc1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c(O)c1 ZINC000768438967 1302900517 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O=C1C[N@H+](Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCCC[C@H]2N1 ZINC000769192850 1303067790 /nfs/dbraw/zinc/06/77/90/1303067790.db2.gz QOEBZHBMKKDYAM-RTBURBONSA-N 1 1 336.435 3.302 20 10 EGCDMO CC(C)COC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000769225012 1303076211 /nfs/dbraw/zinc/07/62/11/1303076211.db2.gz GSUXRQRYVJKAPP-UHFFFAOYSA-N 1 1 340.851 3.346 20 10 EGCDMO CCCC[N@@H+](CCOC)Cc1cc(Br)cc(OC)c1O ZINC000769389358 1303103424 /nfs/dbraw/zinc/10/34/24/1303103424.db2.gz NHYOOTUJLUIPLT-UHFFFAOYSA-N 1 1 346.265 3.412 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c(O)c1 ZINC000769386656 1303103827 /nfs/dbraw/zinc/10/38/27/1303103827.db2.gz DLXUCHKXGKACNK-HNNXBMFYSA-N 1 1 348.487 3.165 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c1 ZINC000769423772 1303110651 /nfs/dbraw/zinc/11/06/51/1303110651.db2.gz IINHTSFVVFRLPY-HOCLYGCPSA-N 1 1 334.460 3.436 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519553 1303134878 /nfs/dbraw/zinc/13/48/78/1303134878.db2.gz RKIOEKKMSDSFLW-ZDUSSCGKSA-N 1 1 340.261 3.403 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519553 1303134880 /nfs/dbraw/zinc/13/48/80/1303134880.db2.gz RKIOEKKMSDSFLW-ZDUSSCGKSA-N 1 1 340.261 3.403 20 10 EGCDMO CCOc1ccc(O)c(CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000771926252 1303462161 /nfs/dbraw/zinc/46/21/61/1303462161.db2.gz FAALHGNZEUSQQE-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1c(O)cccc1F)c1ccc2c(c1)CC(=O)N2C ZINC000886522966 1303485634 /nfs/dbraw/zinc/48/56/34/1303485634.db2.gz ULRQUVIAUWVWJS-RYUDHWBXSA-N 1 1 328.387 3.462 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)c1c(O)cccc1F ZINC000886547639 1303495938 /nfs/dbraw/zinc/49/59/38/1303495938.db2.gz PBIRBFJOPLHAHB-SMDDNHRTSA-N 1 1 332.350 3.127 20 10 EGCDMO COc1cc(NCC[NH2+][C@H](C)c2c(O)cccc2F)cc(OC)c1 ZINC000886555488 1303499102 /nfs/dbraw/zinc/49/91/02/1303499102.db2.gz UKJCZCSNRIIMOE-GFCCVEGCSA-N 1 1 334.391 3.311 20 10 EGCDMO Cc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3c(O)cccc3F)C2=O)cc1 ZINC000886598600 1303516887 /nfs/dbraw/zinc/51/68/87/1303516887.db2.gz GCWIHFIVSUNWGJ-RHSMWYFYSA-N 1 1 342.414 3.291 20 10 EGCDMO C[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1c(O)cccc1F ZINC000886601102 1303518157 /nfs/dbraw/zinc/51/81/57/1303518157.db2.gz JUGZCBQMSVWBAK-ODYMNIRHSA-N 1 1 333.378 3.487 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000773889575 1303751724 /nfs/dbraw/zinc/75/17/24/1303751724.db2.gz XWDCSIZMWMFVNM-SFHVURJKSA-N 1 1 330.501 3.166 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)cc1 ZINC000773889575 1303751729 /nfs/dbraw/zinc/75/17/29/1303751729.db2.gz XWDCSIZMWMFVNM-SFHVURJKSA-N 1 1 330.501 3.166 20 10 EGCDMO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774913720 1303876659 /nfs/dbraw/zinc/87/66/59/1303876659.db2.gz OZUKKRWZZXSCMX-QWHCGFSZSA-N 1 1 340.445 3.415 20 10 EGCDMO CCS[C@@H]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2O)C1 ZINC000774913720 1303876662 /nfs/dbraw/zinc/87/66/62/1303876662.db2.gz OZUKKRWZZXSCMX-QWHCGFSZSA-N 1 1 340.445 3.415 20 10 EGCDMO COc1c(O)c(C[NH2+]Cc2cccc(OC(C)C)c2)ccc1[N+](=O)[O-] ZINC000774978398 1303885275 /nfs/dbraw/zinc/88/52/75/1303885275.db2.gz SSXHEXKBCJWDHU-UHFFFAOYSA-N 1 1 346.383 3.386 20 10 EGCDMO CCN(C)c1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774997022 1303887168 /nfs/dbraw/zinc/88/71/68/1303887168.db2.gz IYUOZZWAIZSMAQ-UHFFFAOYSA-N 1 1 345.399 3.055 20 10 EGCDMO CCOC(=O)[C@]1(C(C)C)CC[N@@H+](Cc2ccc(OCC)cc2O)C1 ZINC000775199778 1303923686 /nfs/dbraw/zinc/92/36/86/1303923686.db2.gz GFGFNKBADXOZCS-LJQANCHMSA-N 1 1 335.444 3.202 20 10 EGCDMO CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)c1cc(Cl)ccc1[O-] ZINC000775491708 1303972877 /nfs/dbraw/zinc/97/28/77/1303972877.db2.gz HRUGWUNHNVVDKY-KRWDZBQOSA-N 1 1 339.911 3.114 20 10 EGCDMO CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1[O-] ZINC000775511460 1303976770 /nfs/dbraw/zinc/97/67/70/1303976770.db2.gz FYPSNUJWZLJRLH-KRWDZBQOSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[N@H+](Cc1cc(Br)cc(C)c1O)C[C@@H]1CCOC1 ZINC000775654014 1304005478 /nfs/dbraw/zinc/00/54/78/1304005478.db2.gz RGTVDBBUCYETBS-LBPRGKRZSA-N 1 1 328.250 3.322 20 10 EGCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000775700196 1304018278 /nfs/dbraw/zinc/01/82/78/1304018278.db2.gz DJMLGRHKCRQPCR-AWEZNQCLSA-N 1 1 336.863 3.188 20 10 EGCDMO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000775735489 1304024087 /nfs/dbraw/zinc/02/40/87/1304024087.db2.gz PONGRZLZUCRRIH-PZJWPPBQSA-N 1 1 345.531 3.074 20 10 EGCDMO CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000775735489 1304024093 /nfs/dbraw/zinc/02/40/93/1304024093.db2.gz PONGRZLZUCRRIH-PZJWPPBQSA-N 1 1 345.531 3.074 20 10 EGCDMO C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000776249431 1304120801 /nfs/dbraw/zinc/12/08/01/1304120801.db2.gz OQWNJLAUAMIAAZ-INIZCTEOSA-N 1 1 346.519 3.329 20 10 EGCDMO CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C[C@@H]1C ZINC000776249508 1304120992 /nfs/dbraw/zinc/12/09/92/1304120992.db2.gz OWMWZEPDIMFGHQ-BXWFABGCSA-N 1 1 346.519 3.328 20 10 EGCDMO C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000776294611 1304130442 /nfs/dbraw/zinc/13/04/42/1304130442.db2.gz FTEODKQSYPLGQI-INIZCTEOSA-N 1 1 330.453 3.094 20 10 EGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000779605768 1304586971 /nfs/dbraw/zinc/58/69/71/1304586971.db2.gz YRZBKGPQSPEIQJ-CYBMUJFWSA-N 1 1 325.836 3.457 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CO)C2CCCCC2)c1O ZINC000782085807 1304914177 /nfs/dbraw/zinc/91/41/77/1304914177.db2.gz MFTBVLDDYDSAFS-INIZCTEOSA-N 1 1 325.836 3.279 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc2c1OCC2 ZINC000891523826 1305078542 /nfs/dbraw/zinc/07/85/42/1305078542.db2.gz DCFXLLFPSKTVGN-UHFFFAOYSA-N 1 1 338.451 3.090 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCC[C@@](OC)(C(F)(F)F)C2)c(O)c1 ZINC000783718096 1305131707 /nfs/dbraw/zinc/13/17/07/1305131707.db2.gz OSOINXYDMDMRGS-HNNXBMFYSA-N 1 1 333.350 3.334 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3cnc(F)cc3C)CC2)cc1 ZINC000891775472 1305161611 /nfs/dbraw/zinc/16/16/11/1305161611.db2.gz OYCUKKFOYDDVMR-UHFFFAOYSA-N 1 1 329.419 3.250 20 10 EGCDMO COc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)c(O)c1OC ZINC000891783937 1305164038 /nfs/dbraw/zinc/16/40/38/1305164038.db2.gz PMSPFDSNCWTKCT-SFHVURJKSA-N 1 1 343.423 3.155 20 10 EGCDMO COC1CCN(CC[NH2+][C@@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788624953 1305985699 /nfs/dbraw/zinc/98/56/99/1305985699.db2.gz IKOWNPCZTTTYGP-LBPRGKRZSA-N 1 1 346.393 3.172 20 10 EGCDMO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1O ZINC000788688435 1305998570 /nfs/dbraw/zinc/99/85/70/1305998570.db2.gz SQQKHTUSRKVINS-LLVKDONJSA-N 1 1 332.366 3.224 20 10 EGCDMO C[N@H+](Cc1cc(Br)cc(F)c1O)CC1(O)CCCC1 ZINC000894034260 1306185141 /nfs/dbraw/zinc/18/51/41/1306185141.db2.gz NQKTWMWXSJMGIV-UHFFFAOYSA-N 1 1 332.213 3.031 20 10 EGCDMO C[N@@H+](Cc1cc(Br)cc(F)c1O)CC1(O)CCCC1 ZINC000894034260 1306185145 /nfs/dbraw/zinc/18/51/45/1306185145.db2.gz NQKTWMWXSJMGIV-UHFFFAOYSA-N 1 1 332.213 3.031 20 10 EGCDMO C/C=C(\CC)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000789816360 1306219745 /nfs/dbraw/zinc/21/97/45/1306219745.db2.gz LPVDEZWAGUSCQN-JORANLSZSA-N 1 1 336.863 3.483 20 10 EGCDMO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000790935479 1308891088 /nfs/dbraw/zinc/89/10/88/1308891088.db2.gz WUBATPUFPHQIAR-YPMHNXCESA-N 1 1 328.250 3.280 20 10 EGCDMO C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000790935479 1308891095 /nfs/dbraw/zinc/89/10/95/1308891095.db2.gz WUBATPUFPHQIAR-YPMHNXCESA-N 1 1 328.250 3.280 20 10 EGCDMO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1O ZINC000790935477 1308891902 /nfs/dbraw/zinc/89/19/02/1308891902.db2.gz WUBATPUFPHQIAR-DGCLKSJQSA-N 1 1 328.250 3.280 20 10 EGCDMO C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1cccc(Br)c1O ZINC000790935477 1308891913 /nfs/dbraw/zinc/89/19/13/1308891913.db2.gz WUBATPUFPHQIAR-DGCLKSJQSA-N 1 1 328.250 3.280 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+]CCN1CCc2ccccc2C1 ZINC000790950410 1308892764 /nfs/dbraw/zinc/89/27/64/1308892764.db2.gz ZJDXBTXGJAIHTL-UHFFFAOYSA-N 1 1 334.822 3.333 20 10 EGCDMO CCc1nocc1C[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894863385 1309105815 /nfs/dbraw/zinc/10/58/15/1309105815.db2.gz ASVHCSFRTHOQFZ-UHFFFAOYSA-N 1 1 343.196 3.476 20 10 EGCDMO CCc1nocc1CN(C)Cc1cc(Br)cc(F)c1[O-] ZINC000894863385 1309105818 /nfs/dbraw/zinc/10/58/18/1309105818.db2.gz ASVHCSFRTHOQFZ-UHFFFAOYSA-N 1 1 343.196 3.476 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3nnc(C)[nH]3)C2)cc1F ZINC000895006735 1309154242 /nfs/dbraw/zinc/15/42/42/1309154242.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)cc1F ZINC000895006735 1309154247 /nfs/dbraw/zinc/15/42/47/1309154247.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3nc(C)n[nH]3)C2)cc1F ZINC000895006735 1309154252 /nfs/dbraw/zinc/15/42/52/1309154252.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1F ZINC000895006735 1309154255 /nfs/dbraw/zinc/15/42/55/1309154255.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 1 331.439 3.088 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](c3n[nH]c(C)n3)C2)cc1F ZINC000895006735 1309154259 /nfs/dbraw/zinc/15/42/59/1309154259.db2.gz CMGRUKKKQYBOPX-OAHLLOKOSA-N 1 1 331.439 3.088 20 10 EGCDMO CN(C)c1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792920533 1309261285 /nfs/dbraw/zinc/26/12/85/1309261285.db2.gz ZDNSLOUOIOTXNZ-HOCLYGCPSA-N 1 1 341.421 3.488 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](CO)(C(F)(F)F)C2)cc1 ZINC000895845146 1309554267 /nfs/dbraw/zinc/55/42/67/1309554267.db2.gz NTYBWZNWFWPGCH-INIZCTEOSA-N 1 1 330.394 3.280 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000795705546 1309813526 /nfs/dbraw/zinc/81/35/26/1309813526.db2.gz YQVYLVZVLJLMIR-SJLPKXTDSA-N 1 1 346.515 3.293 20 10 EGCDMO CCn1cnnc1C[NH2+]Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000796264170 1309946885 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COc1cc(CN2CCC[N@H+]3CCC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC001319573484 1386185958 /nfs/dbraw/zinc/18/59/58/1386185958.db2.gz RLZYPXWYIBGMST-MRXNPFEDSA-N 1 1 332.488 3.368 20 10 EGCDMO CCC[N@H+]1CCCC[C@H]1C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001319716547 1386266579 /nfs/dbraw/zinc/26/65/79/1386266579.db2.gz HQVXOKCYFAPCFM-IBGZPJMESA-N 1 1 331.504 3.366 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCCO[C@H](C)C1 ZINC001320760447 1386710822 /nfs/dbraw/zinc/71/08/22/1386710822.db2.gz VYDJZMBFZOGGML-BRWVUGGUSA-N 1 1 332.488 3.339 20 10 EGCDMO COc1c(O)c(C[N@@H+](C)Cc2cc3ccccc3[nH]2)ccc1[N+](=O)[O-] ZINC001320899356 1386751171 /nfs/dbraw/zinc/75/11/71/1386751171.db2.gz INRDNASYAGAGHD-UHFFFAOYSA-N 1 1 341.367 3.422 20 10 EGCDMO OC[C@@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CC[C@@H]1C(F)(F)F ZINC001329791021 1389225555 /nfs/dbraw/zinc/22/55/55/1389225555.db2.gz GGSZWIIRBMJYOV-RDJZCZTQSA-N 1 1 342.405 3.280 20 10 EGCDMO CCOc1ccc(C[N@@H+](C)Cc2cc3c(cc2O)OCO3)cc1OC ZINC000005067502 210382267 /nfs/dbraw/zinc/38/22/67/210382267.db2.gz RKYNMIKYIOAFST-UHFFFAOYSA-N 1 1 345.395 3.160 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccccc1F)C[C@@H]1CCCO1 ZINC000264730246 455271704 /nfs/dbraw/zinc/27/17/04/455271704.db2.gz QWOJCCYEAYPPHI-JXFKEZNVSA-N 1 1 345.414 3.246 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000264741227 455274232 /nfs/dbraw/zinc/27/42/32/455274232.db2.gz UATRPMUFHKBMBB-UYAOXDASSA-N 1 1 345.414 3.246 20 10 EGCDMO COc1cc(Cl)cc(C[NH+]2CCN(c3ccccc3O)CC2)c1O ZINC000184672255 455424731 /nfs/dbraw/zinc/42/47/31/455424731.db2.gz RIPUJDQVEMPXQV-UHFFFAOYSA-N 1 1 348.830 3.082 20 10 EGCDMO CC[C@@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccc(N(C)C)cc1 ZINC000132968540 454381879 /nfs/dbraw/zinc/38/18/79/454381879.db2.gz AVTVETHSZXOEBV-LAUBAEHRSA-N 1 1 345.531 3.294 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1nccs1 ZINC000093400553 454712500 /nfs/dbraw/zinc/71/25/00/454712500.db2.gz HKPAOQGIKLSHEI-CQSZACIVSA-N 1 1 331.485 3.203 20 10 EGCDMO CCCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(OC)cc2)c(O)c1 ZINC000093415682 454714166 /nfs/dbraw/zinc/71/41/66/454714166.db2.gz HWRITQKBKPXMOM-IBGZPJMESA-N 1 1 345.439 3.355 20 10 EGCDMO COc1cccc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1O ZINC000154291185 454881759 /nfs/dbraw/zinc/88/17/59/454881759.db2.gz VJIZHPSDHGSXQB-UHFFFAOYSA-N 1 1 328.368 3.474 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+](C[C@H]2CCOC2)C2CC2)c1O ZINC000179678405 455066333 /nfs/dbraw/zinc/06/63/33/455066333.db2.gz PLYGXTRAMHKABG-GFCCVEGCSA-N 1 1 340.261 3.464 20 10 EGCDMO C[N@@H+](Cc1cnc2cnccn12)Cc1ccc(N2CCCCC2)cc1 ZINC000156479649 455123854 /nfs/dbraw/zinc/12/38/54/455123854.db2.gz YGRBSAZJGZWORY-UHFFFAOYSA-N 1 1 335.455 3.352 20 10 EGCDMO COC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000180198540 455147403 /nfs/dbraw/zinc/14/74/03/455147403.db2.gz FHPJCZAWNSGJKN-GFCCVEGCSA-N 1 1 328.250 3.322 20 10 EGCDMO Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(F)cc2O)N2CCOCC2)o1 ZINC000184909397 455470198 /nfs/dbraw/zinc/47/01/98/455470198.db2.gz PAHXMXXRONCXSL-RHSMWYFYSA-N 1 1 348.418 3.157 20 10 EGCDMO COc1ccc([C@@H](C[NH+](C)C)NCc2ccc(OC)c(C)c2)cc1 ZINC000283968344 455617707 /nfs/dbraw/zinc/61/77/07/455617707.db2.gz KYEGOWUJFRHDEZ-LJQANCHMSA-N 1 1 328.456 3.405 20 10 EGCDMO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O)CC2 ZINC000192808736 455699223 /nfs/dbraw/zinc/69/92/23/455699223.db2.gz WQRZUUTYTLOPDL-WPRPVWTQSA-N 1 1 341.242 3.265 20 10 EGCDMO C[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)c(Cl)cc1O ZINC000192863829 455708338 /nfs/dbraw/zinc/70/83/38/455708338.db2.gz VFTCRPOZTBPDQI-LLVKDONJSA-N 1 1 347.286 3.460 20 10 EGCDMO C[C@@H]1CN(c2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841061 455715158 /nfs/dbraw/zinc/71/51/58/455715158.db2.gz HTWBEPXUXMJKKR-BVIKNXMNSA-N 1 1 349.494 3.012 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2F)C[C@@H](C)O1 ZINC000268841061 455715163 /nfs/dbraw/zinc/71/51/63/455715163.db2.gz HTWBEPXUXMJKKR-BVIKNXMNSA-N 1 1 349.494 3.012 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@]3(C2)OCc2ccccc23)c1O ZINC000186449073 455771696 /nfs/dbraw/zinc/77/16/96/455771696.db2.gz BRVFXJMHGDTWOB-HXUWFJFHSA-N 1 1 325.408 3.422 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCSC3(CCOCC3)C2)c(O)c1 ZINC000186481290 455777846 /nfs/dbraw/zinc/77/78/46/455777846.db2.gz VPKLJFVQANZJJJ-UHFFFAOYSA-N 1 1 337.485 3.279 20 10 EGCDMO C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1ccc(F)cc1O ZINC000293762843 455797478 /nfs/dbraw/zinc/79/74/78/455797478.db2.gz RLIIPOMXFBOZNL-AWEZNQCLSA-N 1 1 330.403 3.219 20 10 EGCDMO CCN(C)C(=O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000272038522 455828837 /nfs/dbraw/zinc/82/88/37/455828837.db2.gz OHLBKZZEBKNXGC-INIZCTEOSA-N 1 1 326.440 3.434 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c(O)c1 ZINC000278429368 455835370 /nfs/dbraw/zinc/83/53/70/455835370.db2.gz SYSFFEBXVFNKAC-XJKSGUPXSA-N 1 1 347.377 3.316 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@@H](C)OC(C)(C)C3)cc2)CC1 ZINC000295417418 455848613 /nfs/dbraw/zinc/84/86/13/455848613.db2.gz DSHRZCHWEDTRBF-MRXNPFEDSA-N 1 1 332.488 3.301 20 10 EGCDMO Cc1nn(C)c(Cl)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269640205 455851462 /nfs/dbraw/zinc/85/14/62/455851462.db2.gz NXYOVRAVJCGIJM-HNNXBMFYSA-N 1 1 349.862 3.269 20 10 EGCDMO Cc1nn(C)c(Cl)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269640205 455851467 /nfs/dbraw/zinc/85/14/67/455851467.db2.gz NXYOVRAVJCGIJM-HNNXBMFYSA-N 1 1 349.862 3.269 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)ccc1N(C)C ZINC000295572820 455853809 /nfs/dbraw/zinc/85/38/09/455853809.db2.gz LNRXMBJBZLFECX-QGZVFWFLSA-N 1 1 331.504 3.175 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCCC[C@@H]3C[C@H](C)O)cc2)CC1 ZINC000295977486 455865611 /nfs/dbraw/zinc/86/56/11/455865611.db2.gz KXBPOTDIUWZVMH-FXAWDEMLSA-N 1 1 346.515 3.427 20 10 EGCDMO CC[C@H]([NH2+]C1CCN([C@H]2CCC[C@@H]2O)CC1)c1ccc(C)cc1O ZINC000280056219 455882591 /nfs/dbraw/zinc/88/25/91/455882591.db2.gz JZCYJVRNVPPXTP-FHWLQOOXSA-N 1 1 332.488 3.119 20 10 EGCDMO CC[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000285730529 455905543 /nfs/dbraw/zinc/90/55/43/455905543.db2.gz QPFWIAWGLUYFEH-RISCZKNCSA-N 1 1 334.357 3.456 20 10 EGCDMO OC1CCN(c2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2F)CC1 ZINC000270593704 455991209 /nfs/dbraw/zinc/99/12/09/455991209.db2.gz UAABVDVGANFHIS-UHFFFAOYSA-N 1 1 340.402 3.275 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCc2cccc(C)n2)c1 ZINC000287284260 456065533 /nfs/dbraw/zinc/06/55/33/456065533.db2.gz CYIBKRKIOCZLJK-CQSZACIVSA-N 1 1 328.412 3.166 20 10 EGCDMO Cc1nc(NCc2ccc(N3CCC(CO)CC3)cc2)c(C)c(C)[nH+]1 ZINC000301449041 456118559 /nfs/dbraw/zinc/11/85/59/456118559.db2.gz RWNLGOHDHCUOSI-UHFFFAOYSA-N 1 1 340.471 3.223 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1cc(Cl)c(Cl)cc1O ZINC000297302644 456179348 /nfs/dbraw/zinc/17/93/48/456179348.db2.gz MJUBBZXQQAWRDL-NEPJUHHUSA-N 1 1 347.286 3.196 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCC[C@@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970684 456200068 /nfs/dbraw/zinc/20/00/68/456200068.db2.gz ZBHSUZSAHKQBFA-CQSZACIVSA-N 1 1 329.356 3.041 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2Cc3ccccc3O[C@@H](C)C2)cc1OC ZINC000292160545 456873070 /nfs/dbraw/zinc/87/30/70/456873070.db2.gz WDKKBVUKEDKCOO-ZDUSSCGKSA-N 1 1 329.396 3.193 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)c1 ZINC000378436699 457395693 /nfs/dbraw/zinc/39/56/93/457395693.db2.gz CWUWPDFZORJPJJ-ICSRJNTNSA-N 1 1 327.424 3.489 20 10 EGCDMO COc1ccc(O)c(C[NH2+]C[C@@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC000374176584 457509880 /nfs/dbraw/zinc/50/98/80/457509880.db2.gz MOQFXHIERMKZTG-OAQYLSRUSA-N 1 1 340.467 3.403 20 10 EGCDMO CCOc1cccc(C[N@H+]2CC[C@@](O)(c3ccc(F)cc3)C2)c1O ZINC000375039273 457766546 /nfs/dbraw/zinc/76/65/46/457766546.db2.gz MPKFCVXPMLTEEW-IBGZPJMESA-N 1 1 331.387 3.024 20 10 EGCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000375096853 457789165 /nfs/dbraw/zinc/78/91/65/457789165.db2.gz MOPYWPHYRSIREF-LBPRGKRZSA-N 1 1 328.250 3.403 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](Oc3ccccc3)C2)cc1OC ZINC000367221857 457933809 /nfs/dbraw/zinc/93/38/09/457933809.db2.gz SOQMJYOCNPTMGX-MRXNPFEDSA-N 1 1 329.396 3.063 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CC[C@H](Oc3ccccc3)C2)cc1OC ZINC000367221856 457934269 /nfs/dbraw/zinc/93/42/69/457934269.db2.gz SOQMJYOCNPTMGX-INIZCTEOSA-N 1 1 329.396 3.063 20 10 EGCDMO Cc1ccc2nc(C[NH2+]Cc3cccc(Br)c3O)cn2c1 ZINC000729680834 574878131 /nfs/dbraw/zinc/87/81/31/574878131.db2.gz BLWXECYHOQBAQZ-UHFFFAOYSA-N 1 1 346.228 3.401 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCC[C@@H](n3ccnc3)C2)c1 ZINC000738159287 574884627 /nfs/dbraw/zinc/88/46/27/574884627.db2.gz RRDLKIRNCBQTAN-MRXNPFEDSA-N 1 1 329.444 3.429 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000731024961 575045588 /nfs/dbraw/zinc/04/55/88/575045588.db2.gz GOYQIBUPIQKSAT-GOSISDBHSA-N 1 1 339.483 3.474 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000731123378 575056013 /nfs/dbraw/zinc/05/60/13/575056013.db2.gz DNWVYGUQNLVGAL-SFHVURJKSA-N 1 1 346.519 3.016 20 10 EGCDMO Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756511282 576151312 /nfs/dbraw/zinc/15/13/12/576151312.db2.gz UXOWDAVQIAOYRT-SECBINFHSA-N 1 1 342.212 3.150 20 10 EGCDMO Oc1cc2c(cc1CN1CCC[N@@H+](CC3CCCCC3)CC1)OCO2 ZINC000738036583 576282290 /nfs/dbraw/zinc/28/22/90/576282290.db2.gz LPULJYQUPVKMOW-UHFFFAOYSA-N 1 1 346.471 3.209 20 10 EGCDMO C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000691390554 1298134308 /nfs/dbraw/zinc/13/43/08/1298134308.db2.gz GMAAISLSUNDFEZ-UHFFFAOYSA-N 1 1 329.282 3.365 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000769404737 1303108752 /nfs/dbraw/zinc/10/87/52/1303108752.db2.gz ORMBUXAMOMQBEB-LJQANCHMSA-N 1 1 343.515 3.367 20 10 EGCDMO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](C(N)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000054543949 1291756436 /nfs/dbraw/zinc/75/64/36/1291756436.db2.gz FLCDIZQONOEXSV-CYBMUJFWSA-N 1 1 332.488 3.294 20 10 EGCDMO Cc1csc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000069168154 1292234152 /nfs/dbraw/zinc/23/41/52/1292234152.db2.gz KQSKDWVECSOBOG-ZDUSSCGKSA-N 1 1 335.448 3.278 20 10 EGCDMO C[N@@H+](CCc1c(F)cccc1F)Cc1ccc(N2CCOCC2)cc1 ZINC000827719583 1292359865 /nfs/dbraw/zinc/35/98/65/1292359865.db2.gz MFVNNJKKTNRVAU-UHFFFAOYSA-N 1 1 346.421 3.476 20 10 EGCDMO COC[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)C[C@H](C)O1 ZINC000829113500 1292542788 /nfs/dbraw/zinc/54/27/88/1292542788.db2.gz JJQRRGFWNQMHJG-HKUYNNGSSA-N 1 1 332.488 3.221 20 10 EGCDMO COCC(C)(C)[N@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830008828 1292653085 /nfs/dbraw/zinc/65/30/85/1292653085.db2.gz IYEBQWKNFLBWTE-UHFFFAOYSA-N 1 1 347.434 3.168 20 10 EGCDMO COCC(C)(C)[N@@H+](C)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000830008828 1292653095 /nfs/dbraw/zinc/65/30/95/1292653095.db2.gz IYEBQWKNFLBWTE-UHFFFAOYSA-N 1 1 347.434 3.168 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3C[C@H](C)OC4(CCC4)C3)cc2)CC1 ZINC000830740050 1292761037 /nfs/dbraw/zinc/76/10/37/1292761037.db2.gz NNCJHVLZZNLKNR-KRWDZBQOSA-N 1 1 344.499 3.445 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)cc1 ZINC000093278862 1292913066 /nfs/dbraw/zinc/91/30/66/1292913066.db2.gz JIFDUFCVTFSYQF-IBGZPJMESA-N 1 1 329.488 3.120 20 10 EGCDMO CSc1ccc([C@H](CNC(=O)C2=CC(=O)CS2)[NH+](C)C)cc1 ZINC000832932871 1293052923 /nfs/dbraw/zinc/05/29/23/1293052923.db2.gz CAWVWCCVIHPNBU-AWEZNQCLSA-N 1 1 336.482 3.208 20 10 EGCDMO C[C@H]([NH2+][C@H]1C[C@@H](C)n2ccnc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000834895933 1293167185 /nfs/dbraw/zinc/16/71/85/1293167185.db2.gz FLFAKLQHXMFUER-KEYYUXOJSA-N 1 1 344.434 3.215 20 10 EGCDMO O=C(CC1CCC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000134259432 1293768653 /nfs/dbraw/zinc/76/86/53/1293768653.db2.gz BXKRJTFERMRWGA-INIZCTEOSA-N 1 1 336.863 3.316 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000151172062 1293911074 /nfs/dbraw/zinc/91/10/74/1293911074.db2.gz LWGVGFGCIUYTLI-HNNXBMFYSA-N 1 1 331.485 3.322 20 10 EGCDMO CC(C)C(=O)N1CCC[N@@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CC1 ZINC000151932576 1293945427 /nfs/dbraw/zinc/94/54/27/1293945427.db2.gz YPEQGBNMRVZZQO-UHFFFAOYSA-N 1 1 348.487 3.086 20 10 EGCDMO O=[N+]([O-])c1ccccc1C[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000154319177 1294051184 /nfs/dbraw/zinc/05/11/84/1294051184.db2.gz RCZKMQQZFBENCK-UHFFFAOYSA-N 1 1 342.351 3.194 20 10 EGCDMO O=[N+]([O-])c1ccccc1C[N@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000154319177 1294051192 /nfs/dbraw/zinc/05/11/92/1294051192.db2.gz RCZKMQQZFBENCK-UHFFFAOYSA-N 1 1 342.351 3.194 20 10 EGCDMO CCC[N@@H+](CC)CCN[C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156823120 1294160524 /nfs/dbraw/zinc/16/05/24/1294160524.db2.gz LFVWQBFVWGMFPI-MRXNPFEDSA-N 1 1 337.483 3.045 20 10 EGCDMO CCCN(CC)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156823120 1294160525 /nfs/dbraw/zinc/16/05/25/1294160525.db2.gz LFVWQBFVWGMFPI-MRXNPFEDSA-N 1 1 337.483 3.045 20 10 EGCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160102772 1294258060 /nfs/dbraw/zinc/25/80/60/1294258060.db2.gz JJWLTBXDKHTKPD-INIZCTEOSA-N 1 1 344.499 3.399 20 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/nfs/dbraw/zinc/23/95/41/1376239541.db2.gz KXWQVDAAMGTTFU-UHFFFAOYSA-N 1 1 339.439 3.100 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)c1O ZINC001231593030 1376273116 /nfs/dbraw/zinc/27/31/16/1376273116.db2.gz XEWOADKCFVVFSW-HZPDHXFCSA-N 1 1 332.444 3.142 20 10 EGCDMO Cc1cccc(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1O ZINC001231593313 1376273353 /nfs/dbraw/zinc/27/33/53/1376273353.db2.gz PGSWEBVOTPKVPF-UYAOXDASSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cccc(C[N@@H+]2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1O ZINC001231593313 1376273356 /nfs/dbraw/zinc/27/33/56/1376273356.db2.gz PGSWEBVOTPKVPF-UYAOXDASSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cccc(C[N@H+]2CCN3C[C@H](Oc4ccccc4)C[C@@H]3C2)c1O ZINC001231593313 1376273363 /nfs/dbraw/zinc/27/33/63/1376273363.db2.gz PGSWEBVOTPKVPF-UYAOXDASSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)c1O ZINC001231592922 1376274389 /nfs/dbraw/zinc/27/43/89/1376274389.db2.gz LNSZBGFTZFRPJI-LJQANCHMSA-N 1 1 342.464 3.391 20 10 EGCDMO Cc1cc(O)c(C[N@H+]2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1Cl ZINC001231868245 1376331956 /nfs/dbraw/zinc/33/19/56/1376331956.db2.gz SFXBLAOADAOTBL-ZDUSSCGKSA-N 1 1 340.851 3.453 20 10 EGCDMO [O-]c1c(Cl)cccc1C[N@H+]1CCCN(Cc2ccncc2)CC1 ZINC001231910126 1376345369 /nfs/dbraw/zinc/34/53/69/1376345369.db2.gz VHKHJFSACOTYKO-UHFFFAOYSA-N 1 1 331.847 3.149 20 10 EGCDMO C[C@]1(O)CC[N@@H+](Cc2c(O)ccc3cc(Br)ccc32)C1 ZINC001233194049 1376584047 /nfs/dbraw/zinc/58/40/47/1376584047.db2.gz KEFQUNNZSZPDBS-INIZCTEOSA-N 1 1 336.229 3.265 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+](C(C)C)C2CCN(C)CC2)c1O ZINC001233291017 1376606028 /nfs/dbraw/zinc/60/60/28/1376606028.db2.gz HRPZXGPPGMCHKS-UHFFFAOYSA-N 1 1 326.868 3.359 20 10 EGCDMO Oc1ccc(F)c(F)c1C[NH+]1CCC(O)(c2ccc(F)cc2)CC1 ZINC001233334635 1376617821 /nfs/dbraw/zinc/61/78/21/1376617821.db2.gz OARXFCQYTPJFQB-UHFFFAOYSA-N 1 1 337.341 3.293 20 10 EGCDMO Oc1cc(O)c(C[N@H+]2CCC[C@@]3(CCc4c3cccc4F)C2)cc1O ZINC001233487969 1376652763 /nfs/dbraw/zinc/65/27/63/1376652763.db2.gz ZATNGZUQPJQBMT-HXUWFJFHSA-N 1 1 343.398 3.423 20 10 EGCDMO COc1cccc([C@H]2CCC[N@@H+](Cc3cc(O)c(O)cc3O)C2)c1 ZINC001233487213 1376652814 /nfs/dbraw/zinc/65/28/14/1376652814.db2.gz VBKSSOHIRILJFM-AWEZNQCLSA-N 1 1 329.396 3.192 20 10 EGCDMO C[C@@]1(c2ccc(Cl)cc2)C[N@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486205 1376652975 /nfs/dbraw/zinc/65/29/75/1376652975.db2.gz COKIDBSZYRBINP-SFHVURJKSA-N 1 1 349.814 3.204 20 10 EGCDMO C[C@@]1(c2ccc(Cl)cc2)C[N@@H+](Cc2cc(O)c(O)cc2O)CCO1 ZINC001233486205 1376652979 /nfs/dbraw/zinc/65/29/79/1376652979.db2.gz COKIDBSZYRBINP-SFHVURJKSA-N 1 1 349.814 3.204 20 10 EGCDMO [O-]c1ccc(F)c(Cl)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427584 1376870224 /nfs/dbraw/zinc/87/02/24/1376870224.db2.gz NPRPOXGZYDCQFI-OLZOCXBDSA-N 1 1 326.843 3.396 20 10 EGCDMO [O-]c1ccc(F)c(Cl)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC001235427584 1376870231 /nfs/dbraw/zinc/87/02/31/1376870231.db2.gz NPRPOXGZYDCQFI-OLZOCXBDSA-N 1 1 326.843 3.396 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3cncc(OC)c3C)CC2)cc1 ZINC001235473258 1376873684 /nfs/dbraw/zinc/87/36/84/1376873684.db2.gz HMXZROKLLGOCKN-UHFFFAOYSA-N 1 1 341.455 3.120 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C)N1 ZINC001235902085 1376914886 /nfs/dbraw/zinc/91/48/86/1376914886.db2.gz BYSJWUUMMDETBS-TXEJJXNPSA-N 1 1 349.272 3.490 20 10 EGCDMO C[C@@H]1CN(Cc2c(O)ccc3cc(Br)ccc32)C[C@H](C)[NH2+]1 ZINC001235902085 1376914888 /nfs/dbraw/zinc/91/48/88/1376914888.db2.gz BYSJWUUMMDETBS-TXEJJXNPSA-N 1 1 349.272 3.490 20 10 EGCDMO Oc1cc(OCC(F)(F)F)ccc1C[NH+]1CCN(C2CCC2)CC1 ZINC001237053961 1376970838 /nfs/dbraw/zinc/97/08/38/1376970838.db2.gz RTOJQRDBOKYYBG-UHFFFAOYSA-N 1 1 344.377 3.003 20 10 EGCDMO CCO[C@H]1CCC[N@@H+](Cc2c(O)cc(OC)cc2Br)C1 ZINC001237061193 1376973620 /nfs/dbraw/zinc/97/36/20/1376973620.db2.gz ZFKCCGQNYBBFTR-NSHDSACASA-N 1 1 344.249 3.164 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@@H]2Cc2ccccn2)c(O)c(OC)c1 ZINC001237676017 1376983449 /nfs/dbraw/zinc/98/34/49/1376983449.db2.gz JBFSAHYHXZPUQW-MRXNPFEDSA-N 1 1 328.412 3.012 20 10 EGCDMO COC(=O)Cc1ccc(C[N@@H+](C)CCc2cccc(C)c2)c(O)c1 ZINC001249207847 1377072905 /nfs/dbraw/zinc/07/29/05/1377072905.db2.gz JXJGCUHGNVCREZ-UHFFFAOYSA-N 1 1 327.424 3.091 20 10 EGCDMO CC[N@@H+](Cc1ccccc1O)Cc1ccc(C(=O)OC)cc1OC ZINC001137454049 1377550609 /nfs/dbraw/zinc/55/06/09/1377550609.db2.gz QFQQRMVHHBUFOU-UHFFFAOYSA-N 1 1 329.396 3.210 20 10 EGCDMO CC[NH+](CC)CCN(CC[NH+](CC)CC)Cc1c([O-])cccc1F ZINC001137839121 1377627042 /nfs/dbraw/zinc/62/70/42/1377627042.db2.gz RSBVOOYEWLMKCJ-UHFFFAOYSA-N 1 1 339.499 3.017 20 10 EGCDMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1c(O)cccc1F ZINC001137841904 1377628060 /nfs/dbraw/zinc/62/80/60/1377628060.db2.gz ZGAFOZORVBUIOD-IUODEOHRSA-N 1 1 338.423 3.409 20 10 EGCDMO C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c(O)cccc1F ZINC001137841904 1377628064 /nfs/dbraw/zinc/62/80/64/1377628064.db2.gz ZGAFOZORVBUIOD-IUODEOHRSA-N 1 1 338.423 3.409 20 10 EGCDMO CN(C[C@H]1CC[N@H+](Cc2c(O)cccc2F)C1)C(=O)OC(C)(C)C ZINC001137839601 1377628627 /nfs/dbraw/zinc/62/86/27/1377628627.db2.gz FIKDLPBDTQBXHM-CYBMUJFWSA-N 1 1 338.423 3.220 20 10 EGCDMO CN(C[C@H]1CC[N@@H+](Cc2c(O)cccc2F)C1)C(=O)OC(C)(C)C ZINC001137839601 1377628630 /nfs/dbraw/zinc/62/86/30/1377628630.db2.gz FIKDLPBDTQBXHM-CYBMUJFWSA-N 1 1 338.423 3.220 20 10 EGCDMO O=C(N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2F)C1)c1ccc(F)cc1 ZINC001137841747 1377628950 /nfs/dbraw/zinc/62/89/50/1377628950.db2.gz SNODSESMFWUFAG-OAHLLOKOSA-N 1 1 346.377 3.065 20 10 EGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2c(O)cccc2F)C1)c1ccc(F)cc1 ZINC001137841747 1377628951 /nfs/dbraw/zinc/62/89/51/1377628951.db2.gz SNODSESMFWUFAG-OAHLLOKOSA-N 1 1 346.377 3.065 20 10 EGCDMO Cc1cc(C[N@H+]2CCCC3(C2)OCCO3)c(C)n1-c1ccccc1 ZINC001137859385 1377632461 /nfs/dbraw/zinc/63/24/61/1377632461.db2.gz WDTAHVDMWIMOKS-UHFFFAOYSA-N 1 1 326.440 3.433 20 10 EGCDMO Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680953 /nfs/dbraw/zinc/68/09/53/1377680953.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 1 1 340.442 3.404 20 10 EGCDMO Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680954 /nfs/dbraw/zinc/68/09/54/1377680954.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 1 1 340.442 3.404 20 10 EGCDMO Cc1ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccc(F)c4[O-])C[C@@H]3C2)cc1 ZINC001138124957 1377680955 /nfs/dbraw/zinc/68/09/55/1377680955.db2.gz FOJNUICENBJVBD-KDURUIRLSA-N 1 1 340.442 3.404 20 10 EGCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cccc(F)c1O ZINC001138123915 1377680986 /nfs/dbraw/zinc/68/09/86/1377680986.db2.gz RJLOXXLDFZYCRP-ZDUSSCGKSA-N 1 1 338.423 3.363 20 10 EGCDMO C[C@H]1CN(C(=O)OC(C)(C)C)CCC[N@H+]1Cc1cccc(F)c1O ZINC001138123915 1377680987 /nfs/dbraw/zinc/68/09/87/1377680987.db2.gz RJLOXXLDFZYCRP-ZDUSSCGKSA-N 1 1 338.423 3.363 20 10 EGCDMO CCC[C@H](COC)[N@H+](CCC(=O)OCC)Cc1cccc(F)c1O ZINC001138129785 1377682965 /nfs/dbraw/zinc/68/29/65/1377682965.db2.gz WJFIXWYXPBBFFT-OAHLLOKOSA-N 1 1 341.423 3.102 20 10 EGCDMO CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cccc(F)c1O ZINC001138129785 1377682966 /nfs/dbraw/zinc/68/29/66/1377682966.db2.gz WJFIXWYXPBBFFT-OAHLLOKOSA-N 1 1 341.423 3.102 20 10 EGCDMO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@@H+]1Cc1cccc(F)c1O ZINC001138131342 1377683368 /nfs/dbraw/zinc/68/33/68/1377683368.db2.gz XFUMCNMKNUSQDT-SWLSCSKDSA-N 1 1 338.423 3.409 20 10 EGCDMO C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cccc(F)c1O ZINC001138131342 1377683369 /nfs/dbraw/zinc/68/33/69/1377683369.db2.gz XFUMCNMKNUSQDT-SWLSCSKDSA-N 1 1 338.423 3.409 20 10 EGCDMO CC(=O)N1CC[C@H]([N@H+](Cc2c(C)n(C)c3ccccc23)C(C)C)C1 ZINC001138260216 1377695060 /nfs/dbraw/zinc/69/50/60/1377695060.db2.gz ZNVSGAQIZJJQNZ-KRWDZBQOSA-N 1 1 327.472 3.318 20 10 EGCDMO C[C@]1(CO)CCC[N@@H+](Cc2cc3c4c(c2O)CCCN4CCC3)CC1 ZINC001138338730 1377705865 /nfs/dbraw/zinc/70/58/65/1377705865.db2.gz UVASHRKBZRPOCI-NRFANRHFSA-N 1 1 344.499 3.076 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCCN3C)CC[C@@]1(O)C(F)(F)F ZINC001138354602 1377708316 /nfs/dbraw/zinc/70/83/16/1377708316.db2.gz PASYDHOVBLREKH-GUYCJALGSA-N 1 1 342.405 3.204 20 10 EGCDMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc3c(c2)CCCN3C)[C@@H]1C ZINC001138357042 1377708409 /nfs/dbraw/zinc/70/84/09/1377708409.db2.gz ZVEOAPZRYFVLMQ-QAPCUYQASA-N 1 1 330.472 3.233 20 10 EGCDMO COC[C@@]12CCCO[C@H]1CC[N@@H+](Cc1ccc3c(c1)CCCN3C)C2 ZINC001138357276 1377708449 /nfs/dbraw/zinc/70/84/49/1377708449.db2.gz PSPUIBXYYCHHHS-SFTDATJTSA-N 1 1 344.499 3.087 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@](O)(CF)C2)c(OC)c1 ZINC001138385843 1377713412 /nfs/dbraw/zinc/71/34/12/1377713412.db2.gz APCQMOXDFBOQFR-LJQANCHMSA-N 1 1 338.467 3.228 20 10 EGCDMO CCN(CC)c1ccc(CN2C[C@H]3[C@H](C2)CCC[N@H+]3C)c(OC)c1 ZINC001138391599 1377714289 /nfs/dbraw/zinc/71/42/89/1377714289.db2.gz GMSONMYCAUKPIZ-LPHOPBHVSA-N 1 1 331.504 3.067 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3C)c(OC)c1 ZINC001138391599 1377714290 /nfs/dbraw/zinc/71/42/90/1377714290.db2.gz GMSONMYCAUKPIZ-LPHOPBHVSA-N 1 1 331.504 3.067 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3C)c(OC)c1 ZINC001138391599 1377714291 /nfs/dbraw/zinc/71/42/91/1377714291.db2.gz GMSONMYCAUKPIZ-LPHOPBHVSA-N 1 1 331.504 3.067 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@]3(CCC(=O)O3)C2)c(OC)c1 ZINC001138391165 1377714729 /nfs/dbraw/zinc/71/47/29/1377714729.db2.gz CWFVHLLIJKOMRH-FQEVSTJZSA-N 1 1 346.471 3.213 20 10 EGCDMO c1ccc(C[C@@H]2CCC[N@H+]2Cc2ccc(N3CCOCC3)cc2)nc1 ZINC001138497912 1377733680 /nfs/dbraw/zinc/73/36/80/1377733680.db2.gz PVIOUFOKWGSFDU-NRFANRHFSA-N 1 1 337.467 3.125 20 10 EGCDMO CCC[N@@H+](C)Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138675828 1377766912 /nfs/dbraw/zinc/76/69/12/1377766912.db2.gz MXKPGPZTVKHEDR-UHFFFAOYSA-N 1 1 327.266 3.128 20 10 EGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1ccc(C(F)(F)F)cn1)CCC2 ZINC001139017464 1377818653 /nfs/dbraw/zinc/81/86/53/1377818653.db2.gz ZFOKNYKCHIUUCZ-UHFFFAOYSA-N 1 1 338.329 3.460 20 10 EGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1ccc(C(F)(F)F)cn1)CCC2 ZINC001139017464 1377818654 /nfs/dbraw/zinc/81/86/54/1377818654.db2.gz ZFOKNYKCHIUUCZ-UHFFFAOYSA-N 1 1 338.329 3.460 20 10 EGCDMO C[C@@H]1CN(c2ccc(C[N@@H+](C)Cc3ccccc3O)cn2)C[C@H](C)O1 ZINC001139384614 1377877131 /nfs/dbraw/zinc/87/71/31/1377877131.db2.gz DAUDGXCYYYWOSE-IYBDPMFKSA-N 1 1 341.455 3.033 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCN3C(=O)C(C)C)C2)ccc1N(C)C ZINC001139672526 1377930864 /nfs/dbraw/zinc/93/08/64/1377930864.db2.gz XVCGRGVNTPGYJB-AZUAARDMSA-N 1 1 343.515 3.140 20 10 EGCDMO COC[C@]12CCCO[C@@H]1CC[N@@H+](Cc1ccc(N(C)C)c(C)c1)C2 ZINC001139670869 1377930971 /nfs/dbraw/zinc/93/09/71/1377930971.db2.gz BQTUILVVSKESGJ-WOJBJXKFSA-N 1 1 332.488 3.079 20 10 EGCDMO Cc1cc(C[N@H+]2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139670629 1377931034 /nfs/dbraw/zinc/93/10/34/1377931034.db2.gz NMNNYQHHYQRVFE-JXFKEZNVSA-N 1 1 345.487 3.160 20 10 EGCDMO Cc1cc(C[N@@H+]2C[C@H]3[C@@H](CN3C(=O)OC(C)(C)C)C2)ccc1N(C)C ZINC001139674375 1377931494 /nfs/dbraw/zinc/93/14/94/1377931494.db2.gz XCSALKCNXJEPOY-AEFFLSMTSA-N 1 1 345.487 3.112 20 10 EGCDMO Oc1ccc(F)cc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001140055365 1377996864 /nfs/dbraw/zinc/99/68/64/1377996864.db2.gz STXRHMIPPLXGBO-LPHOPBHVSA-N 1 1 326.415 3.238 20 10 EGCDMO Oc1ccc(F)cc1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001140055365 1377996865 /nfs/dbraw/zinc/99/68/65/1377996865.db2.gz STXRHMIPPLXGBO-LPHOPBHVSA-N 1 1 326.415 3.238 20 10 EGCDMO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001140055365 1377996866 /nfs/dbraw/zinc/99/68/66/1377996866.db2.gz STXRHMIPPLXGBO-LPHOPBHVSA-N 1 1 326.415 3.238 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(F)ccc1O ZINC001140055007 1377996916 /nfs/dbraw/zinc/99/69/16/1377996916.db2.gz DIXBUZKUQSGLFS-NUTKFTJISA-N 1 1 335.419 3.474 20 10 EGCDMO CCOC(=O)[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@H]2CCCC[C@@H]12 ZINC001140063740 1378000043 /nfs/dbraw/zinc/00/00/43/1378000043.db2.gz YDEFSDPHQYCEHL-XYPHTWIQSA-N 1 1 335.419 3.333 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@H](C(=O)N3CCCCC3)C2)c1O ZINC001140179469 1378026127 /nfs/dbraw/zinc/02/61/27/1378026127.db2.gz KYUOGAOEJQHVTO-KRWDZBQOSA-N 1 1 330.472 3.234 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](F)[C@](O)(C(F)(F)F)CC2)c1O ZINC001140178672 1378026589 /nfs/dbraw/zinc/02/65/89/1378026589.db2.gz UCCWXBGJIHAREI-HIFRSBDPSA-N 1 1 335.341 3.236 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CCC[C@@]3(CCN(CC4CC4)C3=O)C2)c1O ZINC001140181455 1378027049 /nfs/dbraw/zinc/02/70/49/1378027049.db2.gz VNZGSGGAUIVSST-OAQYLSRUSA-N 1 1 342.483 3.234 20 10 EGCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c(C)ccc(C)c1O)C2 ZINC001140181855 1378027056 /nfs/dbraw/zinc/02/70/56/1378027056.db2.gz YGANENAUYQREKB-PXNSSMCTSA-N 1 1 333.472 3.417 20 10 EGCDMO Cc1cnc(O[C@@H]2CCC[N@@H+](Cc3c(C)ccc(C)c3O)C2)nc1 ZINC001140184638 1378028129 /nfs/dbraw/zinc/02/81/29/1378028129.db2.gz CMEQVBBYABBPAY-MRXNPFEDSA-N 1 1 327.428 3.151 20 10 EGCDMO OC1CCN(c2ccc(C[N@@H+]3C[C@H]4CC[C@@H](C3)C4(F)F)cc2)CC1 ZINC001140284921 1378041192 /nfs/dbraw/zinc/04/11/92/1378041192.db2.gz YSFIWTYIWWXQJZ-IYBDPMFKSA-N 1 1 336.426 3.125 20 10 EGCDMO C[N@@H+](C1CCOCC1)C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC001140341215 1378049614 /nfs/dbraw/zinc/04/96/14/1378049614.db2.gz DSNXSMPHMIDYDK-UHFFFAOYSA-N 1 1 338.879 3.121 20 10 EGCDMO COc1cccnc1O[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC001140342542 1378050330 /nfs/dbraw/zinc/05/03/30/1378050330.db2.gz OMOCNYLQSZTIKN-LBPRGKRZSA-N 1 1 334.803 3.103 20 10 EGCDMO CN1c2ccccc2[C@@]2(CC[N@@H+](Cc3c(O)cccc3Cl)C2)C1=O ZINC001140344184 1378050494 /nfs/dbraw/zinc/05/04/94/1378050494.db2.gz FUKYWMHSNHYLPU-IBGZPJMESA-N 1 1 342.826 3.166 20 10 EGCDMO CCOC(=O)N1CCC([N@H+](C)Cc2ccc(Cl)cc2O)CC1 ZINC001140464898 1378067857 /nfs/dbraw/zinc/06/78/57/1378067857.db2.gz FRVKYYQQVDDKHT-UHFFFAOYSA-N 1 1 326.824 3.098 20 10 EGCDMO CCOC(=O)N1CCC([N@@H+](C)Cc2ccc(Cl)cc2O)CC1 ZINC001140464898 1378067860 /nfs/dbraw/zinc/06/78/60/1378067860.db2.gz FRVKYYQQVDDKHT-UHFFFAOYSA-N 1 1 326.824 3.098 20 10 EGCDMO CN1c2ccccc2C2(CC[NH+](Cc3cccc(F)c3O)CC2)C1=O ZINC001273304245 1378095539 /nfs/dbraw/zinc/09/55/39/1378095539.db2.gz KZBBGPBVVMZYOA-UHFFFAOYSA-N 1 1 340.398 3.042 20 10 EGCDMO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC001140617552 1378098387 /nfs/dbraw/zinc/09/83/87/1378098387.db2.gz TYGASKQMHKZTEK-GDBMZVCRSA-N 1 1 334.460 3.436 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c1 ZINC001140617116 1378098594 /nfs/dbraw/zinc/09/85/94/1378098594.db2.gz FVPGMPZCRNBZHP-HUUCEWRRSA-N 1 1 338.423 3.138 20 10 EGCDMO COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(O)c(C)c3O)C2)c1 ZINC001140745723 1378128335 /nfs/dbraw/zinc/12/83/35/1378128335.db2.gz MUYKZFOYYUNKQC-GOSISDBHSA-N 1 1 343.423 3.458 20 10 EGCDMO Cc1c(O)ccc(C[NH+]2C[C@@H]3C[N@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128613 /nfs/dbraw/zinc/12/86/13/1378128613.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 1 1 344.480 3.032 20 10 EGCDMO Cc1c(O)ccc(C[NH+]2C[C@@H]3C[N@@H+](Cc4cccs4)C[C@@H]3C2)c1O ZINC001140744165 1378128614 /nfs/dbraw/zinc/12/86/14/1378128614.db2.gz NQENSIRYPOMXMX-IYBDPMFKSA-N 1 1 344.480 3.032 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)Cc2ccccc2)c(O)c1 ZINC001140851347 1378158653 /nfs/dbraw/zinc/15/86/53/1378158653.db2.gz IFACRQYPJVENQF-UHFFFAOYSA-N 1 1 328.456 3.233 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)OC)CC[C@H]2C)c(O)c1 ZINC001140850545 1378158697 /nfs/dbraw/zinc/15/86/97/1378158697.db2.gz PELWZHPZWDGKEM-GDBMZVCRSA-N 1 1 334.460 3.012 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H](c3ccncc3)C2)c(O)c1 ZINC001140857072 1378159616 /nfs/dbraw/zinc/15/96/16/1378159616.db2.gz LKUWTRMTEKWQGF-FQEVSTJZSA-N 1 1 341.455 3.207 20 10 EGCDMO CN(C)c1ccc(C[NH+]2CCC(Oc3ncccn3)CC2)c(Cl)c1 ZINC001140925319 1378181847 /nfs/dbraw/zinc/18/18/47/1378181847.db2.gz RVCKWQBTXAIYQN-UHFFFAOYSA-N 1 1 346.862 3.239 20 10 EGCDMO Cc1ccc(C[N@H+]2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)c(O)c1 ZINC001140949573 1378190530 /nfs/dbraw/zinc/19/05/30/1378190530.db2.gz DTTBEEYAGFTQOK-QUCCMNQESA-N 1 1 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/nfs/dbraw/zinc/71/37/78/1378713778.db2.gz CXZYTINZSBJINE-HNNXBMFYSA-N 1 1 344.224 3.296 20 10 EGCDMO C[NH+]1CCN(c2ccc(CNc3ncccc3Cl)cc2F)CC1 ZINC001327857732 1388606771 /nfs/dbraw/zinc/60/67/71/1388606771.db2.gz CEZYTDWPTMVGRK-UHFFFAOYSA-N 1 1 334.826 3.238 20 10 EGCDMO CCN(Cc1ccccc1O)c1cc(OC2CC[NH+](C)CC2)ccn1 ZINC001154890916 1380373563 /nfs/dbraw/zinc/37/35/63/1380373563.db2.gz VXXQFWWHUAOVSY-UHFFFAOYSA-N 1 1 341.455 3.287 20 10 EGCDMO CC[N@@H+](CC=C(C)C)[C@H](C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001157209547 1380811065 /nfs/dbraw/zinc/81/10/65/1380811065.db2.gz BHPPJFNYWGMXNS-CQSZACIVSA-N 1 1 345.447 3.255 20 10 EGCDMO Cc1cccc(CNc2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)c1O ZINC001160769234 1382190588 /nfs/dbraw/zinc/19/05/88/1382190588.db2.gz BSNRTZSBLLIMOT-BQYQJAHWSA-N 1 1 328.372 3.148 20 10 EGCDMO Oc1ccc(CNc2c[nH+]c3c(Br)cccn23)cc1O ZINC001169995226 1384213681 /nfs/dbraw/zinc/21/36/81/1384213681.db2.gz UZRPYNYTLPQQMS-UHFFFAOYSA-N 1 1 334.173 3.120 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)c2ccc(F)cc2)c1 ZINC001320424282 1386606569 /nfs/dbraw/zinc/60/65/69/1386606569.db2.gz JGJCVJXXFOBEIL-XIKOKIGWSA-N 1 1 347.386 3.356 20 10 EGCDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC001322333445 1387161152 /nfs/dbraw/zinc/16/11/52/1387161152.db2.gz HYTOPSKZRYHUBJ-HLIPFELVSA-N 1 1 330.472 3.055 20 10 EGCDMO O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001337000643 1389232296 /nfs/dbraw/zinc/23/22/96/1389232296.db2.gz DGUHOQUQQQEWJS-LJQANCHMSA-N 1 1 341.499 3.025 20 10 EGCDMO c1ccc(CO[C@@H]2CC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)nc1 ZINC001331084473 1389625744 /nfs/dbraw/zinc/62/57/44/1389625744.db2.gz YRTHHVUTMGEEGJ-OAQYLSRUSA-N 1 1 337.467 3.473 20 10 EGCDMO Oc1c(F)cc(F)cc1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC001331552239 1389796976 /nfs/dbraw/zinc/79/69/76/1389796976.db2.gz FGMCHPCWTVBZDC-INIZCTEOSA-N 1 1 341.398 3.221 20 10 EGCDMO CC[N@@H+](CCCCC(=O)OC)Cc1cc(Br)ccc1O ZINC001334973212 1390627188 /nfs/dbraw/zinc/62/71/88/1390627188.db2.gz SHQHMMMCNZWNHK-UHFFFAOYSA-N 1 1 344.249 3.320 20 10 EGCDMO C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cc(C(=O)[O-])ccc1O ZINC001594227277 998871871 /nfs/dbraw/zinc/87/18/71/998871871.db2.gz ZUWONUCVWMWUIZ-OWCLPIDISA-N 1 1 348.487 3.499 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CC(C)(C)[C@H]2[C@H]2CCCO2)c1O ZINC000291490850 456658845 /nfs/dbraw/zinc/65/88/45/456658845.db2.gz GNKHABRCHWYHEH-CZUORRHYSA-N 1 1 325.836 3.444 20 10 EGCDMO CN(C)c1ccc(C[N@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012555544 453374412 /nfs/dbraw/zinc/37/44/12/453374412.db2.gz VYUKZXSHWSXTHF-UHFFFAOYSA-N 1 1 345.830 3.403 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000012555544 453374421 /nfs/dbraw/zinc/37/44/21/453374421.db2.gz VYUKZXSHWSXTHF-UHFFFAOYSA-N 1 1 345.830 3.403 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000132482811 454342641 /nfs/dbraw/zinc/34/26/41/454342641.db2.gz ODQGSVDZGJXSSZ-NHCUHLMSSA-N 1 1 346.563 3.065 20 10 EGCDMO COc1cccc(C[N@@H+](C)Cc2cc(Br)cn2C)c1O ZINC000091961628 454495796 /nfs/dbraw/zinc/49/57/96/454495796.db2.gz PVRIHOJRMUQZBO-UHFFFAOYSA-N 1 1 339.233 3.134 20 10 EGCDMO CCCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(OC)cc2)c(O)c1 ZINC000093415683 454713709 /nfs/dbraw/zinc/71/37/09/454713709.db2.gz HWRITQKBKPXMOM-LJQANCHMSA-N 1 1 345.439 3.355 20 10 EGCDMO COc1cccc(C[N@H+]2CCCN(Cc3ccccc3)CC2)c1O ZINC000127304857 454953195 /nfs/dbraw/zinc/95/31/95/454953195.db2.gz HWGUKZRRWSQRBL-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO COc1cccc(CN2CCC[N@H+](Cc3ccccc3)CC2)c1O ZINC000127304857 454953197 /nfs/dbraw/zinc/95/31/97/454953197.db2.gz HWGUKZRRWSQRBL-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO COc1cccc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1O ZINC000127304857 454953199 /nfs/dbraw/zinc/95/31/99/454953199.db2.gz HWGUKZRRWSQRBL-UHFFFAOYSA-N 1 1 326.440 3.109 20 10 EGCDMO CCCC[N@@H+](C)CC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000181077474 455284216 /nfs/dbraw/zinc/28/42/16/455284216.db2.gz DLZZBIANEYBHPW-SOFGYWHQSA-N 1 1 346.471 3.082 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)c1O ZINC000183782813 455327762 /nfs/dbraw/zinc/32/77/62/455327762.db2.gz DGLCQDZWBLPPKD-UHFFFAOYSA-N 1 1 330.428 3.443 20 10 EGCDMO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000266886866 455468960 /nfs/dbraw/zinc/46/89/60/455468960.db2.gz XRIIGAITMIKDGL-INIZCTEOSA-N 1 1 346.519 3.155 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000160887723 455509205 /nfs/dbraw/zinc/50/92/05/455509205.db2.gz SUZLDOUHXYJOGE-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC000160887723 455509208 /nfs/dbraw/zinc/50/92/08/455509208.db2.gz SUZLDOUHXYJOGE-UHFFFAOYSA-N 1 1 330.453 3.493 20 10 EGCDMO C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1ccc(F)cc1O ZINC000185547128 455576316 /nfs/dbraw/zinc/57/63/16/455576316.db2.gz PKAWOIHXMGSKQS-CYBMUJFWSA-N 1 1 330.403 3.126 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCO)c2ccccc2)c1O ZINC000271609862 455699650 /nfs/dbraw/zinc/69/96/50/455699650.db2.gz BIEJBEHQZJIUBE-KRWDZBQOSA-N 1 1 333.815 3.462 20 10 EGCDMO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000192963584 455728441 /nfs/dbraw/zinc/72/84/41/455728441.db2.gz XAASVTFQFWXZGR-NXEZZACHSA-N 1 1 331.243 3.361 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)c1O ZINC000292715660 455739180 /nfs/dbraw/zinc/73/91/80/455739180.db2.gz DTFBSPWFCADLJA-CQSZACIVSA-N 1 1 325.836 3.303 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1F ZINC000294895548 455831117 /nfs/dbraw/zinc/83/11/17/455831117.db2.gz WVRIZDOWPMRGPN-OAHLLOKOSA-N 1 1 335.467 3.005 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3[C@H]3CCCO3)cc2)CC1 ZINC000294883630 455831173 /nfs/dbraw/zinc/83/11/73/455831173.db2.gz ALQRRMUUGSVQPZ-NHCUHLMSSA-N 1 1 344.499 3.445 20 10 EGCDMO Cc1cc(C)c([C@H](C)[NH2+]C2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(O)c1 ZINC000285374730 455832215 /nfs/dbraw/zinc/83/22/15/455832215.db2.gz WCTGFGXWRXNQHZ-UHOSZYNNSA-N 1 1 346.515 3.428 20 10 EGCDMO COc1c(O)c(C[NH2+][C@H]2CCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000278440451 455835922 /nfs/dbraw/zinc/83/59/22/455835922.db2.gz VTBHBLPIBBSPON-ZDUSSCGKSA-N 1 1 348.330 3.062 20 10 EGCDMO COc1c(O)c(C[NH2+]CCc2ccc(F)cc2C)ccc1[N+](=O)[O-] ZINC000278531929 455838368 /nfs/dbraw/zinc/83/83/68/455838368.db2.gz VIEXIYWDROCZHN-UHFFFAOYSA-N 1 1 334.347 3.089 20 10 EGCDMO CCOC[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295138415 455840746 /nfs/dbraw/zinc/84/07/46/455840746.db2.gz ZEIWIJWGUNUGAF-GOSISDBHSA-N 1 1 332.488 3.160 20 10 EGCDMO CC[C@H](C)[N@H+](CC(=O)OC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295149885 455840878 /nfs/dbraw/zinc/84/08/78/455840878.db2.gz FUHSSATZFPGGMC-INIZCTEOSA-N 1 1 348.487 3.075 20 10 EGCDMO CC[C@H](C)[N@@H+](CC(=O)OC)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295149885 455840882 /nfs/dbraw/zinc/84/08/82/455840882.db2.gz FUHSSATZFPGGMC-INIZCTEOSA-N 1 1 348.487 3.075 20 10 EGCDMO COC1CCN(c2ccc(C[N@@H+](C)Cc3ccccn3)cc2)CC1 ZINC000295246028 455843176 /nfs/dbraw/zinc/84/31/76/455843176.db2.gz YQZFGKHPIJWGEF-UHFFFAOYSA-N 1 1 325.456 3.329 20 10 EGCDMO COc1c([O-])c(C[N@H+]2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636827 455843323 /nfs/dbraw/zinc/84/33/23/455843323.db2.gz HJABPPGSTAFWNO-GFCCVEGCSA-N 1 1 326.418 3.027 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636827 455843325 /nfs/dbraw/zinc/84/33/25/455843325.db2.gz HJABPPGSTAFWNO-GFCCVEGCSA-N 1 1 326.418 3.027 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCCC[C@@H](SC)C2)ccc1[N+](=O)[O-] ZINC000278636827 455843329 /nfs/dbraw/zinc/84/33/29/455843329.db2.gz HJABPPGSTAFWNO-GFCCVEGCSA-N 1 1 326.418 3.027 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H](C)CCc2ccc(O)cc2)ccc1[N+](=O)[O-] ZINC000278917447 455852166 /nfs/dbraw/zinc/85/21/66/455852166.db2.gz UHGPVQDGKYMJOF-LBPRGKRZSA-N 1 1 346.383 3.126 20 10 EGCDMO C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577395 455867846 /nfs/dbraw/zinc/86/78/46/455867846.db2.gz BCBBYDRFULEIOA-FXAWDEMLSA-N 1 1 330.472 3.057 20 10 EGCDMO C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423768 455968791 /nfs/dbraw/zinc/96/87/91/455968791.db2.gz IWIWDKXIICRVDT-GDLVEWKHSA-N 1 1 346.254 3.467 20 10 EGCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280423768 455968793 /nfs/dbraw/zinc/96/87/93/455968793.db2.gz IWIWDKXIICRVDT-GDLVEWKHSA-N 1 1 346.254 3.467 20 10 EGCDMO Cc1ccnc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)n1 ZINC000301296866 456084950 /nfs/dbraw/zinc/08/49/50/456084950.db2.gz YCDGPPFNKATSJW-HNNXBMFYSA-N 1 1 332.835 3.221 20 10 EGCDMO O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271063847 456116599 /nfs/dbraw/zinc/11/65/99/456116599.db2.gz HRMMFUMUIWTEGW-LJQANCHMSA-N 1 1 336.435 3.302 20 10 EGCDMO CCC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccccc1O ZINC000289398312 456124114 /nfs/dbraw/zinc/12/41/14/456124114.db2.gz RTZIJRYRITZHLH-UHFFFAOYSA-N 1 1 334.441 3.306 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1OC ZINC000271106401 456127353 /nfs/dbraw/zinc/12/73/53/456127353.db2.gz RXCPBPVKYSRRQY-FQEVSTJZSA-N 1 1 343.423 3.155 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2ncc(C)s2)c1 ZINC000273456024 456231272 /nfs/dbraw/zinc/23/12/72/456231272.db2.gz PQKOMPJAKBZHKJ-JQWIXIFHSA-N 1 1 334.441 3.398 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCCO[C@@H]2C(C)C)c1 ZINC000273447715 456231893 /nfs/dbraw/zinc/23/18/93/456231893.db2.gz FIJDGGAGJFZZJA-DHSIGJKJSA-N 1 1 335.444 3.281 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@H](CC(C)C)C2)c1 ZINC000273511606 456235957 /nfs/dbraw/zinc/23/59/57/456235957.db2.gz RUKPRBLIGIEBBR-CWRNSKLLSA-N 1 1 335.444 3.423 20 10 EGCDMO CCc1noc(CC)c1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273591905 456239382 /nfs/dbraw/zinc/23/93/82/456239382.db2.gz PLHPILFRDMLXES-NSHDSACASA-N 1 1 332.400 3.142 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1O ZINC000290129758 456248191 /nfs/dbraw/zinc/24/81/91/456248191.db2.gz JMLPHMZNGHCNMV-RYUDHWBXSA-N 1 1 328.250 3.056 20 10 EGCDMO CCCC[N@@H+](Cc1cc(=O)n2ccsc2n1)Cc1ccccc1O ZINC000282351543 456487830 /nfs/dbraw/zinc/48/78/30/456487830.db2.gz COIMJMAZHVZDPD-UHFFFAOYSA-N 1 1 343.452 3.264 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1O ZINC000291160938 456549870 /nfs/dbraw/zinc/54/98/70/456549870.db2.gz CKFAYRHGUICWTR-NRFANRHFSA-N 1 1 341.451 3.218 20 10 EGCDMO Cc1cc(C(=O)NCCn2cc[nH+]c2C)c(C)n1-c1ccc(F)cc1 ZINC000299481007 456705615 /nfs/dbraw/zinc/70/56/15/456705615.db2.gz DADMVMYSHYEIRE-UHFFFAOYSA-N 1 1 340.402 3.168 20 10 EGCDMO COc1cccc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c1O ZINC000378335117 457389574 /nfs/dbraw/zinc/38/95/74/457389574.db2.gz QRBWANUPBKPFFM-UHFFFAOYSA-N 1 1 346.471 3.015 20 10 EGCDMO Cc1c2ccccc2n(C)c1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357470814 457550284 /nfs/dbraw/zinc/55/02/84/457550284.db2.gz JGGFJCVSBBZKAC-INIZCTEOSA-N 1 1 327.472 3.367 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCOc3c(F)cccc32)ccc1[N+](=O)[O-] ZINC000372978461 458363540 /nfs/dbraw/zinc/36/35/40/458363540.db2.gz VTBHBLPIBBSPON-CYBMUJFWSA-N 1 1 348.330 3.062 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377707948 458512285 /nfs/dbraw/zinc/51/22/85/458512285.db2.gz WKGJRJDQJHUILF-WOJBJXKFSA-N 1 1 330.472 3.057 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000377707948 458512287 /nfs/dbraw/zinc/51/22/87/458512287.db2.gz WKGJRJDQJHUILF-WOJBJXKFSA-N 1 1 330.472 3.057 20 10 EGCDMO COc1cc(C)cc(C[N@@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000530100944 458685496 /nfs/dbraw/zinc/68/54/96/458685496.db2.gz ALOLWNXDCGLVHC-UHFFFAOYSA-N 1 1 341.455 3.355 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)c1O ZINC000530100944 458685504 /nfs/dbraw/zinc/68/55/04/458685504.db2.gz ALOLWNXDCGLVHC-UHFFFAOYSA-N 1 1 341.455 3.355 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471843950 458741502 /nfs/dbraw/zinc/74/15/02/458741502.db2.gz JSMDLSVTSROEPG-CQSZACIVSA-N 1 1 330.476 3.016 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NCC[N@@H+](CC)C2CC2)cc1 ZINC000726281558 574548053 /nfs/dbraw/zinc/54/80/53/574548053.db2.gz YVSYDSGGTZDYIV-UHFFFAOYSA-N 1 1 346.519 3.159 20 10 EGCDMO CC[N@@H+](CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000726606550 574563547 /nfs/dbraw/zinc/56/35/47/574563547.db2.gz BQIHDVWHGXKVGR-UHFFFAOYSA-N 1 1 348.491 3.405 20 10 EGCDMO CCN(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)C ZINC000726606550 574563549 /nfs/dbraw/zinc/56/35/49/574563549.db2.gz BQIHDVWHGXKVGR-UHFFFAOYSA-N 1 1 348.491 3.405 20 10 EGCDMO CC[C@H](C)[N@@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161166 574651973 /nfs/dbraw/zinc/65/19/73/574651973.db2.gz BKUIVAZKAMGAGG-INIZCTEOSA-N 1 1 348.491 3.405 20 10 EGCDMO CC[C@H](C)N(C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161166 574651975 /nfs/dbraw/zinc/65/19/75/574651975.db2.gz BKUIVAZKAMGAGG-INIZCTEOSA-N 1 1 348.491 3.405 20 10 EGCDMO CCN(CC)c1ccc(CN(C)C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000729617212 574874013 /nfs/dbraw/zinc/87/40/13/574874013.db2.gz HRXMCACQHROJEZ-INIZCTEOSA-N 1 1 346.519 3.157 20 10 EGCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731016488 575044935 /nfs/dbraw/zinc/04/49/35/575044935.db2.gz UDLUUCXHRAOZIE-FQEVSTJZSA-N 1 1 343.515 3.414 20 10 EGCDMO CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000731218051 575060861 /nfs/dbraw/zinc/06/08/61/575060861.db2.gz QZIKKPCDCJJDGF-IBGZPJMESA-N 1 1 346.519 3.206 20 10 EGCDMO CCCCCC[N@@H+](C)CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000732278893 575253989 /nfs/dbraw/zinc/25/39/89/575253989.db2.gz DYTWURLUQPZRQW-UHFFFAOYSA-N 1 1 331.504 3.197 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](C)CC(=O)NCc2ccccc2)cc1 ZINC000741677202 576710475 /nfs/dbraw/zinc/71/04/75/576710475.db2.gz WBRKTRVWIGFMJK-UHFFFAOYSA-N 1 1 339.483 3.281 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)CC(=O)NCc2ccccc2)cc1 ZINC000741677202 576710476 /nfs/dbraw/zinc/71/04/76/576710476.db2.gz WBRKTRVWIGFMJK-UHFFFAOYSA-N 1 1 339.483 3.281 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3ccncc3Cl)CC2)cc1 ZINC000743843625 576816690 /nfs/dbraw/zinc/81/66/90/576816690.db2.gz ZSHVDUKBIUZHQT-UHFFFAOYSA-N 1 1 331.847 3.456 20 10 EGCDMO CC(C)[C@@H]1C[N@@H+](Cc2ccc(Br)cc2O)CCCO1 ZINC000691678197 1298136672 /nfs/dbraw/zinc/13/66/72/1298136672.db2.gz OLQDVTVMIXGPBF-HNNXBMFYSA-N 1 1 328.250 3.402 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000048795081 1291618490 /nfs/dbraw/zinc/61/84/90/1291618490.db2.gz KQCJUPDEMLKDSI-UHFFFAOYSA-N 1 1 336.185 3.173 20 10 EGCDMO COc1ccc(N2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000067226803 1292154316 /nfs/dbraw/zinc/15/43/16/1292154316.db2.gz NZFCMSDTSZMHMP-UHFFFAOYSA-N 1 1 341.455 3.038 20 10 EGCDMO Cc1ccnc(-c2noc(C[NH2+][C@@H](C)c3ccc(N(C)C)cc3)n2)c1 ZINC000828959138 1292522523 /nfs/dbraw/zinc/52/25/23/1292522523.db2.gz JIBZWXUNDACMRH-AWEZNQCLSA-N 1 1 337.427 3.357 20 10 EGCDMO CN(CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000085772021 1292724846 /nfs/dbraw/zinc/72/48/46/1292724846.db2.gz KBIVVJICBOFYDT-UHFFFAOYSA-N 1 1 339.483 3.091 20 10 EGCDMO CS[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000830890323 1292780669 /nfs/dbraw/zinc/78/06/69/1292780669.db2.gz YBCFLYSIZWEFRL-OAHLLOKOSA-N 1 1 347.459 3.248 20 10 EGCDMO CS[C@@H]1CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1 ZINC000830890323 1292780676 /nfs/dbraw/zinc/78/06/76/1292780676.db2.gz YBCFLYSIZWEFRL-OAHLLOKOSA-N 1 1 347.459 3.248 20 10 EGCDMO C[C@H](c1cccc(O)c1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000093315649 1292915202 /nfs/dbraw/zinc/91/52/02/1292915202.db2.gz FOIDMBFDXORPSO-MRXNPFEDSA-N 1 1 326.440 3.422 20 10 EGCDMO C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)c2nccn21 ZINC000834519222 1293109122 /nfs/dbraw/zinc/10/91/22/1293109122.db2.gz QYHJPKYEMVCUHF-WMLDXEAASA-N 1 1 328.485 3.232 20 10 EGCDMO CC[C@@H]([NH2+][C@H](C)C(=O)NCCc1ccccc1)c1ccc(F)cc1O ZINC000834913574 1293175033 /nfs/dbraw/zinc/17/50/33/1293175033.db2.gz HZBOHYILKGWBFH-RDTXWAMCSA-N 1 1 344.430 3.319 20 10 EGCDMO C[N@H+](Cc1ccccc1O)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000121142740 1293357958 /nfs/dbraw/zinc/35/79/58/1293357958.db2.gz NWUZWFYORAHWMI-INIZCTEOSA-N 1 1 339.357 3.446 20 10 EGCDMO C[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000152115985 1293954956 /nfs/dbraw/zinc/95/49/56/1293954956.db2.gz ATXQQUBXCOHUID-HXUWFJFHSA-N 1 1 332.488 3.304 20 10 EGCDMO Oc1ccccc1C[N@H+](Cc1cccc2c[nH]nc21)C[C@@H]1CCCO1 ZINC000160181095 1294260680 /nfs/dbraw/zinc/26/06/80/1294260680.db2.gz OQAPFORZSGCCSW-SFHVURJKSA-N 1 1 337.423 3.450 20 10 EGCDMO COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)cc1C ZINC000179433303 1294794070 /nfs/dbraw/zinc/79/40/70/1294794070.db2.gz VIPZWPWPFRWOKU-UHFFFAOYSA-N 1 1 343.423 3.285 20 10 EGCDMO CC(=O)c1ccc(N2CC[NH+](Cc3cccc(C)c3O)CC2)c(F)c1 ZINC000179622216 1294808384 /nfs/dbraw/zinc/80/83/84/1294808384.db2.gz PGCUQPYGBBPHAH-UHFFFAOYSA-N 1 1 342.414 3.365 20 10 EGCDMO C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182888834 1295082406 /nfs/dbraw/zinc/08/24/06/1295082406.db2.gz VLDOSIAPEUKYCC-HZPDHXFCSA-N 1 1 345.487 3.187 20 10 EGCDMO CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000184348994 1295191401 /nfs/dbraw/zinc/19/14/01/1295191401.db2.gz QIOYYWDUTPYDFS-UHFFFAOYSA-N 1 1 348.487 3.077 20 10 EGCDMO CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000184348994 1295191409 /nfs/dbraw/zinc/19/14/09/1295191409.db2.gz QIOYYWDUTPYDFS-UHFFFAOYSA-N 1 1 348.487 3.077 20 10 EGCDMO CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2O)CC1 ZINC000187700116 1295410695 /nfs/dbraw/zinc/41/06/95/1295410695.db2.gz IFLFUPLKOQPIJG-OLZOCXBDSA-N 1 1 338.423 3.439 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000248540920 1296419817 /nfs/dbraw/zinc/41/98/17/1296419817.db2.gz ICEHMQNLEGOBKU-ROUUACIJSA-N 1 1 340.467 3.288 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H]([C@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000248540920 1296419823 /nfs/dbraw/zinc/41/98/23/1296419823.db2.gz ICEHMQNLEGOBKU-ROUUACIJSA-N 1 1 340.467 3.288 20 10 EGCDMO C[C@@H](O)C[N@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255692151 1296560980 /nfs/dbraw/zinc/56/09/80/1296560980.db2.gz IYWJQTDQCVZNLF-CQSZACIVSA-N 1 1 326.400 3.353 20 10 EGCDMO C[C@@H](O)C[N@@H+](C)CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255692151 1296560989 /nfs/dbraw/zinc/56/09/89/1296560989.db2.gz IYWJQTDQCVZNLF-CQSZACIVSA-N 1 1 326.400 3.353 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C(C)C)N1CCN(C)CC1 ZINC000326522910 1297237785 /nfs/dbraw/zinc/23/77/85/1297237785.db2.gz UXAFYGIYESKIBE-SQNIBIBYSA-N 1 1 345.531 3.111 20 10 EGCDMO C[C@@H]1CCN(C(=O)Nc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000382761668 1297564462 /nfs/dbraw/zinc/56/44/62/1297564462.db2.gz ZLXCDKDMEPSRST-MRXNPFEDSA-N 1 1 338.455 3.397 20 10 EGCDMO C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1O ZINC000875005895 1298198377 /nfs/dbraw/zinc/19/83/77/1298198377.db2.gz YGIAYJSKGKSGEZ-WBVHZDCISA-N 1 1 339.439 3.027 20 10 EGCDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000708570988 1298242930 /nfs/dbraw/zinc/24/29/30/1298242930.db2.gz QVQOBWXBGNOEHN-DOTOQJQBSA-N 1 1 338.455 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EGCDMO COc1ccc2c(c1)C[N@H+](Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877619233 1299436766 /nfs/dbraw/zinc/43/67/66/1299436766.db2.gz STMJJPVRSHTCMP-UHFFFAOYSA-N 1 1 338.451 3.172 20 10 EGCDMO CC[NH+]1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756364188 1300476737 /nfs/dbraw/zinc/47/67/37/1300476737.db2.gz RAEDEDLNTWAPKF-JTQLQIEISA-N 1 1 345.256 3.429 20 10 EGCDMO C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756363997 1300475376 /nfs/dbraw/zinc/47/53/76/1300475376.db2.gz RBHGHQINIKMWGM-VIFPVBQESA-N 1 1 331.229 3.039 20 10 EGCDMO C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2ccccc2c1[O-] ZINC000756407920 1300485921 /nfs/dbraw/zinc/48/59/21/1300485921.db2.gz HMJTVWKFTICOAK-QGZVFWFLSA-N 1 1 341.499 3.224 20 10 EGCDMO C[C@@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1ccc(F)cc1O ZINC000756453397 1300494909 /nfs/dbraw/zinc/49/49/09/1300494909.db2.gz GMDZOWMZVSJMIT-DYVFJYSZSA-N 1 1 330.403 3.402 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000756512168 1300511799 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C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(N(C)C)cc1 ZINC000764806473 1302139347 /nfs/dbraw/zinc/13/93/47/1302139347.db2.gz QHVWTLBKKZJSQM-HNAYVOBHSA-N 1 1 344.503 3.130 20 10 EGCDMO CCCNC(=O)c1cccc(C[NH2+]Cc2cc(F)cc(F)c2O)c1 ZINC000882896905 1302152290 /nfs/dbraw/zinc/15/22/90/1302152290.db2.gz UTAVLXKRSWLQFJ-UHFFFAOYSA-N 1 1 334.366 3.100 20 10 EGCDMO [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000882971985 1302187461 /nfs/dbraw/zinc/18/74/61/1302187461.db2.gz ZDWGTLJBMCCHED-MRXNPFEDSA-N 1 1 346.421 3.325 20 10 EGCDMO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883004558 1302202923 /nfs/dbraw/zinc/20/29/23/1302202923.db2.gz ONCWPRIKCXMUDU-QGZVFWFLSA-N 1 1 337.366 3.281 20 10 EGCDMO CCOC(=O)N1CCC([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2O)CC1 ZINC000883092986 1302244384 /nfs/dbraw/zinc/24/43/84/1302244384.db2.gz FYLRVDIJGNPKCQ-LLVKDONJSA-N 1 1 342.386 3.017 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@@H]3CCCc4cccnc43)cc2)CC1 ZINC000883289883 1302368847 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COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)c(O)cc1C ZINC000768437813 1302902075 /nfs/dbraw/zinc/90/20/75/1302902075.db2.gz JCMNDBHYQUHDSX-UHFFFAOYSA-N 1 1 326.440 3.027 20 10 EGCDMO C[N@@H+](CCCCc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768440197 1302904482 /nfs/dbraw/zinc/90/44/82/1302904482.db2.gz UGPPYXAQJRIWMB-IBGZPJMESA-N 1 1 327.424 3.273 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCSC[C@H]1c1ccccc1)[C@H](O)CO2 ZINC000768444365 1302908174 /nfs/dbraw/zinc/90/81/74/1302908174.db2.gz AGMKFWXBUSDPMO-FUHWJXTLSA-N 1 1 343.448 3.108 20 10 EGCDMO Cc1ccccc1[C@H]1CC[N@@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768444623 1302908367 /nfs/dbraw/zinc/90/83/67/1302908367.db2.gz MRCPXIZNDQGPHX-IFXJQAMLSA-N 1 1 325.408 3.116 20 10 EGCDMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000768452136 1302908735 /nfs/dbraw/zinc/90/87/35/1302908735.db2.gz OYWAJHIGHIVKSY-QGZVFWFLSA-N 1 1 346.471 3.370 20 10 EGCDMO CCC1(CC)[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)C[C@@H]1OC ZINC000768462991 1302910619 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3.444 20 10 EGCDMO COC[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000769402523 1303106959 /nfs/dbraw/zinc/10/69/59/1303106959.db2.gz HQLUBMPXIGLKFI-QGZVFWFLSA-N 1 1 347.459 3.444 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1(O)CCCC1 ZINC000769448379 1303114906 /nfs/dbraw/zinc/11/49/06/1303114906.db2.gz MZKYWCZMGSKEBV-UHFFFAOYSA-N 1 1 347.459 3.322 20 10 EGCDMO C[N@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000769534267 1303137475 /nfs/dbraw/zinc/13/74/75/1303137475.db2.gz UXJOBTQZJSNXME-INIZCTEOSA-N 1 1 333.432 3.053 20 10 EGCDMO CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1=CC(=O)CS1 ZINC000769654829 1303153593 /nfs/dbraw/zinc/15/35/93/1303153593.db2.gz VZTKHIZQUNSHCI-MRXNPFEDSA-N 1 1 332.469 3.340 20 10 EGCDMO C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000770372655 1303256375 /nfs/dbraw/zinc/25/63/75/1303256375.db2.gz DWLVMAWKAYTADO-NVXWUHKLSA-N 1 1 347.503 3.488 20 10 EGCDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000770372654 1303256588 /nfs/dbraw/zinc/25/65/88/1303256588.db2.gz DWLVMAWKAYTADO-DOTOQJQBSA-N 1 1 347.503 3.488 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771403816 1303400430 /nfs/dbraw/zinc/40/04/30/1303400430.db2.gz IJQZCQHYKXPMCE-LSDHHAIUSA-N 1 1 331.485 3.320 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000771403816 1303400434 /nfs/dbraw/zinc/40/04/34/1303400434.db2.gz IJQZCQHYKXPMCE-LSDHHAIUSA-N 1 1 331.485 3.320 20 10 EGCDMO C[C@H](CCc1ccco1)[NH2+]Cc1ccc(N2CCN(C)CC2)cc1 ZINC000771822670 1303446833 /nfs/dbraw/zinc/44/68/33/1303446833.db2.gz HMZARVSVSOTMKG-QGZVFWFLSA-N 1 1 327.472 3.142 20 10 EGCDMO C[C@@H]([NH2+]Cc1cc(F)ccc1N1CCOCC1)c1c(O)cccc1F ZINC000886530431 1303489495 /nfs/dbraw/zinc/48/94/95/1303489495.db2.gz KIXCXHHSNHVBPC-CYBMUJFWSA-N 1 1 348.393 3.358 20 10 EGCDMO CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773291307 1303655904 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COc1cccc(O[C@H]2CCC[N@@H+](Cc3ccc(C)cc3O)C2)n1 ZINC001140954091 1378191289 /nfs/dbraw/zinc/19/12/89/1378191289.db2.gz LGMOWOMCJFSMLX-INIZCTEOSA-N 1 1 328.412 3.148 20 10 EGCDMO Cc1ccc(C[N@@H+]2C[C@H](NC(=O)OC(C)(C)C)C[C@H](C)C2)c(O)c1 ZINC001140957643 1378193839 /nfs/dbraw/zinc/19/38/39/1378193839.db2.gz GYIHHJWWSALYKL-GOEBONIOSA-N 1 1 334.460 3.436 20 10 EGCDMO OC[C@@]1(F)CCC[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)CC1 ZINC001141074605 1378232719 /nfs/dbraw/zinc/23/27/19/1378232719.db2.gz NUJKQLJJOQGPEC-HXUWFJFHSA-N 1 1 332.463 3.072 20 10 EGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cc3c4c(c2)CCCN4CCC3)C1 ZINC001141074876 1378233017 /nfs/dbraw/zinc/23/30/17/1378233017.db2.gz VUZIACFYNRBXGH-DNVCBOLYSA-N 1 1 342.483 3.159 20 10 EGCDMO CN1CCOc2cc(CN3CCCC[C@H]3C[C@@H]3CCC[N@@H+]3C)ccc21 ZINC001141144807 1378248655 /nfs/dbraw/zinc/24/86/55/1378248655.db2.gz LFZYMIDRAUJDLM-OALUTQOASA-N 1 1 343.515 3.354 20 10 EGCDMO CN1CCOc2cc(CN3CCCC[C@H]3C[C@@H]3CCC[N@H+]3C)ccc21 ZINC001141144807 1378248657 /nfs/dbraw/zinc/24/86/57/1378248657.db2.gz LFZYMIDRAUJDLM-OALUTQOASA-N 1 1 343.515 3.354 20 10 EGCDMO CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1cc(O)ccc1O ZINC001141159564 1378254897 /nfs/dbraw/zinc/25/48/97/1378254897.db2.gz INHNRZJINVGISI-NUTKFTJISA-N 1 1 333.428 3.040 20 10 EGCDMO CCOC(=O)C[C@@H]1CC[N@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1C ZINC001142534424 1378454170 /nfs/dbraw/zinc/45/41/70/1378454170.db2.gz IXQQWDPTFGKXFC-RYUDHWBXSA-N 1 1 327.371 3.082 20 10 EGCDMO CCOC(=O)C[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2O)C[C@@H]1C ZINC001142534424 1378454173 /nfs/dbraw/zinc/45/41/73/1378454173.db2.gz IXQQWDPTFGKXFC-RYUDHWBXSA-N 1 1 327.371 3.082 20 10 EGCDMO CC[NH+](CC)CCN1CCN(Cc2cccc(C(C)(C)C)c2O)CC1 ZINC001143103529 1378540804 /nfs/dbraw/zinc/54/08/04/1378540804.db2.gz FIJBYLBZRABTSE-UHFFFAOYSA-N 1 1 347.547 3.149 20 10 EGCDMO COc1c(F)cccc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC001143533176 1378610633 /nfs/dbraw/zinc/61/06/33/1378610633.db2.gz QQZWFEBQQNQOHC-UHFFFAOYSA-N 1 1 344.430 3.303 20 10 EGCDMO CC1(C)C[N@H+](Cc2cc(Br)c(F)cc2O)[C@@](C)(CO)C1 ZINC001144299270 1378712645 /nfs/dbraw/zinc/71/26/45/1378712645.db2.gz UHVILBRACQVRNA-OAHLLOKOSA-N 1 1 346.240 3.277 20 10 EGCDMO CC1(C)C[N@@H+](Cc2cc(Br)c(F)cc2O)[C@@](C)(CO)C1 ZINC001144299270 1378712647 /nfs/dbraw/zinc/71/26/47/1378712647.db2.gz UHVILBRACQVRNA-OAHLLOKOSA-N 1 1 346.240 3.277 20 10 EGCDMO CC[NH+](CC)[C@@H]1CCN(Cc2cc(Br)c(F)cc2O)C1 ZINC001144306545 1378714417 /nfs/dbraw/zinc/71/44/17/1378714417.db2.gz GMSBYPKQSYOJLT-GFCCVEGCSA-N 1 1 345.256 3.210 20 10 EGCDMO CCC[C@H](C(=O)c1ccccc1)[N@@H+](C)Cc1c(O)cc(O)cc1O ZINC001144516468 1378739917 /nfs/dbraw/zinc/73/99/17/1378739917.db2.gz ZBKQJEBHZSIXCN-MRXNPFEDSA-N 1 1 329.396 3.287 20 10 EGCDMO Oc1cc(Br)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001327815854 1388599605 /nfs/dbraw/zinc/59/96/05/1388599605.db2.gz MEMNUIPORNNVRW-IUODEOHRSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1c(CNc2c[nH+]c3c(c2)CCCN3)cc(Cl)c2cccnc12 ZINC001168525587 1383930646 /nfs/dbraw/zinc/93/06/46/1383930646.db2.gz GWDUHWMSPSZNCM-UHFFFAOYSA-N 1 1 340.814 3.247 20 10 EGCDMO C[C@@H]1C[C@@H]([N@H+]2CCc3cccc(O)c3C2)CN1C(=O)OC(C)(C)C ZINC001168872652 1384042139 /nfs/dbraw/zinc/04/21/39/1384042139.db2.gz NXGOJEXWRBUXAA-UKRRQHHQSA-N 1 1 332.444 3.148 20 10 EGCDMO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC001172113317 1384730889 /nfs/dbraw/zinc/73/08/89/1384730889.db2.gz CAFIEHWLYGNOJD-QKDCVEJESA-N 1 1 339.277 3.260 20 10 EGCDMO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC001172113317 1384730901 /nfs/dbraw/zinc/73/09/01/1384730901.db2.gz CAFIEHWLYGNOJD-QKDCVEJESA-N 1 1 339.277 3.260 20 10 EGCDMO CCC[C@H]1CN(Cc2ccc(N3CCCC3)cc2)CC[N@H+]1CCOC ZINC001319728841 1386273047 /nfs/dbraw/zinc/27/30/47/1386273047.db2.gz LPDOZNIIRFSMCO-NRFANRHFSA-N 1 1 345.531 3.220 20 10 EGCDMO CCC[C@H]1C[N@H+](Cc2ccc(N3CCCC3)cc2)CCN1CCOC ZINC001319728841 1386273052 /nfs/dbraw/zinc/27/30/52/1386273052.db2.gz LPDOZNIIRFSMCO-NRFANRHFSA-N 1 1 345.531 3.220 20 10 EGCDMO CCC[C@H]1C[N@@H+](Cc2ccc(N3CCCC3)cc2)CCN1CCOC ZINC001319728841 1386273053 /nfs/dbraw/zinc/27/30/53/1386273053.db2.gz LPDOZNIIRFSMCO-NRFANRHFSA-N 1 1 345.531 3.220 20 10 EGCDMO COc1ccccc1C[N@@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001319811442 1386309502 /nfs/dbraw/zinc/30/95/02/1386309502.db2.gz ZAJPVBNJEOFYKH-UHFFFAOYSA-N 1 1 340.467 3.290 20 10 EGCDMO Cc1ccccc1C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC001182341714 1387152498 /nfs/dbraw/zinc/15/24/98/1387152498.db2.gz SFESPEOOQNYBIU-IBGZPJMESA-N 1 1 338.451 3.229 20 10 EGCDMO O=C(Nc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1)C1CC1 ZINC001334325115 1390517587 /nfs/dbraw/zinc/51/75/87/1390517587.db2.gz GLRMRTFZJSERNK-UHFFFAOYSA-N 1 1 332.350 3.309 20 10 EGCDMO CCCC[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1ccccc1O ZINC000825285330 947143496 /nfs/dbraw/zinc/14/34/96/947143496.db2.gz QVAMJLBKQBENJL-UHFFFAOYSA-N 1 1 337.427 3.375 20 10 EGCDMO OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000816549990 1126110780 /nfs/dbraw/zinc/11/07/80/1126110780.db2.gz FNOBAGQCZITOOX-CYBMUJFWSA-N 1 1 348.805 3.359 20 10 EGCDMO CC(C)[N@H+]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000095453823 218397125 /nfs/dbraw/zinc/39/71/25/218397125.db2.gz RFULOGCDIRMEQU-UHFFFAOYSA-N 1 1 327.266 3.071 20 10 EGCDMO C[N@@H+](Cc1ccc(C(N)=O)cc1)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000029886914 453832400 /nfs/dbraw/zinc/83/24/00/453832400.db2.gz HPZHWBCQBMIZGD-UHFFFAOYSA-N 1 1 342.439 3.126 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CCCN(Cc3cscn3)CC2)cc1F ZINC000131071714 454233904 /nfs/dbraw/zinc/23/39/04/454233904.db2.gz QGTWCIYDSIMQAU-UHFFFAOYSA-N 1 1 348.491 3.056 20 10 EGCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC2(CCOCC2)C1 ZINC000091894753 454485161 /nfs/dbraw/zinc/48/51/61/454485161.db2.gz AKKUXPXQYMTKQH-UHFFFAOYSA-N 1 1 330.472 3.058 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000092071297 454516375 /nfs/dbraw/zinc/51/63/75/454516375.db2.gz RUCHNTQMSCILDL-LLVKDONJSA-N 1 1 336.233 3.257 20 10 EGCDMO CCOc1cccc(C[N@@H+](C)Cc2cc(C(=O)OC)c(C)o2)c1O ZINC000122424707 454532048 /nfs/dbraw/zinc/53/20/48/454532048.db2.gz YGBCXHKPCIIJFW-UHFFFAOYSA-N 1 1 333.384 3.111 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000122577770 454549069 /nfs/dbraw/zinc/54/90/69/454549069.db2.gz BBNLDJRAEPTJQT-UHFFFAOYSA-N 1 1 326.440 3.164 20 10 EGCDMO C[NH+](C)CCC1CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000092380883 454558915 /nfs/dbraw/zinc/55/89/15/454558915.db2.gz UMGMNLVAEHUECW-UHFFFAOYSA-N 1 1 341.293 3.318 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+](CCO)Cc2cccnc2)cc1F ZINC000093085925 454680334 /nfs/dbraw/zinc/68/03/34/454680334.db2.gz BMHGWPKMDFCHCB-UHFFFAOYSA-N 1 1 331.435 3.061 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](CCO)Cc2cccnc2)cc1F ZINC000093085925 454680338 /nfs/dbraw/zinc/68/03/38/454680338.db2.gz BMHGWPKMDFCHCB-UHFFFAOYSA-N 1 1 331.435 3.061 20 10 EGCDMO CCCO[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000093317100 454702352 /nfs/dbraw/zinc/70/23/52/454702352.db2.gz XTPXHIQTQVKMPX-HXUWFJFHSA-N 1 1 332.488 3.304 20 10 EGCDMO CC[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1O ZINC000093866960 454741121 /nfs/dbraw/zinc/74/11/21/454741121.db2.gz XGONQPRIHYSTHT-UHFFFAOYSA-N 1 1 340.217 3.262 20 10 EGCDMO CCC[N@@H+](Cc1ccc(N(C)CCOC)nc1)Cc1ccccc1O ZINC000191290075 455474869 /nfs/dbraw/zinc/47/48/69/455474869.db2.gz LJBKTHOHZULLBM-UHFFFAOYSA-N 1 1 343.471 3.282 20 10 EGCDMO COC[C@H](C)n1c(C)cc(C(=O)C[N@H+](C)Cc2ccccc2O)c1C ZINC000111235721 454859044 /nfs/dbraw/zinc/85/90/44/454859044.db2.gz ZMPHALXMNMOTST-HNNXBMFYSA-N 1 1 344.455 3.333 20 10 EGCDMO C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000184997862 455484132 /nfs/dbraw/zinc/48/41/32/455484132.db2.gz KHZAXWKJTMZWQD-NWDGAFQWSA-N 1 1 339.277 3.290 20 10 EGCDMO C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)c1ccc(F)cc1O ZINC000185053708 455493251 /nfs/dbraw/zinc/49/32/51/455493251.db2.gz NEEXYOLVFXPGMV-AWEZNQCLSA-N 1 1 329.419 3.242 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)CCOc2ccccc2F)cc1OC ZINC000179620467 455061440 /nfs/dbraw/zinc/06/14/40/455061440.db2.gz MHCHACMOFJVJDV-UHFFFAOYSA-N 1 1 335.375 3.059 20 10 EGCDMO O=C(c1ccccc1F)N1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000179922192 455099958 /nfs/dbraw/zinc/09/99/58/455099958.db2.gz TUOORCWUQRKZND-UHFFFAOYSA-N 1 1 346.377 3.019 20 10 EGCDMO C[N@@H+](Cc1cc(F)ccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000179942208 455103235 /nfs/dbraw/zinc/10/32/35/455103235.db2.gz ZMYMSTBULZGAGU-UHFFFAOYSA-N 1 1 338.423 3.363 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1nnc2n1CCC2 ZINC000237541040 455193180 /nfs/dbraw/zinc/19/31/80/455193180.db2.gz NETOAJDFVFAQJV-HNNXBMFYSA-N 1 1 325.460 3.065 20 10 EGCDMO CC(C)Cn1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000182960229 455200151 /nfs/dbraw/zinc/20/01/51/455200151.db2.gz OHIBJWACHRMANV-LJQANCHMSA-N 1 1 343.471 3.426 20 10 EGCDMO Cc1ccc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(O)c1O ZINC000182446026 455515195 /nfs/dbraw/zinc/51/51/95/455515195.db2.gz CVAXFLNCPIHJFH-JKSUJKDBSA-N 1 1 346.471 3.133 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292422797 455658796 /nfs/dbraw/zinc/65/87/96/455658796.db2.gz CCEJUZOTRSJCHQ-IBGZPJMESA-N 1 1 343.496 3.323 20 10 EGCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000186126845 455699376 /nfs/dbraw/zinc/69/93/76/455699376.db2.gz QWTWWKDOELVXCJ-QSFXBCCZSA-N 1 1 332.488 3.119 20 10 EGCDMO C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000186195589 455713823 /nfs/dbraw/zinc/71/38/23/455713823.db2.gz OCUASCBSOQCXIN-KDOFPFPSSA-N 1 1 342.414 3.373 20 10 EGCDMO Cc1cc(C[N@H+]2CCCN(c3nccs3)CC2)ccc1N(C)C ZINC000293472871 455788212 /nfs/dbraw/zinc/78/82/12/455788212.db2.gz LWFMWNVEXIQADF-UHFFFAOYSA-N 1 1 330.501 3.230 20 10 EGCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000285305948 455821843 /nfs/dbraw/zinc/82/18/43/455821843.db2.gz WDWBSIJVWCTYPP-DZGCQCFKSA-N 1 1 326.234 3.298 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H]3C[C@@H](C)O)cc2)CC1 ZINC000294946712 455833586 /nfs/dbraw/zinc/83/35/86/455833586.db2.gz LRYJVKIILOJJMK-VQIMIIECSA-N 1 1 332.488 3.037 20 10 EGCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1cc(-c3ccccc3)ccc1O)CCO2 ZINC000279704477 455871226 /nfs/dbraw/zinc/87/12/26/455871226.db2.gz RPZNCTYCFWLTQS-KKSFZXQISA-N 1 1 339.435 3.439 20 10 EGCDMO CC[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000286020197 455961888 /nfs/dbraw/zinc/96/18/88/455961888.db2.gz IQGZAQBTGCJLKO-BPQIPLTHSA-N 1 1 333.403 3.057 20 10 EGCDMO CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Cl)c1[O-] ZINC000287174956 456062666 /nfs/dbraw/zinc/06/26/66/456062666.db2.gz UTZSDHJRTRZQNN-MRXNPFEDSA-N 1 1 339.911 3.112 20 10 EGCDMO CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Cl)c1[O-] ZINC000287603345 456073821 /nfs/dbraw/zinc/07/38/21/456073821.db2.gz ISWKZGAGQPDCAG-YOEHRIQHSA-N 1 1 340.895 3.323 20 10 EGCDMO CCn1ccnc1[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000281197886 456162154 /nfs/dbraw/zinc/16/21/54/456162154.db2.gz SOXMVEJVXCMGCE-CQSZACIVSA-N 1 1 329.400 3.065 20 10 EGCDMO CCn1ccnc1[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000281197886 456162160 /nfs/dbraw/zinc/16/21/60/456162160.db2.gz SOXMVEJVXCMGCE-CQSZACIVSA-N 1 1 329.400 3.065 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](OC)c2ccccc2)c1 ZINC000273427666 456230476 /nfs/dbraw/zinc/23/04/76/456230476.db2.gz UTRPYKYVEFKUAZ-ACJLOTCBSA-N 1 1 329.396 3.217 20 10 EGCDMO CCOCCC1(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)CCC1 ZINC000273501093 456234774 /nfs/dbraw/zinc/23/47/74/456234774.db2.gz QFBKOJVWUPSNAI-AWEZNQCLSA-N 1 1 335.444 3.426 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)c1 ZINC000273554474 456237335 /nfs/dbraw/zinc/23/73/35/456237335.db2.gz GOTRVHMDZKQMSV-IUUKEHGRSA-N 1 1 347.386 3.091 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)c1 ZINC000273554512 456237748 /nfs/dbraw/zinc/23/77/48/456237748.db2.gz GQTAJRBOZBCZDZ-CHWSQXEVSA-N 1 1 329.396 3.166 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1O ZINC000273689787 456243344 /nfs/dbraw/zinc/24/33/44/456243344.db2.gz BCUKKCLHLODSFO-UHFFFAOYSA-N 1 1 325.836 3.447 20 10 EGCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000282394134 456499540 /nfs/dbraw/zinc/49/95/40/456499540.db2.gz DXBRIDVNSAZJJE-KRWDZBQOSA-N 1 1 347.503 3.436 20 10 EGCDMO CCCC[N@@H+](CC(=O)N(C)c1nccs1)Cc1ccccc1O ZINC000282512772 456537923 /nfs/dbraw/zinc/53/79/23/456537923.db2.gz SDUOSEBHGAIEPT-UHFFFAOYSA-N 1 1 333.457 3.114 20 10 EGCDMO O=C1CCCN1[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000276786760 456579337 /nfs/dbraw/zinc/57/93/37/456579337.db2.gz KKUPMAPFPHHYPB-IBGZPJMESA-N 1 1 336.435 3.256 20 10 EGCDMO Oc1ccccc1C[N@@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276797881 456582919 /nfs/dbraw/zinc/58/29/19/456582919.db2.gz GCFGMVRWRAXSQR-MRXNPFEDSA-N 1 1 343.427 3.396 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCCC[C@@H]1c1nnc(C2CCOCC2)o1 ZINC000276797881 456582924 /nfs/dbraw/zinc/58/29/24/456582924.db2.gz GCFGMVRWRAXSQR-MRXNPFEDSA-N 1 1 343.427 3.396 20 10 EGCDMO CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CF)C1 ZINC000444372967 457893284 /nfs/dbraw/zinc/89/32/84/457893284.db2.gz SBXCGPVZZAUWSS-UHFFFAOYSA-N 1 1 345.462 3.272 20 10 EGCDMO O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000375463193 457938804 /nfs/dbraw/zinc/93/88/04/457938804.db2.gz ZMXLWILRXSSTPE-SFHVURJKSA-N 1 1 346.789 3.281 20 10 EGCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c(O)ccc(Cl)c1F)C2 ZINC000375463193 457938809 /nfs/dbraw/zinc/93/88/09/457938809.db2.gz ZMXLWILRXSSTPE-SFHVURJKSA-N 1 1 346.789 3.281 20 10 EGCDMO COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)c1O ZINC000362388943 458146743 /nfs/dbraw/zinc/14/67/43/458146743.db2.gz JMBKYZBMDYTTJI-MJGOQNOKSA-N 1 1 327.424 3.489 20 10 EGCDMO CC[N@@H+](CCNC(=O)c1sccc1-n1c(C)ccc1C)C1CC1 ZINC000726196633 574545090 /nfs/dbraw/zinc/54/50/90/574545090.db2.gz UXSMBYIJRIUDTO-UHFFFAOYSA-N 1 1 331.485 3.370 20 10 EGCDMO COc1cccc([C@@H](CNC(=O)C2=CC(=O)CS2)[NH+]2CCCC2)c1 ZINC000731861455 575213022 /nfs/dbraw/zinc/21/30/22/575213022.db2.gz BSFGXCLNPCHNBG-MRXNPFEDSA-N 1 1 346.452 3.029 20 10 EGCDMO C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732283712 575254693 /nfs/dbraw/zinc/25/46/93/575254693.db2.gz BXZFOWISCBAJDU-UHFFFAOYSA-N 1 1 344.480 3.438 20 10 EGCDMO C[C@@H](c1ccc(NC(=O)C2=CC(=O)CS2)cc1)[NH+]1CCOCC1 ZINC000732287955 575255462 /nfs/dbraw/zinc/25/54/62/575255462.db2.gz JTPNXRHUAMGZHR-LBPRGKRZSA-N 1 1 332.425 3.099 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)OCCC[NH+]1CCOCC1 ZINC000735893929 575732445 /nfs/dbraw/zinc/73/24/45/575732445.db2.gz JKLVVADSPOIYQJ-UHFFFAOYSA-N 1 1 348.468 3.035 20 10 EGCDMO Cc1cc(C(=O)N2CC[N@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742196251 576757246 /nfs/dbraw/zinc/75/72/46/576757246.db2.gz VMLKREDSXIWYBU-INIZCTEOSA-N 1 1 325.456 3.179 20 10 EGCDMO Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000742196251 576757247 /nfs/dbraw/zinc/75/72/47/576757247.db2.gz VMLKREDSXIWYBU-INIZCTEOSA-N 1 1 325.456 3.179 20 10 EGCDMO Cc1ccc(C)n1-c1ccsc1C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000744800373 576834667 /nfs/dbraw/zinc/83/46/67/576834667.db2.gz VTLFYAGTGLIMIK-CYBMUJFWSA-N 1 1 331.485 3.227 20 10 EGCDMO CCC[N@@H+](Cc1ccc(-c2nn[nH]n2)s1)Cc1ccccc1O ZINC000825322446 608657889 /nfs/dbraw/zinc/65/78/89/608657889.db2.gz DSZNOSCHALHNMN-UHFFFAOYSA-N 1 1 329.429 3.046 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000687952173 1298121693 /nfs/dbraw/zinc/12/16/93/1298121693.db2.gz FNBOOAZWUHLSJL-LLVKDONJSA-N 1 1 328.250 3.462 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CCOC(C)(C)[C@H]2C)c1O ZINC000687952173 1298121699 /nfs/dbraw/zinc/12/16/99/1298121699.db2.gz FNBOOAZWUHLSJL-LLVKDONJSA-N 1 1 328.250 3.462 20 10 EGCDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(Br)cc1O ZINC000691681878 1298135680 /nfs/dbraw/zinc/13/56/80/1298135680.db2.gz ZEABLWBYLOLMGP-CABCVRRESA-N 1 1 339.277 3.213 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cncc1F ZINC000877521168 1299365105 /nfs/dbraw/zinc/36/51/05/1299365105.db2.gz RWEPNZIEYOZSKJ-CYBMUJFWSA-N 1 1 347.409 3.172 20 10 EGCDMO CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572953 1299407916 /nfs/dbraw/zinc/40/79/16/1299407916.db2.gz UWYNAPHDYNJUNU-WOJBJXKFSA-N 1 1 344.499 3.037 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000769296788 1303086986 /nfs/dbraw/zinc/08/69/86/1303086986.db2.gz AJKNLIDMIJDNTJ-SFHVURJKSA-N 1 1 336.451 3.399 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@H]2C2OCCO2)cc1F ZINC000769296788 1303086993 /nfs/dbraw/zinc/08/69/93/1303086993.db2.gz AJKNLIDMIJDNTJ-SFHVURJKSA-N 1 1 336.451 3.399 20 10 EGCDMO C[C@@H](CNC(=O)N(C)Cc1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000046368289 1291535667 /nfs/dbraw/zinc/53/56/67/1291535667.db2.gz AHSKVTVBVVSKGO-SJORKVTESA-N 1 1 346.519 3.014 20 10 EGCDMO Cc1cc(C[N@@H+](C)CCN2CCCC2=O)ccc1N1CCCCC1 ZINC000827813209 1292380842 /nfs/dbraw/zinc/38/08/42/1292380842.db2.gz OIVHJWVAMDTPJT-UHFFFAOYSA-N 1 1 329.488 3.040 20 10 EGCDMO Cc1cccc(CC[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000828062166 1292425342 /nfs/dbraw/zinc/42/53/42/1292425342.db2.gz COUSZEIACVWVRW-IBGZPJMESA-N 1 1 326.440 3.319 20 10 EGCDMO Cc1cc(C[N@@H+](C)C[C@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000828625173 1292484846 /nfs/dbraw/zinc/48/48/46/1292484846.db2.gz ZOJIHGLJCFISHF-INIZCTEOSA-N 1 1 330.394 3.340 20 10 EGCDMO C[C@H]([NH2+]Cc1nnc(C2CC2)s1)c1ccc(N2CCOCC2)cc1 ZINC000828668969 1292488843 /nfs/dbraw/zinc/48/88/43/1292488843.db2.gz BEOOXKHMDICJOW-ZDUSSCGKSA-N 1 1 344.484 3.103 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCOC[C@@H]3C3CCC3)cc2)CC1 ZINC000830213582 1292686881 /nfs/dbraw/zinc/68/68/81/1292686881.db2.gz JQNQZFLYLNRIBP-OAQYLSRUSA-N 1 1 344.499 3.303 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000830564183 1292734445 /nfs/dbraw/zinc/73/44/45/1292734445.db2.gz OSPJEPVFEKXZFS-QGZVFWFLSA-N 1 1 331.504 3.256 20 10 EGCDMO CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401036 1292865921 /nfs/dbraw/zinc/86/59/21/1292865921.db2.gz UMBHCKJFYYCXCA-HOTGVXAUSA-N 1 1 348.487 3.308 20 10 EGCDMO COc1cccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)c1O ZINC000092787241 1292890764 /nfs/dbraw/zinc/89/07/64/1292890764.db2.gz NAMZAHBOHNXYKL-UHFFFAOYSA-N 1 1 346.471 3.015 20 10 EGCDMO Cc1ccc(C[N@@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000102772952 1292982090 /nfs/dbraw/zinc/98/20/90/1292982090.db2.gz DBOIHPUPKFUQLI-UHFFFAOYSA-N 1 1 345.512 3.213 20 10 EGCDMO Cc1ccc(C[N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000102772952 1292982096 /nfs/dbraw/zinc/98/20/96/1292982096.db2.gz DBOIHPUPKFUQLI-UHFFFAOYSA-N 1 1 345.512 3.213 20 10 EGCDMO CC(C)[N@@H+](C)CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108443767 1293081490 /nfs/dbraw/zinc/08/14/90/1293081490.db2.gz DKAVCIDUFGJNOP-UHFFFAOYSA-N 1 1 346.519 3.062 20 10 EGCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000834517991 1293109077 /nfs/dbraw/zinc/10/90/77/1293109077.db2.gz BTDGYFSADNWHHR-HNNXBMFYSA-N 1 1 330.501 3.307 20 10 EGCDMO C[N@H+](CCCC[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000835061409 1293195749 /nfs/dbraw/zinc/19/57/49/1293195749.db2.gz HPMZPGTZWJDLLF-UHFFFAOYSA-N 1 1 327.266 3.119 20 10 EGCDMO C[N@@H+](CCCC[NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000835061409 1293195753 /nfs/dbraw/zinc/19/57/53/1293195753.db2.gz HPMZPGTZWJDLLF-UHFFFAOYSA-N 1 1 327.266 3.119 20 10 EGCDMO CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000123864597 1293458574 /nfs/dbraw/zinc/45/85/74/1293458574.db2.gz CBWLYMBFPYRHAA-CYBMUJFWSA-N 1 1 338.879 3.420 20 10 EGCDMO COc1cccc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)c1 ZINC000124251656 1293471557 /nfs/dbraw/zinc/47/15/57/1293471557.db2.gz UGZCUQNCNGZZBF-MRXNPFEDSA-N 1 1 327.380 3.467 20 10 EGCDMO COc1cccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1O ZINC000126414238 1293533712 /nfs/dbraw/zinc/53/37/12/1293533712.db2.gz LJFVBCOQOQIMEL-QGZVFWFLSA-N 1 1 341.407 3.109 20 10 EGCDMO COc1cccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)c1O ZINC000126414238 1293533716 /nfs/dbraw/zinc/53/37/16/1293533716.db2.gz LJFVBCOQOQIMEL-QGZVFWFLSA-N 1 1 341.407 3.109 20 10 EGCDMO CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1 ZINC000131072961 1293678420 /nfs/dbraw/zinc/67/84/20/1293678420.db2.gz KJAOYSNDUKCBRU-HOCLYGCPSA-N 1 1 337.485 3.102 20 10 EGCDMO CC[NH+](CC)[C@@H]1CCN(Cc2cccc(Br)c2O)C1 ZINC000134058413 1293761126 /nfs/dbraw/zinc/76/11/26/1293761126.db2.gz DDVRYVQPGKLACL-CYBMUJFWSA-N 1 1 327.266 3.071 20 10 EGCDMO Oc1c(Br)cccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000152522380 1293972972 /nfs/dbraw/zinc/97/29/72/1293972972.db2.gz XSCLWWBEHISHSD-GFCCVEGCSA-N 1 1 328.231 3.039 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000159781611 1294246543 /nfs/dbraw/zinc/24/65/43/1294246543.db2.gz SANPBJQTHPZTIY-UHFFFAOYSA-N 1 1 343.423 3.366 20 10 EGCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000160044214 1294255823 /nfs/dbraw/zinc/25/58/23/1294255823.db2.gz ZDOBRRUTGOBATQ-KRWDZBQOSA-N 1 1 330.472 3.009 20 10 EGCDMO CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(OC)c(C)cc2O)C1 ZINC000160473591 1294268857 /nfs/dbraw/zinc/26/88/57/1294268857.db2.gz YIHHHQSGZGPJQW-OAHLLOKOSA-N 1 1 335.444 3.265 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1 ZINC000164193369 1294345876 /nfs/dbraw/zinc/34/58/76/1294345876.db2.gz ZHYUOJPIGMWDIZ-UHFFFAOYSA-N 1 1 344.480 3.419 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)CCCOc2ccc(F)cc2)cc1OC ZINC000179438229 1294794398 /nfs/dbraw/zinc/79/43/98/1294794398.db2.gz GGNPWUKMMJHQBT-UHFFFAOYSA-N 1 1 349.402 3.449 20 10 EGCDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCCC3)C1 ZINC000179439012 1294796220 /nfs/dbraw/zinc/79/62/20/1294796220.db2.gz QSKIQRSDSMXVTR-SFHVURJKSA-N 1 1 342.483 3.009 20 10 EGCDMO Cc1ccc(O)c(C[NH+]2CCC(CCCN3CCOCC3)CC2)c1 ZINC000180796386 1294916514 /nfs/dbraw/zinc/91/65/14/1294916514.db2.gz TYNUTGZARITEOK-UHFFFAOYSA-N 1 1 332.488 3.025 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000185582130 1295271260 /nfs/dbraw/zinc/27/12/60/1295271260.db2.gz YNLDSCGWWUXALS-HNNXBMFYSA-N 1 1 335.444 3.345 20 10 EGCDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc3c(cc2O)CCCC3)cn1 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C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000817938296 1319466296 /nfs/dbraw/zinc/46/62/96/1319466296.db2.gz IJRVEYUGQHCNOP-FZKQIMNGSA-N 1 1 328.416 3.011 20 10 EGCDMO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(OC)c1 ZINC000817938026 1319466427 /nfs/dbraw/zinc/46/64/27/1319466427.db2.gz BRNPMBVXZCQYNB-KUHUBIRLSA-N 1 1 343.471 3.120 20 10 EGCDMO C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000817938898 1319466960 /nfs/dbraw/zinc/46/69/60/1319466960.db2.gz VHBRYNXREVJTTI-FZKQIMNGSA-N 1 1 328.416 3.011 20 10 EGCDMO COc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)c(F)c1 ZINC000817938179 1319467056 /nfs/dbraw/zinc/46/70/56/1319467056.db2.gz GHVHPRIBIBTUCW-YJYMSZOUSA-N 1 1 331.435 3.251 20 10 EGCDMO CO[C@H](c1ccccc1)[C@@H](C)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000817940273 1319468827 /nfs/dbraw/zinc/46/88/27/1319468827.db2.gz FHXQBWWQAARFTC-XPGWFJOJSA-N 1 1 327.472 3.118 20 10 EGCDMO CCc1nc2c(s1)[C@@H](NC[C@@H]([NH3+])c1ccc(N(C)C)cc1)CCC2 ZINC000817939312 1319469176 /nfs/dbraw/zinc/46/91/76/1319469176.db2.gz BBIPHVHXZMHHAX-CVEARBPZSA-N 1 1 344.528 3.439 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCc3cc(N)ccc32)c1 ZINC000817967481 1319479951 /nfs/dbraw/zinc/47/99/51/1319479951.db2.gz JHKYLCFUYQDKCT-XIKOKIGWSA-N 1 1 340.423 3.489 20 10 EGCDMO CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc(Br)ccc1[O-] ZINC000817970309 1319481435 /nfs/dbraw/zinc/48/14/35/1319481435.db2.gz RDMZELPKRDNHIM-BZPMIXESSA-N 1 1 327.266 3.465 20 10 EGCDMO CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cc(Br)ccc1[O-] ZINC000817968022 1319481453 /nfs/dbraw/zinc/48/14/53/1319481453.db2.gz GGRRANVLUQFGEW-GXTWGEPZSA-N 1 1 327.266 3.338 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000817976191 1319483835 /nfs/dbraw/zinc/48/38/35/1319483835.db2.gz VRDQEDWGKIXVQI-ZDUSSCGKSA-N 1 1 340.423 3.388 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1[O-] ZINC000818340946 1319530983 /nfs/dbraw/zinc/53/09/83/1319530983.db2.gz SUIYASKVQDZDTN-GFCCVEGCSA-N 1 1 336.863 3.212 20 10 EGCDMO Oc1ccc(-c2ccccc2)cc1C[N@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000822503365 1320090711 /nfs/dbraw/zinc/09/07/11/1320090711.db2.gz GXKYKTDLCNJYAQ-LJQANCHMSA-N 1 1 334.423 3.488 20 10 EGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000822949853 1320140246 /nfs/dbraw/zinc/14/02/46/1320140246.db2.gz RUTAQXBESMQTFB-AWEZNQCLSA-N 1 1 343.254 3.332 20 10 EGCDMO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000822949853 1320140252 /nfs/dbraw/zinc/14/02/52/1320140252.db2.gz RUTAQXBESMQTFB-AWEZNQCLSA-N 1 1 343.254 3.332 20 10 EGCDMO CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(Br)cc2[O-])CC1 ZINC000824549035 1320264773 /nfs/dbraw/zinc/26/47/73/1320264773.db2.gz VOHRSFJQPOPYRQ-UHFFFAOYSA-N 1 1 341.293 3.459 20 10 EGCDMO Oc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000824716513 1320280130 /nfs/dbraw/zinc/28/01/30/1320280130.db2.gz WEXWNWVVRSUHLN-IIAWOOMASA-N 1 1 340.261 3.280 20 10 EGCDMO C[N@@H+](CCCO)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839072203 1320862533 /nfs/dbraw/zinc/86/25/33/1320862533.db2.gz LNQDHCXEVSQATR-UHFFFAOYSA-N 1 1 341.293 3.254 20 10 EGCDMO CN(C)c1ccc(C[N@H+]2CC[C@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000839644089 1320950618 /nfs/dbraw/zinc/95/06/18/1320950618.db2.gz NVKITSZQKJWWDO-OAQYLSRUSA-N 1 1 336.435 3.363 20 10 EGCDMO CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000840158397 1321041852 /nfs/dbraw/zinc/04/18/52/1321041852.db2.gz AOKFSIQAFCAJHQ-HXUWFJFHSA-N 1 1 342.439 3.494 20 10 EGCDMO C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)c1ccc(F)cc1O ZINC000840880332 1321168834 /nfs/dbraw/zinc/16/88/34/1321168834.db2.gz CATIGMVNBWLGTG-ZBEGNZNMSA-N 1 1 332.350 3.127 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC(C)(C)c2cccnc2)c1 ZINC000840892504 1321171968 /nfs/dbraw/zinc/17/19/68/1321171968.db2.gz VETCEKGPKDVSSB-ZDUSSCGKSA-N 1 1 328.412 3.202 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H](N2CCCCC2=O)C1 ZINC000840913708 1321176601 /nfs/dbraw/zinc/17/66/01/1321176601.db2.gz IIFYDUNLGJRVGV-IBGZPJMESA-N 1 1 329.488 3.038 20 10 EGCDMO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000840942132 1321182819 /nfs/dbraw/zinc/18/28/19/1321182819.db2.gz SYZLVPMQAZUFMF-HOCLYGCPSA-N 1 1 330.394 3.196 20 10 EGCDMO CC(C)(C[NH2+]Cc1cccc(Br)c1O)OCC1CC1 ZINC000840960013 1321187145 /nfs/dbraw/zinc/18/71/45/1321187145.db2.gz AYOWJVLRALHBHS-UHFFFAOYSA-N 1 1 328.250 3.450 20 10 EGCDMO CN(C)c1ccc([C@@H]([NH3+])CNC/C=C/c2ccc(F)cc2F)cc1 ZINC000841046224 1321209445 /nfs/dbraw/zinc/20/94/45/1321209445.db2.gz YBWVVYOLIOSPSH-RTLBZRNLSA-N 1 1 331.410 3.334 20 10 EGCDMO C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000841095382 1321217473 /nfs/dbraw/zinc/21/74/73/1321217473.db2.gz KOSQQXQPOCHXLS-AEFFLSMTSA-N 1 1 349.494 3.063 20 10 EGCDMO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(Cl)cc1O ZINC000841744585 1321305103 /nfs/dbraw/zinc/30/51/03/1321305103.db2.gz QCCHELHPASTQGZ-MCIONIFRSA-N 1 1 326.868 3.196 20 10 EGCDMO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000841947994 1321331228 /nfs/dbraw/zinc/33/12/28/1321331228.db2.gz HWKADXFPCWYGMP-TVQRCGJNSA-N 1 1 346.258 3.016 20 10 EGCDMO Cc1cc(Br)cc(CN2CCCC[C@@H]2CC[NH3+])c1O ZINC000843123801 1321473511 /nfs/dbraw/zinc/47/35/11/1321473511.db2.gz PQKGLTBBOAWMJJ-CQSZACIVSA-N 1 1 327.266 3.166 20 10 EGCDMO C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCOCC3)c(F)c1)CCOCC2 ZINC000843432297 1321518812 /nfs/dbraw/zinc/51/88/12/1321518812.db2.gz VKFLVPVQRGXWEK-INIZCTEOSA-N 1 1 348.462 3.053 20 10 EGCDMO Cn1cncc1CCC[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000846824396 1321812985 /nfs/dbraw/zinc/81/29/85/1321812985.db2.gz MSOHOKBZVCNYSY-UHFFFAOYSA-N 1 1 325.412 3.354 20 10 EGCDMO C[C@H](NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000847355854 1321865008 /nfs/dbraw/zinc/86/50/08/1321865008.db2.gz IBMXFPQEBSZFFE-KFKAGJAMSA-N 1 1 344.503 3.130 20 10 EGCDMO CCc1cccc(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000848880580 1322026989 /nfs/dbraw/zinc/02/69/89/1322026989.db2.gz QUXKIWCQGHHXPT-UHFFFAOYSA-N 1 1 340.467 3.423 20 10 EGCDMO CCc1cccc(C[N@@H+](CC)CC(=O)Nc2cccc(OC)c2)c1O ZINC000848877519 1322027387 /nfs/dbraw/zinc/02/73/87/1322027387.db2.gz SYESQCQFZZXRCN-UHFFFAOYSA-N 1 1 342.439 3.424 20 10 EGCDMO COc1cc(C[NH2+][C@@H]2CCc3cn[nH]c3C2)c(O)c(C(C)(C)C)c1 ZINC000850187006 1322204363 /nfs/dbraw/zinc/20/43/63/1322204363.db2.gz VXVNFQROEGEUBF-CQSZACIVSA-N 1 1 329.444 3.069 20 10 EGCDMO COc1cc(C[NH2+][C@H](C)Cc2cc(C)[nH]n2)c(O)c(C(C)(C)C)c1 ZINC000850196269 1322204842 /nfs/dbraw/zinc/20/48/42/1322204842.db2.gz SBPQNQXETTZLKB-GFCCVEGCSA-N 1 1 331.460 3.451 20 10 EGCDMO COc1cc(C[NH2+]Cc2nnc(C(C)(C)C)[nH]2)c(O)c(C(C)(C)C)c1 ZINC000850323047 1322228655 /nfs/dbraw/zinc/22/86/55/1322228655.db2.gz BIXPWELOSWMWAU-UHFFFAOYSA-N 1 1 346.475 3.404 20 10 EGCDMO CCCC[N@@H+](Cc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000852019226 1323133596 /nfs/dbraw/zinc/13/35/96/1323133596.db2.gz VVAFFMJNOLPOSM-BPQIPLTHSA-N 1 1 330.472 3.442 20 10 EGCDMO CC(C)n1cc([C@@H](C)[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)nn1 ZINC000924794362 1323165741 /nfs/dbraw/zinc/16/57/41/1323165741.db2.gz FFZVFCVFIRFFCD-HZPDHXFCSA-N 1 1 343.475 3.107 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCO)c1O ZINC000852456893 1323194536 /nfs/dbraw/zinc/19/45/36/1323194536.db2.gz MUTLUJPDKFAPIF-BDJLRTHQSA-N 1 1 325.836 3.231 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)c1O ZINC000852456893 1323194541 /nfs/dbraw/zinc/19/45/41/1323194541.db2.gz MUTLUJPDKFAPIF-BDJLRTHQSA-N 1 1 325.836 3.231 20 10 EGCDMO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(C)CC3)cc2)c2ncnn21 ZINC000925008322 1323243405 /nfs/dbraw/zinc/24/34/05/1323243405.db2.gz ZROCHVDJWOBGNI-CRAIPNDOSA-N 1 1 325.460 3.310 20 10 EGCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]([NH3+])c1ccc(F)cc1F ZINC000852883292 1323249630 /nfs/dbraw/zinc/24/96/30/1323249630.db2.gz XHGCVWCCAAGGHD-GOSISDBHSA-N 1 1 347.409 3.079 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)c(O)c(C(C)(C)C)c1 ZINC000853555852 1325123487 /nfs/dbraw/zinc/12/34/87/1325123487.db2.gz QUUCTOFSIXUAOD-PBHICJAKSA-N 1 1 330.472 3.099 20 10 EGCDMO Cc1cc(Br)cc([C@H](C)NCC2([NH3+])CCCC2)c1O ZINC000854223539 1325231773 /nfs/dbraw/zinc/23/17/73/1325231773.db2.gz RMSRVESNCMYWPV-NSHDSACASA-N 1 1 327.266 3.385 20 10 EGCDMO C[N@H+](Cc1cnc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000862213994 1329466160 /nfs/dbraw/zinc/46/61/60/1329466160.db2.gz AKSPIAKBKQLCMY-UHFFFAOYSA-N 1 1 327.428 3.021 20 10 EGCDMO C[N@@H+](Cc1cnc(C2CC2)o1)Cc1ccc(N2CCOCC2)cc1 ZINC000862213994 1329466163 /nfs/dbraw/zinc/46/61/63/1329466163.db2.gz AKSPIAKBKQLCMY-UHFFFAOYSA-N 1 1 327.428 3.021 20 10 EGCDMO COc1cc(C[N@H+](C)Cc2cc(F)c(N(C)C)cc2F)ccc1O ZINC000862216394 1329466856 /nfs/dbraw/zinc/46/68/56/1329466856.db2.gz VYZFEDIKRBTWSE-UHFFFAOYSA-N 1 1 336.382 3.377 20 10 EGCDMO COc1cc(C[N@@H+](C)Cc2cc(F)c(N(C)C)cc2F)ccc1O ZINC000862216394 1329466859 /nfs/dbraw/zinc/46/68/59/1329466859.db2.gz VYZFEDIKRBTWSE-UHFFFAOYSA-N 1 1 336.382 3.377 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000862237624 1329469617 /nfs/dbraw/zinc/46/96/17/1329469617.db2.gz BGAUZVTZDOTIGI-LBPRGKRZSA-N 1 1 336.233 3.188 20 10 EGCDMO CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1c(O)ccc2ccncc21 ZINC000863294084 1329544426 /nfs/dbraw/zinc/54/44/26/1329544426.db2.gz OGRUULOGTUIXLT-UHFFFAOYSA-N 1 1 345.443 3.287 20 10 EGCDMO CCCC[N@H+]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H](C)C1 ZINC000945221674 1332534825 /nfs/dbraw/zinc/53/48/25/1332534825.db2.gz KOGCVILTXUNBTC-CZUORRHYSA-N 1 1 345.447 3.089 20 10 EGCDMO Cc1cc(Br)cc(CN2CCCC[C@H](C[NH3+])C2)c1O ZINC001206633108 1371114157 /nfs/dbraw/zinc/11/41/57/1371114157.db2.gz SZGGEKBQNBSKSA-GFCCVEGCSA-N 1 1 327.266 3.024 20 10 EGCDMO CC(C)C[N@H+]1CCCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001034545193 1342606915 /nfs/dbraw/zinc/60/69/15/1342606915.db2.gz SUCGZQWKRZEJRO-MRXNPFEDSA-N 1 1 345.447 3.089 20 10 EGCDMO CC(C)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001052966892 1348777801 /nfs/dbraw/zinc/77/78/01/1348777801.db2.gz YAKVLVIBRMJMPV-OAHLLOKOSA-N 1 1 345.447 3.089 20 10 EGCDMO CC1([C@@H]2CCC[N@@H+](Cc3ccc(N4CCCC4)cc3)C2)OCCO1 ZINC001323784908 1387450306 /nfs/dbraw/zinc/45/03/06/1387450306.db2.gz HPASENPZQWWXFD-GOSISDBHSA-N 1 1 330.472 3.262 20 10 EGCDMO Cc1cc(N2CC=C(CCNC(=O)c3cccs3)CC2)nc(C)[nH+]1 ZINC001089802690 1360669322 /nfs/dbraw/zinc/66/93/22/1360669322.db2.gz TZDQSIRBAOBODD-UHFFFAOYSA-N 1 1 342.468 3.112 20 10 EGCDMO CCc1nc(N2CC=C(CCNC(=O)CCC(C)C)CC2)cc(C)[nH+]1 ZINC001089804808 1360670891 /nfs/dbraw/zinc/67/08/91/1360670891.db2.gz UZHYYQCTPZUKMY-UHFFFAOYSA-N 1 1 344.503 3.426 20 10 EGCDMO CCc1nc(N2CC=C(CCNC(=O)[C@@H](C)CC)CC2)cc(C)[nH+]1 ZINC001089811590 1360673973 /nfs/dbraw/zinc/67/39/73/1360673973.db2.gz ILYDAFKEBBNKBK-AWEZNQCLSA-N 1 1 330.476 3.036 20 10 EGCDMO CCc1cc(N2CC=C(CCNC(=O)C[C@@H](C)CC)CC2)nc(C)[nH+]1 ZINC001089829292 1360683617 /nfs/dbraw/zinc/68/36/17/1360683617.db2.gz LZDRLZRYAQDPPZ-HNNXBMFYSA-N 1 1 344.503 3.426 20 10 EGCDMO Cc1cc(N2CC=C(CCNC(=O)[C@H](C)C(C)C)CC2)nc(C)[nH+]1 ZINC001089844227 1360693871 /nfs/dbraw/zinc/69/38/71/1360693871.db2.gz WTGINYQUVUCVPB-OAHLLOKOSA-N 1 1 330.476 3.028 20 10 EGCDMO CCc1cc(N2CC=C(CCNC(=O)C[C@H]3C[C@H]3C)CC2)nc(C)[nH+]1 ZINC001089860164 1360704981 /nfs/dbraw/zinc/70/49/81/1360704981.db2.gz ZUAHZPONDWIVHR-RHSMWYFYSA-N 1 1 342.487 3.036 20 10 EGCDMO CCOC(=O)Cc1ccc2c(c1)C[N@H+](Cc1ccccc1O)CC2 ZINC001203550302 1370165831 /nfs/dbraw/zinc/16/58/31/1370165831.db2.gz QPPLJBIKLSNHFK-UHFFFAOYSA-N 1 1 325.408 3.056 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2O)C1 ZINC001203550538 1370166120 /nfs/dbraw/zinc/16/61/20/1370166120.db2.gz YNMVEFHSBPROKD-GOEBONIOSA-N 1 1 332.444 3.224 20 10 EGCDMO Oc1ccccc1C[N@H+]1CCCC2(CCN(c3ncccn3)CC2)C1 ZINC001203551507 1370166741 /nfs/dbraw/zinc/16/67/41/1370166741.db2.gz GILSLWIDYBEQOF-UHFFFAOYSA-N 1 1 338.455 3.065 20 10 EGCDMO O=C(c1ccccc1Cl)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203557068 1370168756 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EGCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc(Br)s2)c1 ZINC000714924978 1298274998 /nfs/dbraw/zinc/27/49/98/1298274998.db2.gz LLQINGARLDCKDB-QMMMGPOBSA-N 1 1 343.246 3.471 20 10 EGCDMO CC[N@@H+](Cc1cnc(CCOC)s1)Cc1ccc(N(C)C)cc1 ZINC000876522620 1298803625 /nfs/dbraw/zinc/80/36/25/1298803625.db2.gz XOTPLJLXLHOJHS-UHFFFAOYSA-N 1 1 333.501 3.420 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCC[C@H](C(F)(F)F)C3)cc2)CC1 ZINC000876536261 1298812051 /nfs/dbraw/zinc/81/20/51/1298812051.db2.gz XDGVAAYKMIULBO-HNNXBMFYSA-N 1 1 342.405 3.422 20 10 EGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876623559 1298877493 /nfs/dbraw/zinc/87/74/93/1298877493.db2.gz LLYMNKHNTUSWKT-UHFFFAOYSA-N 1 1 342.458 3.461 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000876642363 1298892281 /nfs/dbraw/zinc/89/22/81/1298892281.db2.gz YGKMJKUPNAZQNN-OAHLLOKOSA-N 1 1 334.460 3.437 20 10 EGCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCOc2ccccc2F)c1O ZINC000748051367 1298919525 /nfs/dbraw/zinc/91/95/25/1298919525.db2.gz 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Cc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)c(N2CCCC2)n1 ZINC000883085312 1302240067 /nfs/dbraw/zinc/24/00/67/1302240067.db2.gz OCPNPQZGNISIEK-UHFFFAOYSA-N 1 1 333.382 3.264 20 10 EGCDMO COCCCOc1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000883117015 1302258239 /nfs/dbraw/zinc/25/82/39/1302258239.db2.gz NRGJATLIWUWAMQ-UHFFFAOYSA-N 1 1 337.366 3.376 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+]CC3=Cc4ccccc4OC3)cc2)CC1 ZINC000883283713 1302361204 /nfs/dbraw/zinc/36/12/04/1302361204.db2.gz PQRMQSDNGNTCHN-UHFFFAOYSA-N 1 1 349.478 3.004 20 10 EGCDMO CCC[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)cc1)c1cccnc1 ZINC000883290196 1302369074 /nfs/dbraw/zinc/36/90/74/1302369074.db2.gz NTXPEGKWIHAWNT-OAQYLSRUSA-N 1 1 338.499 3.464 20 10 EGCDMO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)C1(C)C ZINC000766089751 1302386007 /nfs/dbraw/zinc/38/60/07/1302386007.db2.gz QSYUSCWXNLPOCS-WOJBJXKFSA-N 1 1 345.531 3.120 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2COc3ccccc3O2)cc1F ZINC000768179568 1302847850 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CN(C)c1ccc(C[N@@H+](Cc2cc3c(cc2O)OCO3)C2CC2)cc1 ZINC000768256320 1302869648 /nfs/dbraw/zinc/86/96/48/1302869648.db2.gz BYKLZEMHFCCIGR-UHFFFAOYSA-N 1 1 340.423 3.352 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1CCc1ccccc1)[C@H](O)CO2 ZINC000768442151 1302903695 /nfs/dbraw/zinc/90/36/95/1302903695.db2.gz JRVJFEPIUYELCM-FXAWDEMLSA-N 1 1 339.435 3.415 20 10 EGCDMO C[N@@H+](Cc1ccc(Cl)s1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441931 1302903913 /nfs/dbraw/zinc/90/39/13/1302903913.db2.gz MCOQJNDYHIXXPI-ZDUSSCGKSA-N 1 1 325.817 3.165 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Cc3ccc(F)cc3)C1)[C@H](O)CO2 ZINC000768445838 1302907975 /nfs/dbraw/zinc/90/79/75/1302907975.db2.gz INACFCXPJCRWMM-AUUYWEPGSA-N 1 1 343.398 3.022 20 10 EGCDMO Cc1cccc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OC[C@@H]3O)c1 ZINC000768444322 1302908084 /nfs/dbraw/zinc/90/80/84/1302908084.db2.gz XMOZKLBWMNRMLJ-HKUYNNGSSA-N 1 1 325.408 3.464 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)CCCC3)CCN1CC(F)(F)F ZINC000768466257 1302914049 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COc1cccc(CN2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000769465376 1303117977 /nfs/dbraw/zinc/11/79/77/1303117977.db2.gz GVTWKAIXXUQWIL-IAGOWNOFSA-N 1 1 340.467 3.496 20 10 EGCDMO COc1cccc(CN2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c1O ZINC000769465376 1303117981 /nfs/dbraw/zinc/11/79/81/1303117981.db2.gz GVTWKAIXXUQWIL-IAGOWNOFSA-N 1 1 340.467 3.496 20 10 EGCDMO CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120200 /nfs/dbraw/zinc/12/02/00/1303120200.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 1 1 341.839 3.258 20 10 EGCDMO CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120208 /nfs/dbraw/zinc/12/02/08/1303120208.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 1 1 341.839 3.258 20 10 EGCDMO CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C ZINC000769470264 1303120211 /nfs/dbraw/zinc/12/02/11/1303120211.db2.gz KDBVWHINADDOHE-RISCZKNCSA-N 1 1 341.839 3.258 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(O)c1 ZINC000769485223 1303123905 /nfs/dbraw/zinc/12/39/05/1303123905.db2.gz LYBZZKACBVKHPI-OAQYLSRUSA-N 1 1 339.435 3.465 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3nnc(C)[nH]3)C2)cc1 ZINC000770356580 1303252820 /nfs/dbraw/zinc/25/28/20/1303252820.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 1 327.476 3.339 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1 ZINC000770356580 1303252823 /nfs/dbraw/zinc/25/28/23/1303252823.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 1 327.476 3.339 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3nc(C)n[nH]3)C2)cc1 ZINC000770356580 1303252830 /nfs/dbraw/zinc/25/28/30/1303252830.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 1 327.476 3.339 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000770356580 1303252834 /nfs/dbraw/zinc/25/28/34/1303252834.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 1 327.476 3.339 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@H](c3n[nH]c(C)n3)C2)cc1 ZINC000770356580 1303252838 /nfs/dbraw/zinc/25/28/38/1303252838.db2.gz YKPZUGSDILWIPA-QGZVFWFLSA-N 1 1 327.476 3.339 20 10 EGCDMO C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000770372659 1303255653 /nfs/dbraw/zinc/25/56/53/1303255653.db2.gz DWLVMAWKAYTADO-WBVHZDCISA-N 1 1 347.503 3.488 20 10 EGCDMO CCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000770374399 1303256153 /nfs/dbraw/zinc/25/61/53/1303256153.db2.gz NFZIUJZTNLNLDU-HNAYVOBHSA-N 1 1 330.472 3.240 20 10 EGCDMO CCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c(O)c1 ZINC000770374399 1303256160 /nfs/dbraw/zinc/25/61/60/1303256160.db2.gz NFZIUJZTNLNLDU-HNAYVOBHSA-N 1 1 330.472 3.240 20 10 EGCDMO C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1c(O)cccc1F ZINC000886500153 1303477898 /nfs/dbraw/zinc/47/78/98/1303477898.db2.gz IFFYAUBUUVLIFX-LBPRGKRZSA-N 1 1 332.375 3.080 20 10 EGCDMO CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)c1c(O)cccc1F ZINC000886515367 1303483493 /nfs/dbraw/zinc/48/34/93/1303483493.db2.gz ACDAQPFFASCILD-AWEZNQCLSA-N 1 1 330.403 3.231 20 10 EGCDMO C[C@H]([NH2+]Cc1ccccc1N1CCOCC1)c1c(O)cccc1F ZINC000886515618 1303483777 /nfs/dbraw/zinc/48/37/77/1303483777.db2.gz SFRVGAKSXPLBFA-AWEZNQCLSA-N 1 1 330.403 3.219 20 10 EGCDMO C[C@@H]([NH2+]CCCN(C(=O)C1CCC1)C1CC1)c1c(O)cccc1F ZINC000886545714 1303494340 /nfs/dbraw/zinc/49/43/40/1303494340.db2.gz QNFRMHOJHJAWAQ-CYBMUJFWSA-N 1 1 334.435 3.363 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccncc1OC[C@H]1CCOC1)c1c(O)cccc1F ZINC000886611226 1303523133 /nfs/dbraw/zinc/52/31/33/1303523133.db2.gz WUJNXUVIMIJTPV-KGLIPLIRSA-N 1 1 346.402 3.192 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000773735048 1303732379 /nfs/dbraw/zinc/73/23/79/1303732379.db2.gz XBHIRMPNPHQPIZ-UHFFFAOYSA-N 1 1 337.467 3.406 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1 ZINC000773758751 1303736359 /nfs/dbraw/zinc/73/63/59/1303736359.db2.gz XYOSFNMDNBHTCV-LJQANCHMSA-N 1 1 329.488 3.120 20 10 EGCDMO CCN(C)c1ccc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)cc1 ZINC000773814947 1303740449 /nfs/dbraw/zinc/74/04/49/1303740449.db2.gz XDSJNAKIXMCUGV-IBGZPJMESA-N 1 1 346.496 3.018 20 10 EGCDMO CCN(C)c1ccc(C[N@@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000773819817 1303741993 /nfs/dbraw/zinc/74/19/93/1303741993.db2.gz RDWSDPNVXFXADT-CQSZACIVSA-N 1 1 329.410 3.211 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCN(CC(F)(F)F)[C@H](C)C2)cc1 ZINC000773819817 1303741999 /nfs/dbraw/zinc/74/19/99/1303741999.db2.gz RDWSDPNVXFXADT-CQSZACIVSA-N 1 1 329.410 3.211 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)cc1 ZINC000773852056 1303747135 /nfs/dbraw/zinc/74/71/35/1303747135.db2.gz WPYAIROQSGIYFY-OAQYLSRUSA-N 1 1 335.451 3.239 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000773887934 1303751646 /nfs/dbraw/zinc/75/16/46/1303751646.db2.gz JTMYTCHWJSAXCN-HOCLYGCPSA-N 1 1 330.394 3.278 20 10 EGCDMO C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774167221 1303782760 /nfs/dbraw/zinc/78/27/60/1303782760.db2.gz VXUZYZDUSWCROE-MNOVXSKESA-N 1 1 333.259 3.070 20 10 EGCDMO COC1CCN(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000774220715 1303788798 /nfs/dbraw/zinc/78/87/98/1303788798.db2.gz ZPCRVGIOJMLRER-LLVKDONJSA-N 1 1 347.286 3.460 20 10 EGCDMO C[C@H]([NH2+]Cc1ccnc(N(C)C)n1)c1cc(Cl)c(Cl)cc1O ZINC000774272186 1303792891 /nfs/dbraw/zinc/79/28/91/1303792891.db2.gz NWWPUXCHTRVERB-VIFPVBQESA-N 1 1 341.242 3.406 20 10 EGCDMO COc1c(O)c(C[NH2+][C@@H]2CCc3c2cccc3C)ccc1[N+](=O)[O-] ZINC000775014667 1303889522 /nfs/dbraw/zinc/88/95/22/1303889522.db2.gz GSBQNUCOQTYRMU-OAHLLOKOSA-N 1 1 328.368 3.395 20 10 EGCDMO CCC[N@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1O ZINC000775609974 1303993593 /nfs/dbraw/zinc/99/35/93/1303993593.db2.gz HPIMWRGWOULOJH-UHFFFAOYSA-N 1 1 336.439 3.444 20 10 EGCDMO CCC[N@@H+](Cc1cn(Cc2ccccc2)nn1)Cc1ccccc1O ZINC000775609974 1303993597 /nfs/dbraw/zinc/99/35/97/1303993597.db2.gz HPIMWRGWOULOJH-UHFFFAOYSA-N 1 1 336.439 3.444 20 10 EGCDMO Cc1ccc(C[N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000775675945 1304013066 /nfs/dbraw/zinc/01/30/66/1304013066.db2.gz HFFHKMJEXFZDSE-UHFFFAOYSA-N 1 1 329.513 3.440 20 10 EGCDMO Cc1ccc(C[N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000775675945 1304013070 /nfs/dbraw/zinc/01/30/70/1304013070.db2.gz HFFHKMJEXFZDSE-UHFFFAOYSA-N 1 1 329.513 3.440 20 10 EGCDMO Oc1ccc(F)cc1C[NH+]1CCN(C/C=C/c2ccccc2)CC1 ZINC000778988263 1304514753 /nfs/dbraw/zinc/51/47/53/1304514753.db2.gz DBYGIHJJACBKNV-QPJJXVBHSA-N 1 1 326.415 3.362 20 10 EGCDMO CCOc1ccc(CN2CC[NH+](Cc3cc(F)ccc3O)CC2)cc1 ZINC000778995338 1304516410 /nfs/dbraw/zinc/51/64/10/1304516410.db2.gz VGWBCFLXRDXXMQ-UHFFFAOYSA-N 1 1 344.430 3.248 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000779002687 1304517082 /nfs/dbraw/zinc/51/70/82/1304517082.db2.gz MAURXTQOVJLFRE-ZDUSSCGKSA-N 1 1 338.423 3.268 20 10 EGCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000779002687 1304517085 /nfs/dbraw/zinc/51/70/85/1304517085.db2.gz MAURXTQOVJLFRE-ZDUSSCGKSA-N 1 1 338.423 3.268 20 10 EGCDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](C)Cc1cc(F)ccc1O ZINC000779013923 1304518369 /nfs/dbraw/zinc/51/83/69/1304518369.db2.gz NNBICWXICAFYOX-QGZVFWFLSA-N 1 1 331.387 3.138 20 10 EGCDMO CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cc(F)ccc1O ZINC000779013923 1304518371 /nfs/dbraw/zinc/51/83/71/1304518371.db2.gz NNBICWXICAFYOX-QGZVFWFLSA-N 1 1 331.387 3.138 20 10 EGCDMO C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1Cc1cc(F)ccc1O ZINC000779034233 1304520354 /nfs/dbraw/zinc/52/03/54/1304520354.db2.gz QRJITVVBXFTRCL-QWHCGFSZSA-N 1 1 338.423 3.266 20 10 EGCDMO COc1cc(C[N@H+]2CCC[C@](OC)(C(F)(F)F)C2)c(O)cc1C ZINC000780493843 1304700055 /nfs/dbraw/zinc/70/00/55/1304700055.db2.gz KEQLOBYRALHCJK-OAHLLOKOSA-N 1 1 333.350 3.253 20 10 EGCDMO Cc1nc(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)n[nH]1 ZINC000780740518 1304732694 /nfs/dbraw/zinc/73/26/94/1304732694.db2.gz QRSUIVGJGQRKOM-HNNXBMFYSA-N 1 1 327.476 3.387 20 10 EGCDMO Cc1nnc(CC[NH2+][C@@H](C)c2ccc(N3CCCCCC3)cc2)[nH]1 ZINC000780740518 1304732699 /nfs/dbraw/zinc/73/26/99/1304732699.db2.gz QRSUIVGJGQRKOM-HNNXBMFYSA-N 1 1 327.476 3.387 20 10 EGCDMO COC1CCC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000891526991 1305080229 /nfs/dbraw/zinc/08/02/29/1305080229.db2.gz SFPPYCHRHINZSN-UHFFFAOYSA-N 1 1 332.488 3.160 20 10 EGCDMO COc1ccc(CN2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1OC ZINC000891735766 1305152017 /nfs/dbraw/zinc/15/20/17/1305152017.db2.gz NXBWJBVVSFDYAA-UXLLHSPISA-N 1 1 348.487 3.247 20 10 EGCDMO CCC[N@@H+](Cc1ccc(OC)c(OC)c1O)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000892101948 1305250356 /nfs/dbraw/zinc/25/03/56/1305250356.db2.gz PAQRNFCJVOUJHN-ZMYBRWDISA-N 1 1 349.471 3.435 20 10 EGCDMO COc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c(O)c1OC ZINC000892223227 1305284290 /nfs/dbraw/zinc/28/42/90/1305284290.db2.gz GUUAKLFNGQUUQM-LSDHHAIUSA-N 1 1 347.411 3.091 20 10 EGCDMO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000785989158 1305487302 /nfs/dbraw/zinc/48/73/02/1305487302.db2.gz SQEQGGNJYMOJAS-JTNHKYCSSA-N 1 1 328.250 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/nfs/dbraw/zinc/13/65/30/1309136530.db2.gz URUIHWTWADDFCK-QGZVFWFLSA-N 1 1 339.769 3.417 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000792174518 1309136534 /nfs/dbraw/zinc/13/65/34/1309136534.db2.gz URUIHWTWADDFCK-QGZVFWFLSA-N 1 1 339.769 3.417 20 10 EGCDMO CCOC(=O)C1(C[NH2+]Cc2c(O)ccc(Cl)c2F)CCCC1 ZINC000792194423 1309141714 /nfs/dbraw/zinc/14/17/14/1309141714.db2.gz CUCCKQJLGFVSJT-UHFFFAOYSA-N 1 1 329.799 3.398 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)CCn2cccn2)c(C(F)(F)F)c1 ZINC000792825062 1309237537 /nfs/dbraw/zinc/23/75/37/1309237537.db2.gz QWYGZQNFBDSYHK-UHFFFAOYSA-N 1 1 326.366 3.100 20 10 EGCDMO OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc3ccccc3c2O)C1 ZINC000895837685 1309547757 /nfs/dbraw/zinc/54/77/57/1309547757.db2.gz WMHCQFCJUHITOC-INIZCTEOSA-N 1 1 325.330 3.292 20 10 EGCDMO COc1cc(C[N@H+]2C[C@@H](C)O[C@]3(CCOC3)C2)c(O)c(C(C)(C)C)c1 ZINC000794703711 1309578362 /nfs/dbraw/zinc/57/83/62/1309578362.db2.gz LSODHJBRUKPHGH-JLTOFOAXSA-N 1 1 349.471 3.078 20 10 EGCDMO CC[C@@H]([NH2+]C[C@@H](O)c1cc(OC)ccc1OC)c1ccc(F)cc1O ZINC000796682897 1310064571 /nfs/dbraw/zinc/06/45/71/1310064571.db2.gz MGPDMNXVLGCPBM-SJLPKXTDSA-N 1 1 349.402 3.323 20 10 EGCDMO Oc1cc2c(cc1CNC[C@H]1CCC[N@H+]1C1CCCCC1)OCO2 ZINC000797889445 1310264233 /nfs/dbraw/zinc/26/42/33/1310264233.db2.gz MNFFRGWQVMPLTN-MRXNPFEDSA-N 1 1 332.444 3.008 20 10 EGCDMO Oc1cc2c(cc1C[NH2+]C[C@H]1CCCN1C1CCCCC1)OCO2 ZINC000797889445 1310264237 /nfs/dbraw/zinc/26/42/37/1310264237.db2.gz MNFFRGWQVMPLTN-MRXNPFEDSA-N 1 1 332.444 3.008 20 10 EGCDMO CN(C)c1ccc([C@@H](C[NH2+]Cc2cnc(C3CC3)o2)N(C)C)cc1 ZINC000898447412 1310739163 /nfs/dbraw/zinc/73/91/63/1310739163.db2.gz JMXWRRSYGUOOCR-GOSISDBHSA-N 1 1 328.460 3.011 20 10 EGCDMO CN(C)c1ccc([C@H](C[NH2+]Cc2csc(C3CC3)n2)N(C)C)cc1 ZINC000898452054 1310741828 /nfs/dbraw/zinc/74/18/28/1310741828.db2.gz SUMCENOQIKGASL-SFHVURJKSA-N 1 1 344.528 3.479 20 10 EGCDMO COc1cc(Br)cc(C[N@@H+]2CC[C@H](OC)[C@H](C)C2)c1O ZINC000824815030 1320287259 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Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](N)C1 ZINC000841103784 1321218863 /nfs/dbraw/zinc/21/88/63/1321218863.db2.gz KTWVBENACKUOLA-AZUAARDMSA-N 1 1 327.447 3.127 20 10 EGCDMO C[C@@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)CC[C@H]1[NH3+] ZINC000843051438 1321462148 /nfs/dbraw/zinc/46/21/48/1321462148.db2.gz HTVFUPYJQYXUKL-DNVCBOLYSA-N 1 1 326.440 3.140 20 10 EGCDMO CN(C)c1ccc(CN2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C(F)(F)F)c1 ZINC000843058960 1321464345 /nfs/dbraw/zinc/46/43/45/1321464345.db2.gz ANTPAASSIUYVGW-NUTKFTJISA-N 1 1 341.421 3.331 20 10 EGCDMO COc1ccc(N(C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000844354317 1321592608 /nfs/dbraw/zinc/59/26/08/1321592608.db2.gz BEUYUMUFRWUHEG-UHFFFAOYSA-N 1 1 326.440 3.164 20 10 EGCDMO COC(=O)c1cnc([C@H](C)[NH2+][C@H](C)c2cccc(OC)c2O)s1 ZINC000846171370 1321773649 /nfs/dbraw/zinc/77/36/49/1321773649.db2.gz FZAKGHBNZAUGDJ-ZJUUUORDSA-N 1 1 336.413 3.056 20 10 EGCDMO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000848910993 1322043598 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C[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H]1CO ZINC000857062314 1325565381 /nfs/dbraw/zinc/56/53/81/1325565381.db2.gz ZYUMTBGGUBNBKS-NVXWUHKLSA-N 1 1 347.459 3.035 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000862251040 1329471396 /nfs/dbraw/zinc/47/13/96/1329471396.db2.gz ZCUGXGITJFKKCL-RYUDHWBXSA-N 1 1 326.234 3.013 20 10 EGCDMO CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862379041 1329480349 /nfs/dbraw/zinc/48/03/49/1329480349.db2.gz GXGIQGUNOCCUON-GOSISDBHSA-N 1 1 326.431 3.261 20 10 EGCDMO C[C@@H]1C[NH+](Cc2ccc(N3CCN(C)CC3)cc2)C[C@@H](C)C1(F)F ZINC000862438404 1329487079 /nfs/dbraw/zinc/48/70/79/1329487079.db2.gz AOHCXGMJZUEQRH-HZPDHXFCSA-N 1 1 337.458 3.162 20 10 EGCDMO C[C@@H](C[N@@H+](C)Cc1cc(Cl)ccc1O)NC(=O)OC(C)(C)C ZINC000862540404 1329494214 /nfs/dbraw/zinc/49/42/14/1329494214.db2.gz DYPJONQWAKHGNO-NSHDSACASA-N 1 1 328.840 3.391 20 10 EGCDMO Cc1cc(C[N@H+]2CC[C@@H](C3OCCO3)C2)ccc1N1CCCCC1 ZINC000931998059 1329777497 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EGCDMO CCc1nc(N2CC=C(CCNC(=O)C3(CC)CC3)CC2)cc(C)[nH+]1 ZINC001089858704 1360703132 /nfs/dbraw/zinc/70/31/32/1360703132.db2.gz AGQRJHXMSHLQOW-UHFFFAOYSA-N 1 1 342.487 3.180 20 10 EGCDMO C[C@H](N[C@@H]1CCCC[C@H]1[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC001323991638 1387505342 /nfs/dbraw/zinc/50/53/42/1387505342.db2.gz RAWRJBLZDMFRIE-QKYXUNIQSA-N 1 1 349.494 3.186 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(C(N)=O)cc2)cc1F ZINC001324441100 1387624329 /nfs/dbraw/zinc/62/43/29/1387624329.db2.gz GSWHHWOSMZPKRF-UHFFFAOYSA-N 1 1 343.446 3.403 20 10 EGCDMO CC[C@@H](C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001194368619 1368246436 /nfs/dbraw/zinc/24/64/36/1368246436.db2.gz VMBJTOWWAPWZLD-CJNGLKHVSA-N 1 1 345.447 3.041 20 10 EGCDMO COc1cccc(C[N@@H+](C)Cc2ncccc2C(F)(F)F)c1O ZINC001203589030 1370180731 /nfs/dbraw/zinc/18/07/31/1370180731.db2.gz BDZPKDNGTIGVQR-UHFFFAOYSA-N 1 1 326.318 3.447 20 10 EGCDMO CCCc1noc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)n1 ZINC001203596629 1370182780 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EGCDMO CN1CCN(c2ccc(C[N@H+]3CCC[C@H]4CCC[C@@H]43)cc2F)CC1 ZINC001116440216 1370911378 /nfs/dbraw/zinc/91/13/78/1370911378.db2.gz BIUHJFWABZKTHE-MJGOQNOKSA-N 1 1 331.479 3.342 20 10 EGCDMO C[C@@H]([NH2+]Cc1ccccc1N1CCN(C)CC1)c1cc(F)ccc1O ZINC001116585133 1370941122 /nfs/dbraw/zinc/94/11/22/1370941122.db2.gz RPKXIDIJXGHNTR-OAHLLOKOSA-N 1 1 343.446 3.134 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCC[C@@H]1C[NH3+] ZINC001206034785 1370945339 /nfs/dbraw/zinc/94/53/39/1370945339.db2.gz AAUCQCBDKQJQCI-HUUCEWRRSA-N 1 1 330.472 3.383 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2ccc3c(c2[O-])C=CC(C)(C)O3)CCC[C@@H]1C[NH3+] ZINC001206034785 1370945342 /nfs/dbraw/zinc/94/53/42/1370945342.db2.gz AAUCQCBDKQJQCI-HUUCEWRRSA-N 1 1 330.472 3.383 20 10 EGCDMO C[C@@H](c1ccccc1)[N@H+](Cc1ccccc1O)C[C@H]1CN(C)C(=O)O1 ZINC001117707038 1371066558 /nfs/dbraw/zinc/06/65/58/1371066558.db2.gz VOFWNNDAJDXSRC-MAUKXSAKSA-N 1 1 340.423 3.406 20 10 EGCDMO Cc1cccc(CN2CC[N@H+]3C[C@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001231593308 1376273063 /nfs/dbraw/zinc/27/30/63/1376273063.db2.gz PGSWEBVOTPKVPF-AZUAARDMSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cccc(C[N@@H+]2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001231593308 1376273067 /nfs/dbraw/zinc/27/30/67/1376273067.db2.gz PGSWEBVOTPKVPF-AZUAARDMSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cccc(C[N@H+]2CCN3C[C@H](Oc4ccccc4)C[C@H]3C2)c1O ZINC001231593308 1376273070 /nfs/dbraw/zinc/27/30/70/1376273070.db2.gz PGSWEBVOTPKVPF-AZUAARDMSA-N 1 1 338.451 3.038 20 10 EGCDMO Cc1cc(C)c(C[N@@H+]2CC[C@@]3(CCCN3C(=O)C(C)C)C2)c(O)c1 ZINC001231846032 1376325691 /nfs/dbraw/zinc/32/56/91/1376325691.db2.gz YWOBMTHXAQDXHZ-FQEVSTJZSA-N 1 1 330.472 3.232 20 10 EGCDMO COc1ccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3O)C2)nc1 ZINC001231870822 1376330312 /nfs/dbraw/zinc/33/03/12/1376330312.db2.gz AVDXLZAHSULBFZ-HNNXBMFYSA-N 1 1 348.830 3.411 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H](NC(=O)NC(C)C)C2)cc1Cl ZINC001231870829 1376331013 /nfs/dbraw/zinc/33/10/13/1376331013.db2.gz BADYPRZVJGORFA-AWEZNQCLSA-N 1 1 339.867 3.026 20 10 EGCDMO CC(=O)N1CCCC[C@]12CC[N@@H+](Cc1cc(Cl)c(C)cc1O)C2 ZINC001231868776 1376331519 /nfs/dbraw/zinc/33/15/19/1376331519.db2.gz GKFGGXVALCCJMT-GOSISDBHSA-N 1 1 336.863 3.331 20 10 EGCDMO Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3CCCO[C@H]3C2)c1O ZINC001233108404 1376570232 /nfs/dbraw/zinc/57/02/32/1376570232.db2.gz MCNCXZPXWNGASS-WFASDCNBSA-N 1 1 340.261 3.464 20 10 EGCDMO COC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1O)C1CCCC1 ZINC001233289839 1376606380 /nfs/dbraw/zinc/60/63/80/1376606380.db2.gz RZGVWMGRJJNCKU-UHFFFAOYSA-N 1 1 341.835 3.362 20 10 EGCDMO Cc1ccnc(O[C@H]2CCC[N@H+](Cc3c(O)ccc(F)c3F)C2)c1 ZINC001233336634 1376621139 /nfs/dbraw/zinc/62/11/39/1376621139.db2.gz UAHURKDGKDPDLE-ZDUSSCGKSA-N 1 1 334.366 3.417 20 10 EGCDMO Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3c(O)ccc(F)c3F)C2)c1 ZINC001233336634 1376621143 /nfs/dbraw/zinc/62/11/43/1376621143.db2.gz UAHURKDGKDPDLE-ZDUSSCGKSA-N 1 1 334.366 3.417 20 10 EGCDMO COC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cc2O)C1 ZINC001233451935 1376649730 /nfs/dbraw/zinc/64/97/30/1376649730.db2.gz DYDWSZVGKSIHBN-ZYHUDNBSSA-N 1 1 331.334 3.185 20 10 EGCDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233485069 1376653138 /nfs/dbraw/zinc/65/31/38/1376653138.db2.gz HTGVDFBTGOOUOP-OAHLLOKOSA-N 1 1 329.396 3.155 20 10 EGCDMO Oc1ccc2cc(Br)ccc2c1CN1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235254574 1376863530 /nfs/dbraw/zinc/86/35/30/1376863530.db2.gz CGJFROVHSYZNPU-BLLLJJGKSA-N 1 1 347.256 3.102 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+]2CCN[C@@H](c3ccccc3)C2)c1O ZINC001235858465 1376905375 /nfs/dbraw/zinc/90/53/75/1376905375.db2.gz XZIRUANCAFNMJI-MRXNPFEDSA-N 1 1 332.831 3.201 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCN[C@@H](c3ccccc3)C2)c1O ZINC001235858465 1376905390 /nfs/dbraw/zinc/90/53/90/1376905390.db2.gz XZIRUANCAFNMJI-MRXNPFEDSA-N 1 1 332.831 3.201 20 10 EGCDMO COCCN(Cc1ccc(-n2c(C)ccc2C)cc1)C1CC[NH2+]CC1 ZINC001235946954 1376922970 /nfs/dbraw/zinc/92/29/70/1376922970.db2.gz SYTSUMNNYCRQLN-UHFFFAOYSA-N 1 1 341.499 3.295 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236528123 1376956843 /nfs/dbraw/zinc/95/68/43/1376956843.db2.gz JMZXDAMIXMMNAZ-CYBMUJFWSA-N 1 1 327.266 3.035 20 10 EGCDMO Cc1cc(Br)c([O-])c(C[N@H+](C(C)C)[C@@H]2CC[NH2+]C2)c1 ZINC001236528123 1376956845 /nfs/dbraw/zinc/95/68/45/1376956845.db2.gz JMZXDAMIXMMNAZ-CYBMUJFWSA-N 1 1 327.266 3.035 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@](C)(O)[C@H](C)C2)c1 ZINC001236662573 1376959612 /nfs/dbraw/zinc/95/96/12/1376959612.db2.gz FKBWHYXUMNVVNS-WBMJQRKESA-N 1 1 342.277 3.446 20 10 EGCDMO Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@](C)(O)[C@H](C)C2)c1 ZINC001236662573 1376959615 /nfs/dbraw/zinc/95/96/15/1376959615.db2.gz FKBWHYXUMNVVNS-WBMJQRKESA-N 1 1 342.277 3.446 20 10 EGCDMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2O)C1 ZINC001237140373 1376976643 /nfs/dbraw/zinc/97/66/43/1376976643.db2.gz KLGOBTSDARBKAK-LLVKDONJSA-N 1 1 331.334 3.186 20 10 EGCDMO O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(C(F)(F)F)ccc1O)CC2 ZINC001237140362 1376976666 /nfs/dbraw/zinc/97/66/66/1376976666.db2.gz KDHKQKCBXALDMJ-UHFFFAOYSA-N 1 1 338.329 3.112 20 10 EGCDMO COc1cc(C[N@H+]2CC[C@H](OCc3ccccc3)C2)c(O)c(OC)c1 ZINC001237676879 1376982686 /nfs/dbraw/zinc/98/26/86/1376982686.db2.gz RXWKSRAHQKYHGU-KRWDZBQOSA-N 1 1 343.423 3.201 20 10 EGCDMO Cc1cc(N(C)C)[nH+]cc1-c1ccn(Cc2ccccc2F)c(=O)c1 ZINC001241251292 1377020034 /nfs/dbraw/zinc/02/00/34/1377020034.db2.gz GPGFAACWOWCOJY-UHFFFAOYSA-N 1 1 337.398 3.472 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1c(O)cccc1F ZINC001137832682 1377623866 /nfs/dbraw/zinc/62/38/66/1377623866.db2.gz DIHYOGNKPOVMTA-GJZGRUSLSA-N 1 1 336.407 3.115 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001137832682 1377623867 /nfs/dbraw/zinc/62/38/67/1377623867.db2.gz DIHYOGNKPOVMTA-GJZGRUSLSA-N 1 1 336.407 3.115 20 10 EGCDMO Oc1cccc(F)c1C[N@@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001137835316 1377625484 /nfs/dbraw/zinc/62/54/84/1377625484.db2.gz CMVICENLQQIACP-BBRMVZONSA-N 1 1 347.459 3.084 20 10 EGCDMO Oc1cccc(F)c1C[N@H+]1CC[C@H]2[C@@H](CCN2Cc2nccs2)C1 ZINC001137835316 1377625489 /nfs/dbraw/zinc/62/54/89/1377625489.db2.gz CMVICENLQQIACP-BBRMVZONSA-N 1 1 347.459 3.084 20 10 EGCDMO Cc1cc(C[NH+]2CCN([C@H]3CCOC3)CC2)c(C)n1-c1ccccc1 ZINC001137854336 1377631461 /nfs/dbraw/zinc/63/14/61/1377631461.db2.gz RSEFFCCVMZIWJR-NRFANRHFSA-N 1 1 339.483 3.001 20 10 EGCDMO Oc1c(F)cccc1C[NH+]1CCC(Oc2cc(Cl)ncn2)CC1 ZINC001138127505 1377681256 /nfs/dbraw/zinc/68/12/56/1377681256.db2.gz GXDYKZYFCHHBGV-UHFFFAOYSA-N 1 1 337.782 3.018 20 10 EGCDMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)CCS1 ZINC001138222281 1377690836 /nfs/dbraw/zinc/69/08/36/1377690836.db2.gz PQHGUWYEDBUGRU-SFHVURJKSA-N 1 1 348.512 3.157 20 10 EGCDMO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c(C)n(C)c3ccccc13)C2 ZINC001138257996 1377694795 /nfs/dbraw/zinc/69/47/95/1377694795.db2.gz HLLKCNKZBJGLFH-JYJNAYRXSA-N 1 1 326.440 3.260 20 10 EGCDMO CCCCOC(=O)[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCCN3C)C1 ZINC001138359104 1377709144 /nfs/dbraw/zinc/70/91/44/1377709144.db2.gz KTYWEKZPHXWALQ-SFHVURJKSA-N 1 1 330.472 3.234 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@@](C)(C(=O)OC)C2)c(OC)c1 ZINC001138390468 1377714617 /nfs/dbraw/zinc/71/46/17/1377714617.db2.gz YDBJGPHGUURRBI-HXUWFJFHSA-N 1 1 348.487 3.317 20 10 EGCDMO Oc1cc2c(cc1O)C[N@H+](Cc1cnn(-c3ccccc3)c1)CCC2 ZINC001138603134 1377750949 /nfs/dbraw/zinc/75/09/49/1377750949.db2.gz FMAJNRHLADPLLA-UHFFFAOYSA-N 1 1 335.407 3.232 20 10 EGCDMO Oc1cc2c(cc1O)C[N@@H+](Cc1cnn(-c3ccccc3)c1)CCC2 ZINC001138603134 1377750955 /nfs/dbraw/zinc/75/09/55/1377750955.db2.gz FMAJNRHLADPLLA-UHFFFAOYSA-N 1 1 335.407 3.232 20 10 EGCDMO CCOC(=O)COc1ccccc1C[N@@H+](CC)Cc1ccccc1O ZINC001139135917 1377836400 /nfs/dbraw/zinc/83/64/00/1377836400.db2.gz NAKCFQCJIGCGTK-UHFFFAOYSA-N 1 1 343.423 3.356 20 10 EGCDMO COc1cc(CN2CCc3c(C)cccc3C2)cc(C[NH+](C)C)c1O ZINC001139253007 1377857864 /nfs/dbraw/zinc/85/78/64/1377857864.db2.gz IIDZNHASUCWMKP-UHFFFAOYSA-N 1 1 340.467 3.329 20 10 EGCDMO Cc1cc(C[N@H+]2CCCN(c3ccc(F)cn3)CC2)ccc1N(C)C ZINC001139670003 1377930672 /nfs/dbraw/zinc/93/06/72/1377930672.db2.gz UOKQNRUZHSTDPR-UHFFFAOYSA-N 1 1 342.462 3.307 20 10 EGCDMO [O-]c1c(F)ccc(F)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001139683345 1377933779 /nfs/dbraw/zinc/93/37/79/1377933779.db2.gz LTEBWSLNCMZDMB-HZPDHXFCSA-N 1 1 344.405 3.234 20 10 EGCDMO CC[N@@H+](Cc1cc(F)ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140058972 1377998275 /nfs/dbraw/zinc/99/82/75/1377998275.db2.gz ROYMMUGONAFFHA-HNNXBMFYSA-N 1 1 338.423 3.363 20 10 EGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1)c1cccc(F)c1 ZINC001140060500 1377998598 /nfs/dbraw/zinc/99/85/98/1377998598.db2.gz YVMPGBOTGLFYRF-QGZVFWFLSA-N 1 1 346.377 3.065 20 10 EGCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1cc(F)ccc1O ZINC001140060414 1377998607 /nfs/dbraw/zinc/99/86/07/1377998607.db2.gz VDYMAGZGKYODPA-WFASDCNBSA-N 1 1 338.423 3.409 20 10 EGCDMO Oc1ccc(F)cc1C[N@@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001140062647 1377999039 /nfs/dbraw/zinc/99/90/39/1377999039.db2.gz COVVLBRXKKHDNQ-DFQSSKMNSA-N 1 1 349.446 3.470 20 10 EGCDMO Oc1ccc(F)cc1C[N@H+]1CCO[C@H]2[C@H](OCC3CCCC3)CC[C@@H]21 ZINC001140062647 1377999044 /nfs/dbraw/zinc/99/90/44/1377999044.db2.gz COVVLBRXKKHDNQ-DFQSSKMNSA-N 1 1 349.446 3.470 20 10 EGCDMO Cc1ccc(C)c(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c1O ZINC001140178803 1378026386 /nfs/dbraw/zinc/02/63/86/1378026386.db2.gz YAMOPWDLFHHENQ-OAHLLOKOSA-N 1 1 334.460 3.450 20 10 EGCDMO COc1ccnc(O[C@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)c1 ZINC001140184739 1378027966 /nfs/dbraw/zinc/02/79/66/1378027966.db2.gz GKCKKEBFXAAZMD-INIZCTEOSA-N 1 1 328.412 3.066 20 10 EGCDMO COc1ccnc(O[C@@H]2CC[N@@H+](Cc3c(C)ccc(C)c3O)C2)c1 ZINC001140184740 1378028170 /nfs/dbraw/zinc/02/81/70/1378028170.db2.gz GKCKKEBFXAAZMD-MRXNPFEDSA-N 1 1 328.412 3.066 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466447 1378069089 /nfs/dbraw/zinc/06/90/89/1378069089.db2.gz GACLTSMNPQYZDA-UHFFFAOYSA-N 1 1 331.799 3.391 20 10 EGCDMO COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(Cl)cc1O)CC2 ZINC001140466447 1378069090 /nfs/dbraw/zinc/06/90/90/1378069090.db2.gz GACLTSMNPQYZDA-UHFFFAOYSA-N 1 1 331.799 3.391 20 10 EGCDMO COc1ccc(CC[N@H+](Cc2cc(C)ccc2O)C[C@@H](C)O)cc1 ZINC001140617463 1378098699 /nfs/dbraw/zinc/09/86/99/1378098699.db2.gz PLPBOPRBEOJYJP-MRXNPFEDSA-N 1 1 329.440 3.135 20 10 EGCDMO Cc1ccc(O)c(C[N@H+]2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 ZINC001140619887 1378099481 /nfs/dbraw/zinc/09/94/81/1378099481.db2.gz TXLHRAOMZKIQMW-UHFFFAOYSA-N 1 1 332.444 3.143 20 10 EGCDMO Fc1cc(N2CCOCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140660483 1378108164 /nfs/dbraw/zinc/10/81/64/1378108164.db2.gz TTWBSEJGIJEGCZ-GASCZTMLSA-N 1 1 340.389 3.139 20 10 EGCDMO Fc1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@H](c2ccccn2)C1 ZINC001140661375 1378108744 /nfs/dbraw/zinc/10/87/44/1378108744.db2.gz CCNZFVDUDRBRKE-QGZVFWFLSA-N 1 1 341.430 3.047 20 10 EGCDMO Cc1cccc(C[N@H+]2CC[C@]3(CCN(C4CCCC4)C3=O)C2)c1O ZINC001273769349 1378110467 /nfs/dbraw/zinc/11/04/67/1378110467.db2.gz IRVZJZMJOXTMES-FQEVSTJZSA-N 1 1 328.456 3.068 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC001140857075 1378159849 /nfs/dbraw/zinc/15/98/49/1378159849.db2.gz LKUWTRMTEKWQGF-HXUWFJFHSA-N 1 1 341.455 3.207 20 10 EGCDMO Cc1ccc(C[N@@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c(O)c1 ZINC001140952362 1378190050 /nfs/dbraw/zinc/19/00/50/1378190050.db2.gz OYJAISHOCIQLHA-QGZVFWFLSA-N 1 1 343.471 3.206 20 10 EGCDMO Cc1ccc(C[N@H+]2Cc3ncn(C)c3[C@@H](COCC(C)C)C2)c(O)c1 ZINC001140952362 1378190052 /nfs/dbraw/zinc/19/00/52/1378190052.db2.gz OYJAISHOCIQLHA-QGZVFWFLSA-N 1 1 343.471 3.206 20 10 EGCDMO Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c(O)c1 ZINC001140954305 1378191430 /nfs/dbraw/zinc/19/14/30/1378191430.db2.gz PHTCEKAEBBBJBJ-MRXNPFEDSA-N 1 1 342.414 3.234 20 10 EGCDMO COc1cc(O)c(C[N@@H+]2CCC(=O)[C@H](C)C23CCCC3)c(OC)c1 ZINC001141032954 1378214234 /nfs/dbraw/zinc/21/42/34/1378214234.db2.gz UVSQSBKHNLRRAS-ZDUSSCGKSA-N 1 1 333.428 3.133 20 10 EGCDMO COc1cc(O)c(C[N@H+]2CCC(=O)[C@H](C)C23CCCC3)c(OC)c1 ZINC001141032954 1378214239 /nfs/dbraw/zinc/21/42/39/1378214239.db2.gz UVSQSBKHNLRRAS-ZDUSSCGKSA-N 1 1 333.428 3.133 20 10 EGCDMO CN1CCC([N@@H+](Cc2ccc3c(c2)OCCN3C)C2CCCC2)CC1 ZINC001141146080 1378248534 /nfs/dbraw/zinc/24/85/34/1378248534.db2.gz JTLPMJRCPOZBQO-UHFFFAOYSA-N 1 1 343.515 3.354 20 10 EGCDMO CN1CCOc2cc(C[N@@H+](C)CCCC(=O)c3cccnc3)ccc21 ZINC001141143535 1378248885 /nfs/dbraw/zinc/24/88/85/1378248885.db2.gz CUSCOHXJBUWLCU-UHFFFAOYSA-N 1 1 339.439 3.005 20 10 EGCDMO COc1ccccc1[C@H](O)C[N@@H+](Cc1cc(O)ccc1O)C(C)C ZINC001141160764 1378254552 /nfs/dbraw/zinc/25/45/52/1378254552.db2.gz HRFJHQUFMKGTIH-GOSISDBHSA-N 1 1 331.412 3.050 20 10 EGCDMO C[N@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001142512929 1378451270 /nfs/dbraw/zinc/45/12/70/1378451270.db2.gz QBLPVVGRJPZWCI-UHFFFAOYSA-N 1 1 330.375 3.017 20 10 EGCDMO C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1O ZINC001142512929 1378451273 /nfs/dbraw/zinc/45/12/73/1378451273.db2.gz QBLPVVGRJPZWCI-UHFFFAOYSA-N 1 1 330.375 3.017 20 10 EGCDMO CC(=O)N1CCCCC12CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142520468 1378452208 /nfs/dbraw/zinc/45/22/08/1378452208.db2.gz KASQEAXZKOVOPY-UHFFFAOYSA-N 1 1 338.398 3.037 20 10 EGCDMO Oc1cc(F)c(F)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524953 1378453396 /nfs/dbraw/zinc/45/33/96/1378453396.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 1 1 344.405 3.234 20 10 EGCDMO CCOc1ccc(N2CC[NH+](Cc3ccc4nccn4c3)CC2)cc1 ZINC001143035596 1378531772 /nfs/dbraw/zinc/53/17/72/1378531772.db2.gz NLSOKCCDGAWLFV-UHFFFAOYSA-N 1 1 336.439 3.055 20 10 EGCDMO CC(C)(C)c1cccc(C[N@H+]2C[C@H](CO)[C@@H](C(F)(F)F)C2)c1O ZINC001143104054 1378540973 /nfs/dbraw/zinc/54/09/73/1378540973.db2.gz OSSAUVKKWWJLDV-OCCSQVGLSA-N 1 1 331.378 3.292 20 10 EGCDMO CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(C(C)(C)C)c1O ZINC001143104912 1378541057 /nfs/dbraw/zinc/54/10/57/1378541057.db2.gz HNTZJPKIGSFVQJ-HXUWFJFHSA-N 1 1 330.472 3.277 20 10 EGCDMO CN1C(=O)CC[C@H]2C[N@H+](Cc3cccc(C(C)(C)C)c3O)CC[C@H]21 ZINC001143117124 1378542911 /nfs/dbraw/zinc/54/29/11/1378542911.db2.gz USKMSFKYFAHGAT-WMLDXEAASA-N 1 1 330.472 3.132 20 10 EGCDMO Cc1ccccc1O[C@@H]1CCC[N@@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144509448 1378739870 /nfs/dbraw/zinc/73/98/70/1378739870.db2.gz WVAXJPYTSOJTPN-OAHLLOKOSA-N 1 1 329.396 3.155 20 10 EGCDMO Oc1ccc(Br)cc1CNc1nc(NC2CC2)cc[nH+]1 ZINC001160013483 1381968755 /nfs/dbraw/zinc/96/87/55/1381968755.db2.gz SBKCENCOXNWBQR-UHFFFAOYSA-N 1 1 335.205 3.131 20 10 EGCDMO CCOC(=O)C(=Cc1cc(C)c(C)[nH+]c1N[C@@H](C)CCO)N=[N+]=[N-] ZINC001165866739 1383353468 /nfs/dbraw/zinc/35/34/68/1383353468.db2.gz JZCNHOGDQPHYHL-HOXUKUGESA-N 1 1 333.392 3.096 20 10 EGCDMO C[N@H+]1CCC=C(Nc2ccc(OCCOc3ccc(N)cc3)cc2)C1 ZINC001175578748 1385337847 /nfs/dbraw/zinc/33/78/47/1385337847.db2.gz OQKSOYHXBDIAOI-UHFFFAOYSA-N 1 1 339.439 3.358 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC001320760449 1386711024 /nfs/dbraw/zinc/71/10/24/1386711024.db2.gz VYDJZMBFZOGGML-IKGGRYGDSA-N 1 1 332.488 3.339 20 10 EGCDMO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC001320760450 1386711149 /nfs/dbraw/zinc/71/11/49/1386711149.db2.gz VYDJZMBFZOGGML-IXDOHACOSA-N 1 1 332.488 3.339 20 10 EGCDMO Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC001321683377 1386955970 /nfs/dbraw/zinc/95/59/70/1386955970.db2.gz QGSXFCJBAMQDPD-LJQANCHMSA-N 1 1 338.451 3.372 20 10 EGCDMO Nc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC001336287223 1389059838 /nfs/dbraw/zinc/05/98/38/1389059838.db2.gz YDWQNVYSALCVGP-QGZVFWFLSA-N 1 1 334.366 3.444 20 10 EGCDMO Nc1ccc(C[N@H+]2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)cc1 ZINC001336287223 1389059841 /nfs/dbraw/zinc/05/98/41/1389059841.db2.gz YDWQNVYSALCVGP-QGZVFWFLSA-N 1 1 334.366 3.444 20 10 EGCDMO C[C@H]([NH2+][C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)c1c(O)cccc1F ZINC001337586375 1389392496 /nfs/dbraw/zinc/39/24/96/1389392496.db2.gz RNVYXKWURRBYTB-PVTKRXDGSA-N 1 1 336.407 3.047 20 10 EGCDMO Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)cc1 ZINC001341341657 1390474110 /nfs/dbraw/zinc/47/41/10/1390474110.db2.gz CPPKOCAADYLAOF-SFHVURJKSA-N 1 1 327.403 3.401 20 10 EGCDMO Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)cc1 ZINC001341341657 1390474111 /nfs/dbraw/zinc/47/41/11/1390474111.db2.gz CPPKOCAADYLAOF-SFHVURJKSA-N 1 1 327.403 3.401 20 10 EGCDMO C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113329675 454923381 /nfs/dbraw/zinc/92/33/81/454923381.db2.gz ZEBUTYUEZVLSIC-OKILXGFUSA-N 1 1 326.868 3.025 20 10 EGCDMO C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c([O-])cccc2Cl)C[C@H](C)O1 ZINC000113329675 454923383 /nfs/dbraw/zinc/92/33/83/454923383.db2.gz ZEBUTYUEZVLSIC-OKILXGFUSA-N 1 1 326.868 3.025 20 10 EGCDMO Oc1ccccc1C[N@@H+](C[C@H](O)c1ccccc1F)C[C@H]1CCCO1 ZINC000264730252 455271723 /nfs/dbraw/zinc/27/17/23/455271723.db2.gz QWOJCCYEAYPPHI-UZLBHIALSA-N 1 1 345.414 3.246 20 10 EGCDMO CC(C)N(C(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000070976191 454191154 /nfs/dbraw/zinc/19/11/54/454191154.db2.gz ROPNMEPDDKNRLK-GOSISDBHSA-N 1 1 348.487 3.019 20 10 EGCDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078524149 454268914 /nfs/dbraw/zinc/26/89/14/454268914.db2.gz CAJYMHQSZQTZLB-GOSISDBHSA-N 1 1 346.519 3.014 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC3(CCOCC3)C2)cc1F ZINC000091895137 454485086 /nfs/dbraw/zinc/48/50/86/454485086.db2.gz MWBFDGKTDPAYQZ-UHFFFAOYSA-N 1 1 336.451 3.053 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC3(CCOCC3)C2)cc1F ZINC000091895137 454485091 /nfs/dbraw/zinc/48/50/91/454485091.db2.gz MWBFDGKTDPAYQZ-UHFFFAOYSA-N 1 1 336.451 3.053 20 10 EGCDMO c1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(N4CCCCC4)cc3)C2)nn1 ZINC000092069748 454514821 /nfs/dbraw/zinc/51/48/21/454514821.db2.gz BWBWDJGODYJAKF-LJQANCHMSA-N 1 1 339.487 3.181 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCC)C2)c(O)c1 ZINC000092708539 454616217 /nfs/dbraw/zinc/61/62/17/454616217.db2.gz LFULHDLTAMCISP-INIZCTEOSA-N 1 1 334.460 3.062 20 10 EGCDMO CS(=O)(=O)CC[N@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000093816434 454737942 /nfs/dbraw/zinc/73/79/42/454737942.db2.gz MCUIRUDOVAIKPB-UHFFFAOYSA-N 1 1 345.464 3.068 20 10 EGCDMO CS(=O)(=O)CC[N@@H+](Cc1cc(-c2ccccc2)ccc1O)C1CC1 ZINC000093816434 454737947 /nfs/dbraw/zinc/73/79/47/454737947.db2.gz MCUIRUDOVAIKPB-UHFFFAOYSA-N 1 1 345.464 3.068 20 10 EGCDMO COc1cccc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000093889628 454744419 /nfs/dbraw/zinc/74/44/19/454744419.db2.gz VHDACGZBHQZVCV-ZAMGYDSWSA-N 1 1 333.453 3.331 20 10 EGCDMO CCc1noc(C)c1C[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000163068048 454820918 /nfs/dbraw/zinc/82/09/18/454820918.db2.gz CMRNKGYWJQIBOQ-UHFFFAOYSA-N 1 1 329.444 3.266 20 10 EGCDMO CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000177172412 454832404 /nfs/dbraw/zinc/83/24/04/454832404.db2.gz XUPIASMJPMUBNE-ZDUSSCGKSA-N 1 1 325.836 3.497 20 10 EGCDMO CN(C)c1ccc(CNCC2([NH+]3CCCCC3)CCOCC2)cc1F ZINC000113341524 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CN(C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2O)C1)C(=O)OC(C)(C)C ZINC000180075557 455127806 /nfs/dbraw/zinc/12/78/06/455127806.db2.gz CFBVOKGGQKVMIK-ZDUSSCGKSA-N 1 1 338.423 3.220 20 10 EGCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000191308629 455475899 /nfs/dbraw/zinc/47/58/99/455475899.db2.gz YIBOHKJBMZXYKQ-SNVBAGLBSA-N 1 1 339.773 3.087 20 10 EGCDMO CCOCCCN1CC[C@H]([NH2+][C@@H](C)c2cc(C)ccc2O)[C@H](C)C1 ZINC000185461109 455560677 /nfs/dbraw/zinc/56/06/77/455560677.db2.gz OFZSCEKHRUMHMI-AOIWGVFYSA-N 1 1 334.504 3.488 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CC[S@@](=O)C1 ZINC000277569233 455601829 /nfs/dbraw/zinc/60/18/29/455601829.db2.gz SMLLWYOSWKZCJL-IQMFZBJNSA-N 1 1 329.465 3.260 20 10 EGCDMO C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1ccc(F)cc1O ZINC000186019237 455676865 /nfs/dbraw/zinc/67/68/65/455676865.db2.gz NKBAXTAGCHXVJP-OAHLLOKOSA-N 1 1 336.451 3.217 20 10 EGCDMO C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1=O)c1ccc(F)cc1O ZINC000186195553 455714525 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C[C@@H]([NH2+]Cc1ccc(N2CCOC2=O)cc1)c1ccc(F)cc1O ZINC000186526033 455786923 /nfs/dbraw/zinc/78/69/23/455786923.db2.gz XCOHMDNAFPPNDZ-GFCCVEGCSA-N 1 1 330.359 3.339 20 10 EGCDMO COc1cc(Cl)cc(C[N@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000294127939 455806239 /nfs/dbraw/zinc/80/62/39/455806239.db2.gz UGBUQUJUBNEDQG-QGZVFWFLSA-N 1 1 327.852 3.285 20 10 EGCDMO CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000294527554 455818277 /nfs/dbraw/zinc/81/82/77/455818277.db2.gz GSNYCCIZRNXRGM-INIZCTEOSA-N 1 1 343.496 3.082 20 10 EGCDMO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)cc1 ZINC000278876204 455851566 /nfs/dbraw/zinc/85/15/66/455851566.db2.gz NJEOAGYBEOSCBC-NSHDSACASA-N 1 1 332.356 3.168 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(F)cc1O ZINC000285730524 455905359 /nfs/dbraw/zinc/90/53/59/455905359.db2.gz QPFWIAWGLUYFEH-BXUZGUMPSA-N 1 1 334.357 3.456 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@@]2(CCOC2)O1 ZINC000280325443 455947104 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CC(C)(C)c1cc(O)c(O)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000730806349 575022473 /nfs/dbraw/zinc/02/24/73/575022473.db2.gz HOGCUVXVFDIKNT-KRWDZBQOSA-N 1 1 332.488 3.456 20 10 EGCDMO C[N@H+]1CCC[C@@H](CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000731041570 575045999 /nfs/dbraw/zinc/04/59/99/575045999.db2.gz HFQZEWYRDVUDJN-KRWDZBQOSA-N 1 1 346.475 3.017 20 10 EGCDMO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000731844193 575211984 /nfs/dbraw/zinc/21/19/84/575211984.db2.gz BZKXPGBYJZOVFL-UHFFFAOYSA-N 1 1 336.391 3.287 20 10 EGCDMO CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccccc1O)C1CCCC1 ZINC000732204143 575244062 /nfs/dbraw/zinc/24/40/62/575244062.db2.gz DPUWKLAWQNLFHF-UHFFFAOYSA-N 1 1 344.377 3.158 20 10 EGCDMO CC(C)NC(=O)C[N@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000732500213 575272620 /nfs/dbraw/zinc/27/26/20/575272620.db2.gz ITBOEINWQQAYQT-UHFFFAOYSA-N 1 1 326.396 3.248 20 10 EGCDMO CC(C)NC(=O)C[N@@H+](C)Cc1cc2oc3ccccc3c2cc1O ZINC000732500213 575272621 /nfs/dbraw/zinc/27/26/21/575272621.db2.gz 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CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ncccc3C)C2)c1O ZINC001203617143 1370189756 /nfs/dbraw/zinc/18/97/56/1370189756.db2.gz JJECKGFXMVJNGD-MRXNPFEDSA-N 1 1 328.412 3.148 20 10 EGCDMO COc1ccc(C[N@H+]2CC[C@H](Oc3cc(F)ccc3F)C2)c(O)c1 ZINC001203631037 1370194199 /nfs/dbraw/zinc/19/41/99/1370194199.db2.gz YNCDUFDOXJJNLK-HNNXBMFYSA-N 1 1 335.350 3.332 20 10 EGCDMO COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cc(Cl)ccc1O)C2 ZINC001203656783 1370203549 /nfs/dbraw/zinc/20/35/49/1370203549.db2.gz XQYFWLUWHNOKEG-RDTXWAMCSA-N 1 1 339.863 3.453 20 10 EGCDMO CC[N@@H+]([C@H]1CCOC1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC001203664208 1370207036 /nfs/dbraw/zinc/20/70/36/1370207036.db2.gz QYWAINOVVHHMEY-KRWDZBQOSA-N 1 1 338.879 3.121 20 10 EGCDMO CCOC(=O)C[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC001203665211 1370207998 /nfs/dbraw/zinc/20/79/98/1370207998.db2.gz BMSXEPOZNZKMTF-QWHCGFSZSA-N 1 1 325.836 3.457 20 10 EGCDMO COc1ccccc1[C@H](O)C[N@@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203880748 1370298177 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/nfs/dbraw/zinc/44/98/09/1378449809.db2.gz HWOWYXZVZGNKLC-UHFFFAOYSA-N 1 1 334.366 3.356 20 10 EGCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517733 1378452394 /nfs/dbraw/zinc/45/23/94/1378452394.db2.gz YDRNQYQSUPMSTE-UGSOOPFHSA-N 1 1 341.398 3.078 20 10 EGCDMO COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1O)C2 ZINC001142517733 1378452395 /nfs/dbraw/zinc/45/23/95/1378452395.db2.gz YDRNQYQSUPMSTE-UGSOOPFHSA-N 1 1 341.398 3.078 20 10 EGCDMO C[N@@H+](Cc1cn2c(cccc2Br)n1)Cc1ccccc1O ZINC001143088135 1378536272 /nfs/dbraw/zinc/53/62/72/1378536272.db2.gz HUNCEOFVJSESPL-UHFFFAOYSA-N 1 1 346.228 3.434 20 10 EGCDMO CCN1CC[C@@]2(C[N@@H+](Cc3cccc(C(C)(C)C)c3O)C[C@@H]2C)C1=O ZINC001143105438 1378540985 /nfs/dbraw/zinc/54/09/85/1378540985.db2.gz WCBUVOMCEDZETO-BTYIYWSLSA-N 1 1 344.499 3.380 20 10 EGCDMO C[C@@]1(O)CCCC[N@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298951 1378713186 /nfs/dbraw/zinc/71/31/86/1378713186.db2.gz MNQBDNZWFMHAPI-CQSZACIVSA-N 1 1 332.213 3.031 20 10 EGCDMO C[C@@]1(O)CCCC[N@@H+](Cc2cc(Br)c(F)cc2O)C1 ZINC001144298951 1378713190 /nfs/dbraw/zinc/71/31/90/1378713190.db2.gz MNQBDNZWFMHAPI-CQSZACIVSA-N 1 1 332.213 3.031 20 10 EGCDMO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1nc(Cl)nc2c1CNCC2 ZINC001158728215 1381371150 /nfs/dbraw/zinc/37/11/50/1381371150.db2.gz CSNIFLZIUZYZBV-CQSZACIVSA-N 1 1 343.862 3.016 20 10 EGCDMO Cc1cc2cc[nH]c2c(NCc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC001167427041 1383630869 /nfs/dbraw/zinc/63/08/69/1383630869.db2.gz VDNOVDKPPWOKLQ-UHFFFAOYSA-N 1 1 335.455 3.235 20 10 EGCDMO Oc1cc(O)c(CCNc2[nH+]ccc3c4c([nH]c32)CCCC4)cc1O ZINC001168008418 1383795789 /nfs/dbraw/zinc/79/57/89/1383795789.db2.gz AAOWRRWBNWTKCR-UHFFFAOYSA-N 1 1 339.395 3.213 20 10 EGCDMO C[N@@H+](Cc1ccc(N2CCCC2)cc1)[C@H]1CCCC2(C1)OCCO2 ZINC001169947882 1384202266 /nfs/dbraw/zinc/20/22/66/1384202266.db2.gz GBSFCYJVUNHNIO-IBGZPJMESA-N 1 1 330.472 3.404 20 10 EGCDMO CC(C)(C)OC(=O)Nc1cc(NCc2ccc(O)c(O)c2)cc[nH+]1 ZINC001169994912 1384213948 /nfs/dbraw/zinc/21/39/48/1384213948.db2.gz MBYWDKFBBBVWIR-UHFFFAOYSA-N 1 1 331.372 3.452 20 10 EGCDMO Nc1ccc(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC001335728629 1388912713 /nfs/dbraw/zinc/91/27/13/1388912713.db2.gz BOAUZZBUVDBZGL-UHFFFAOYSA-N 1 1 344.503 3.066 20 10 EGCDMO CC(C)[N@H+]1CC[C@H](NC(=O)/C=C/c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC001180130314 1386706390 /nfs/dbraw/zinc/70/63/90/1386706390.db2.gz HLXAQDISGOCKBJ-WGYRVSROSA-N 1 1 329.488 3.001 20 10 EGCDMO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)C1 ZINC001339197310 1389938663 /nfs/dbraw/zinc/93/86/63/1389938663.db2.gz XZUAVTQAVJGVGI-MXWKQRLJSA-N 1 1 331.334 3.403 20 10 EGCDMO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@H+](C)Cc1cc(F)c(F)cc1O ZINC001575512760 949141458 /nfs/dbraw/zinc/14/14/58/949141458.db2.gz PAKLZAHLJUUPOV-SNVBAGLBSA-N 1 1 345.353 3.044 20 10 EGCDMO C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001575512760 949141472 /nfs/dbraw/zinc/14/14/72/949141472.db2.gz PAKLZAHLJUUPOV-SNVBAGLBSA-N 1 1 345.353 3.044 20 10 EGCDMO CCOc1cccc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664058 313380905 /nfs/dbraw/zinc/38/09/05/313380905.db2.gz CKBRETIEUIQDOL-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664058 313380911 /nfs/dbraw/zinc/38/09/11/313380911.db2.gz CKBRETIEUIQDOL-UHFFFAOYSA-N 1 1 325.412 3.017 20 10 EGCDMO C[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)c1ccc(F)cc1O ZINC000186517738 455784974 /nfs/dbraw/zinc/78/49/74/455784974.db2.gz RQBNYQLKHOPLJR-LBPRGKRZSA-N 1 1 326.412 3.487 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](CCCOCC(F)(F)F)CC2)cc1 ZINC000053611753 453891132 /nfs/dbraw/zinc/89/11/32/453891132.db2.gz IVOGNHIGGPXUIJ-UHFFFAOYSA-N 1 1 346.393 3.176 20 10 EGCDMO Oc1ccc2ccccc2c1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000054518608 453933301 /nfs/dbraw/zinc/93/33/01/453933301.db2.gz AVMNJKBGJIMLFO-UHFFFAOYSA-N 1 1 340.467 3.090 20 10 EGCDMO CCOC(=O)CCCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265837468 455390594 /nfs/dbraw/zinc/39/05/94/455390594.db2.gz VOZOINGCTMFODP-KRWDZBQOSA-N 1 1 335.444 3.107 20 10 EGCDMO CC[C@H]([NH2+]C[C@H](C(C)C)N1CCN(C)CC1)c1ccc(N(C)C)cc1 ZINC000132482612 454342810 /nfs/dbraw/zinc/34/28/10/454342810.db2.gz ODQGSVDZGJXSSZ-LEWJYISDSA-N 1 1 346.563 3.065 20 10 EGCDMO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(CC)CC1)c1ccc(N(C)C)cc1 ZINC000121247980 454411124 /nfs/dbraw/zinc/41/11/24/454411124.db2.gz KTPGEKUCXZTZPE-GHTZIAJQSA-N 1 1 346.563 3.067 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c(O)c1 ZINC000092706440 454614371 /nfs/dbraw/zinc/61/43/71/454614371.db2.gz RRZPIAAMFAQTKL-INIZCTEOSA-N 1 1 348.487 3.165 20 10 EGCDMO COc1ccc(N2CCC[N@@H+](Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000066155626 454661138 /nfs/dbraw/zinc/66/11/38/454661138.db2.gz FSBXKQMYXAPBBG-UHFFFAOYSA-N 1 1 348.878 3.103 20 10 EGCDMO CCOc1ccc(-c2noc(C[N@H+](C)Cc3ccccc3O)n2)cc1 ZINC000109769704 454835842 /nfs/dbraw/zinc/83/58/42/454835842.db2.gz KYQLRJOLENGESZ-UHFFFAOYSA-N 1 1 339.395 3.473 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000144239263 454847665 /nfs/dbraw/zinc/84/76/65/454847665.db2.gz CEHACDWJPXAHPW-IBGZPJMESA-N 1 1 325.456 3.014 20 10 EGCDMO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000178409037 454953343 /nfs/dbraw/zinc/95/33/43/454953343.db2.gz GHLJLHKKPSLKPT-GOSISDBHSA-N 1 1 331.504 3.050 20 10 EGCDMO C[C@@H]([NH2+]CCCN1CCCCC1)c1ccc(N2CCOCC2)cc1 ZINC000178409037 454953348 /nfs/dbraw/zinc/95/33/48/454953348.db2.gz GHLJLHKKPSLKPT-GOSISDBHSA-N 1 1 331.504 3.050 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cn(C)nc2-c2cccnc2)cc1 ZINC000155184717 454971758 /nfs/dbraw/zinc/97/17/58/454971758.db2.gz YDCQGFOXEQGYCB-UHFFFAOYSA-N 1 1 335.455 3.180 20 10 EGCDMO O=C(CCc1ccccc1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179563830 455058865 /nfs/dbraw/zinc/05/88/65/455058865.db2.gz MLSVORFDFQZZCH-UHFFFAOYSA-N 1 1 338.451 3.059 20 10 EGCDMO CCOC[C@@H](O)C[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000179645393 455063836 /nfs/dbraw/zinc/06/38/36/455063836.db2.gz FVGQFASJMQBKLG-LPHOPBHVSA-N 1 1 329.440 3.353 20 10 EGCDMO CC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1cccc(C)c1O ZINC000183373355 455284028 /nfs/dbraw/zinc/28/40/28/455284028.db2.gz NTUIRMFWDWJBJH-UHFFFAOYSA-N 1 1 328.412 3.170 20 10 EGCDMO COc1cc(Cl)cc(C[N@@H+](C)[C@@H]2CCCc3c2cnn3C)c1O ZINC000184701519 455431276 /nfs/dbraw/zinc/43/12/76/455431276.db2.gz KDCPEJJHKKRRMI-CQSZACIVSA-N 1 1 335.835 3.297 20 10 EGCDMO Nc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000160433137 455458198 /nfs/dbraw/zinc/45/81/98/455458198.db2.gz JEYUYGFYVPUFLF-HNNXBMFYSA-N 1 1 327.403 3.259 20 10 EGCDMO COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3cc(F)ccc3O)n2)c1 ZINC000191562777 455497301 /nfs/dbraw/zinc/49/73/01/455497301.db2.gz OWKCNWXAKOOQFN-LLVKDONJSA-N 1 1 343.358 3.441 20 10 EGCDMO CCN(C)c1ccc([C@H](C)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000247944418 455657987 /nfs/dbraw/zinc/65/79/87/455657987.db2.gz DIVOBOGTHULUJX-ZWKOTPCHSA-N 1 1 345.531 3.294 20 10 EGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC000247944418 455657992 /nfs/dbraw/zinc/65/79/92/455657992.db2.gz DIVOBOGTHULUJX-ZWKOTPCHSA-N 1 1 345.531 3.294 20 10 EGCDMO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)ccc1N(C)C ZINC000293003634 455770513 /nfs/dbraw/zinc/77/05/13/455770513.db2.gz HAJLGEVABZZYNZ-GOSISDBHSA-N 1 1 331.504 3.045 20 10 EGCDMO C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Cl)c(Cl)cc1O ZINC000293572728 455791384 /nfs/dbraw/zinc/79/13/84/455791384.db2.gz BLHRTSXIJQGOAB-VIFPVBQESA-N 1 1 329.231 3.111 20 10 EGCDMO CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295956690 455864115 /nfs/dbraw/zinc/86/41/15/455864115.db2.gz JALFMMAFTZQLPT-FQEVSTJZSA-N 1 1 332.488 3.039 20 10 EGCDMO COC(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000279640751 455869760 /nfs/dbraw/zinc/86/97/60/455869760.db2.gz LSQMYFUDRCABDX-UHFFFAOYSA-N 1 1 344.377 3.156 20 10 EGCDMO C[C@H](c1ccc(N(C)C)cc1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000296335460 455912247 /nfs/dbraw/zinc/91/22/47/455912247.db2.gz HNVLAWPPBVGCLD-CVEARBPZSA-N 1 1 331.504 3.427 20 10 EGCDMO C[C@H](O)c1ncc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000289084192 456114641 /nfs/dbraw/zinc/11/46/41/456114641.db2.gz KTELLVXIWMYISC-DZGCQCFKSA-N 1 1 348.468 3.083 20 10 EGCDMO C[C@H](O)c1ncc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000289084192 456114651 /nfs/dbraw/zinc/11/46/51/456114651.db2.gz KTELLVXIWMYISC-DZGCQCFKSA-N 1 1 348.468 3.083 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1F ZINC000271067456 456117914 /nfs/dbraw/zinc/11/79/14/456117914.db2.gz CVTWXSPQNMGZKQ-UHFFFAOYSA-N 1 1 341.430 3.155 20 10 EGCDMO Cc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)c(C)[nH+]1 ZINC000301452053 456118698 /nfs/dbraw/zinc/11/86/98/456118698.db2.gz UIROTMXWQCHJLU-UHFFFAOYSA-N 1 1 344.434 3.114 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(CO)CC2)cc1)c1cscn1 ZINC000271132146 456135255 /nfs/dbraw/zinc/13/52/55/456135255.db2.gz MBDQBTAOJQPYCZ-AWEZNQCLSA-N 1 1 331.485 3.203 20 10 EGCDMO COc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1O ZINC000289649625 456135454 /nfs/dbraw/zinc/13/54/54/456135454.db2.gz MSVZSIUWBOWAKD-CEXWTWQISA-N 1 1 339.435 3.405 20 10 EGCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c(O)c1 ZINC000289842861 456152602 /nfs/dbraw/zinc/15/26/02/456152602.db2.gz URFDHICOBAIFDZ-DZGCQCFKSA-N 1 1 347.377 3.174 20 10 EGCDMO Cc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)cc3O)C2=O)cc1 ZINC000189088559 456223335 /nfs/dbraw/zinc/22/33/35/456223335.db2.gz VBACMGYFODPMSM-KSSFIOAISA-N 1 1 342.414 3.291 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc(C)c(OC)c2)c1 ZINC000273365381 456225605 /nfs/dbraw/zinc/22/56/05/456225605.db2.gz BEPJTJYOEXYWSX-CYBMUJFWSA-N 1 1 329.396 3.347 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000273382875 456226725 /nfs/dbraw/zinc/22/67/25/456226725.db2.gz ISOBMXWOLDFAKU-VXGBXAGGSA-N 1 1 344.367 3.499 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C)c2nc(C)cs2)c1 ZINC000273381561 456227254 /nfs/dbraw/zinc/22/72/54/456227254.db2.gz CEEKQUJNYGLUHB-JQWIXIFHSA-N 1 1 334.441 3.398 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2ccc([C@H](C)O)cc2)c1 ZINC000273443939 456231937 /nfs/dbraw/zinc/23/19/37/456231937.db2.gz ZISVSFAIMONQOZ-OLZOCXBDSA-N 1 1 329.396 3.083 20 10 EGCDMO CCS(=O)(=O)CC[N@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000299539975 456722528 /nfs/dbraw/zinc/72/25/28/456722528.db2.gz FKTBUPQZQOAKNG-INIZCTEOSA-N 1 1 347.480 3.390 20 10 EGCDMO CCS(=O)(=O)CC[N@@H+](Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000299539975 456722538 /nfs/dbraw/zinc/72/25/38/456722538.db2.gz FKTBUPQZQOAKNG-INIZCTEOSA-N 1 1 347.480 3.390 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1O ZINC000365665111 457768677 /nfs/dbraw/zinc/76/86/77/457768677.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 1 1 347.846 3.361 20 10 EGCDMO C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217168 457800541 /nfs/dbraw/zinc/80/05/41/457800541.db2.gz DSFUMCUDNPSHFM-YYWHXJBOSA-N 1 1 343.515 3.191 20 10 EGCDMO C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(N2CCCCC2)cc1 ZINC000366217168 457800545 /nfs/dbraw/zinc/80/05/45/457800545.db2.gz DSFUMCUDNPSHFM-YYWHXJBOSA-N 1 1 343.515 3.191 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000375468797 457941280 /nfs/dbraw/zinc/94/12/80/457941280.db2.gz LTQKHDVWWCKETH-OALUTQOASA-N 1 1 330.472 3.103 20 10 EGCDMO CCN(CC)c1ccc(C[N@H+]2CCOC[C@H]2[C@@H]2CCCC2=O)cc1 ZINC000375468797 457941286 /nfs/dbraw/zinc/94/12/86/457941286.db2.gz LTQKHDVWWCKETH-OALUTQOASA-N 1 1 330.472 3.103 20 10 EGCDMO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000070758207 546569287 /nfs/dbraw/zinc/56/92/87/546569287.db2.gz QQIGPANKSMVYOR-UHFFFAOYSA-N 1 1 341.411 3.063 20 10 EGCDMO c1cc2c(nc[nH+]c2NCc2ccc(N3CCSCC3)cc2)[nH]1 ZINC000726967478 574623683 /nfs/dbraw/zinc/62/36/83/574623683.db2.gz LCXLVCTUPCKBIB-UHFFFAOYSA-N 1 1 325.441 3.123 20 10 EGCDMO CC[C@@H](C)[N@@H+](C)CCNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161167 574651998 /nfs/dbraw/zinc/65/19/98/574651998.db2.gz BKUIVAZKAMGAGG-MRXNPFEDSA-N 1 1 348.491 3.405 20 10 EGCDMO CC[C@@H](C)N(C)CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000727161167 574651999 /nfs/dbraw/zinc/65/19/99/574651999.db2.gz BKUIVAZKAMGAGG-MRXNPFEDSA-N 1 1 348.491 3.405 20 10 EGCDMO CCN(CC)C[C@H](C)[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000729681816 574878256 /nfs/dbraw/zinc/87/82/56/574878256.db2.gz KCCRWANAFHKIKE-INIZCTEOSA-N 1 1 348.491 3.405 20 10 EGCDMO CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000732457814 575270758 /nfs/dbraw/zinc/27/07/58/575270758.db2.gz ALUZRZQBVUSGOP-HNNXBMFYSA-N 1 1 333.476 3.092 20 10 EGCDMO Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000741723389 576713728 /nfs/dbraw/zinc/71/37/28/576713728.db2.gz DIUAZDKRIOCQSH-AEFFLSMTSA-N 1 1 325.456 3.307 20 10 EGCDMO CCN(C)c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000741752672 576717029 /nfs/dbraw/zinc/71/70/29/576717029.db2.gz DYFZKAFPJQQCHP-LJQANCHMSA-N 1 1 341.455 3.017 20 10 EGCDMO CCN(CC)c1ccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000742253424 576762791 /nfs/dbraw/zinc/76/27/91/576762791.db2.gz PSWXPSYIZNNPOY-GASCZTMLSA-N 1 1 335.467 3.161 20 10 EGCDMO CC[N@@H+]1CCC[C@@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608469 576813103 /nfs/dbraw/zinc/81/31/03/576813103.db2.gz FMEPJJXQUANPNN-QGZVFWFLSA-N 1 1 346.475 3.159 20 10 EGCDMO CC[N@H+]1CCC[C@@H]1CNCc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000743608469 576813104 /nfs/dbraw/zinc/81/31/04/576813104.db2.gz FMEPJJXQUANPNN-QGZVFWFLSA-N 1 1 346.475 3.159 20 10 EGCDMO CCCOc1ccc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)cc1C ZINC000873054959 1297250150 /nfs/dbraw/zinc/25/01/50/1297250150.db2.gz BIARXPRSBJBWGK-LJQANCHMSA-N 1 1 346.515 3.374 20 10 EGCDMO C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1c(F)cncc1F ZINC000877521169 1299364975 /nfs/dbraw/zinc/36/49/75/1299364975.db2.gz RWEPNZIEYOZSKJ-ZDUSSCGKSA-N 1 1 347.409 3.172 20 10 EGCDMO CO[C@H]1C[C@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C12CCC2 ZINC000877572945 1299407870 /nfs/dbraw/zinc/40/78/70/1299407870.db2.gz UWYNAPHDYNJUNU-PMACEKPBSA-N 1 1 344.499 3.037 20 10 EGCDMO Oc1cc2c(cc1C[NH+]1CCN(c3ccccc3Cl)CC1)OCO2 ZINC000016078812 1291163580 /nfs/dbraw/zinc/16/35/80/1291163580.db2.gz IVRPYRLXZDNVER-UHFFFAOYSA-N 1 1 346.814 3.097 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000066699527 1292127575 /nfs/dbraw/zinc/12/75/75/1292127575.db2.gz GXUFYADLCBDSJG-INIZCTEOSA-N 1 1 333.476 3.046 20 10 EGCDMO CCC[N@@H+](CC(=O)N(C)Cc1ccccc1F)Cc1ccccc1O ZINC000069009874 1292227028 /nfs/dbraw/zinc/22/70/28/1292227028.db2.gz QWFXHPRRTAGJHV-UHFFFAOYSA-N 1 1 344.430 3.402 20 10 EGCDMO Cc1cc(C[N@H+]2CCC[C@@H](CC(N)=O)C2)ccc1N1CCCCC1 ZINC000827963698 1292413362 /nfs/dbraw/zinc/41/33/62/1292413362.db2.gz SOAGTKNOAGWTTQ-KRWDZBQOSA-N 1 1 329.488 3.073 20 10 EGCDMO CC[N@H+]1C[C@H](C)N(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000828569360 1292475528 /nfs/dbraw/zinc/47/55/28/1292475528.db2.gz NREJGTBUHXGSFT-MSOLQXFVSA-N 1 1 345.531 3.216 20 10 EGCDMO CCN1C[C@H](C)[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000828569360 1292475535 /nfs/dbraw/zinc/47/55/35/1292475535.db2.gz NREJGTBUHXGSFT-MSOLQXFVSA-N 1 1 345.531 3.216 20 10 EGCDMO CCN1C[C@H](C)[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H]1C ZINC000828569360 1292475542 /nfs/dbraw/zinc/47/55/42/1292475542.db2.gz NREJGTBUHXGSFT-MSOLQXFVSA-N 1 1 345.531 3.216 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCOCC4(CCC4)C3)cc2)CC1 ZINC000828873746 1292509709 /nfs/dbraw/zinc/50/97/09/1292509709.db2.gz RRFOSWGBTARHBC-UHFFFAOYSA-N 1 1 344.499 3.304 20 10 EGCDMO Cc1cc(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000829707948 1292607635 /nfs/dbraw/zinc/60/76/35/1292607635.db2.gz CMRGVYPPDHSAPH-NHCUHLMSSA-N 1 1 344.499 3.365 20 10 EGCDMO Cc1cc(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)ccc1N1CCCCC1 ZINC000829707948 1292607645 /nfs/dbraw/zinc/60/76/45/1292607645.db2.gz CMRGVYPPDHSAPH-NHCUHLMSSA-N 1 1 344.499 3.365 20 10 EGCDMO C[N@@H+](CCc1ccc(F)cc1)Cc1ccc(N2CCOCC2)cc1 ZINC000092150168 1292855404 /nfs/dbraw/zinc/85/54/04/1292855404.db2.gz LQLBVFUMUXOOAP-UHFFFAOYSA-N 1 1 328.431 3.337 20 10 EGCDMO CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092401040 1292866027 /nfs/dbraw/zinc/86/60/27/1292866027.db2.gz UMBHCKJFYYCXCA-CVEARBPZSA-N 1 1 348.487 3.308 20 10 EGCDMO C[N@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1O ZINC000111235181 1293102349 /nfs/dbraw/zinc/10/23/49/1293102349.db2.gz FSTICWIRMJUNCC-UHFFFAOYSA-N 1 1 343.408 3.179 20 10 EGCDMO C[N@@H+](CC(=O)Nc1nc(-c2ccco2)cs1)Cc1ccccc1O ZINC000111235181 1293102352 /nfs/dbraw/zinc/10/23/52/1293102352.db2.gz FSTICWIRMJUNCC-UHFFFAOYSA-N 1 1 343.408 3.179 20 10 EGCDMO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1C)c1ccc(F)cc1O ZINC000834913112 1293175152 /nfs/dbraw/zinc/17/51/52/1293175152.db2.gz VDWUNZQXOWEYJU-SWLSCSKDSA-N 1 1 331.391 3.303 20 10 EGCDMO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CN2CCN(CC)CC2)cc1 ZINC000121157150 1293357758 /nfs/dbraw/zinc/35/77/58/1293357758.db2.gz LYMVKAVDFKSHRO-OALUTQOASA-N 1 1 346.563 3.067 20 10 EGCDMO O=C1NCC[N@@H+](Cc2c(O)ccc3ccccc32)[C@H]1c1ccccc1 ZINC000129818140 1293635624 /nfs/dbraw/zinc/63/56/24/1293635624.db2.gz COSWIDOIYLOXDA-FQEVSTJZSA-N 1 1 332.403 3.219 20 10 EGCDMO O=C1NCC[N@H+](Cc2c(O)ccc3ccccc32)[C@H]1c1ccccc1 ZINC000129818140 1293635630 /nfs/dbraw/zinc/63/56/30/1293635630.db2.gz COSWIDOIYLOXDA-FQEVSTJZSA-N 1 1 332.403 3.219 20 10 EGCDMO C[C@H](NCC[NH+]1CCC(C)CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000155996048 1294122476 /nfs/dbraw/zinc/12/24/76/1294122476.db2.gz KTZFMQDFQYKGIT-KRWDZBQOSA-N 1 1 349.494 3.045 20 10 EGCDMO CCN1CCN(c2ccc(C[NH2+][C@H](C)c3ccoc3)cc2F)CC1 ZINC000177972485 1294707827 /nfs/dbraw/zinc/70/78/27/1294707827.db2.gz IYKHIYOVUCNABY-OAHLLOKOSA-N 1 1 331.435 3.411 20 10 EGCDMO COc1cc(C[N@@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)cc1C ZINC000179442106 1294796598 /nfs/dbraw/zinc/79/65/98/1294796598.db2.gz UMYNXSSDOZJQEH-IBGZPJMESA-N 1 1 331.387 3.422 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@H](c3cccc(F)c3)C2)c(O)cc1C ZINC000179442106 1294796606 /nfs/dbraw/zinc/79/66/06/1294796606.db2.gz UMYNXSSDOZJQEH-IBGZPJMESA-N 1 1 331.387 3.422 20 10 EGCDMO COc1cc(O)c(C[N@@H+](C)CCOc2ccccc2C)cc1OC ZINC000179620673 1294807999 /nfs/dbraw/zinc/80/79/99/1294807999.db2.gz DIKSUJBPKTUBDK-UHFFFAOYSA-N 1 1 331.412 3.229 20 10 EGCDMO CCc1ccc(C(=O)N2CC[NH+](Cc3cccc(C)c3O)CC2)cc1 ZINC000179699040 1294816889 /nfs/dbraw/zinc/81/68/89/1294816889.db2.gz IFBJZMQAMQKEBG-UHFFFAOYSA-N 1 1 338.451 3.221 20 10 EGCDMO CCc1ccc([C@H](COC)[NH2+]Cc2cc(F)cc(C(C)=O)c2O)o1 ZINC000184830311 1295221179 /nfs/dbraw/zinc/22/11/79/1295221179.db2.gz NJRLHCBHSUSDRD-INIZCTEOSA-N 1 1 335.375 3.367 20 10 EGCDMO COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000187992369 1295428455 /nfs/dbraw/zinc/42/84/55/1295428455.db2.gz NZIFTLXDGACTEZ-KRWDZBQOSA-N 1 1 345.439 3.099 20 10 EGCDMO C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000246985511 1296378332 /nfs/dbraw/zinc/37/83/32/1296378332.db2.gz HMEFGQNGHDYZIQ-HOTGVXAUSA-N 1 1 346.471 3.207 20 10 EGCDMO C[N@H+](CC(=O)N1CCCC1)Cc1cc2oc3ccccc3c2cc1O ZINC000873984916 1297746361 /nfs/dbraw/zinc/74/63/61/1297746361.db2.gz QKMKRAZGVFHBEU-UHFFFAOYSA-N 1 1 338.407 3.346 20 10 EGCDMO C[N@@H+](CC(=O)N1CCCC1)Cc1cc2oc3ccccc3c2cc1O ZINC000873984916 1297746367 /nfs/dbraw/zinc/74/63/67/1297746367.db2.gz QKMKRAZGVFHBEU-UHFFFAOYSA-N 1 1 338.407 3.346 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCOc4ccccc4C3)cc2)CC1 ZINC000876627882 1298879809 /nfs/dbraw/zinc/87/98/09/1298879809.db2.gz UQAQLMIVLHOESY-UHFFFAOYSA-N 1 1 338.451 3.042 20 10 EGCDMO Cc1cccc(O)c1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000876736216 1298946645 /nfs/dbraw/zinc/94/66/45/1298946645.db2.gz UKYMWVKWALOHDW-GOEBONIOSA-N 1 1 334.460 3.436 20 10 EGCDMO CCn1ncnc1C[NH2+]Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000876989264 1299101999 /nfs/dbraw/zinc/10/19/99/1299101999.db2.gz WTQZMGURXAVUNY-UHFFFAOYSA-N 1 1 327.476 3.357 20 10 EGCDMO CN1CCCc2cc(CNC(=O)[C@H]3CCC[N@H+]3C3CCCC3)ccc21 ZINC000749224176 1299169138 /nfs/dbraw/zinc/16/91/38/1299169138.db2.gz WXEMIJQWIDXOPZ-HXUWFJFHSA-N 1 1 341.499 3.092 20 10 EGCDMO CCC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000749561853 1299236638 /nfs/dbraw/zinc/23/66/38/1299236638.db2.gz HMUKJFGSLLRPAT-IBGZPJMESA-N 1 1 331.504 3.366 20 10 EGCDMO Cc1ccc(C[N@@H+](CCC(=O)OC(C)(C)C)C2CCOCC2)c(O)c1 ZINC000877603721 1299424975 /nfs/dbraw/zinc/42/49/75/1299424975.db2.gz TYOQRYDEAHPQBR-UHFFFAOYSA-N 1 1 349.471 3.413 20 10 EGCDMO C[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](C)C1(F)F ZINC000877651645 1299456766 /nfs/dbraw/zinc/45/67/66/1299456766.db2.gz ZKHYAWJPGSAUNU-GASCZTMLSA-N 1 1 338.442 3.371 20 10 EGCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000752925540 1299821357 /nfs/dbraw/zinc/82/13/57/1299821357.db2.gz LUKKLOFADGBJKG-GJZGRUSLSA-N 1 1 343.475 3.006 20 10 EGCDMO Cc1cc(C)c(O)c(C[N@H+](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000754737833 1300205352 /nfs/dbraw/zinc/20/53/52/1300205352.db2.gz VOEPJCRQGIULGH-INIZCTEOSA-N 1 1 334.460 3.450 20 10 EGCDMO C/C(=C/c1ccccc1)C[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000754863073 1300232764 /nfs/dbraw/zinc/23/27/64/1300232764.db2.gz PTLQWLWFKOHSAL-HTJTXACHSA-N 1 1 325.408 3.353 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](C2CCCCC2)N(C)C)c1 ZINC000756435006 1300489425 /nfs/dbraw/zinc/48/94/25/1300489425.db2.gz WNKKHDXNTGGLPY-KSSFIOAISA-N 1 1 348.487 3.340 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCCc2ccc(OC)cc2)c1 ZINC000756461551 1300497751 /nfs/dbraw/zinc/49/77/51/1300497751.db2.gz UPRMQXUIYDNVJU-AWEZNQCLSA-N 1 1 343.423 3.471 20 10 EGCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1O)C(=O)NCc1ccccc1 ZINC000756482725 1300503269 /nfs/dbraw/zinc/50/32/69/1300503269.db2.gz KKEHULUVWNDQFO-RYUDHWBXSA-N 1 1 334.366 3.026 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCOc2ccccc2C)c1 ZINC000756482367 1300503551 /nfs/dbraw/zinc/50/35/51/1300503551.db2.gz JKXYRPKCMSWESG-AWEZNQCLSA-N 1 1 329.396 3.217 20 10 EGCDMO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1O ZINC000756498863 1300507232 /nfs/dbraw/zinc/50/72/32/1300507232.db2.gz YMEQENRHJXNWEB-VHSXEESVSA-N 1 1 334.229 3.351 20 10 EGCDMO C[C@H]([NH2+]CC1(O)CCCC1)c1cc(Br)c(F)cc1O ZINC000756574343 1300524487 /nfs/dbraw/zinc/52/44/87/1300524487.db2.gz LEMLIVXDGGBLCN-VIFPVBQESA-N 1 1 332.213 3.250 20 10 EGCDMO C[C@H]1C[C@@H]([NH2+]Cc2n[nH]cc2Br)c2c1c(F)ccc2O ZINC000756583694 1300527085 /nfs/dbraw/zinc/52/70/85/1300527085.db2.gz AHPOJZFTMOQUSJ-OIBJUYFYSA-N 1 1 340.196 3.355 20 10 EGCDMO C[C@H]1C[C@H]([NH2+]Cc2n[nH]cc2Br)c2c1c(F)ccc2O ZINC000756583699 1300527158 /nfs/dbraw/zinc/52/71/58/1300527158.db2.gz AHPOJZFTMOQUSJ-XVKPBYJWSA-N 1 1 340.196 3.355 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)Oc2ccc(F)cc2)c1 ZINC000756607583 1300530281 /nfs/dbraw/zinc/53/02/81/1300530281.db2.gz FTILAWRXQVNBEN-CHWSQXEVSA-N 1 1 347.386 3.436 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)Oc2ccc(F)cc2)c1 ZINC000756607589 1300530701 /nfs/dbraw/zinc/53/07/01/1300530701.db2.gz FTILAWRXQVNBEN-QWHCGFSZSA-N 1 1 347.386 3.436 20 10 EGCDMO COC[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000756635678 1300537562 /nfs/dbraw/zinc/53/75/62/1300537562.db2.gz GQVPGXTWBJYWTR-YOEHRIQHSA-N 1 1 343.423 3.087 20 10 EGCDMO CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)cc(F)c2O)C1 ZINC000756641128 1300539331 /nfs/dbraw/zinc/53/93/31/1300539331.db2.gz GHSVCXWXIZNNPG-WJNFTWJOSA-N 1 1 331.428 3.401 20 10 EGCDMO COc1ccc2c(c1)OC[C@@H]([NH2+][C@H](C)c1cc(F)cc(F)c1O)C2 ZINC000756774950 1300564375 /nfs/dbraw/zinc/56/43/75/1300564375.db2.gz MPRQQQZXHYWTLY-MFKMUULPSA-N 1 1 335.350 3.333 20 10 EGCDMO CCC[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000757851066 1300746954 /nfs/dbraw/zinc/74/69/54/1300746954.db2.gz ZMRHBMQYFDFDRL-QGZVFWFLSA-N 1 1 331.504 3.223 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643263 1301134791 /nfs/dbraw/zinc/13/47/91/1301134791.db2.gz LUKBNOGAGIWTRH-CYBMUJFWSA-N 1 1 345.409 3.032 20 10 EGCDMO CCCN(Cc1ccccc1O)C(=O)Nc1ccnc(C[NH+](C)C)c1 ZINC000880610353 1301180888 /nfs/dbraw/zinc/18/08/88/1301180888.db2.gz NJXSPYPOTZBUIW-UHFFFAOYSA-N 1 1 342.443 3.293 20 10 EGCDMO CC[N@@H+](Cc1cc(OC)ccc1O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000761225398 1301424020 /nfs/dbraw/zinc/42/40/20/1301424020.db2.gz GSGFBRKKLOXEPJ-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cc(OC)ccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000761225398 1301424026 /nfs/dbraw/zinc/42/40/26/1301424026.db2.gz GSGFBRKKLOXEPJ-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO CCN(Cc1cc(OC)ccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000761225398 1301424030 /nfs/dbraw/zinc/42/40/30/1301424030.db2.gz GSGFBRKKLOXEPJ-LJQANCHMSA-N 1 1 340.467 3.497 20 10 EGCDMO C[NH+](C)[C@H]1CCCN(Cc2cccc(Br)c2O)CC1 ZINC000763616899 1301932706 /nfs/dbraw/zinc/93/27/06/1301932706.db2.gz SQZXRHLSTRITQV-ZDUSSCGKSA-N 1 1 327.266 3.071 20 10 EGCDMO CN1CCN(c2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000883289720 1302369120 /nfs/dbraw/zinc/36/91/20/1302369120.db2.gz YEVQGALQEBTVBS-NRFANRHFSA-N 1 1 339.458 3.355 20 10 EGCDMO CC(C)c1nnc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000766552956 1302475523 /nfs/dbraw/zinc/47/55/23/1302475523.db2.gz MOLBEPXMNCDXMM-AWEZNQCLSA-N 1 1 346.500 3.349 20 10 EGCDMO CCCC[N@@H+](CCO)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000768139118 1302832981 /nfs/dbraw/zinc/83/29/81/1302832981.db2.gz AXDYCMZYCCGTFP-UHFFFAOYSA-N 1 1 335.448 3.180 20 10 EGCDMO CCOc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC000768161263 1302839898 /nfs/dbraw/zinc/83/98/98/1302839898.db2.gz VRTSUPHCBNQWFB-UHFFFAOYSA-N 1 1 343.423 3.366 20 10 EGCDMO CCOc1cccc(C[N@@H+](CC)C[C@@H]2COc3ccccc3O2)c1O ZINC000768179653 1302846413 /nfs/dbraw/zinc/84/64/13/1302846413.db2.gz JPPFSAZIXIXMGW-MRXNPFEDSA-N 1 1 343.423 3.453 20 10 EGCDMO CCN(CC)c1ccc(C[N@@H+](C)Cc2c[nH]c(C(=O)OC)c2)cc1 ZINC000768209020 1302855012 /nfs/dbraw/zinc/85/50/12/1302855012.db2.gz XCPRUMKKQYIHOM-UHFFFAOYSA-N 1 1 329.444 3.280 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1c1cccc(F)c1)[C@H](O)CO2 ZINC000768442594 1302904204 /nfs/dbraw/zinc/90/42/04/1302904204.db2.gz MGNMDXSPRNZKSL-SJLPKXTDSA-N 1 1 329.371 3.294 20 10 EGCDMO Oc1cc2c(cc1C[N@@H+](CCc1ccc(F)cc1)C1CC1)[C@@H](O)CO2 ZINC000768448680 1302910173 /nfs/dbraw/zinc/91/01/73/1302910173.db2.gz VIIMFFXNHSTEDD-IBGZPJMESA-N 1 1 343.398 3.164 20 10 EGCDMO C[C@@H]1C[N@@H+](Cc2cc3c(cc2O)OC[C@@H]3O)CC[C@@H]1c1ccccc1 ZINC000768466457 1302913724 /nfs/dbraw/zinc/91/37/24/1302913724.db2.gz QKHGZTJTLHBBHQ-LIVBEALHSA-N 1 1 339.435 3.444 20 10 EGCDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1cc(C)ccc1O ZINC000769378505 1303101155 /nfs/dbraw/zinc/10/11/55/1303101155.db2.gz CVGCJDSLCXKXDH-SFHVURJKSA-N 1 1 327.424 3.307 20 10 EGCDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1cc(C)ccc1O ZINC000769378505 1303101161 /nfs/dbraw/zinc/10/11/61/1303101161.db2.gz CVGCJDSLCXKXDH-SFHVURJKSA-N 1 1 327.424 3.307 20 10 EGCDMO CCOC(=O)[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769380977 1303102979 /nfs/dbraw/zinc/10/29/79/1303102979.db2.gz YDJMKYRGBZLZMW-FQEVSTJZSA-N 1 1 340.467 3.359 20 10 EGCDMO CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000769380977 1303102981 /nfs/dbraw/zinc/10/29/81/1303102981.db2.gz YDJMKYRGBZLZMW-FQEVSTJZSA-N 1 1 340.467 3.359 20 10 EGCDMO CCOc1ccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c(O)c1 ZINC000769423379 1303110273 /nfs/dbraw/zinc/11/02/73/1303110273.db2.gz HTPQRCYZESHSAR-IBGZPJMESA-N 1 1 327.424 3.273 20 10 EGCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](CC)N(C(C)=O)C[C@@H]2CC)c1 ZINC000769498083 1303127122 /nfs/dbraw/zinc/12/71/22/1303127122.db2.gz FIZKFMDQZJSZEN-IRXDYDNUSA-N 1 1 334.460 3.012 20 10 EGCDMO COC(=O)[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)C[C@H]1C ZINC000769514564 1303133316 /nfs/dbraw/zinc/13/33/16/1303133316.db2.gz JMCWWNSIHWGKOR-RDTXWAMCSA-N 1 1 325.408 3.300 20 10 EGCDMO CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](Cc2ccccc2O)C2CC2)C1 ZINC000770506171 1303278669 /nfs/dbraw/zinc/27/86/69/1303278669.db2.gz WNOZNMZSIFZZKU-MRXNPFEDSA-N 1 1 332.444 3.366 20 10 EGCDMO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCC2 ZINC000771067251 1303355850 /nfs/dbraw/zinc/35/58/50/1303355850.db2.gz UPPLAMNDZKFVBL-CVEARBPZSA-N 1 1 348.874 3.316 20 10 EGCDMO COc1cc(C[NH2+][C@@H](C)c2c(O)cccc2F)cc(OC)c1OC ZINC000886493406 1303475917 /nfs/dbraw/zinc/47/59/17/1303475917.db2.gz JXPDFZITZLQXLV-NSHDSACASA-N 1 1 335.375 3.408 20 10 EGCDMO C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1c(O)cccc1F ZINC000886506442 1303480585 /nfs/dbraw/zinc/48/05/85/1303480585.db2.gz SOFRBFMATPNOBV-OAHLLOKOSA-N 1 1 344.430 3.214 20 10 EGCDMO CCc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3c(O)cccc3F)C2)ncn1 ZINC000886547642 1303495510 /nfs/dbraw/zinc/49/55/10/1303495510.db2.gz PBNNKQQZJNDFSQ-UKRRQHHQSA-N 1 1 344.434 3.203 20 10 EGCDMO Oc1cccc2c1[C@@H]([NH2+]Cc1nc(Cc3ccccc3F)no1)CC2 ZINC000886714595 1303576704 /nfs/dbraw/zinc/57/67/04/1303576704.db2.gz OOFRDVBYCZONIB-HNNXBMFYSA-N 1 1 339.370 3.282 20 10 EGCDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000773329234 1303663234 /nfs/dbraw/zinc/66/32/34/1303663234.db2.gz ZNDXODXDDPSTRO-FQEVSTJZSA-N 1 1 342.439 3.352 20 10 EGCDMO C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Cl)c(Cl)cc1O ZINC000774167226 1303782931 /nfs/dbraw/zinc/78/29/31/1303782931.db2.gz VXUZYZDUSWCROE-QWRGUYRKSA-N 1 1 333.259 3.070 20 10 EGCDMO COc1c(O)c(C[N@@H+]2CCc3c(C)cccc3C2)ccc1[N+](=O)[O-] ZINC000774876531 1303870590 /nfs/dbraw/zinc/87/05/90/1303870590.db2.gz ANIVMLNWBBKTHK-UHFFFAOYSA-N 1 1 328.368 3.176 20 10 EGCDMO COc1c(O)c(C[N@H+]2CCc3c(C)cccc3C2)ccc1[N+](=O)[O-] ZINC000774876531 1303870592 /nfs/dbraw/zinc/87/05/92/1303870592.db2.gz ANIVMLNWBBKTHK-UHFFFAOYSA-N 1 1 328.368 3.176 20 10 EGCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000774989633 1303886380 /nfs/dbraw/zinc/88/63/80/1303886380.db2.gz IWYODQBKNFOQQR-LLVKDONJSA-N 1 1 334.347 3.341 20 10 EGCDMO COc1c(O)c(C[NH2+]Cc2cccc3cccnc32)ccc1[N+](=O)[O-] ZINC000775048203 1303895154 /nfs/dbraw/zinc/89/51/54/1303895154.db2.gz HPTKPZLQJBYNLC-UHFFFAOYSA-N 1 1 339.351 3.147 20 10 EGCDMO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775206033 1303925611 /nfs/dbraw/zinc/92/56/11/1303925611.db2.gz UCPDJEPLRHGUQH-NRFANRHFSA-N 1 1 345.531 3.220 20 10 EGCDMO CCC[C@@]1(COC)CCC[N@H+]1Cc1ccc(N2CCN(C)CC2)cc1 ZINC000775206033 1303925615 /nfs/dbraw/zinc/92/56/15/1303925615.db2.gz UCPDJEPLRHGUQH-NRFANRHFSA-N 1 1 345.531 3.220 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664647 1304008980 /nfs/dbraw/zinc/00/89/80/1304008980.db2.gz OFKGUSDVZKONAA-IRXDYDNUSA-N 1 1 332.488 3.487 20 10 EGCDMO COc1ccc(O)c(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000775664647 1304008986 /nfs/dbraw/zinc/00/89/86/1304008986.db2.gz OFKGUSDVZKONAA-IRXDYDNUSA-N 1 1 332.488 3.487 20 10 EGCDMO COC(=O)C[N@H+](CCc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000776780731 1304198601 /nfs/dbraw/zinc/19/86/01/1304198601.db2.gz NQZNWBFJOQJLFU-UHFFFAOYSA-N 1 1 327.424 3.227 20 10 EGCDMO COC(=O)C[N@@H+](CCc1ccccc1)Cc1cc(C)c(C)cc1O ZINC000776780731 1304198602 /nfs/dbraw/zinc/19/86/02/1304198602.db2.gz NQZNWBFJOQJLFU-UHFFFAOYSA-N 1 1 327.424 3.227 20 10 EGCDMO COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000779603751 1304586143 /nfs/dbraw/zinc/58/61/43/1304586143.db2.gz APFNYQXYCKZYIC-LBPRGKRZSA-N 1 1 325.836 3.457 20 10 EGCDMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780892801 1304748811 /nfs/dbraw/zinc/74/88/11/1304748811.db2.gz KMPSNZLZNJCSTJ-HNNXBMFYSA-N 1 1 329.419 3.250 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1O ZINC000780891997 1304748950 /nfs/dbraw/zinc/74/89/50/1304748950.db2.gz FZZWCBQKKDTMIT-RYUDHWBXSA-N 1 1 328.250 3.056 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000891478525 1305062564 /nfs/dbraw/zinc/06/25/64/1305062564.db2.gz ZHIONQXFEAICJL-UHFFFAOYSA-N 1 1 347.411 3.059 20 10 EGCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)cc1 ZINC000784509417 1305252751 /nfs/dbraw/zinc/25/27/51/1305252751.db2.gz GPSARYGDPQRGCG-KRWDZBQOSA-N 1 1 331.504 3.079 20 10 EGCDMO COc1ccc(C[N@@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c1OC ZINC000892140508 1305264934 /nfs/dbraw/zinc/26/49/34/1305264934.db2.gz KZICDIYZUZRBCS-BLLLJJGKSA-N 1 1 349.452 3.433 20 10 EGCDMO COc1ccc(C[N@H+]2C[C@H](C)O[C@@H](c3ccsc3)C2)c(O)c1OC ZINC000892140508 1305264937 /nfs/dbraw/zinc/26/49/37/1305264937.db2.gz KZICDIYZUZRBCS-BLLLJJGKSA-N 1 1 349.452 3.433 20 10 EGCDMO COc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(O)c1OC ZINC000892140510 1305265636 /nfs/dbraw/zinc/26/56/36/1305265636.db2.gz KZICDIYZUZRBCS-MLGOLLRUSA-N 1 1 349.452 3.433 20 10 EGCDMO COc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)c(O)c1OC ZINC000892140510 1305265642 /nfs/dbraw/zinc/26/56/42/1305265642.db2.gz KZICDIYZUZRBCS-MLGOLLRUSA-N 1 1 349.452 3.433 20 10 EGCDMO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Br)ccc1O ZINC000785989157 1305486398 /nfs/dbraw/zinc/48/63/98/1305486398.db2.gz SQEQGGNJYMOJAS-GYSYKLTISA-N 1 1 328.250 3.136 20 10 EGCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@H](C)O)c1O ZINC000785987221 1305486781 /nfs/dbraw/zinc/48/67/81/1305486781.db2.gz GQBVUPCUTZXUSC-ITDIGPHOSA-N 1 1 342.277 3.444 20 10 EGCDMO CCN(CC)c1ccc(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)cc1 ZINC000787302517 1305729823 /nfs/dbraw/zinc/72/98/23/1305729823.db2.gz JDIUGWHDUTWJDW-SFHVURJKSA-N 1 1 345.531 3.218 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275832 1305913042 /nfs/dbraw/zinc/91/30/42/1305913042.db2.gz OMKQZJWHBGIRKF-DYVFJYSZSA-N 1 1 344.430 3.179 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2C[C@@H](O)C[C@H]2C)c(C)n1-c1ccc(C)c(F)c1 ZINC000788275832 1305913049 /nfs/dbraw/zinc/91/30/49/1305913049.db2.gz OMKQZJWHBGIRKF-DYVFJYSZSA-N 1 1 344.430 3.179 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)c(O)c1OC ZINC000893544015 1305962872 /nfs/dbraw/zinc/96/28/72/1305962872.db2.gz ZBJZNYWYSHGIFR-UHFFFAOYSA-N 1 1 346.427 3.062 20 10 EGCDMO COc1ccc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c(O)c1OC ZINC000893544015 1305962886 /nfs/dbraw/zinc/96/28/86/1305962886.db2.gz ZBJZNYWYSHGIFR-UHFFFAOYSA-N 1 1 346.427 3.062 20 10 EGCDMO CC(=O)N1CCC(C[NH2+][C@H](C)c2cccc(C(F)(F)F)c2O)CC1 ZINC000788594987 1305977442 /nfs/dbraw/zinc/97/74/42/1305977442.db2.gz QFFKSSYWHBGZDP-LLVKDONJSA-N 1 1 344.377 3.320 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328.416 3.011 20 10 EGCDMO Cc1c([C@H](C)[NH2+]C[C@H](N)c2ccc(N(C)C)cc2)cnn1C(C)C ZINC000817942845 1319471060 /nfs/dbraw/zinc/47/10/60/1319471060.db2.gz RFQPTFLLROHOTK-LIRRHRJNSA-N 1 1 329.492 3.189 20 10 EGCDMO C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)c1cc(Br)cc(Cl)c1[O-] ZINC000817953298 1319475074 /nfs/dbraw/zinc/47/50/74/1319475074.db2.gz ZLYXMBBFUMCMJT-PSASIEDQSA-N 1 1 333.657 3.211 20 10 EGCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(Br)ccc1[O-] ZINC000817960414 1319478575 /nfs/dbraw/zinc/47/85/75/1319478575.db2.gz NANBZWNVXBJQAA-COPLHBTASA-N 1 1 327.266 3.323 20 10 EGCDMO CC[C@@H]([NH2+]CC1(COC)CC[NH2+]CC1)c1cc(Cl)ccc1[O-] ZINC000817974454 1319482589 /nfs/dbraw/zinc/48/25/89/1319482589.db2.gz MEXVMBNFGLLTOT-OAHLLOKOSA-N 1 1 326.868 3.103 20 10 EGCDMO C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1[O-] ZINC000817979915 1319483754 /nfs/dbraw/zinc/48/37/54/1319483754.db2.gz FZBGGSHWUXMOIM-AAEUAGOBSA-N 1 1 327.266 3.338 20 10 EGCDMO C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000817981725 1319485268 /nfs/dbraw/zinc/48/52/68/1319485268.db2.gz NFKBNCAGCNINSB-OTYXRUKQSA-N 1 1 345.256 3.462 20 10 EGCDMO COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H](N)c4ccccc43)C2)cc1 ZINC000818616443 1319571791 /nfs/dbraw/zinc/57/17/91/1319571791.db2.gz XNTYCXDCHSMKHJ-GQWLDOHISA-N 1 1 337.467 3.256 20 10 EGCDMO COc1ccc(N2CC[C@H](CN[C@@H]3C[C@H]([NH3+])c4ccccc43)C2)cc1 ZINC000818616443 1319571798 /nfs/dbraw/zinc/57/17/98/1319571798.db2.gz XNTYCXDCHSMKHJ-GQWLDOHISA-N 1 1 337.467 3.256 20 10 EGCDMO CN(C)c1ccc(C[N@H+](CC(=O)N(C)c2ccccc2)C2CC2)cc1 ZINC000917074341 1319748961 /nfs/dbraw/zinc/74/89/61/1319748961.db2.gz YLHBFCYLMYCKDD-UHFFFAOYSA-N 1 1 337.467 3.380 20 10 EGCDMO CN(C)c1ccc(C[N@@H+](CC(=O)N(C)c2ccccc2)C2CC2)cc1 ZINC000917074341 1319748965 /nfs/dbraw/zinc/74/89/65/1319748965.db2.gz YLHBFCYLMYCKDD-UHFFFAOYSA-N 1 1 337.467 3.380 20 10 EGCDMO CC(C)[N@@H+](CC(=O)N1C[C@H](C)C[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074771 1319750054 /nfs/dbraw/zinc/75/00/54/1319750054.db2.gz 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COc1c(O)c(C[NH2+]C[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-] ZINC000824483435 1320260922 /nfs/dbraw/zinc/26/09/22/1320260922.db2.gz MUBYQIAQFKQKPT-GFCCVEGCSA-N 1 1 346.408 3.288 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)CC1 ZINC000824942026 1320298436 /nfs/dbraw/zinc/29/84/36/1320298436.db2.gz UONYBXZLVZJFHY-SFTDATJTSA-N 1 1 325.500 3.059 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+]3C[C@@H](C4CC4)[C@@H]3C3CC3)cc2)CC1 ZINC000824942026 1320298437 /nfs/dbraw/zinc/29/84/37/1320298437.db2.gz UONYBXZLVZJFHY-SFTDATJTSA-N 1 1 325.500 3.059 20 10 EGCDMO COc1c(O)c(C[NH2+]C2(Cc3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000825016593 1320303851 /nfs/dbraw/zinc/30/38/51/1320303851.db2.gz FQEMJDRNDWOEFS-UHFFFAOYSA-N 1 1 346.358 3.313 20 10 EGCDMO Cc1cc(Br)c(O)c(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c1 ZINC000825017656 1320304569 /nfs/dbraw/zinc/30/45/69/1320304569.db2.gz WOVDSCIWKPAPMR-ZWNOBZJWSA-N 1 1 336.233 3.455 20 10 EGCDMO COc1cc(C[N@@H+]2CC[C@@H](C)[S@](=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000825699763 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333.545 3.154 20 10 EGCDMO CS[C@H]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001324904995 1387814221 /nfs/dbraw/zinc/81/42/21/1387814221.db2.gz QRZXDQKGONCRRW-OALUTQOASA-N 1 1 333.545 3.154 20 10 EGCDMO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001324904997 1387814438 /nfs/dbraw/zinc/81/44/38/1387814438.db2.gz QRZXDQKGONCRRW-RTBURBONSA-N 1 1 333.545 3.154 20 10 EGCDMO CS[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCN(C)CC3)cc2)C1 ZINC001324904997 1387814445 /nfs/dbraw/zinc/81/44/45/1387814445.db2.gz QRZXDQKGONCRRW-RTBURBONSA-N 1 1 333.545 3.154 20 10 EGCDMO COc1ccc(N2CCOC[C@]3(CCC[N@@H+](CC(C)C)C3)C2)cc1 ZINC001201470794 1369551832 /nfs/dbraw/zinc/55/18/32/1369551832.db2.gz MELZRVPDTFFDFV-FQEVSTJZSA-N 1 1 332.488 3.270 20 10 EGCDMO CC[N@@H+](Cc1ccccc1O)Cc1c(OC)cc(OC)cc1OC ZINC001203517188 1370151829 /nfs/dbraw/zinc/15/18/29/1370151829.db2.gz LFLXXGOQEJFEIC-UHFFFAOYSA-N 1 1 331.412 3.440 20 10 EGCDMO Cc1ccc(O[C@@H]2C[C@H]3CN(Cc4ccccc4O)CC[N@H+]3C2)cc1 ZINC001203556764 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CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000831153381 1292821646 /nfs/dbraw/zinc/82/16/46/1292821646.db2.gz FRDLPHVRSOAAPZ-OIISXLGYSA-N 1 1 337.847 3.374 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1O ZINC000831153381 1292821659 /nfs/dbraw/zinc/82/16/59/1292821659.db2.gz FRDLPHVRSOAAPZ-OIISXLGYSA-N 1 1 337.847 3.374 20 10 EGCDMO C[N@@H+](Cc1cnc2ccc(Br)cn12)Cc1ccccc1O ZINC000091956509 1292849894 /nfs/dbraw/zinc/84/98/94/1292849894.db2.gz AFPQGVMSHGRVCF-UHFFFAOYSA-N 1 1 346.228 3.434 20 10 EGCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)c1O ZINC000093281414 1292913382 /nfs/dbraw/zinc/91/33/82/1292913382.db2.gz GRWQBGQNVGWSGQ-HNNXBMFYSA-N 1 1 348.487 3.165 20 10 EGCDMO Oc1c(Br)cccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506457 1292923276 /nfs/dbraw/zinc/92/32/76/1292923276.db2.gz CTGWCLKIBUXBTB-RISCZKNCSA-N 1 1 326.234 3.156 20 10 EGCDMO Oc1c(Br)cccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093506457 1292923290 /nfs/dbraw/zinc/92/32/90/1292923290.db2.gz CTGWCLKIBUXBTB-RISCZKNCSA-N 1 1 326.234 3.156 20 10 EGCDMO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3cc(Cl)ccc3O)C2)nc1 ZINC000093534409 1292924458 /nfs/dbraw/zinc/92/44/58/1292924458.db2.gz MYRXTQXZUDTUCB-ZDUSSCGKSA-N 1 1 348.790 3.035 20 10 EGCDMO CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000834880530 1293162680 /nfs/dbraw/zinc/16/26/80/1293162680.db2.gz KILCWLQCPOEKKG-FEUHOPSXSA-N 1 1 334.243 3.401 20 10 EGCDMO C[C@@H]1CC[N@@H+](Cc2ccccc2O)C[C@H]1CNC(=O)OC(C)(C)C ZINC000835069186 1293198906 /nfs/dbraw/zinc/19/89/06/1293198906.db2.gz KWTYLHAEHVCFKD-GDBMZVCRSA-N 1 1 334.460 3.375 20 10 EGCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000120700750 1293334337 /nfs/dbraw/zinc/33/43/37/1293334337.db2.gz JCXDHVXBUGWSIT-SCTDSRPQSA-N 1 1 332.488 3.083 20 10 EGCDMO COc1cc(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)c(O)cc1C ZINC000160482220 1294268996 /nfs/dbraw/zinc/26/89/96/1294268996.db2.gz SIJAYTXMXDIHHW-OAQYLSRUSA-N 1 1 339.435 3.383 20 10 EGCDMO CC[N@H+](Cc1cc(OC)ccc1O)C[C@H]1COc2ccccc2O1 ZINC000179571508 1294804090 /nfs/dbraw/zinc/80/40/90/1294804090.db2.gz UFLOFDOLKONEBN-INIZCTEOSA-N 1 1 329.396 3.063 20 10 EGCDMO COc1ccc(O)c(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1 ZINC000179643308 1294811764 /nfs/dbraw/zinc/81/17/64/1294811764.db2.gz HCUBYUULTYDSNX-UHFFFAOYSA-N 1 1 344.430 3.248 20 10 EGCDMO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2nc3ccccc3c(=O)[nH]2)c1 ZINC000182373692 1295040066 /nfs/dbraw/zinc/04/00/66/1295040066.db2.gz GBBYDGVGJCBZMA-VXGBXAGGSA-N 1 1 339.395 3.049 20 10 EGCDMO CCOc1ccc(O)c(C[N@@H+](C)Cc2ncc(C)c(OC)c2C)c1 ZINC000183783534 1295142605 /nfs/dbraw/zinc/14/26/05/1295142605.db2.gz WOHZONGLDYYRKO-UHFFFAOYSA-N 1 1 330.428 3.443 20 10 EGCDMO CCOc1ccc(O)c(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000183783534 1295142614 /nfs/dbraw/zinc/14/26/14/1295142614.db2.gz WOHZONGLDYYRKO-UHFFFAOYSA-N 1 1 330.428 3.443 20 10 EGCDMO COc1cc(C)cc(C[N@H+]2CCC[C@@H](CC(=O)OC(C)C)C2)c1O ZINC000183803683 1295144004 /nfs/dbraw/zinc/14/40/04/1295144004.db2.gz DEBXHZJZNHTKDD-HNNXBMFYSA-N 1 1 335.444 3.263 20 10 EGCDMO C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1)c1ccc(F)cc1O ZINC000186200726 1295312188 /nfs/dbraw/zinc/31/21/88/1295312188.db2.gz ITZURLIHQBZTCZ-NHYWBVRUSA-N 1 1 338.423 3.485 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000249533451 1296446386 /nfs/dbraw/zinc/44/63/86/1296446386.db2.gz BSCODQLLVVVXHN-YWZLYKJASA-N 1 1 340.467 3.288 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@H](O)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000249533451 1296446391 /nfs/dbraw/zinc/44/63/91/1296446391.db2.gz BSCODQLLVVVXHN-YWZLYKJASA-N 1 1 340.467 3.288 20 10 EGCDMO C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000323957004 1297204463 /nfs/dbraw/zinc/20/44/63/1297204463.db2.gz YPODDHLQCYEAEI-INIZCTEOSA-N 1 1 338.455 3.255 20 10 EGCDMO CC[C@@H]1C[N@H+](Cc2cc(Br)cc(C)c2O)C[C@H](C)O1 ZINC000689173790 1298125571 /nfs/dbraw/zinc/12/55/71/1298125571.db2.gz WLEPKUUTEXZFKJ-SMDDNHRTSA-N 1 1 328.250 3.462 20 10 EGCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@H](C)O1 ZINC000689173790 1298125576 /nfs/dbraw/zinc/12/55/76/1298125576.db2.gz WLEPKUUTEXZFKJ-SMDDNHRTSA-N 1 1 328.250 3.462 20 10 EGCDMO Oc1cccc(Br)c1C[N@H+]1CCC2(C1)CCOCC2 ZINC000707172811 1298226318 /nfs/dbraw/zinc/22/63/18/1298226318.db2.gz XWZNMCGKDRXQRZ-UHFFFAOYSA-N 1 1 326.234 3.157 20 10 EGCDMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3c(C)cccc3O)C2)nc1 ZINC000876598621 1298857844 /nfs/dbraw/zinc/85/78/44/1298857844.db2.gz ZIGDCNDEMZPGEH-MRXNPFEDSA-N 1 1 339.439 3.255 20 10 EGCDMO CO[C@@H](C)C(=[NH2+])NOC=C(O)c1cc(C)n(-c2ccccc2C)c1C ZINC000747864438 1298874011 /nfs/dbraw/zinc/87/40/11/1298874011.db2.gz VRYWYZGRDIUJEN-HNNXBMFYSA-N 1 1 343.427 3.119 20 10 EGCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3c(C)cccc3O)CC2)s1 ZINC000876631240 1298883365 /nfs/dbraw/zinc/88/33/65/1298883365.db2.gz RFQIXXAJDXFAGL-UHFFFAOYSA-N 1 1 330.453 3.029 20 10 EGCDMO CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccc(N3CCC(O)CC3)cc2)C1(C)C ZINC000876797085 1298991588 /nfs/dbraw/zinc/99/15/88/1298991588.db2.gz MFQATSHAWMRJMI-TZIWHRDSSA-N 1 1 346.515 3.283 20 10 EGCDMO C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000876931822 1299072741 /nfs/dbraw/zinc/07/27/41/1299072741.db2.gz WGQUBCNWLDAXMJ-ZWKOTPCHSA-N 1 1 345.531 3.000 20 10 EGCDMO C[C@H](CNCc1ccc(N2CCC(O)CC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000876931822 1299072756 /nfs/dbraw/zinc/07/27/56/1299072756.db2.gz WGQUBCNWLDAXMJ-ZWKOTPCHSA-N 1 1 345.531 3.000 20 10 EGCDMO Cc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)c(N(C)C)[nH+]1 ZINC000877122935 1299167767 /nfs/dbraw/zinc/16/77/67/1299167767.db2.gz KEDLZUFAYXULAK-UHFFFAOYSA-N 1 1 340.471 3.029 20 10 EGCDMO Cc1cccc(O)c1C[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000877168263 1299190892 /nfs/dbraw/zinc/19/08/92/1299190892.db2.gz QTPDYNKFVGLPJF-LSDHHAIUSA-N 1 1 334.460 3.436 20 10 EGCDMO O=C1C[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)Oc2ccccc21 ZINC000877589013 1299417353 /nfs/dbraw/zinc/41/73/53/1299417353.db2.gz FKVHZTJLSJRRNR-LJQANCHMSA-N 1 1 327.355 3.141 20 10 EGCDMO OC1CCN(c2ccc(C[N@H+]3CCSC[C@@H]3C3CCC3)cc2)CC1 ZINC000877593904 1299420018 /nfs/dbraw/zinc/42/00/18/1299420018.db2.gz IWUWFEZNBILXQJ-HXUWFJFHSA-N 1 1 346.540 3.365 20 10 EGCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](CO)c2ccccc2)c1O ZINC000750979079 1299490257 /nfs/dbraw/zinc/49/02/57/1299490257.db2.gz MTHUHDFXZQJZKG-KRWDZBQOSA-N 1 1 333.815 3.414 20 10 EGCDMO COc1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)c(OC)c1 ZINC000877708859 1299497784 /nfs/dbraw/zinc/49/77/84/1299497784.db2.gz YAVOBGQOHGKVJI-GFCCVEGCSA-N 1 1 345.270 3.020 20 10 EGCDMO CC(C)N1CC[NH+](Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753535332 1299965686 /nfs/dbraw/zinc/96/56/86/1299965686.db2.gz CTBARUFXRGTBQA-UHFFFAOYSA-N 1 1 340.467 3.497 20 10 EGCDMO C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)c1cc(F)cc(F)c1O ZINC000756378297 1300479522 /nfs/dbraw/zinc/47/95/22/1300479522.db2.gz BVKIGVCACVAHBQ-LLVKDONJSA-N 1 1 334.366 3.223 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](C2CCCCC2)N(C)C)c1 ZINC000756435004 1300489768 /nfs/dbraw/zinc/48/97/68/1300489768.db2.gz WNKKHDXNTGGLPY-KBXCAEBGSA-N 1 1 348.487 3.340 20 10 EGCDMO Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2cc(F)cc(F)c2O)c1 ZINC000756455515 1300495743 /nfs/dbraw/zinc/49/57/43/1300495743.db2.gz SXMFQRJEGPUTLC-OCCSQVGLSA-N 1 1 337.366 3.069 20 10 EGCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H]2COc3ccccc3C2)c1 ZINC000756458132 1300496286 /nfs/dbraw/zinc/49/62/86/1300496286.db2.gz UCBKWQLJHYVKJW-KBPBESRZSA-N 1 1 341.407 3.081 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCCc3nc(C)ncc32)c1 ZINC000756587139 1300526419 /nfs/dbraw/zinc/52/64/19/1300526419.db2.gz XQZJIGYVGBNVLL-BDJLRTHQSA-N 1 1 341.411 3.005 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ccc(C)c(OC)c2)c1 ZINC000756604780 1300529943 /nfs/dbraw/zinc/52/99/43/1300529943.db2.gz FGSVBDHVEWHYRX-CQSZACIVSA-N 1 1 343.423 3.389 20 10 EGCDMO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2O)C12CCC2 ZINC000756612648 1300532132 /nfs/dbraw/zinc/53/21/32/1300532132.db2.gz LWHYIPJXSTZHRV-JCURWCKSSA-N 1 1 333.428 3.177 20 10 EGCDMO COC[C@@H](Cc1ccccc1)[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O ZINC000756635675 1300537831 /nfs/dbraw/zinc/53/78/31/1300537831.db2.gz GQVPGXTWBJYWTR-RHSMWYFYSA-N 1 1 343.423 3.087 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](CCO)C2CCCCC2)c1 ZINC000756661344 1300543581 /nfs/dbraw/zinc/54/35/81/1300543581.db2.gz RAPAVTMUPHBXKD-CXAGYDPISA-N 1 1 335.444 3.161 20 10 EGCDMO C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)c1cc(F)cc(F)c1O ZINC000756659138 1300543779 /nfs/dbraw/zinc/54/37/79/1300543779.db2.gz NAONSOUAZTXXMF-MRVPVSSYSA-N 1 1 335.276 3.280 20 10 EGCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccc(C)cc32)c1 ZINC000756760359 1300560721 /nfs/dbraw/zinc/56/07/21/1300560721.db2.gz NWGAQHGPXNUWMZ-MLGOLLRUSA-N 1 1 327.380 3.272 20 10 EGCDMO CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000756762021 1300561206 /nfs/dbraw/zinc/56/12/06/1300561206.db2.gz SGXWGFMLQWORCI-HUUCEWRRSA-N 1 1 335.448 3.319 20 10 EGCDMO C[C@@H]1C[C@H]([NH2+]C2CCN([C@@H]3CCC[C@H]3O)CC2)c2c1c(F)ccc2O ZINC000756765936 1300563120 /nfs/dbraw/zinc/56/31/20/1300563120.db2.gz SRKHZMSEMSDLDE-VJUNAUMWSA-N 1 1 348.462 3.047 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900683 1300585842 /nfs/dbraw/zinc/58/58/42/1300585842.db2.gz XGJONBFMUUTDBW-NRFANRHFSA-N 1 1 338.451 3.389 20 10 EGCDMO Cc1cc(C(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000756900683 1300585848 /nfs/dbraw/zinc/58/58/48/1300585848.db2.gz XGJONBFMUUTDBW-NRFANRHFSA-N 1 1 338.451 3.389 20 10 EGCDMO C[C@@H]([NH2+]C1COC(C)(C)OC1)c1cc(Br)c(F)cc1O ZINC000757706034 1300716687 /nfs/dbraw/zinc/71/66/87/1300716687.db2.gz TYFFOVROTIUKOK-MRVPVSSYSA-N 1 1 348.212 3.096 20 10 EGCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](C(C)(C)O)C3)cc2)CC1 ZINC000879964610 1300810793 /nfs/dbraw/zinc/81/07/93/1300810793.db2.gz KMXLGORCWLRKLM-SFHVURJKSA-N 1 1 346.515 3.285 20 10 EGCDMO Cc1cc(N(C)C)ccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000758869056 1300969364 /nfs/dbraw/zinc/96/93/64/1300969364.db2.gz VZPBAJNZACTYEE-UHFFFAOYSA-N 1 1 325.460 3.453 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](C)CC2(O)CCC2)c(C)n1-c1cccc(F)c1 ZINC000759876318 1301182251 /nfs/dbraw/zinc/18/22/51/1301182251.db2.gz JUWKFEGZWHTLIT-UHFFFAOYSA-N 1 1 344.430 3.263 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](C)CC2(O)CCC2)c(C)n1-c1cccc(F)c1 ZINC000759876318 1301182256 /nfs/dbraw/zinc/18/22/56/1301182256.db2.gz JUWKFEGZWHTLIT-UHFFFAOYSA-N 1 1 344.430 3.263 20 10 EGCDMO CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1O ZINC000760893876 1301358505 /nfs/dbraw/zinc/35/85/05/1301358505.db2.gz IGEWJRSOVHZFEJ-UHFFFAOYSA-N 1 1 341.835 3.460 20 10 EGCDMO C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112722 1301404221 /nfs/dbraw/zinc/40/42/21/1301404221.db2.gz LGSJNIPEGMVFPZ-KSSFIOAISA-N 1 1 338.411 3.496 20 10 EGCDMO C[C@H]1C[C@H](O)C[N@H+]1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000761112722 1301404225 /nfs/dbraw/zinc/40/42/25/1301404225.db2.gz LGSJNIPEGMVFPZ-KSSFIOAISA-N 1 1 338.411 3.496 20 10 EGCDMO CN(C)c1ccc(Cn2cc(C[N@@H+](C)C3CCCCC3)nn2)cc1 ZINC000881270844 1301508647 /nfs/dbraw/zinc/50/86/47/1301508647.db2.gz BYEGJNIOEJDLKD-UHFFFAOYSA-N 1 1 327.476 3.157 20 10 EGCDMO O=C1CCCN1c1ccc(C[NH2+]Cc2cc(F)cc(F)c2O)cc1 ZINC000882880879 1302145305 /nfs/dbraw/zinc/14/53/05/1302145305.db2.gz MYUOKAXWMOOBNT-UHFFFAOYSA-N 1 1 332.350 3.087 20 10 EGCDMO C[C@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc([S@](C)=O)cc1 ZINC000883075495 1302232031 /nfs/dbraw/zinc/23/20/31/1302232031.db2.gz CSFYPBXMRVJDGC-MGUXCZDKSA-N 1 1 325.380 3.259 20 10 EGCDMO COc1ccc(N2CC[C@@H](C[NH2+]Cc3cc(F)cc(F)c3O)C2)cc1 ZINC000883150185 1302273143 /nfs/dbraw/zinc/27/31/43/1302273143.db2.gz YRDCEIGTFUXHGV-ZDUSSCGKSA-N 1 1 348.393 3.295 20 10 EGCDMO C[C@@H]([NH2+]Cc1cc(F)cc(F)c1O)c1ccc(N2CCNC2=O)cc1 ZINC000883152448 1302274478 /nfs/dbraw/zinc/27/44/78/1302274478.db2.gz VTSNGAZGIFQZDK-LLVKDONJSA-N 1 1 347.365 3.051 20 10 EGCDMO Cc1cc(C[NH2+]Cc2ccc(N3CCN(C)CC3)cc2)cnc1Cl ZINC000883283324 1302360216 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CN1CCN(c2ccc(C[N@H+]3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC000775650477 1304005543 /nfs/dbraw/zinc/00/55/43/1304005543.db2.gz DOLOGUNXPMSYDA-OAQYLSRUSA-N 1 1 336.483 3.171 20 10 EGCDMO CN1CCN(c2ccc(C[N@H+](C)CCc3cccs3)cc2)CC1 ZINC000775724239 1304021601 /nfs/dbraw/zinc/02/16/01/1304021601.db2.gz KRQLIOUECXCHSO-UHFFFAOYSA-N 1 1 329.513 3.174 20 10 EGCDMO CN1CCN(c2ccc(C[N@@H+](C)CCc3cccs3)cc2)CC1 ZINC000775724239 1304021605 /nfs/dbraw/zinc/02/16/05/1304021605.db2.gz KRQLIOUECXCHSO-UHFFFAOYSA-N 1 1 329.513 3.174 20 10 EGCDMO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)cc2)CCO1 ZINC000776951705 1304222730 /nfs/dbraw/zinc/22/27/30/1304222730.db2.gz FREPVKPLUSFFSR-CTNGQTDRSA-N 1 1 345.531 3.122 20 10 EGCDMO COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000779605755 1304586167 /nfs/dbraw/zinc/58/61/67/1304586167.db2.gz YKPKZRBZPPLMNZ-OAHLLOKOSA-N 1 1 336.451 3.303 20 10 EGCDMO CC(C)c1[nH+]ccn1CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000779773535 1304604542 /nfs/dbraw/zinc/60/45/42/1304604542.db2.gz YVGVLSMLTCIDJP-UHFFFAOYSA-N 1 1 340.471 3.264 20 10 EGCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@@H]1/C=C\c1ccccc1)[C@@H](O)CO2 ZINC000779890385 1304619339 /nfs/dbraw/zinc/61/93/39/1304619339.db2.gz VZUMGZUGXKDMPT-WIIIZXMTSA-N 1 1 337.419 3.496 20 10 EGCDMO COc1ccc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1OC ZINC000891477213 1305061937 /nfs/dbraw/zinc/06/19/37/1305061937.db2.gz DJJJWJPXTPIRIP-UHFFFAOYSA-N 1 1 347.411 3.059 20 10 EGCDMO COCC[N@@H+](Cc1cccs1)Cc1ccc(OC)c(OC)c1O ZINC000891511346 1305073774 /nfs/dbraw/zinc/07/37/74/1305073774.db2.gz UMQLBDQZFJEWPS-UHFFFAOYSA-N 1 1 337.441 3.120 20 10 EGCDMO COc1ccc(CN2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)c(O)c1OC ZINC000891735764 1305151665 /nfs/dbraw/zinc/15/16/65/1305151665.db2.gz NXBWJBVVSFDYAA-HLLBOEOZSA-N 1 1 348.487 3.247 20 10 EGCDMO Cc1cc(C(=O)C[N@H+](CCO)C2CCC2)c(C)n1-c1cccc(F)c1 ZINC000784392440 1305240170 /nfs/dbraw/zinc/24/01/70/1305240170.db2.gz GETPVTXTNVJGFY-UHFFFAOYSA-N 1 1 344.430 3.263 20 10 EGCDMO Cc1cc(C(=O)C[N@@H+](CCO)C2CCC2)c(C)n1-c1cccc(F)c1 ZINC000784392440 1305240176 /nfs/dbraw/zinc/24/01/76/1305240176.db2.gz GETPVTXTNVJGFY-UHFFFAOYSA-N 1 1 344.430 3.263 20 10 EGCDMO COc1ccc(CNC[C@@H](C2CCCCC2)[NH+](C)C)c(O)c1OC ZINC000892597227 1305460923 /nfs/dbraw/zinc/46/09/23/1305460923.db2.gz QJXKYVMQYHXLJG-INIZCTEOSA-N 1 1 336.476 3.010 20 10 EGCDMO COc1ccc(CNC2CC[NH+](CC3CCCC3)CC2)c(O)c1OC ZINC000892749901 1305538767 /nfs/dbraw/zinc/53/87/67/1305538767.db2.gz GVBUVQGRCQZOCK-UHFFFAOYSA-N 1 1 348.487 3.154 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(OC)cc(C(C)(C)C)c2O)[C@@H]1C ZINC000787239909 1305716392 /nfs/dbraw/zinc/71/63/92/1305716392.db2.gz PJTZAFKVWSLRMF-DOMZBBRYSA-N 1 1 335.444 3.082 20 10 EGCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(-c3ccccc3)ccc2O)[C@H]1C ZINC000787421151 1305743220 /nfs/dbraw/zinc/74/32/20/1305743220.db2.gz NVFNFLUAJJMVKD-KSSFIOAISA-N 1 1 325.408 3.443 20 10 EGCDMO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000790960404 1308897425 /nfs/dbraw/zinc/89/74/25/1308897425.db2.gz HENMFCGECDAUDL-UHFFFAOYSA-N 1 1 340.738 3.262 20 10 EGCDMO C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782532 1309068936 /nfs/dbraw/zinc/06/89/36/1309068936.db2.gz LKOJLJCVDJACFI-QMTHXVAHSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782532 1309068944 /nfs/dbraw/zinc/06/89/44/1309068944.db2.gz LKOJLJCVDJACFI-QMTHXVAHSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782532 1309068954 /nfs/dbraw/zinc/06/89/54/1309068954.db2.gz LKOJLJCVDJACFI-QMTHXVAHSA-N 1 1 345.256 3.066 20 10 EGCDMO C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782532 1309068959 /nfs/dbraw/zinc/06/89/59/1309068959.db2.gz LKOJLJCVDJACFI-QMTHXVAHSA-N 1 1 345.256 3.066 20 10 EGCDMO [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000894854558 1309101822 /nfs/dbraw/zinc/10/18/22/1309101822.db2.gz GOMSFXAWYWHGHJ-CYBMUJFWSA-N 1 1 344.224 3.173 20 10 EGCDMO COC(=O)CCC1CC[NH+](Cc2c(O)ccc(Cl)c2F)CC1 ZINC000792167605 1309135154 /nfs/dbraw/zinc/13/51/54/1309135154.db2.gz LJBJKTBCHMFIKE-UHFFFAOYSA-N 1 1 329.799 3.350 20 10 EGCDMO COCC[N@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192856 1309139452 /nfs/dbraw/zinc/13/94/52/1309139452.db2.gz OJGKAAGPVITYKA-RXVVDRJESA-N 1 1 345.531 3.075 20 10 EGCDMO COCC[N@@H+](Cc1ccc(N2CCN(C)CC2)cc1)[C@H]1CC[C@H](C)C1 ZINC000792192856 1309139456 /nfs/dbraw/zinc/13/94/56/1309139456.db2.gz OJGKAAGPVITYKA-RXVVDRJESA-N 1 1 345.531 3.075 20 10 EGCDMO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)c(C(F)(F)F)c1 ZINC000792972724 1309272529 /nfs/dbraw/zinc/27/25/29/1309272529.db2.gz AXOHCJLLRCRBCX-ZDUSSCGKSA-N 1 1 329.410 3.203 20 10 EGCDMO CN(C)c1ccc(CNC[C@@H]2CCC[N@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972724 1309272531 /nfs/dbraw/zinc/27/25/31/1309272531.db2.gz AXOHCJLLRCRBCX-ZDUSSCGKSA-N 1 1 329.410 3.203 20 10 EGCDMO CN(C)c1ccc(CNC[C@@H]2CCC[N@@H+](C)C2)c(C(F)(F)F)c1 ZINC000792972724 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