smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2ccc(O)c(C[N@@H+]3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)c2c1 ZINC001599635665 994284805 /nfs/dbraw/zinc/28/48/05/994284805.db2.gz CJQAGOUFXDMDIY-FUHWJXTLSA-N 0 1 341.407 3.097 20 10 EGCDMN COc1cc(C)cc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1O ZINC001599392714 997067535 /nfs/dbraw/zinc/06/75/35/997067535.db2.gz ZLGLBXAIZLKOTI-UHFFFAOYSA-N 0 1 329.396 3.186 20 10 EGCDMN COc1cc(C[N@H+]2CCC[C@](C)(C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001599407704 997356173 /nfs/dbraw/zinc/35/61/73/997356173.db2.gz QHCILVGGSVSFMI-IBGZPJMESA-N 0 1 335.444 3.385 20 10 EGCDMN COc1cc(Cl)cc(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC001599420308 997582492 /nfs/dbraw/zinc/58/24/92/997582492.db2.gz FEBOIPJPBRLUII-UHFFFAOYSA-N 0 1 347.798 3.311 20 10 EGCDMN CO[C@@H](C)c1nc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cs1 ZINC001599043588 999134978 /nfs/dbraw/zinc/13/49/78/999134978.db2.gz XMIQUYYRTLHKHS-UWVGGRQHSA-N 0 1 336.413 3.105 20 10 EGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2c2cccs2)cc1 ZINC000007216301 453047220 /nfs/dbraw/zinc/04/72/20/453047220.db2.gz WPXVAPYNXOWXIO-KRWDZBQOSA-N 0 1 343.496 3.267 20 10 EGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])CC1CCOCC1 ZINC000076118421 453967168 /nfs/dbraw/zinc/96/71/68/453967168.db2.gz ADDRZJRLEOWZBD-UHFFFAOYSA-N 0 1 328.250 3.403 20 10 EGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])CC1CCOCC1 ZINC000076118421 453967172 /nfs/dbraw/zinc/96/71/72/453967172.db2.gz ADDRZJRLEOWZBD-UHFFFAOYSA-N 0 1 328.250 3.403 20 10 EGCDMN CC(C)N(C(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000070976190 454191372 /nfs/dbraw/zinc/19/13/72/454191372.db2.gz ROPNMEPDDKNRLK-SFHVURJKSA-N 0 1 348.487 3.019 20 10 EGCDMN Cc1ccc(S(=O)(=O)C[C@H](C)NCc2ccc(N(C)C)cc2)cc1 ZINC000119900450 454234968 /nfs/dbraw/zinc/23/49/68/454234968.db2.gz IKDPRZZXMCALIS-INIZCTEOSA-N 0 1 346.496 3.013 20 10 EGCDMN COC[C@@H](NCc1cc(Cl)cc(OC)c1O)c1ccc(C)o1 ZINC000184709659 455433569 /nfs/dbraw/zinc/43/35/69/455433569.db2.gz IOALORSWTOJESY-CYBMUJFWSA-N 0 1 325.792 3.433 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCC2CCOCC2)c1[O-] ZINC000120689837 454334617 /nfs/dbraw/zinc/33/46/17/454334617.db2.gz PIWPBRMNZQJSPM-UHFFFAOYSA-N 0 1 325.836 3.497 20 10 EGCDMN CCN(CC)c1ccc(CN2CCCN(C(=O)C(C)C)CC2)cc1 ZINC000123626252 454658597 /nfs/dbraw/zinc/65/85/97/454658597.db2.gz DURTZHQPGWNGFQ-UHFFFAOYSA-N 0 1 331.504 3.223 20 10 EGCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234985 454859080 /nfs/dbraw/zinc/85/90/80/454859080.db2.gz DLPRJIKUSVITEF-MRXNPFEDSA-N 0 1 330.815 3.283 20 10 EGCDMN COc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])ccn1 ZINC000184974072 455480765 /nfs/dbraw/zinc/48/07/65/455480765.db2.gz VFIOFEIIYAUTJW-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000112583578 454891778 /nfs/dbraw/zinc/89/17/78/454891778.db2.gz WTRLMKVUYVYIRY-CQSZACIVSA-N 0 1 328.412 3.250 20 10 EGCDMN CCCN(CC(=O)Nc1ccccc1OC)Cc1cc(F)ccc1O ZINC000179884552 455094139 /nfs/dbraw/zinc/09/41/39/455094139.db2.gz OCJVANZYMQHPPW-UHFFFAOYSA-N 0 1 346.402 3.391 20 10 EGCDMN CCCOc1ccc(CN2CCCN(CC(F)(F)F)CC2)c(O)c1 ZINC000129483408 455113801 /nfs/dbraw/zinc/11/38/01/455113801.db2.gz IQCLUFUUYRFIHR-UHFFFAOYSA-N 0 1 346.393 3.251 20 10 EGCDMN CCN(CC)[C@H](C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000152516313 455130362 /nfs/dbraw/zinc/13/03/62/455130362.db2.gz FWXGTCDCQURHPY-IBGZPJMESA-N 0 1 325.456 3.011 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000129893491 455133011 /nfs/dbraw/zinc/13/30/11/455133011.db2.gz JBMADRUOXQAXPY-LLVKDONJSA-N 0 1 326.234 3.156 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129893491 455133015 /nfs/dbraw/zinc/13/30/15/455133015.db2.gz JBMADRUOXQAXPY-LLVKDONJSA-N 0 1 326.234 3.156 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000268311388 455647764 /nfs/dbraw/zinc/64/77/64/455647764.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N 0 1 347.386 3.415 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1[O-] ZINC000268311388 455647767 /nfs/dbraw/zinc/64/77/67/455647767.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N 0 1 347.386 3.415 20 10 EGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000268311388 455647773 /nfs/dbraw/zinc/64/77/73/455647773.db2.gz XQRSWBBWYFVSOQ-NVXWUHKLSA-N 0 1 347.386 3.415 20 10 EGCDMN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185952991 455661274 /nfs/dbraw/zinc/66/12/74/455661274.db2.gz JZWXKUCIDPVDIN-LBPRGKRZSA-N 0 1 348.830 3.135 20 10 EGCDMN C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1[O-] ZINC000186115587 455696441 /nfs/dbraw/zinc/69/64/41/455696441.db2.gz FQPDLUPMSZAQOU-CABZTGNLSA-N 0 1 336.233 3.086 20 10 EGCDMN Cc1cc(CN(C)Cc2ccc([S@@](C)=O)cc2)ccc1N(C)C ZINC000292735847 455743810 /nfs/dbraw/zinc/74/38/10/455743810.db2.gz GYVCMPUMLCHPNF-HSZRJFAPSA-N 0 1 330.497 3.430 20 10 EGCDMN COc1c(O)c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221188 455790079 /nfs/dbraw/zinc/79/00/79/455790079.db2.gz LNWNXQNIIMFDAJ-LLVKDONJSA-N 0 1 332.356 3.208 20 10 EGCDMN COc1c([O-])c(C[N@@H+](C)[C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278221188 455790086 /nfs/dbraw/zinc/79/00/86/455790086.db2.gz LNWNXQNIIMFDAJ-LLVKDONJSA-N 0 1 332.356 3.208 20 10 EGCDMN Cc1cc(CN[C@@H](C)c2cc(F)ccc2O)nc(N2CCCC2)n1 ZINC000293655348 455793639 /nfs/dbraw/zinc/79/36/39/455793639.db2.gz LOEKKZGVNIOOIA-ZDUSSCGKSA-N 0 1 330.407 3.081 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293830623 455798637 /nfs/dbraw/zinc/79/86/37/455798637.db2.gz GLOHHKLOOPUNER-CQSZACIVSA-N 0 1 326.234 3.034 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293830623 455798638 /nfs/dbraw/zinc/79/86/38/455798638.db2.gz GLOHHKLOOPUNER-CQSZACIVSA-N 0 1 326.234 3.034 20 10 EGCDMN CC(=O)c1cc(F)cc(CN2CC[C@@]3(C2)OCc2ccccc23)c1O ZINC000186696114 455821223 /nfs/dbraw/zinc/82/12/23/455821223.db2.gz ZGQMLBCKTRWWEA-FQEVSTJZSA-N 0 1 341.382 3.365 20 10 EGCDMN Oc1c(Cl)cc(Cl)cc1CNc1cccnc1-n1cncn1 ZINC000194376287 455833544 /nfs/dbraw/zinc/83/35/44/455833544.db2.gz ZRZBWGQVIVDXFJ-UHFFFAOYSA-N 0 1 336.182 3.287 20 10 EGCDMN Cc1cccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280196546 455914597 /nfs/dbraw/zinc/91/45/97/455914597.db2.gz HRGNQYZXZFPCLW-AWEZNQCLSA-N 0 1 341.329 3.422 20 10 EGCDMN COCCN(Cc1cccnc1)Cc1cc(Cl)cc(OC)c1O ZINC000289445657 456125411 /nfs/dbraw/zinc/12/54/11/456125411.db2.gz MKKXBGBNSTZUHB-UHFFFAOYSA-N 0 1 336.819 3.098 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273049490 456159375 /nfs/dbraw/zinc/15/93/75/456159375.db2.gz YDTNPEIPYDDVEB-JNDILOIQSA-N 0 1 349.427 3.322 20 10 EGCDMN C[C@@H]([NH2+]C[C@](C)(O)C(F)(F)F)c1ccc(Br)cc1[O-] ZINC000273467827 456232751 /nfs/dbraw/zinc/23/27/51/456232751.db2.gz JFXKTDDGBOEMOQ-HQJQHLMTSA-N 0 1 342.155 3.119 20 10 EGCDMN CCN(CC)c1ccc(CNCc2cnc([C@@H](C)O)s2)cc1F ZINC000290406289 456319480 /nfs/dbraw/zinc/31/94/80/456319480.db2.gz PVFOTVMBPWMZNC-GFCCVEGCSA-N 0 1 337.464 3.472 20 10 EGCDMN CCN1CCN(c2ccc(CNc3ncncc3Cl)cc2F)CC1 ZINC000302647757 456368463 /nfs/dbraw/zinc/36/84/63/456368463.db2.gz MLBSTVSKYLXYSP-UHFFFAOYSA-N 0 1 349.841 3.023 20 10 EGCDMN Cc1nnsc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000291781234 456755943 /nfs/dbraw/zinc/75/59/43/456755943.db2.gz UYPBBFCCFLWPHQ-UHFFFAOYSA-N 0 1 330.379 3.221 20 10 EGCDMN Cc1cc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000301220014 456825099 /nfs/dbraw/zinc/82/50/99/456825099.db2.gz ADABNMXOFASISH-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN Cc1cc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000301220014 456825104 /nfs/dbraw/zinc/82/51/04/456825104.db2.gz ADABNMXOFASISH-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1COc2ccccc21 ZINC000377101023 458462775 /nfs/dbraw/zinc/46/27/75/458462775.db2.gz RTYFFWUPBIGBGS-GFCCVEGCSA-N 0 1 338.190 3.491 20 10 EGCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000377628617 458507030 /nfs/dbraw/zinc/50/70/30/458507030.db2.gz OEQUICCTXMEAMK-ZDUSSCGKSA-N 0 1 341.732 3.464 20 10 EGCDMN CCOC[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666013 459833148 /nfs/dbraw/zinc/83/31/48/459833148.db2.gz IRRMPQURUBKDKF-IBGZPJMESA-N 0 1 327.424 3.297 20 10 EGCDMN CCOC[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000529666014 459833289 /nfs/dbraw/zinc/83/32/89/459833289.db2.gz IRRMPQURUBKDKF-LJQANCHMSA-N 0 1 327.424 3.297 20 10 EGCDMN CC[C@H](N[C@@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017379 522702390 /nfs/dbraw/zinc/70/23/90/522702390.db2.gz IJTPXQGYCQUZBO-CABZTGNLSA-N 0 1 339.237 3.085 20 10 EGCDMN CSc1n[nH]c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000727486640 574670530 /nfs/dbraw/zinc/67/05/30/574670530.db2.gz NVIJGVSWPHPXFA-UHFFFAOYSA-N 0 1 327.413 3.186 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)C3(C)CCCC3)cc2F)CC1 ZINC000730192938 574940182 /nfs/dbraw/zinc/94/01/82/574940182.db2.gz RYRISHFSPUEDPD-UHFFFAOYSA-N 0 1 347.478 3.164 20 10 EGCDMN CN(Cc1ccccc1O)C(=O)c1cccc(Br)c1O ZINC000730278803 574965249 /nfs/dbraw/zinc/96/52/49/574965249.db2.gz WKHYNPQMBVLCEE-UHFFFAOYSA-N 0 1 336.185 3.133 20 10 EGCDMN CCN(CC)[C@@H](C(=O)NCc1cc(OC)ccc1O)c1ccccc1 ZINC000734016468 575427374 /nfs/dbraw/zinc/42/73/74/575427374.db2.gz TVTRIAUYUBERQK-LJQANCHMSA-N 0 1 342.439 3.100 20 10 EGCDMN C[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756615705 576160039 /nfs/dbraw/zinc/16/00/39/576160039.db2.gz FZUXMVVLFZJJBS-VXGBXAGGSA-N 0 1 327.266 3.290 20 10 EGCDMN O=C([O-])[C@H]1CCC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000739583878 576431692 /nfs/dbraw/zinc/43/16/92/576431692.db2.gz YRNSIUYARKSITD-LBPRGKRZSA-N 0 1 329.396 3.314 20 10 EGCDMN O=C([O-])c1cccc(C[NH2+]Cc2cccc(Br)c2O)c1 ZINC000821552225 598194249 /nfs/dbraw/zinc/19/42/49/598194249.db2.gz AOBCTJGJORXALH-UHFFFAOYSA-N 0 1 336.185 3.143 20 10 EGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H]3COCC[C@H]32)c1O ZINC000833308359 601636928 /nfs/dbraw/zinc/63/69/28/601636928.db2.gz RIBNPHACMUGZNA-RDTXWAMCSA-N 0 1 341.407 3.245 20 10 EGCDMN CCOc1ccc(O)c(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000833662409 604542687 /nfs/dbraw/zinc/54/26/87/604542687.db2.gz FZCJAUAHDKGIMI-UHFFFAOYSA-N 0 1 329.396 3.268 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCCCC[C@H]2C(=O)[O-])c1O ZINC000833400656 605846666 /nfs/dbraw/zinc/84/66/66/605846666.db2.gz KFYHWUNCGJXIHV-AWEZNQCLSA-N 0 1 325.792 3.077 20 10 EGCDMN Cc1cccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)c1 ZINC000063824281 1292025356 /nfs/dbraw/zinc/02/53/56/1292025356.db2.gz MGGJQLAULMMEHK-PTNGSMBKSA-N 0 1 332.494 3.290 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)Cc2cccc(N(C)C)c2)c1O ZINC000089921886 1292781508 /nfs/dbraw/zinc/78/15/08/1292781508.db2.gz KNNBNSSKSCOIDU-UHFFFAOYSA-N 0 1 330.403 3.432 20 10 EGCDMN C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1O ZINC000111236067 1293102247 /nfs/dbraw/zinc/10/22/47/1293102247.db2.gz LUTWQGZRVWSGPF-LJQANCHMSA-N 0 1 338.451 3.408 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN[C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000122462947 1293413253 /nfs/dbraw/zinc/41/32/53/1293413253.db2.gz RRNGUZQBSQIGCJ-INIZCTEOSA-N 0 1 346.496 3.013 20 10 EGCDMN COc1cc(CN2CCO[C@@](C)(c3ccccc3)C2)c(O)cc1C ZINC000160406693 1294268137 /nfs/dbraw/zinc/26/81/37/1294268137.db2.gz SRHMXVMGMHVIFD-HXUWFJFHSA-N 0 1 327.424 3.457 20 10 EGCDMN CCOC(=O)[C@H]1CCCCN1Cc1cccc(Br)c1O ZINC000161263875 1294288175 /nfs/dbraw/zinc/28/81/75/1294288175.db2.gz UJZBWQYHZPBKDL-CYBMUJFWSA-N 0 1 342.233 3.072 20 10 EGCDMN CN(Cc1ccccc1O)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000163002631 1294326285 /nfs/dbraw/zinc/32/62/85/1294326285.db2.gz NSMZAQJRWFZJPW-INIZCTEOSA-N 0 1 348.805 3.422 20 10 EGCDMN CCOC(=O)CC[N@@H+](Cc1cccnc1)Cc1cc(C)cc(C)c1O ZINC000164220770 1294345775 /nfs/dbraw/zinc/34/57/75/1294345775.db2.gz MJZGHUHAHZUVTK-UHFFFAOYSA-N 0 1 342.439 3.359 20 10 EGCDMN CN(C)c1ccc(CN2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000179989969 1294849588 /nfs/dbraw/zinc/84/95/88/1294849588.db2.gz NENOGZKWVDDEJT-UHFFFAOYSA-N 0 1 333.476 3.195 20 10 EGCDMN Cc1cc([C@H](C)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)o1 ZINC000183778219 1295142684 /nfs/dbraw/zinc/14/26/84/1295142684.db2.gz PYRYZGGUOQXUCH-HNNXBMFYSA-N 0 1 343.471 3.272 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1[O-] ZINC000320085573 1297160235 /nfs/dbraw/zinc/16/02/35/1297160235.db2.gz YBHIODFXUBMZGP-XHDPSFHLSA-N 0 1 325.836 3.374 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]CCSC(F)(F)F ZINC000706843227 1298223987 /nfs/dbraw/zinc/22/39/87/1298223987.db2.gz OONCVYRTHZKKDN-UHFFFAOYSA-N 0 1 330.169 3.497 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000715139436 1298278079 /nfs/dbraw/zinc/27/80/79/1298278079.db2.gz GCAQMIGNGWGEDE-YEORSEQZSA-N 0 1 340.851 3.439 20 10 EGCDMN CCC(CC)(CC(=O)OC)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000749287220 1299186918 /nfs/dbraw/zinc/18/69/18/1299186918.db2.gz FGSSRJRJNDQOFY-UHFFFAOYSA-N 0 1 344.249 3.366 20 10 EGCDMN Cc1cc(O)c([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1Cl ZINC000877844044 1299606289 /nfs/dbraw/zinc/60/62/89/1299606289.db2.gz XSSAWBOTHKNBER-CQSZACIVSA-N 0 1 327.775 3.200 20 10 EGCDMN C[C@H]([NH2+]CCOc1cccnc1)c1cc(Br)ccc1[O-] ZINC000756570149 1300522681 /nfs/dbraw/zinc/52/26/81/1300522681.db2.gz AMTLYGOBMYVVBR-NSHDSACASA-N 0 1 337.217 3.279 20 10 EGCDMN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000756619259 1300532990 /nfs/dbraw/zinc/53/29/90/1300532990.db2.gz XCTZKMZKXRGIDO-RYUDHWBXSA-N 0 1 327.266 3.290 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000756765670 1300562361 /nfs/dbraw/zinc/56/23/61/1300562361.db2.gz QJDUONTWJJMRMC-TZMCWYRMSA-N 0 1 325.836 3.424 20 10 EGCDMN C[C@@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756776840 1300565076 /nfs/dbraw/zinc/56/50/76/1300565076.db2.gz SIKIFYYGAWLSGV-APPZFPTMSA-N 0 1 342.155 3.119 20 10 EGCDMN C[C@H](NC(=O)[C@H]1c2cn[nH]c2CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000879538838 1300587177 /nfs/dbraw/zinc/58/71/77/1300587177.db2.gz KIWAVOLFDJYDSP-ZJNRKIDTSA-N 0 1 326.444 3.019 20 10 EGCDMN Cc1cc(Br)cc(CN2CCOCC3(CCC3)C2)c1O ZINC000761225795 1301424233 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OQFKFIPOGBWENO-JSGCOSHPSA-N 0 1 348.855 3.202 20 10 EGCDMN COc1cc([O-])c(C[NH+]2CCC3(CCOCC3)CC2)cc1Cl ZINC001232269908 1376426791 /nfs/dbraw/zinc/42/67/91/1376426791.db2.gz MZONLIKVOGRQLG-UHFFFAOYSA-N 0 1 325.836 3.447 20 10 EGCDMN CC(=O)[C@@H]1CCCCN1Cc1c(O)cc(Br)cc1F ZINC001233029172 1376558077 /nfs/dbraw/zinc/55/80/77/1376558077.db2.gz AQFNVWATBZQIBG-ZDUSSCGKSA-N 0 1 330.197 3.237 20 10 EGCDMN Cc1nc([C@@H]2COCCN2Cc2ccc(F)c(F)c2O)cs1 ZINC001233075248 1376563464 /nfs/dbraw/zinc/56/34/64/1376563464.db2.gz SYKMWROIWYKVTC-ZDUSSCGKSA-N 0 1 326.368 3.009 20 10 EGCDMN [O-]c1c(C[N@H+]2CCN3CCc4ccccc4[C@@H]3C2)ccc(F)c1F ZINC001233078034 1376564512 /nfs/dbraw/zinc/56/45/12/1376564512.db2.gz DNMXLTNWBVNJCS-KRWDZBQOSA-N 0 1 330.378 3.085 20 10 EGCDMN Cc1cc(Br)cc(CN2CCC[C@]3(CCO3)C2)c1O ZINC001233110126 1376570163 /nfs/dbraw/zinc/57/01/63/1376570163.db2.gz UUEGWDZQTBNOSL-HNNXBMFYSA-N 0 1 326.234 3.218 20 10 EGCDMN COc1cc(Cl)cc(CN(C)Cc2cccc3c2OCO3)c1O ZINC001233291195 1376605655 /nfs/dbraw/zinc/60/56/55/1376605655.db2.gz PWXQBVWAMMBOEU-UHFFFAOYSA-N 0 1 335.787 3.415 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001233335074 1376619587 /nfs/dbraw/zinc/61/95/87/1376619587.db2.gz GMBLWHABBAJFHI-HOTGVXAUSA-N 0 1 344.405 3.234 20 10 EGCDMN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233335940 1376619595 /nfs/dbraw/zinc/61/95/95/1376619595.db2.gz RTVSOCBMXNZRTA-LLVKDONJSA-N 0 1 327.371 3.224 20 10 EGCDMN CCC[N@@H+](CCC[NH+](C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305216 1376866577 /nfs/dbraw/zinc/86/65/77/1376866577.db2.gz KHRYUCLVWUCJAX-UHFFFAOYSA-N 0 1 347.272 3.458 20 10 EGCDMN CCC[N@H+](CCCN(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305216 1376866582 /nfs/dbraw/zinc/86/65/82/1376866582.db2.gz KHRYUCLVWUCJAX-UHFFFAOYSA-N 0 1 347.272 3.458 20 10 EGCDMN CCC[N@@H+](CCCN(C)C)Cc1cc(F)cc(Br)c1[O-] ZINC001235305216 1376866585 /nfs/dbraw/zinc/86/65/85/1376866585.db2.gz KHRYUCLVWUCJAX-UHFFFAOYSA-N 0 1 347.272 3.458 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001236270501 1376947399 /nfs/dbraw/zinc/94/73/99/1376947399.db2.gz LKRZWVCSZXNXGX-OAHLLOKOSA-N 0 1 332.394 3.425 20 10 EGCDMN CCOC[C@@H]1CN(Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052624 1376972928 /nfs/dbraw/zinc/97/29/28/1376972928.db2.gz XGGTUMQPTUVISC-SFHVURJKSA-N 0 1 343.471 3.385 20 10 EGCDMN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831926 1377624160 /nfs/dbraw/zinc/62/41/60/1377624160.db2.gz SMWJIZANQMXUBB-ZDUSSCGKSA-N 0 1 338.423 3.220 20 10 EGCDMN Cc1cc(CN2CCN(c3cncnc3)CC2)c(C)n1-c1ccccc1 ZINC001137859221 1377632486 /nfs/dbraw/zinc/63/24/86/1377632486.db2.gz OFOQCEMMAXQXHZ-UHFFFAOYSA-N 0 1 347.466 3.206 20 10 EGCDMN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC001138129534 1377682623 /nfs/dbraw/zinc/68/26/23/1377682623.db2.gz JHMYKSYCCGSRQF-OCCSQVGLSA-N 0 1 338.423 3.266 20 10 EGCDMN CC[N@@H+](Cc1cn(CC(=O)[O-])c2ccccc12)Cc1ccccc1O ZINC001138196072 1377689519 /nfs/dbraw/zinc/68/95/19/1377689519.db2.gz QVPUUIPCJAIPBZ-UHFFFAOYSA-N 0 1 338.407 3.454 20 10 EGCDMN COC[C@@]12CCC[C@@H]1C[N@@H+](Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139126024 1377834002 /nfs/dbraw/zinc/83/40/02/1377834002.db2.gz UBDZPGNIUZVKAJ-VLIAUNLRSA-N 0 1 343.423 3.056 20 10 EGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](CCCCCO)C(C)C ZINC001139133597 1377835389 /nfs/dbraw/zinc/83/53/89/1377835389.db2.gz ITDSRQSYARPFFA-UHFFFAOYSA-N 0 1 333.428 3.180 20 10 EGCDMN CCOCc1ncn2c1CN(Cc1ccc(N(C)C)c(C)c1)CCC2 ZINC001139671902 1377930879 /nfs/dbraw/zinc/93/08/79/1377930879.db2.gz QNSPFMKVAZFVTL-UHFFFAOYSA-N 0 1 342.487 3.200 20 10 EGCDMN COc1ccccc1N1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685800 1377933719 /nfs/dbraw/zinc/93/37/19/1377933719.db2.gz XQKUGQJWUFLFGR-UHFFFAOYSA-N 0 1 334.366 3.001 20 10 EGCDMN [O-]c1c(F)ccc(F)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001139684483 1377933756 /nfs/dbraw/zinc/93/37/56/1377933756.db2.gz WKUBSOUOFVYWAH-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001139684483 1377933757 /nfs/dbraw/zinc/93/37/57/1377933757.db2.gz WKUBSOUOFVYWAH-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001139684483 1377933759 /nfs/dbraw/zinc/93/37/59/1377933759.db2.gz WKUBSOUOFVYWAH-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN Cc1ccc(C)c(CN2C[C@H]3C[C@@H](C2)N3C(=O)OC(C)(C)C)c1O ZINC001140180882 1378027427 /nfs/dbraw/zinc/02/74/27/1378027427.db2.gz MZZPYWFJTOIEHW-GASCZTMLSA-N 0 1 332.444 3.203 20 10 EGCDMN COc1ccc(N2CCN(Cc3[nH]nc4ccc(C)cc43)CC2)cc1 ZINC001140327742 1378046102 /nfs/dbraw/zinc/04/61/02/1378046102.db2.gz GHVWHMMUDTZIJZ-UHFFFAOYSA-N 0 1 336.439 3.202 20 10 EGCDMN COC[C@@H]1COCCC12CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140338882 1378048382 /nfs/dbraw/zinc/04/83/82/1378048382.db2.gz AEYVVXDDKUOFPA-CQSZACIVSA-N 0 1 339.863 3.311 20 10 EGCDMN CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001140338729 1378048493 /nfs/dbraw/zinc/04/84/93/1378048493.db2.gz NKJPRGWJLPCOHL-GTNSWQLSSA-N 0 1 338.835 3.145 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140340109 1378049008 /nfs/dbraw/zinc/04/90/08/1378049008.db2.gz RIAVCJOIPUNNIV-UHFFFAOYSA-N 0 1 329.831 3.314 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140340109 1378049011 /nfs/dbraw/zinc/04/90/11/1378049011.db2.gz RIAVCJOIPUNNIV-UHFFFAOYSA-N 0 1 329.831 3.314 20 10 EGCDMN COc1ccnc(O[C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342524 1378050292 /nfs/dbraw/zinc/05/02/92/1378050292.db2.gz NLAKTKDKDVKUHS-ZDUSSCGKSA-N 0 1 334.803 3.103 20 10 EGCDMN COc1ccnc(O[C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)c1 ZINC001140342524 1378050295 /nfs/dbraw/zinc/05/02/95/1378050295.db2.gz NLAKTKDKDVKUHS-ZDUSSCGKSA-N 0 1 334.803 3.103 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140343979 1378050420 /nfs/dbraw/zinc/05/04/20/1378050420.db2.gz BNEABUOGDUUPAL-KSSFIOAISA-N 0 1 337.847 3.206 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 ZINC001140343979 1378050421 /nfs/dbraw/zinc/05/04/21/1378050421.db2.gz BNEABUOGDUUPAL-KSSFIOAISA-N 0 1 337.847 3.206 20 10 EGCDMN CC(C)CN1CC[C@@]2(CCC[N@@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001273304567 1378095875 /nfs/dbraw/zinc/09/58/75/1378095875.db2.gz NXQMWOCMOQYMSU-FQEVSTJZSA-N 0 1 348.462 3.392 20 10 EGCDMN Cc1ccc(O)c(CN2CCC[C@H]3[C@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619539 1378099656 /nfs/dbraw/zinc/09/96/56/1378099656.db2.gz GUSBYQVBOPBIGQ-JKSUJKDBSA-N 0 1 332.444 3.284 20 10 EGCDMN CCCCN1CC[C@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374713 1378100840 /nfs/dbraw/zinc/10/08/40/1378100840.db2.gz QHFMNEVYXYIVMF-GOSISDBHSA-N 0 1 338.398 3.037 20 10 EGCDMN Cc1nccnc1O[C@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926501 1378183355 /nfs/dbraw/zinc/18/33/55/1378183355.db2.gz MPEPOULYESWJIO-INIZCTEOSA-N 0 1 346.862 3.158 20 10 EGCDMN CN1CCN(Cc2ccc3c(c2)OCCN3C)[C@H](c2ccccc2)C1 ZINC001141139263 1378247177 /nfs/dbraw/zinc/24/71/77/1378247177.db2.gz OUGSCNBIROFHCF-FQEVSTJZSA-N 0 1 337.467 3.004 20 10 EGCDMN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367691 1378311912 /nfs/dbraw/zinc/31/19/12/1378311912.db2.gz MJYLXYYLWXOXLO-KWQFWETISA-N 0 1 334.641 3.011 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001142531444 1378454301 /nfs/dbraw/zinc/45/43/01/1378454301.db2.gz XPNYTAVSQNAVRV-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001142531444 1378454303 /nfs/dbraw/zinc/45/43/03/1378454303.db2.gz XPNYTAVSQNAVRV-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Br)c(F)cc2[O-])[C@H](C)C1 ZINC001144308679 1378715182 /nfs/dbraw/zinc/71/51/82/1378715182.db2.gz SVASCTDTXQMEBH-MWLCHTKSSA-N 0 1 332.213 3.293 20 10 EGCDMN CC(C)[N@@H+](C)[C@@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144308208 1378715529 /nfs/dbraw/zinc/71/55/29/1378715529.db2.gz SMTRHZJNWUHMEN-GFCCVEGCSA-N 0 1 345.256 3.208 20 10 EGCDMN CN1CCN(c2ccc(CNc3nccc4scnc43)cc2)CC1 ZINC001156657176 1380605267 /nfs/dbraw/zinc/60/52/67/1380605267.db2.gz GDZYOLSLLAWLSM-UHFFFAOYSA-N 0 1 339.468 3.055 20 10 EGCDMN CN1CCN(c2ccc(CN[C@@H](F)c3ccnc(Cl)c3)cc2)CC1 ZINC001156655809 1380605591 /nfs/dbraw/zinc/60/55/91/1380605591.db2.gz LLBXGDIVMGIWQO-GOSISDBHSA-N 0 1 348.853 3.245 20 10 EGCDMN COc1cc2ccnc(NCc3ccc(O)c(O)c3)c2cc1OC ZINC001158995878 1381500739 /nfs/dbraw/zinc/50/07/39/1381500739.db2.gz PIYPIHFACSZZRQ-UHFFFAOYSA-N 0 1 326.352 3.275 20 10 EGCDMN COc1ccc(N(C)CCN(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC001328707863 1388819292 /nfs/dbraw/zinc/81/92/92/1388819292.db2.gz HHMBYAKIJVRYGM-XMMPIXPASA-N 0 1 346.496 3.001 20 10 EGCDMN COc1c(C)cccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167437367 1383634459 /nfs/dbraw/zinc/63/44/59/1383634459.db2.gz SCYUGYRXVLCEMT-UHFFFAOYSA-N 0 1 325.456 3.368 20 10 EGCDMN Cc1nc2ccccc2nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167437334 1383634470 /nfs/dbraw/zinc/63/44/70/1383634470.db2.gz QTLZLBNTSXLYTC-UHFFFAOYSA-N 0 1 347.466 3.302 20 10 EGCDMN CC1(C)C[C@H](N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CO1 ZINC001172290661 1384760826 /nfs/dbraw/zinc/76/08/26/1384760826.db2.gz DUQKZULTNNGADH-AWEZNQCLSA-N 0 1 344.377 3.275 20 10 EGCDMN C[C@]1(CO)CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC001319951110 1386413017 /nfs/dbraw/zinc/41/30/17/1386413017.db2.gz YLTPDTQWRKQVSP-IBGZPJMESA-N 0 1 347.459 3.180 20 10 EGCDMN COc1ccc([N+](=O)[O-])c(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001346939779 1390987776 /nfs/dbraw/zinc/98/77/76/1390987776.db2.gz BBMKBLMAWGTZQW-UHFFFAOYSA-N 0 1 348.702 3.045 20 10 EGCDMN Cc1cccc([C@@H](O)C[NH2+]Cc2c([O-])cccc2Br)c1 ZINC001351327174 1391627650 /nfs/dbraw/zinc/62/76/50/1391627650.db2.gz ACBCPZNUCCZBHM-INIZCTEOSA-N 0 1 336.229 3.286 20 10 EGCDMN C[C@H]([NH2+]C1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccc(N(C)C)cc1 ZINC000824538107 1427557279 /nfs/dbraw/zinc/55/72/79/1427557279.db2.gz HJTJPBKRTOHCRP-AWEZNQCLSA-N 0 1 348.454 3.273 20 10 EGCDMN C[C@@H](C[N@@H+](C)Cc1ccc2c(c1)CCN2Cc1ccccc1)C(=O)[O-] ZINC000840999043 955587759 /nfs/dbraw/zinc/58/77/59/955587759.db2.gz MZGRODYYUUZEHO-INIZCTEOSA-N 0 1 338.451 3.402 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000843039253 955620930 /nfs/dbraw/zinc/62/09/30/955620930.db2.gz BVOJJLKYSKFNAX-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000843039253 955620936 /nfs/dbraw/zinc/62/09/36/955620936.db2.gz BVOJJLKYSKFNAX-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1 ZINC000843039253 955620944 /nfs/dbraw/zinc/62/09/44/955620944.db2.gz BVOJJLKYSKFNAX-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN CCN(C)c1ccc(C[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)cc1 ZINC001346256161 962330701 /nfs/dbraw/zinc/33/07/01/962330701.db2.gz OKHAMWAHKVZSFX-UHFFFAOYSA-N 0 1 342.439 3.238 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000817880875 969185003 /nfs/dbraw/zinc/18/50/03/969185003.db2.gz LBMFMZVQYKKWPE-QWRGUYRKSA-N 0 1 342.233 3.148 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000817880875 969185008 /nfs/dbraw/zinc/18/50/08/969185008.db2.gz LBMFMZVQYKKWPE-QWRGUYRKSA-N 0 1 342.233 3.148 20 10 EGCDMN CC[C@H](C)C[C@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001594953298 982678576 /nfs/dbraw/zinc/67/85/76/982678576.db2.gz NCZCHPIFEIQZMZ-CABZTGNLSA-N 0 1 330.222 3.134 20 10 EGCDMN CN(C)c1cc(F)c(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1F ZINC001598306444 991264939 /nfs/dbraw/zinc/26/49/39/991264939.db2.gz WBRDTLRFARLRTF-CYBMUJFWSA-N 0 1 340.414 3.354 20 10 EGCDMN CSC1(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CCC1 ZINC001599783030 992390411 /nfs/dbraw/zinc/39/04/11/992390411.db2.gz BYVVIQHXTIQHAA-UHFFFAOYSA-N 0 1 329.849 3.218 20 10 EGCDMN COC(=O)[C@H]1CC[C@@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000193875261 455783655 /nfs/dbraw/zinc/78/36/55/455783655.db2.gz YGVOGWYXAQADSJ-JFGNBEQYSA-N 0 1 342.233 3.147 20 10 EGCDMN COc1ccc(N2CCCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000076851251 454043690 /nfs/dbraw/zinc/04/36/90/454043690.db2.gz ZGAJWDHZCVDWHX-UHFFFAOYSA-N 0 1 336.439 3.055 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)[C@H](CCO)c2ccccc2)c1O ZINC000079465172 454420093 /nfs/dbraw/zinc/42/00/93/454420093.db2.gz RCTCEGLGGUWLRX-GOSISDBHSA-N 0 1 331.387 3.289 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)cn1 ZINC000092740581 454621845 /nfs/dbraw/zinc/62/18/45/454621845.db2.gz PNMAONVKFFAIPQ-CYBMUJFWSA-N 0 1 347.409 3.172 20 10 EGCDMN C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769345 454836080 /nfs/dbraw/zinc/83/60/80/454836080.db2.gz CHNDSGHTKHGIOJ-CYBMUJFWSA-N 0 1 332.831 3.355 20 10 EGCDMN CC(=O)c1cc(F)cc(CN2CCC(O)(c3ccccc3)CC2)c1O ZINC000185477837 455563696 /nfs/dbraw/zinc/56/36/96/455563696.db2.gz FPOWFPUNFIZPNR-UHFFFAOYSA-N 0 1 343.398 3.218 20 10 EGCDMN C[C@@H]([NH2+][C@H]1c2ccccc2C[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000185674234 455593437 /nfs/dbraw/zinc/59/34/37/455593437.db2.gz KNAWFDPDMVQYPT-YKJXYISPSA-N 0 1 348.240 3.464 20 10 EGCDMN Cc1cc(CN[C@@H](C)c2ccc(N(C)C)cc2)nc(N2CCCC2)n1 ZINC000293651122 455794024 /nfs/dbraw/zinc/79/40/24/455794024.db2.gz LGWRVYPMKNVMRZ-INIZCTEOSA-N 0 1 339.487 3.302 20 10 EGCDMN COc1c([O-])c(C[NH+]2CCC(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278274837 455804464 /nfs/dbraw/zinc/80/44/64/455804464.db2.gz SFCWIPQRJMDUAI-UHFFFAOYSA-N 0 1 334.294 3.083 20 10 EGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1(C)C ZINC000294718477 455825024 /nfs/dbraw/zinc/82/50/24/455825024.db2.gz CIWGXOVCBLICOL-CYBMUJFWSA-N 0 1 328.796 3.201 20 10 EGCDMN COc1c([O-])c(C[NH2+][C@@H](C)c2cccc(F)c2F)ccc1[N+](=O)[O-] ZINC000278507186 455837542 /nfs/dbraw/zinc/83/75/42/455837542.db2.gz OZNQQHOAHMIOGB-VIFPVBQESA-N 0 1 338.310 3.438 20 10 EGCDMN C=Cn1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000278902580 455852558 /nfs/dbraw/zinc/85/25/58/455852558.db2.gz RJOHRVKCPVCQEM-GASCZTMLSA-N 0 1 344.434 3.026 20 10 EGCDMN 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COC(=O)CC[N@@H+](Cc1c([O-])ccc2ccccc21)C1CCOCC1 ZINC000173533152 1294465372 /nfs/dbraw/zinc/46/53/72/1294465372.db2.gz QZUHZBIPEPUIQI-UHFFFAOYSA-N 0 1 343.423 3.090 20 10 EGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000174565454 1294507970 /nfs/dbraw/zinc/50/79/70/1294507970.db2.gz HGXLGKRTJGEZRP-NSHDSACASA-N 0 1 343.818 3.357 20 10 EGCDMN CCOc1ccc(O)c(CN2CCO[C@H](Cc3ccccc3)C2)c1 ZINC000181922343 1295006589 /nfs/dbraw/zinc/00/65/89/1295006589.db2.gz SASDZUSQZWHBJF-LJQANCHMSA-N 0 1 327.424 3.234 20 10 EGCDMN C[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000185361396 1295259083 /nfs/dbraw/zinc/25/90/83/1295259083.db2.gz QXRXOBMQKRQEAK-OAHLLOKOSA-N 0 1 328.456 3.307 20 10 EGCDMN CCOC(=O)C[C@](C)([NH2+]Cc1cc(F)cc(C(C)=O)c1[O-])C(C)C ZINC000186720125 1295345216 /nfs/dbraw/zinc/34/52/16/1295345216.db2.gz FHQULEQPMAUDFP-SFHVURJKSA-N 0 1 339.407 3.191 20 10 EGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OC(C)(C)C2 ZINC000195504833 1296074991 /nfs/dbraw/zinc/07/49/91/1296074991.db2.gz UDALZXMMQZEGQU-UHFFFAOYSA-N 0 1 333.409 3.215 20 10 EGCDMN C[C@H](CN1CCCCC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227437070 1296143812 /nfs/dbraw/zinc/14/38/12/1296143812.db2.gz PYWJEUYOZREYRW-GFCCVEGCSA-N 0 1 327.266 3.119 20 10 EGCDMN CC[C@@H]([NH2+]CCN1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000392322244 1297655799 /nfs/dbraw/zinc/65/57/99/1297655799.db2.gz VVLJYGSXNMDKFY-OAHLLOKOSA-N 0 1 339.277 3.457 20 10 EGCDMN Cc1cccc(O)c1CNCc1nnc2ccc(C(F)(F)F)cn21 ZINC000877143150 1299180648 /nfs/dbraw/zinc/18/06/48/1299180648.db2.gz FYGVBBAKXLKLDX-UHFFFAOYSA-N 0 1 336.317 3.052 20 10 EGCDMN COCC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccco1 ZINC000877183720 1299197649 /nfs/dbraw/zinc/19/76/49/1299197649.db2.gz HLIKNTAOVCGLKM-LJQANCHMSA-N 0 1 344.455 3.108 20 10 EGCDMN C[C@H](NCc1n[nH]cc1Br)c1cc(F)cc(F)c1O ZINC000756585742 1300527227 /nfs/dbraw/zinc/52/72/27/1300527227.db2.gz MHJSEXDUVCGFCG-LURJTMIESA-N 0 1 332.148 3.007 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000756648795 1300539680 /nfs/dbraw/zinc/53/96/80/1300539680.db2.gz YTZBPUSPIMMFJI-ZIBATOQPSA-N 0 1 339.277 3.288 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(Cl)ccc1[O-] ZINC000756656102 1300542130 /nfs/dbraw/zinc/54/21/30/1300542130.db2.gz UHYHHCIWKYVKFQ-DOMZBBRYSA-N 0 1 336.863 3.487 20 10 EGCDMN CN(Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O)[C@H]1CCNC1=O ZINC000758409007 1300875299 /nfs/dbraw/zinc/87/52/99/1300875299.db2.gz PXURRCQNBDALRS-INIZCTEOSA-N 0 1 332.488 3.308 20 10 EGCDMN CCCN(Cc1ccccc1O)C(=O)Nc1cc(CN(C)C)ccn1 ZINC000880598629 1301177215 /nfs/dbraw/zinc/17/72/15/1301177215.db2.gz UXCGOGZOKNREMO-UHFFFAOYSA-N 0 1 342.443 3.293 20 10 EGCDMN CCOC(=O)CC[N@@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CC1 ZINC000761195223 1301418580 /nfs/dbraw/zinc/41/85/80/1301418580.db2.gz KGBIZWHFBLADIO-UHFFFAOYSA-N 0 1 341.835 3.219 20 10 EGCDMN CCOC(=O)CC[N@H+](Cc1cc(Cl)cc(OC)c1[O-])CC1CC1 ZINC000761195223 1301418583 /nfs/dbraw/zinc/41/85/83/1301418583.db2.gz KGBIZWHFBLADIO-UHFFFAOYSA-N 0 1 341.835 3.219 20 10 EGCDMN COc1ccc(F)cc1S(=O)(=O)Nc1ccc(O)c(C(C)C)c1 ZINC000882800061 1302110488 /nfs/dbraw/zinc/11/04/88/1302110488.db2.gz ZMZLLHGVFBGTJO-UHFFFAOYSA-N 0 1 339.388 3.464 20 10 EGCDMN CCc1nc([C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1 ZINC000765234347 1302225406 /nfs/dbraw/zinc/22/54/06/1302225406.db2.gz DQGYUVKSXIRJQE-LBPRGKRZSA-N 0 1 343.456 3.327 20 10 EGCDMN COc1cccc(O)c1CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000768184416 1302847597 /nfs/dbraw/zinc/84/75/97/1302847597.db2.gz HESJJFWNXSOWJN-UHFFFAOYSA-N 0 1 346.858 3.372 20 10 EGCDMN c1ccc([C@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)cc1 ZINC000768236634 1302864026 /nfs/dbraw/zinc/86/40/26/1302864026.db2.gz IACVZJAVEPVGRD-OAQYLSRUSA-N 0 1 338.451 3.097 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000768248966 1302866418 /nfs/dbraw/zinc/86/64/18/1302866418.db2.gz MQFDFKMRUGKBMJ-GFCCVEGCSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000768248966 1302866431 /nfs/dbraw/zinc/86/64/31/1302866431.db2.gz MQFDFKMRUGKBMJ-GFCCVEGCSA-N 0 1 340.851 3.487 20 10 EGCDMN CCC[C@@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000769914153 1303191811 /nfs/dbraw/zinc/19/18/11/1303191811.db2.gz VGMFRARFCKJSTJ-KRWDZBQOSA-N 0 1 325.836 3.375 20 10 EGCDMN CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000769914153 1303191816 /nfs/dbraw/zinc/19/18/16/1303191816.db2.gz VGMFRARFCKJSTJ-KRWDZBQOSA-N 0 1 325.836 3.375 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773694023 1303725504 /nfs/dbraw/zinc/72/55/04/1303725504.db2.gz JHOLVUXXZFSMGG-GJZGRUSLSA-N 0 1 335.419 3.373 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)c1[O-] ZINC000773694023 1303725512 /nfs/dbraw/zinc/72/55/12/1303725512.db2.gz JHOLVUXXZFSMGG-GJZGRUSLSA-N 0 1 335.419 3.373 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000774881270 1303871196 /nfs/dbraw/zinc/87/11/96/1303871196.db2.gz QXUIKXQQJRWOIF-LBPRGKRZSA-N 0 1 346.358 3.438 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](c3ccccc3F)C2)ccc1[N+](=O)[O-] ZINC000774881270 1303871199 /nfs/dbraw/zinc/87/11/99/1303871199.db2.gz QXUIKXQQJRWOIF-LBPRGKRZSA-N 0 1 346.358 3.438 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CCCc3sccc3C2)ccc1[N+](=O)[O-] ZINC000774881850 1303871941 /nfs/dbraw/zinc/87/19/41/1303871941.db2.gz XXXSBCVAMBSNSG-UHFFFAOYSA-N 0 1 334.397 3.319 20 10 EGCDMN C[C@H](NCc1cccc(Cl)n1)c1ccc(N2CCOCC2)cc1 ZINC000775254982 1303930969 /nfs/dbraw/zinc/93/09/69/1303930969.db2.gz MMESSEQVKOIFRV-AWEZNQCLSA-N 0 1 331.847 3.422 20 10 EGCDMN CC[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Cl)ccc1[O-] ZINC000775489141 1303971642 /nfs/dbraw/zinc/97/16/42/1303971642.db2.gz NLSGBBJEQSZKFU-CVEARBPZSA-N 0 1 349.862 3.353 20 10 EGCDMN CC[C@@H]([NH2+][C@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000775523860 1303978492 /nfs/dbraw/zinc/97/84/92/1303978492.db2.gz OGJRKNVFKKANIA-GXTWGEPZSA-N 0 1 328.250 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20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466613 1378069013 /nfs/dbraw/zinc/06/90/13/1378069013.db2.gz IASLPYXCQXYSGC-GFCCVEGCSA-N 0 1 340.851 3.392 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466613 1378069014 /nfs/dbraw/zinc/06/90/14/1378069014.db2.gz IASLPYXCQXYSGC-GFCCVEGCSA-N 0 1 340.851 3.392 20 10 EGCDMN COC(=O)[C@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1c1ccccc1 ZINC001140468767 1378069118 /nfs/dbraw/zinc/06/91/18/1378069118.db2.gz XDNYFNUICVGCEJ-IRXDYDNUSA-N 0 1 345.826 3.434 20 10 EGCDMN COC(=O)[C@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@H]1c1ccccc1 ZINC001140468767 1378069119 /nfs/dbraw/zinc/06/91/19/1378069119.db2.gz XDNYFNUICVGCEJ-IRXDYDNUSA-N 0 1 345.826 3.434 20 10 EGCDMN C[N@@H+](Cc1c([O-])cc(F)cc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001140583644 1378090327 /nfs/dbraw/zinc/09/03/27/1378090327.db2.gz POHLHTVJDLAIBJ-LBPRGKRZSA-N 0 1 342.386 3.112 20 10 EGCDMN Cc1ccc(O)c(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 ZINC001140620994 1378099632 /nfs/dbraw/zinc/09/96/32/1378099632.db2.gz KSJJXPULDZOUCP-UHFFFAOYSA-N 0 1 325.412 3.050 20 10 EGCDMN CCCCN1CC[C@@]2(CCC[N@H+]2Cc2cc(F)c(F)cc2[O-])C1=O ZINC001273374714 1378100825 /nfs/dbraw/zinc/10/08/25/1378100825.db2.gz QHFMNEVYXYIVMF-SFHVURJKSA-N 0 1 338.398 3.037 20 10 EGCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC[C@@H](C(F)F)C1 ZINC001140663630 1378109163 /nfs/dbraw/zinc/10/91/63/1378109163.db2.gz MKLQXTBSMUZZIY-CQSZACIVSA-N 0 1 328.378 3.139 20 10 EGCDMN Fc1cc(N2CCOCC2)ccc1CN1CC[C@H](C(F)(F)F)C1 ZINC001140663738 1378109471 /nfs/dbraw/zinc/10/94/71/1378109471.db2.gz NUPGGUGNGILCPP-ZDUSSCGKSA-N 0 1 332.341 3.047 20 10 EGCDMN CN(C)c1ccc(CN2CCC3(C[C@@H](F)CO3)CC2)c(Cl)c1 ZINC001140924670 1378181851 /nfs/dbraw/zinc/18/18/51/1378181851.db2.gz LMXJSOFLENBPNP-CQSZACIVSA-N 0 1 326.843 3.499 20 10 EGCDMN CN1CCOc2cc(CN3CC[C@@H]3COCc3ccccc3)ccc21 ZINC001141143003 1378249067 /nfs/dbraw/zinc/24/90/67/1378249067.db2.gz JMLMRSILDOZTNJ-LJQANCHMSA-N 0 1 338.451 3.306 20 10 EGCDMN O=C(c1ccc(F)cc1F)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159257 1378254888 /nfs/dbraw/zinc/25/48/88/1378254888.db2.gz DSUARLPVQRRDQL-UHFFFAOYSA-N 0 1 347.361 3.471 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])CCC[C@]1(O)C(F)(F)F ZINC001142509183 1378451207 /nfs/dbraw/zinc/45/12/07/1378451207.db2.gz ZTHYWQUIHGKAFZ-LKFCYVNXSA-N 0 1 339.304 3.196 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2)C1 ZINC001142524996 1378453623 /nfs/dbraw/zinc/45/36/23/1378453623.db2.gz SJJSFYREOMUXHY-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001142524996 1378453626 /nfs/dbraw/zinc/45/36/26/1378453626.db2.gz SJJSFYREOMUXHY-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN Oc1cc(F)c(Br)cc1CN1CCn2cccc2C1 ZINC001144299551 1378712873 /nfs/dbraw/zinc/71/28/73/1378712873.db2.gz ADXIKXDEDWHMFO-UHFFFAOYSA-N 0 1 325.181 3.111 20 10 EGCDMN CC[N@H+]1CCN(Cc2cc(Br)c(F)cc2[O-])C(C)(C)C1 ZINC001144308598 1378715127 /nfs/dbraw/zinc/71/51/27/1378715127.db2.gz QLUFSTMTRQTDFG-UHFFFAOYSA-N 0 1 345.256 3.210 20 10 EGCDMN CC(C)[N@@H+](C)[C@H]1CCN(Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144308209 1378715318 /nfs/dbraw/zinc/71/53/18/1378715318.db2.gz SMTRHZJNWUHMEN-LBPRGKRZSA-N 0 1 345.256 3.208 20 10 EGCDMN CCOC(=O)c1[nH]ccc1CN(CC)Cc1ccc(N(C)C)cc1 ZINC001144337587 1378717473 /nfs/dbraw/zinc/71/74/73/1378717473.db2.gz IJGKJOZXYNJKST-UHFFFAOYSA-N 0 1 329.444 3.280 20 10 EGCDMN CN1CCN(c2ccc(CN[C@H](F)c3ccnc(Cl)c3)cc2)CC1 ZINC001156655811 1380605204 /nfs/dbraw/zinc/60/52/04/1380605204.db2.gz LLBXGDIVMGIWQO-SFHVURJKSA-N 0 1 348.853 3.245 20 10 EGCDMN COc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)c(Cl)c1 ZINC001156657630 1380605945 /nfs/dbraw/zinc/60/59/45/1380605945.db2.gz OLGHFFNTEZFKMN-UHFFFAOYSA-N 0 1 346.862 3.108 20 10 EGCDMN CN1CCN(c2ccc(CNc3ccc(C(F)F)cn3)cc2)CC1 ZINC001167434672 1383632528 /nfs/dbraw/zinc/63/25/28/1383632528.db2.gz RGSJZFNSUBSNIU-UHFFFAOYSA-N 0 1 332.398 3.383 20 10 EGCDMN CN1CCN(c2ccc(CNc3cccc(C4COC4)c3)cc2)CC1 ZINC001167434734 1383632877 /nfs/dbraw/zinc/63/28/77/1383632877.db2.gz UWFHTQXVKIUENL-UHFFFAOYSA-N 0 1 337.467 3.164 20 10 EGCDMN Fc1cccc(N2CCN(Cc3ccc(N4CCCC4)cc3)CC2)n1 ZINC001344074755 1390753950 /nfs/dbraw/zinc/75/39/50/1390753950.db2.gz JLMRKMROYIHDIH-UHFFFAOYSA-N 0 1 340.446 3.143 20 10 EGCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001347392519 1391067373 /nfs/dbraw/zinc/06/73/73/1391067373.db2.gz SYDXUCAIWZTDTG-JTQLQIEISA-N 0 1 344.249 3.365 20 10 EGCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c1O ZINC000817881480 969185171 /nfs/dbraw/zinc/18/51/71/969185171.db2.gz UTQYVKPEKOEVAK-GHMZBOCLSA-N 0 1 342.233 3.148 20 10 EGCDMN C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000843041336 969234504 /nfs/dbraw/zinc/23/45/04/969234504.db2.gz QNIXDTGJDSPRME-SMDDNHRTSA-N 0 1 344.377 3.314 20 10 EGCDMN CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](CC(C)C)C(=O)[O-] ZINC000863529153 979673379 /nfs/dbraw/zinc/67/33/79/979673379.db2.gz HGOHFDQSHXHYFQ-ZDUSSCGKSA-N 0 1 344.249 3.476 20 10 EGCDMN CCN(CC)c1ccc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cn2)cc1 ZINC001596289038 983708952 /nfs/dbraw/zinc/70/89/52/983708952.db2.gz BVHSQUAPJRZSSI-UHFFFAOYSA-N 0 1 327.428 3.258 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2C)cc1 ZINC001599583948 993587807 /nfs/dbraw/zinc/58/78/07/993587807.db2.gz KCENACCSSOAKBA-IBGZPJMESA-N 0 1 342.439 3.198 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2cc(C(=O)[O-])sc2C)cc1 ZINC001599584222 993591045 /nfs/dbraw/zinc/59/10/45/993591045.db2.gz OJHGPQZJHSMOHP-UHFFFAOYSA-N 0 1 348.468 3.332 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+][C@@H](CO)Cc1c[nH]c2ccccc12 ZINC000116350467 1126076385 /nfs/dbraw/zinc/07/63/85/1126076385.db2.gz WZXBFAMBNHTVSY-CYBMUJFWSA-N 0 1 330.815 3.220 20 10 EGCDMN COc1ccc(C[C@](C)(CO)[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000873191930 1126119934 /nfs/dbraw/zinc/11/99/34/1126119934.db2.gz UVLOWARDSJUBCW-GOSISDBHSA-N 0 1 335.831 3.138 20 10 EGCDMN O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1cc(F)c(F)cc1O ZINC001601658063 1126223535 /nfs/dbraw/zinc/22/35/35/1126223535.db2.gz SQUGZAWHTGREMT-HNNXBMFYSA-N 0 1 347.317 3.202 20 10 EGCDMN NC(=O)[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1ccccc1 ZINC000071792507 203112732 /nfs/dbraw/zinc/11/27/32/203112732.db2.gz PPHHKRWBTWXSGY-FQEVSTJZSA-N 0 1 332.403 3.375 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1[O-] ZINC000186115603 455696955 /nfs/dbraw/zinc/69/69/55/455696955.db2.gz FQPDLUPMSZAQOU-SKDRFNHKSA-N 0 1 336.233 3.086 20 10 EGCDMN COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)c1O ZINC000291490844 456658819 /nfs/dbraw/zinc/65/88/19/456658819.db2.gz GNKHABRCHWYHEH-BBRMVZONSA-N 0 1 325.836 3.444 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2CCC(CO)CC2)c1[O-] ZINC000089924503 454236081 /nfs/dbraw/zinc/23/60/81/454236081.db2.gz OJOGFXIEOIFFDA-UHFFFAOYSA-N 0 1 325.836 3.231 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121165407 454401658 /nfs/dbraw/zinc/40/16/58/454401658.db2.gz BMYUXOVVZUWXCM-NSHDSACASA-N 0 1 336.233 3.257 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000121165407 454401659 /nfs/dbraw/zinc/40/16/59/454401659.db2.gz BMYUXOVVZUWXCM-NSHDSACASA-N 0 1 336.233 3.257 20 10 EGCDMN CCC[N@@H+](Cc1nc(=O)c2sccc2[n-]1)Cc1ccccc1O ZINC000103479562 454560263 /nfs/dbraw/zinc/56/02/63/454560263.db2.gz XCJVTOUXGZXSPR-UHFFFAOYSA-N 0 1 329.425 3.102 20 10 EGCDMN CC(C)NC(=O)CN(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000176676593 454770751 /nfs/dbraw/zinc/77/07/51/454770751.db2.gz QCOIWGLHPHEMEX-INIZCTEOSA-N 0 1 326.440 3.480 20 10 EGCDMN C[N@@H+](CC(=O)Nc1ccc(N2CCCC2)cc1)Cc1ccccc1O ZINC000109771709 454835251 /nfs/dbraw/zinc/83/52/51/454835251.db2.gz CJEYZPUUJZYHCZ-UHFFFAOYSA-N 0 1 339.439 3.063 20 10 EGCDMN Oc1ccccc1C[N@@H+](CCCCCn1cccn1)C[C@@H]1CCCO1 ZINC000109761977 454835648 /nfs/dbraw/zinc/83/56/48/454835648.db2.gz MWYPPJUAGXWRCH-IBGZPJMESA-N 0 1 343.471 3.440 20 10 EGCDMN C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+](C)Cc1ccccc1O ZINC000109772125 454835933 /nfs/dbraw/zinc/83/59/33/454835933.db2.gz UEZAYZBAKJSCCL-CYBMUJFWSA-N 0 1 332.831 3.182 20 10 EGCDMN Cc1cc(O)c(CN2CCN([C@@H](C)c3nccs3)CC2)cc1C ZINC000184899488 455469005 /nfs/dbraw/zinc/46/90/05/455469005.db2.gz PLOBAOJPMYIEGV-HNNXBMFYSA-N 0 1 331.485 3.344 20 10 EGCDMN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000184978908 455480759 /nfs/dbraw/zinc/48/07/59/455480759.db2.gz AGTLAZJRIXJZNC-LLVKDONJSA-N 0 1 338.249 3.470 20 10 EGCDMN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000185155324 455512263 /nfs/dbraw/zinc/51/22/63/455512263.db2.gz QLMVSMXEAVVKKP-MNOVXSKESA-N 0 1 343.265 3.110 20 10 EGCDMN CC(C)[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000271517923 455668572 /nfs/dbraw/zinc/66/85/72/455668572.db2.gz MRSLNKKZEFOFNW-HIFRSBDPSA-N 0 1 328.250 3.448 20 10 EGCDMN C[C@@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534003 455674847 /nfs/dbraw/zinc/67/48/47/455674847.db2.gz RRZWXBGPGFKJHE-DYVFJYSZSA-N 0 1 344.434 3.114 20 10 EGCDMN C[C@H](N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534005 455674943 /nfs/dbraw/zinc/67/49/43/455674943.db2.gz RRZWXBGPGFKJHE-GUYCJALGSA-N 0 1 344.434 3.114 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1[O-] ZINC000186115550 455697030 /nfs/dbraw/zinc/69/70/30/455697030.db2.gz FQPDLUPMSZAQOU-JOYOIKCWSA-N 0 1 336.233 3.086 20 10 EGCDMN Cc1cccc(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1O ZINC000271834225 455780904 /nfs/dbraw/zinc/78/09/04/455780904.db2.gz PERYGBXMRHRZCZ-RBUKOAKNSA-N 0 1 327.424 3.025 20 10 EGCDMN CC(C)c1nc(CNCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000294870112 455830701 /nfs/dbraw/zinc/83/07/01/455830701.db2.gz UPIYIEOKVPKQOC-UHFFFAOYSA-N 0 1 341.381 3.303 20 10 EGCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)NCc3cc(C)c(C)cc3O)n2)c1 ZINC000278874059 455851278 /nfs/dbraw/zinc/85/12/78/455851278.db2.gz YVTRKPFFSCADJD-CQSZACIVSA-N 0 1 337.427 3.348 20 10 EGCDMN COc1ncccc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000279983956 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/nfs/dbraw/zinc/26/58/80/1376265880.db2.gz DDVFBAXKYOGFRM-INIZCTEOSA-N 0 1 327.380 3.052 20 10 EGCDMN COc1cc(CN2CCSC[C@@H]2c2ccccc2)c(O)cc1O ZINC001231635757 1376286967 /nfs/dbraw/zinc/28/69/67/1376286967.db2.gz KEMHWRSETHZZJI-OAHLLOKOSA-N 0 1 331.437 3.397 20 10 EGCDMN CCn1cc2c(n1)CN(Cc1cccc(Cl)c1O)C[C@H]2COC ZINC001231909533 1376345476 /nfs/dbraw/zinc/34/54/76/1376345476.db2.gz BWUKIPYKSLJBAZ-ZDUSSCGKSA-N 0 1 335.835 3.008 20 10 EGCDMN O=C1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC001231910330 1376347514 /nfs/dbraw/zinc/34/75/14/1376347514.db2.gz LSEVFIRAQDHTPB-INIZCTEOSA-N 0 1 328.799 3.058 20 10 EGCDMN O=C1c2ccccc2[C@@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC001231910330 1376347519 /nfs/dbraw/zinc/34/75/19/1376347519.db2.gz LSEVFIRAQDHTPB-INIZCTEOSA-N 0 1 328.799 3.058 20 10 EGCDMN COc1cc([O-])c(C[NH+]2CCC(c3ncccn3)CC2)cc1Cl ZINC001232269758 1376427815 /nfs/dbraw/zinc/42/78/15/1376427815.db2.gz JVNBXHHETQLHAQ-UHFFFAOYSA-N 0 1 333.819 3.224 20 10 EGCDMN Cc1cc(Br)cc(C[N@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)c1O ZINC001233110405 1376570481 /nfs/dbraw/zinc/57/04/81/1376570481.db2.gz DMLDGHRXAOHVBM-BXUZGUMPSA-N 0 1 338.245 3.264 20 10 EGCDMN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@@H]1C ZINC001233336341 1376621578 /nfs/dbraw/zinc/62/15/78/1376621578.db2.gz INTTXOHAKWALAD-RYUDHWBXSA-N 0 1 327.371 3.082 20 10 EGCDMN CC(C)[C@H]1CN(Cc2cc(F)cc(Br)c2O)CCO1 ZINC001235305696 1376866936 /nfs/dbraw/zinc/86/69/36/1376866936.db2.gz PLAYSHZGVDPKRK-CYBMUJFWSA-N 0 1 332.213 3.151 20 10 EGCDMN CCCC[C@@H]1CN(Cc2cc(C)cc(Br)c2[O-])CC[NH2+]1 ZINC001236140831 1376935951 /nfs/dbraw/zinc/93/59/51/1376935951.db2.gz HNSWXTWXEDXSKG-CQSZACIVSA-N 0 1 341.293 3.427 20 10 EGCDMN Oc1ccc(C(F)(F)F)cc1CN1CC[C@]2(C1)CC(F)(F)CO2 ZINC001237141889 1376976387 /nfs/dbraw/zinc/97/63/87/1376976387.db2.gz DETVOVFHILBJJS-CYBMUJFWSA-N 0 1 337.288 3.411 20 10 EGCDMN Oc1c(Cl)cc(F)cc1CN1CC[C@@](O)(C(F)(F)F)[C@@H](F)C1 ZINC001237804825 1376987684 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1378007673 /nfs/dbraw/zinc/00/76/73/1378007673.db2.gz HWVBOBCDDHCFEM-XHDPSFHLSA-N 0 1 328.250 3.138 20 10 EGCDMN CCOC(=O)N1CCC([N@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC001140341507 1378049523 /nfs/dbraw/zinc/04/95/23/1378049523.db2.gz RXHUQILOSURINF-UHFFFAOYSA-N 0 1 326.824 3.098 20 10 EGCDMN CCOC(=O)N1CCC([N@@H+](C)Cc2c([O-])cccc2Cl)CC1 ZINC001140341507 1378049527 /nfs/dbraw/zinc/04/95/27/1378049527.db2.gz RXHUQILOSURINF-UHFFFAOYSA-N 0 1 326.824 3.098 20 10 EGCDMN COC(=O)[C@@H]1C[N@H+](Cc2c([O-])cccc2Cl)C[C@@H]1c1ccccc1 ZINC001140342693 1378050115 /nfs/dbraw/zinc/05/01/15/1378050115.db2.gz UZXAIGSOVJJMHL-HUUCEWRRSA-N 0 1 345.826 3.434 20 10 EGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H]1c1ccccc1 ZINC001140342693 1378050118 /nfs/dbraw/zinc/05/01/18/1378050118.db2.gz UZXAIGSOVJJMHL-HUUCEWRRSA-N 0 1 345.826 3.434 20 10 EGCDMN O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465613 1378067956 /nfs/dbraw/zinc/06/79/56/1378067956.db2.gz QXWKLZDYMOSZKV-INIZCTEOSA-N 0 1 348.874 3.316 20 10 EGCDMN COc1cccnc1O[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464356 1378068122 /nfs/dbraw/zinc/06/81/22/1378068122.db2.gz MMLUPDXRNXOBSA-HNNXBMFYSA-N 0 1 348.830 3.493 20 10 EGCDMN COc1cccnc1O[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140464356 1378068126 /nfs/dbraw/zinc/06/81/26/1378068126.db2.gz MMLUPDXRNXOBSA-HNNXBMFYSA-N 0 1 348.830 3.493 20 10 EGCDMN O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140465984 1378068408 /nfs/dbraw/zinc/06/84/08/1378068408.db2.gz XSNYZRUFVHFBBH-SFHVURJKSA-N 0 1 328.799 3.141 20 10 EGCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140465984 1378068412 /nfs/dbraw/zinc/06/84/12/1378068412.db2.gz XSNYZRUFVHFBBH-SFHVURJKSA-N 0 1 328.799 3.141 20 10 EGCDMN Cc1ccnc(O[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140468394 1378069062 /nfs/dbraw/zinc/06/90/62/1378069062.db2.gz JBVKFJDPJVLBKE-HNNXBMFYSA-N 0 1 333.819 3.187 20 10 EGCDMN Cc1ccnc(O[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140468394 1378069063 /nfs/dbraw/zinc/06/90/63/1378069063.db2.gz JBVKFJDPJVLBKE-HNNXBMFYSA-N 0 1 333.819 3.187 20 10 EGCDMN COC(=O)[C@@H]1C[N@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140468766 1378069086 /nfs/dbraw/zinc/06/90/86/1378069086.db2.gz XDNYFNUICVGCEJ-IAGOWNOFSA-N 0 1 345.826 3.434 20 10 EGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2[O-])C[C@@H]1c1ccccc1 ZINC001140468766 1378069087 /nfs/dbraw/zinc/06/90/87/1378069087.db2.gz XDNYFNUICVGCEJ-IAGOWNOFSA-N 0 1 345.826 3.434 20 10 EGCDMN CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583075 1378088804 /nfs/dbraw/zinc/08/88/04/1378088804.db2.gz VSGRHIXSRPQOER-LLVKDONJSA-N 0 1 329.343 3.196 20 10 EGCDMN CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583075 1378088808 /nfs/dbraw/zinc/08/88/08/1378088808.db2.gz VSGRHIXSRPQOER-LLVKDONJSA-N 0 1 329.343 3.196 20 10 EGCDMN Oc1cc(F)cc(F)c1CN1Cc2cnn(-c3ccccc3)c2C1 ZINC001140584245 1378090190 /nfs/dbraw/zinc/09/01/90/1378090190.db2.gz KEJGDPRIWNGZEQ-UHFFFAOYSA-N 0 1 327.334 3.372 20 10 EGCDMN CC(C)(C)OC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584042 1378090352 /nfs/dbraw/zinc/09/03/52/1378090352.db2.gz DQGBRBVAKUVWHZ-GFCCVEGCSA-N 0 1 327.371 3.367 20 10 EGCDMN CC(C)=CCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001273303304 1378096080 /nfs/dbraw/zinc/09/60/80/1378096080.db2.gz LCQMNMGPGJBZOJ-HXUWFJFHSA-N 0 1 346.446 3.455 20 10 EGCDMN Cc1c(O)ccc(CN2CCC[C@H]2C(=O)Nc2ccccc2)c1O ZINC001140749960 1378129286 /nfs/dbraw/zinc/12/92/86/1378129286.db2.gz PNGHYOGFCWXGJH-INIZCTEOSA-N 0 1 326.396 3.009 20 10 EGCDMN Cc1ccc(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c(O)c1 ZINC001140948005 1378188188 /nfs/dbraw/zinc/18/81/88/1378188188.db2.gz PALUGSMORFKULD-HOTGVXAUSA-N 0 1 332.444 3.284 20 10 EGCDMN C[C@@H]1C(=O)CCN(Cc2ccc3c(c2)OCCN3C)C12CCCC2 ZINC001141146476 1378248848 /nfs/dbraw/zinc/24/88/48/1378248848.db2.gz WOKMSUNDBRTSKA-OAHLLOKOSA-N 0 1 328.456 3.239 20 10 EGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001141367452 1378311328 /nfs/dbraw/zinc/31/13/28/1378311328.db2.gz ANHYESSTMYHJNE-LLVKDONJSA-N 0 1 334.641 3.155 20 10 EGCDMN CC[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142527537 1378454244 /nfs/dbraw/zinc/45/42/44/1378454244.db2.gz YHOGDAHEQAYCJZ-UHFFFAOYSA-N 0 1 330.375 3.017 20 10 EGCDMN Oc1cc2c(cc1O)CN(Cc1[nH]nc3ccc(F)cc31)CCC2 ZINC001144202543 1378698092 /nfs/dbraw/zinc/69/80/92/1378698092.db2.gz UJWUZPUKQBNXNN-UHFFFAOYSA-N 0 1 327.359 3.062 20 10 EGCDMN C[N@@H+](CCc1ccccn1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298489 1378711809 /nfs/dbraw/zinc/71/18/09/1378711809.db2.gz DQDPKLARODZMPG-UHFFFAOYSA-N 0 1 339.208 3.363 20 10 EGCDMN Cc1ccc(Cl)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156651536 1380604111 /nfs/dbraw/zinc/60/41/11/1380604111.db2.gz NPIZZHAHSLWCSJ-UHFFFAOYSA-N 0 1 330.863 3.407 20 10 EGCDMN Cc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)c1[N+](=O)[O-] ZINC001167431290 1383632728 /nfs/dbraw/zinc/63/27/28/1383632728.db2.gz QEYCSFASHDPWSI-UHFFFAOYSA-N 0 1 340.427 3.267 20 10 EGCDMN Cc1cc(N(C)C)nc(NCc2cc(Cl)c3cccnc3c2O)n1 ZINC001168521488 1383928916 /nfs/dbraw/zinc/92/89/16/1383928916.db2.gz DEFRWQLKBZKGFS-UHFFFAOYSA-N 0 1 343.818 3.370 20 10 EGCDMN C[C@H](Cc1c(F)cccc1Cl)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172852809 1384865466 /nfs/dbraw/zinc/86/54/66/1384865466.db2.gz UXPQCCUFCFWTCC-SNVBAGLBSA-N 0 1 337.778 3.294 20 10 EGCDMN OC[C@]1(NCc2ccc(N3CCCC3)cc2)CCOc2ccccc21 ZINC001321350205 1386882623 /nfs/dbraw/zinc/88/26/23/1386882623.db2.gz NWZMCXIODGYUPI-OAQYLSRUSA-N 0 1 338.451 3.047 20 10 EGCDMN Oc1ccc(F)cc1CNCc1cccc(OCC(F)(F)F)n1 ZINC001321358087 1386885429 /nfs/dbraw/zinc/88/54/29/1386885429.db2.gz OCQGYVNAZGQWQW-UHFFFAOYSA-N 0 1 330.281 3.157 20 10 EGCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2F)CC1 ZINC001322770718 1387236182 /nfs/dbraw/zinc/23/61/82/1387236182.db2.gz XEHLCHXCCRYGJP-UHFFFAOYSA-N 0 1 339.458 3.136 20 10 EGCDMN COc1cc(C)cc(CN(Cc2ccco2)C[C@@H]2CCCO2)c1O ZINC001332689985 1390154025 /nfs/dbraw/zinc/15/40/25/1390154025.db2.gz 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Cc1noc(CCC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])n1 ZINC000273538295 456237680 /nfs/dbraw/zinc/23/76/80/456237680.db2.gz XTAWJXNSSRECAU-VIFPVBQESA-N 0 1 340.221 3.130 20 10 EGCDMN CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cc(Br)ccc1O ZINC000274927758 456267571 /nfs/dbraw/zinc/26/75/71/456267571.db2.gz QELQYJHUTAITHW-CQSZACIVSA-N 0 1 338.249 3.401 20 10 EGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2cc(Br)ccc2[O-])cc1 ZINC000237789796 455219165 /nfs/dbraw/zinc/21/91/65/455219165.db2.gz GRFQGUHSRUZAMO-MRXNPFEDSA-N 0 1 336.229 3.286 20 10 EGCDMN COc1ccc(O)c(CN2CCC(O)(c3c(F)cccc3F)CC2)c1 ZINC000190023589 455273482 /nfs/dbraw/zinc/27/34/82/455273482.db2.gz QRHCMZFMPQURLM-UHFFFAOYSA-N 0 1 349.377 3.163 20 10 EGCDMN OCCN(Cc1ccc(N2CCCCC2)cc1)Cc1cccnc1 ZINC000093085701 454680763 /nfs/dbraw/zinc/68/07/63/454680763.db2.gz FKAIVCJDYZVPQP-UHFFFAOYSA-N 0 1 325.456 3.066 20 10 EGCDMN Cc1cc2ncc([C@H](C)NCc3ccc(N(C)C)c(F)c3)c(C)n2n1 ZINC000093403376 454712834 /nfs/dbraw/zinc/71/28/34/454712834.db2.gz QGZWXLHWUYIHHN-ZDUSSCGKSA-N 0 1 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OC1CCN(c2ccc(CN[C@@H]3COCc4ccccc43)cc2)CC1 ZINC000877592501 1299419714 /nfs/dbraw/zinc/41/97/14/1299419714.db2.gz HWPVIVSSIWPGJO-OAQYLSRUSA-N 0 1 338.451 3.009 20 10 EGCDMN Cc1cc(C(=O)CN2CCc3cn[nH]c3C2)c(C)n1-c1ccc(C)cc1 ZINC000750721964 1299443735 /nfs/dbraw/zinc/44/37/35/1299443735.db2.gz ZYGUUAAZSHMQIG-UHFFFAOYSA-N 0 1 348.450 3.367 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645189 1299450581 /nfs/dbraw/zinc/45/05/81/1299450581.db2.gz CYELJBXZSPNJLS-OAHLLOKOSA-N 0 1 336.794 3.371 20 10 EGCDMN [O-]c1cc(F)c(Cl)cc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000877645138 1299451402 /nfs/dbraw/zinc/45/14/02/1299451402.db2.gz BMPFNEBPHYWCIF-CQSZACIVSA-N 0 1 336.794 3.371 20 10 EGCDMN CCC[N@@H+](CCC(=O)NCc1cnc(C)s1)Cc1ccccc1O ZINC000878152713 1299780249 /nfs/dbraw/zinc/78/02/49/1299780249.db2.gz XSUVLRAMILUJRD-UHFFFAOYSA-N 0 1 347.484 3.076 20 10 EGCDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756503746 1300509811 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EGCDMN C[N@@H+](CCCCCO)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894592615 1308969369 /nfs/dbraw/zinc/96/93/69/1308969369.db2.gz LWDPCIISGIVWSZ-UHFFFAOYSA-N 0 1 336.657 3.403 20 10 EGCDMN COC(=O)[C@H](NCc1c(O)ccc(Cl)c1F)c1cccs1 ZINC000792181143 1309137436 /nfs/dbraw/zinc/13/74/36/1309137436.db2.gz WMHOTUTVHNCVNO-CYBMUJFWSA-N 0 1 329.780 3.250 20 10 EGCDMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000794625548 1309558143 /nfs/dbraw/zinc/55/81/43/1309558143.db2.gz YDXZYKUXUIMDQE-XBXARRHUSA-N 0 1 327.336 3.048 20 10 EGCDMN Fc1cc(CN[C@H]2CCCc3cccnc32)ccc1N1CCOCC1 ZINC000798926855 1310459209 /nfs/dbraw/zinc/45/92/09/1310459209.db2.gz NBLXNHXEXMGXCD-SFHVURJKSA-N 0 1 341.430 3.225 20 10 EGCDMN CN(Cc1cccs1)c1ccc(CN(C)[C@H]2CCN(C)C2=O)cc1 ZINC000823459346 1320180884 /nfs/dbraw/zinc/18/08/84/1320180884.db2.gz RSNBWCYUQOKDKU-SFHVURJKSA-N 0 1 343.496 3.047 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000824596189 1320268428 /nfs/dbraw/zinc/26/84/28/1320268428.db2.gz 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1328680178 /nfs/dbraw/zinc/68/01/78/1328680178.db2.gz JYYGCVDHPWULFX-UHFFFAOYSA-N 0 1 346.425 3.316 20 10 EGCDMN CSc1cccc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000804609914 1317266016 /nfs/dbraw/zinc/26/60/16/1317266016.db2.gz KYYLXZFCFWGTBC-UHFFFAOYSA-N 0 1 328.485 3.167 20 10 EGCDMN CN(c1ccc(CNC(=O)Cc2cnc[nH]2)cc1)C1CCCCC1 ZINC000900405922 1317285474 /nfs/dbraw/zinc/28/54/74/1317285474.db2.gz MGNOIMDNUYIYEQ-UHFFFAOYSA-N 0 1 326.444 3.038 20 10 EGCDMN CO[C@H]1CCC[C@H]1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805256380 1317333871 /nfs/dbraw/zinc/33/38/71/1317333871.db2.gz FYQPNEZZBSQXGU-ZANVPECISA-N 0 1 347.242 3.313 20 10 EGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Br)c1cccs1 ZINC000858142770 1328694794 /nfs/dbraw/zinc/69/47/94/1328694794.db2.gz LVXLFZZZSCBEQB-CQSZACIVSA-N 0 1 342.258 3.214 20 10 EGCDMN C[C@H]1CSC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805790265 1317425238 /nfs/dbraw/zinc/42/52/38/1317425238.db2.gz VNZJVTLEXIMQGA-CPCISQLKSA-N 0 1 335.256 3.250 20 10 EGCDMN CCc1ncc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806361094 1317483133 /nfs/dbraw/zinc/48/31/33/1317483133.db2.gz HOVZOLQDQIXJFK-UHFFFAOYSA-N 0 1 341.198 3.373 20 10 EGCDMN CC(C)(CCCO)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807068300 1317548267 /nfs/dbraw/zinc/54/82/67/1317548267.db2.gz HQYNIDJAFIGSDX-UHFFFAOYSA-N 0 1 349.258 3.297 20 10 EGCDMN COCc1nc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807839097 1317590522 /nfs/dbraw/zinc/59/05/22/1317590522.db2.gz HUTBMQPDEZXKME-UHFFFAOYSA-N 0 1 347.223 3.232 20 10 EGCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc(Cl)c1F ZINC000809690681 1317865352 /nfs/dbraw/zinc/86/53/52/1317865352.db2.gz CALFDBPLURKCJA-NSHDSACASA-N 0 1 344.814 3.285 20 10 EGCDMN CCCC[N@@H+](CCCO)Cc1cc(C)cc(Br)c1[O-] ZINC000809751795 1317890553 /nfs/dbraw/zinc/89/05/53/1317890553.db2.gz JZKSKEDJEDILPX-UHFFFAOYSA-N 0 1 330.266 3.448 20 10 EGCDMN CC[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215571 1317978036 /nfs/dbraw/zinc/97/80/36/1317978036.db2.gz 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[O-]c1c(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816592628 1319190499 /nfs/dbraw/zinc/19/04/99/1319190499.db2.gz PEMMMAAZGISGCT-LJQANCHMSA-N 0 1 337.423 3.214 20 10 EGCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816607989 1319191040 /nfs/dbraw/zinc/19/10/40/1319191040.db2.gz LUKJNIMVKOLFGC-LBPRGKRZSA-N 0 1 344.814 3.285 20 10 EGCDMN CC(C)N(CC(=O)N1CCC(C)CC1)Cc1ccc(N(C)C)cc1 ZINC000917074842 1319750180 /nfs/dbraw/zinc/75/01/80/1319750180.db2.gz HRSMJSINCAEKIC-UHFFFAOYSA-N 0 1 331.504 3.222 20 10 EGCDMN C[C@@H]1CN(Cc2cc(Br)ccc2O)CC[N@H+](C2CC2)C1 ZINC000824445659 1320258847 /nfs/dbraw/zinc/25/88/47/1320258847.db2.gz JOQVNPKIKGXACV-GFCCVEGCSA-N 0 1 339.277 3.071 20 10 EGCDMN CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@@H]1C ZINC000824815042 1320287908 /nfs/dbraw/zinc/28/79/08/1320287908.db2.gz HUSWRDNZMCDTTH-FZMZJTMJSA-N 0 1 328.250 3.320 20 10 EGCDMN CCO[C@@H]1COC[C@H]1[NH2+][C@H](CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000825196716 1320317482 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1378049925 /nfs/dbraw/zinc/04/99/25/1378049925.db2.gz OMOCNYLQSZTIKN-GFCCVEGCSA-N 0 1 334.803 3.103 20 10 EGCDMN COC(=O)[C@H]1CN(Cc2ccc(Cl)cc2O)Cc2ccccc21 ZINC001140464315 1378066486 /nfs/dbraw/zinc/06/64/86/1378066486.db2.gz KWHMWFPIISISFW-INIZCTEOSA-N 0 1 331.799 3.318 20 10 EGCDMN CC(C)N1CC2(CC1=O)CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140464303 1378067165 /nfs/dbraw/zinc/06/71/65/1378067165.db2.gz KFDQQXIWRSDYDR-UHFFFAOYSA-N 0 1 336.863 3.269 20 10 EGCDMN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001140464814 1378067670 /nfs/dbraw/zinc/06/76/70/1378067670.db2.gz CLRMTZMWEUVFJE-QKDCVEJESA-N 0 1 348.874 3.172 20 10 EGCDMN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3ccc(Cl)cc3[O-])C[C@H]2C1 ZINC001140464814 1378067673 /nfs/dbraw/zinc/06/76/73/1378067673.db2.gz CLRMTZMWEUVFJE-QKDCVEJESA-N 0 1 348.874 3.172 20 10 EGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001140465988 1378067916 /nfs/dbraw/zinc/06/79/16/1378067916.db2.gz XWOQTZKYJFCVCV-AEFFLSMTSA-N 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C[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141367907 1378312117 /nfs/dbraw/zinc/31/21/17/1378312117.db2.gz WPQIZJCVSJDFFO-ZDUSSCGKSA-N 0 1 334.641 3.012 20 10 EGCDMN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374654 1378313068 /nfs/dbraw/zinc/31/30/68/1378313068.db2.gz LVYAUWCJILCRLC-SECBINFHSA-N 0 1 332.625 3.219 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524574 1378453177 /nfs/dbraw/zinc/45/31/77/1378453177.db2.gz BLVOKZQUUYWIIO-GFCCVEGCSA-N 0 1 342.386 3.112 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC001144292507 1378710836 /nfs/dbraw/zinc/71/08/36/1378710836.db2.gz DWDNPMRXCRQMTN-HNNXBMFYSA-N 0 1 344.224 3.296 20 10 EGCDMN Oc1cc(F)c(Br)cc1CN1CCCCC12COC2 ZINC001144299823 1378712706 /nfs/dbraw/zinc/71/27/06/1378712706.db2.gz JMHKYKWEFZROLC-UHFFFAOYSA-N 0 1 330.197 3.049 20 10 EGCDMN Nc1ccc(N(Cc2ccccc2)C(=O)c2cc3c[nH]cnc-3n2)cc1 ZINC001152995295 1380004808 /nfs/dbraw/zinc/00/48/08/1380004808.db2.gz BHQGWMRCLMVJTP-UHFFFAOYSA-N 0 1 343.390 3.339 20 10 EGCDMN COc1nc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC001156658593 1380605920 /nfs/dbraw/zinc/60/59/20/1380605920.db2.gz WRNJZHVLTNNSAC-UHFFFAOYSA-N 0 1 346.862 3.108 20 10 EGCDMN CCc1c(Cl)ncnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156659373 1380605997 /nfs/dbraw/zinc/60/59/97/1380605997.db2.gz KUBFLSYKQSVVLL-UHFFFAOYSA-N 0 1 345.878 3.056 20 10 EGCDMN Cc1cnc(Cl)cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167434317 1383632673 /nfs/dbraw/zinc/63/26/73/1383632673.db2.gz ISWIPIMCDWATGF-UHFFFAOYSA-N 0 1 330.863 3.407 20 10 EGCDMN Oc1ccc(CNc2cnc3cc(Br)ccn23)cc1O ZINC001169995312 1384214015 /nfs/dbraw/zinc/21/40/15/1384214015.db2.gz YNKVQDQPXCATFB-UHFFFAOYSA-N 0 1 334.173 3.120 20 10 EGCDMN COc1ccc(N2CCN([C@H]3Cc4cccc(F)c4C3)CC2)cc1 ZINC001171795538 1384639729 /nfs/dbraw/zinc/63/97/29/1384639729.db2.gz YGKSKRRRQXZKKM-KRWDZBQOSA-N 0 1 326.415 3.124 20 10 EGCDMN C[C@]1(C[NH2+]Cc2c([O-])cccc2Br)CCCC[C@@H]1O ZINC001329141987 1388987081 /nfs/dbraw/zinc/98/70/81/1388987081.db2.gz UBYDZPYQALGMNN-LSDHHAIUSA-N 0 1 328.250 3.186 20 10 EGCDMN C[C@@H]1C[C@@H](CC[NH2+]Cc2c([O-])cccc2Br)CCO1 ZINC001329723753 1389210104 /nfs/dbraw/zinc/21/01/04/1389210104.db2.gz XSHOWCYZIRUWEY-NEPJUHHUSA-N 0 1 328.250 3.450 20 10 EGCDMN COc1ccc(CN[C@@H](c2ncc(C)s2)C2CC2)c(O)c1OC ZINC001351999076 1391742021 /nfs/dbraw/zinc/74/20/21/1391742021.db2.gz DWSYSIKITSAUKW-CQSZACIVSA-N 0 1 334.441 3.415 20 10 EGCDMN CC[N@H+](Cc1cccc(F)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435290 1427724343 /nfs/dbraw/zinc/72/43/43/1427724343.db2.gz SINCQPIROCSAHF-LBPRGKRZSA-N 0 1 341.390 3.295 20 10 EGCDMN CC[N@@H+](Cc1cccc(F)c1O)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825435290 1427724348 /nfs/dbraw/zinc/72/43/48/1427724348.db2.gz SINCQPIROCSAHF-LBPRGKRZSA-N 0 1 341.390 3.295 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001600236828 970781183 /nfs/dbraw/zinc/78/11/83/970781183.db2.gz NJRAKPWHKJBULE-VQTJNVASSA-N 0 1 338.451 3.361 20 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/nfs/dbraw/zinc/33/05/58/979330558.db2.gz KVIBDGSBQFSQPZ-UHFFFAOYSA-N 0 1 346.471 3.133 20 10 EGCDMN CN(C)c1ccc(/C=C\C[N@H+]2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1 ZINC000901976836 980658794 /nfs/dbraw/zinc/65/87/94/980658794.db2.gz WGTCNAUYOCAYMN-KKHYBRAUSA-N 0 1 336.435 3.277 20 10 EGCDMN CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1O ZINC001594979664 982772310 /nfs/dbraw/zinc/77/23/10/982772310.db2.gz XMZSAXQBVROLCY-SNVBAGLBSA-N 0 1 330.222 3.148 20 10 EGCDMN CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cc(C)cc(Br)c1O ZINC001594979664 982772321 /nfs/dbraw/zinc/77/23/21/982772321.db2.gz XMZSAXQBVROLCY-SNVBAGLBSA-N 0 1 330.222 3.148 20 10 EGCDMN CCN(CC)c1ccc(C[NH2+]C(C)(C)c2cc(C(=O)[O-])on2)cc1 ZINC001596288351 983708061 /nfs/dbraw/zinc/70/80/61/983708061.db2.gz NOPRXZLYUDISMB-UHFFFAOYSA-N 0 1 331.416 3.244 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(C(=O)[O-])CCC[C@@H]23)c1O ZINC001589267783 985950211 /nfs/dbraw/zinc/95/02/11/985950211.db2.gz IUGONPIDWBSEHK-PBHICJAKSA-N 0 1 337.803 3.077 20 10 EGCDMN COc1cc(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC001599408325 997372907 /nfs/dbraw/zinc/37/29/07/997372907.db2.gz RYLCYIUVUFSCLY-SWLSCSKDSA-N 0 1 335.444 3.241 20 10 EGCDMN Cc1ccc(C[C@@H]([NH2+]Cc2cc(F)cc(F)c2O)C(=O)[O-])cc1C ZINC000904021392 1126132033 /nfs/dbraw/zinc/13/20/33/1126132033.db2.gz UYQZYYDCCPCWGT-MRXNPFEDSA-N 0 1 335.350 3.073 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1cc(Br)ccc1[O-] ZINC000289233017 456119504 /nfs/dbraw/zinc/11/95/04/456119504.db2.gz DDNLKLJXTKGLMK-RLTXXFFMSA-N 0 1 338.245 3.010 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1cc(Br)ccc1[O-] ZINC000289233017 456119512 /nfs/dbraw/zinc/11/95/12/456119512.db2.gz DDNLKLJXTKGLMK-RLTXXFFMSA-N 0 1 338.245 3.010 20 10 EGCDMN Cc1cccc(CN2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000180704900 455231231 /nfs/dbraw/zinc/23/12/31/455231231.db2.gz CNQWAWCDSVIATL-HOTGVXAUSA-N 0 1 333.453 3.087 20 10 EGCDMN COc1cc(O)c(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccco2)cc1OC ZINC000180717819 455233033 /nfs/dbraw/zinc/23/30/33/455233033.db2.gz WDCGJONPACISRW-HOCLYGCPSA-N 0 1 347.411 3.091 20 10 EGCDMN C[C@@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885630 454348883 /nfs/dbraw/zinc/34/88/83/454348883.db2.gz GDQVXLCXGAXUKN-UZLBHIALSA-N 0 1 342.487 3.185 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1[O-] ZINC000092072068 454515890 /nfs/dbraw/zinc/51/58/90/454515890.db2.gz LMFYWMKIGAKXAQ-JTQLQIEISA-N 0 1 336.779 3.057 20 10 EGCDMN Cc1cccc(NC(=O)N2CCN(Cc3cc(C)ccc3O)CC2)c1 ZINC000092760335 454627873 /nfs/dbraw/zinc/62/78/73/454627873.db2.gz JMGHVGZBZMRCCN-UHFFFAOYSA-N 0 1 339.439 3.359 20 10 EGCDMN CCOc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000093638123 454725774 /nfs/dbraw/zinc/72/57/74/454725774.db2.gz XFEREKAWHOZUKH-NRFANRHFSA-N 0 1 339.435 3.465 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000177262911 454844173 /nfs/dbraw/zinc/84/41/73/454844173.db2.gz DONJPXJYEXNNLT-LBPRGKRZSA-N 0 1 349.818 3.319 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1[O-] ZINC000177262911 454844175 /nfs/dbraw/zinc/84/41/75/454844175.db2.gz DONJPXJYEXNNLT-LBPRGKRZSA-N 0 1 349.818 3.319 20 10 EGCDMN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000184978200 455480791 /nfs/dbraw/zinc/48/07/91/455480791.db2.gz JVIWAYXFXSEGTH-NSHDSACASA-N 0 1 338.249 3.470 20 10 EGCDMN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180015879 455116143 /nfs/dbraw/zinc/11/61/43/455116143.db2.gz HVVISGWNWRQOLQ-INIZCTEOSA-N 0 1 347.365 3.066 20 10 EGCDMN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000180015865 455116222 /nfs/dbraw/zinc/11/62/22/455116222.db2.gz HVVISGWNWRQOLQ-MRXNPFEDSA-N 0 1 347.365 3.066 20 10 EGCDMN C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000184955500 455478473 /nfs/dbraw/zinc/47/84/73/455478473.db2.gz ZODPWQACNAFSQU-GFCCVEGCSA-N 0 1 334.851 3.257 20 10 EGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1[O-])C(=O)NC(C)(C)C ZINC000185218154 455523828 /nfs/dbraw/zinc/52/38/28/455523828.db2.gz SFXWQTGOLXDEGN-NXEZZACHSA-N 0 1 343.265 3.109 20 10 EGCDMN C[C@H]([NH2+]CCCO[C@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000185701677 455601123 /nfs/dbraw/zinc/60/11/23/455601123.db2.gz VMPOZQRXAKNAQP-AAEUAGOBSA-N 0 1 344.249 3.001 20 10 EGCDMN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000271517927 455668591 /nfs/dbraw/zinc/66/85/91/455668591.db2.gz MRSLNKKZEFOFNW-ZFWWWQNUSA-N 0 1 328.250 3.448 20 10 EGCDMN Cc1nnsc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000293632597 455793420 /nfs/dbraw/zinc/79/34/20/455793420.db2.gz KHSXVBUSILTIBA-SSDOTTSWSA-N 0 1 328.235 3.165 20 10 EGCDMN COC(=O)c1coc([C@@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000278839608 455850617 /nfs/dbraw/zinc/85/06/17/455850617.db2.gz USDLQHUYRFMQGI-CYBMUJFWSA-N 0 1 328.412 3.299 20 10 EGCDMN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1ccc(Br)cc1[O-] ZINC000280987202 456102089 /nfs/dbraw/zinc/10/20/89/456102089.db2.gz JKXHMJWWQIEOBE-OVWNDWIMSA-N 0 1 346.290 3.107 20 10 EGCDMN COc1cc(O)c(CN2Cc3ccccc3OC[C@@H]2C)cc1OC ZINC000272889180 456102763 /nfs/dbraw/zinc/10/27/63/456102763.db2.gz JGBYUAWPUPJBBJ-ZDUSSCGKSA-N 0 1 329.396 3.193 20 10 EGCDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1cnn(C)c1 ZINC000281040330 456117344 /nfs/dbraw/zinc/11/73/44/456117344.db2.gz ZHOSYVPSSTVJSB-LLVKDONJSA-N 0 1 326.366 3.356 20 10 EGCDMN C[C@H]([NH2+]CCNc1ccccn1)c1ccc(Br)cc1[O-] ZINC000273575665 456239712 /nfs/dbraw/zinc/23/97/12/456239712.db2.gz LRYXWIINQBJVJB-NSHDSACASA-N 0 1 336.233 3.312 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000305712353 456551342 /nfs/dbraw/zinc/55/13/42/456551342.db2.gz FUFMMGGMXBGJKE-LJQANCHMSA-N 0 1 345.826 3.172 20 10 EGCDMN COc1cc(Cl)cc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)c1O ZINC000291490847 456659115 /nfs/dbraw/zinc/65/91/15/456659115.db2.gz GNKHABRCHWYHEH-CJNGLKHVSA-N 0 1 325.836 3.444 20 10 EGCDMN C[C@@H]1CCN(Cc2cc(-c3ccccc3)ccc2O)CC[S@]1=O ZINC000277447490 456828232 /nfs/dbraw/zinc/82/82/32/456828232.db2.gz JRCMPJISYAKXAX-IQMFZBJNSA-N 0 1 329.465 3.402 20 10 EGCDMN COc1c(O)c(C[N@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755942 457686980 /nfs/dbraw/zinc/68/69/80/457686980.db2.gz CUAQKAKWORQERM-MLGOLLRUSA-N 0 1 343.383 3.287 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C)C[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000364755942 457686984 /nfs/dbraw/zinc/68/69/84/457686984.db2.gz CUAQKAKWORQERM-MLGOLLRUSA-N 0 1 343.383 3.287 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000367892400 457993120 /nfs/dbraw/zinc/99/31/20/457993120.db2.gz QGIHOHKVSIQMRZ-OCCSQVGLSA-N 0 1 345.226 3.066 20 10 EGCDMN Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1C ZINC000738108692 576289365 /nfs/dbraw/zinc/28/93/65/576289365.db2.gz GUXUUADYMAPBSP-OAHLLOKOSA-N 0 1 334.460 3.450 20 10 EGCDMN COC[C@H]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)C1 ZINC000739923736 576520559 /nfs/dbraw/zinc/52/05/59/576520559.db2.gz XEXVQBSORGCMIS-INIZCTEOSA-N 0 1 344.430 3.384 20 10 EGCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NC2CCCC2)cc1 ZINC000741678130 576710428 /nfs/dbraw/zinc/71/04/28/576710428.db2.gz KKANUQWGAHGCPO-MRXNPFEDSA-N 0 1 331.504 3.412 20 10 EGCDMN CCOC[C@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829989795 601401736 /nfs/dbraw/zinc/40/17/36/601401736.db2.gz LZVJGYNLUQHKFD-ZDUSSCGKSA-N 0 1 329.396 3.102 20 10 EGCDMN CC[C@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)ccc1[O-] ZINC000717825592 1298301778 /nfs/dbraw/zinc/30/17/78/1298301778.db2.gz ACQKIKDUFNDGBF-ONGXEEELSA-N 0 1 338.192 3.212 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1CSCCS1 ZINC000691448363 1298134150 /nfs/dbraw/zinc/13/41/50/1298134150.db2.gz XUTICQFMKALQEJ-NSHDSACASA-N 0 1 334.304 3.093 20 10 EGCDMN OC[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000767426955 1302672229 /nfs/dbraw/zinc/67/22/29/1302672229.db2.gz WMCVVHWTBIZELC-INIZCTEOSA-N 0 1 348.240 3.207 20 10 EGCDMN CCN(Cc1ccc(N2CCN(C)CC2)cc1)c1cccc(O)c1 ZINC000827907576 1292399670 /nfs/dbraw/zinc/39/96/70/1292399670.db2.gz CIYIHDZUCXOTOX-UHFFFAOYSA-N 0 1 325.456 3.171 20 10 EGCDMN COc1cc2c(cc1CNCc1ccc3c(c1)CCO3)O[C@H](C)C2 ZINC000078821263 1292528078 /nfs/dbraw/zinc/52/80/78/1292528078.db2.gz WLNHIEMDONLCOQ-CYBMUJFWSA-N 0 1 325.408 3.243 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)c1[O-] ZINC000831656138 1292903119 /nfs/dbraw/zinc/90/31/19/1292903119.db2.gz WQZBXBMZGYZPCH-IAGOWNOFSA-N 0 1 325.424 3.113 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)c1[O-] ZINC000831656142 1292903166 /nfs/dbraw/zinc/90/31/66/1292903166.db2.gz WQZBXBMZGYZPCH-SJORKVTESA-N 0 1 325.424 3.113 20 10 EGCDMN CC(C)(C)C[N@@H+](CCCO)Cc1cccc(Br)c1[O-] ZINC000093146203 1292908855 /nfs/dbraw/zinc/90/88/55/1292908855.db2.gz AZAAMJQMRVOTST-UHFFFAOYSA-N 0 1 330.266 3.385 20 10 EGCDMN CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834535016 1293112881 /nfs/dbraw/zinc/11/28/81/1293112881.db2.gz XJTHCDFHYSXPEP-JKSUJKDBSA-N 0 1 328.460 3.151 20 10 EGCDMN C[C@@H]1C[C@@H](NCc2nc(-c3ccccn3)n[nH]2)c2c1c(F)ccc2O ZINC000834904767 1293171091 /nfs/dbraw/zinc/17/10/91/1293171091.db2.gz PWDLCGABFCPPDV-ZWNOBZJWSA-N 0 1 339.374 3.050 20 10 EGCDMN COc1ccc(CNCc2ccc(N(C)C)cc2C)c(OC)c1OC ZINC000115629400 1293192907 /nfs/dbraw/zinc/19/29/07/1293192907.db2.gz RZEIZBKJAHFODO-UHFFFAOYSA-N 0 1 344.455 3.377 20 10 EGCDMN COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1cccc(Cl)c1[O-] ZINC000835073639 1293200936 /nfs/dbraw/zinc/20/09/36/1293200936.db2.gz DMXOERUOBNNKQJ-UHFFFAOYSA-N 0 1 337.851 3.045 20 10 EGCDMN COCc1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC000125676919 1293514280 /nfs/dbraw/zinc/51/42/80/1293514280.db2.gz MGQUTTHVKQYRAY-UHFFFAOYSA-N 0 1 332.469 3.269 20 10 EGCDMN CN(C)C(=O)c1ccnc(NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000126954929 1293548833 /nfs/dbraw/zinc/54/88/33/1293548833.db2.gz OHGLFSWVXNSKKF-UHFFFAOYSA-N 0 1 340.210 3.408 20 10 EGCDMN CCC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccccc1O ZINC000130735515 1293666980 /nfs/dbraw/zinc/66/69/80/1293666980.db2.gz BWRVHIJTDTULPA-UHFFFAOYSA-N 0 1 330.403 3.060 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000153854684 1294031159 /nfs/dbraw/zinc/03/11/59/1294031159.db2.gz OYCILALLCOJNDP-AWEZNQCLSA-N 0 1 340.851 3.439 20 10 EGCDMN CN(c1ccc(CNC(=O)c2ccc(CN)o2)cc1)C1CCCCC1 ZINC000166470936 1294362672 /nfs/dbraw/zinc/36/26/72/1294362672.db2.gz IUNIXHGVHUUINJ-UHFFFAOYSA-N 0 1 341.455 3.437 20 10 EGCDMN COc1cc(CN2CCO[C@@H](Cc3ccccc3)C2)c(O)cc1C ZINC000182948901 1295086454 /nfs/dbraw/zinc/08/64/54/1295086454.db2.gz OJJITEWEZSESJL-SFHVURJKSA-N 0 1 327.424 3.153 20 10 EGCDMN COc1cccc(CN2CCN(C/C=C\c3ccccc3)CC2)c1O ZINC000197776821 1296082731 /nfs/dbraw/zinc/08/27/31/1296082731.db2.gz FBZCIJLCORZAHV-TWGQIWQCSA-N 0 1 338.451 3.232 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1[O-] ZINC000248039112 1296404393 /nfs/dbraw/zinc/40/43/93/1296404393.db2.gz SFNAUALDAJAHET-GUYCJALGSA-N 0 1 336.863 3.164 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000248039112 1296404397 /nfs/dbraw/zinc/40/43/97/1296404397.db2.gz SFNAUALDAJAHET-GUYCJALGSA-N 0 1 336.863 3.164 20 10 EGCDMN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1c([O-])cccc1Cl ZINC000300217603 1296779628 /nfs/dbraw/zinc/77/96/28/1296779628.db2.gz MFVYXIPXJIERLX-JYAVWHMHSA-N 0 1 338.835 3.001 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2cnn(C3CCCC3)c2)c(C)c(C)c1O ZINC000872364882 1296925785 /nfs/dbraw/zinc/92/57/85/1296925785.db2.gz VURCFRQQNFWSFR-UHFFFAOYSA-N 0 1 349.456 3.430 20 10 EGCDMN CC[C@@H]([NH2+]CCc1cnccn1)c1cc(Br)ccc1[O-] ZINC000390113879 1297621789 /nfs/dbraw/zinc/62/17/89/1297621789.db2.gz VBUPVTJRDIVZQX-CQSZACIVSA-N 0 1 336.233 3.228 20 10 EGCDMN CC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cc(Br)ccc1[O-] ZINC000394098893 1297675261 /nfs/dbraw/zinc/67/52/61/1297675261.db2.gz XZRCAXGHOREOLW-FZMZJTMJSA-N 0 1 330.266 3.460 20 10 EGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000686278607 1298116338 /nfs/dbraw/zinc/11/63/38/1298116338.db2.gz FRWLIEVKUASDGD-NSHDSACASA-N 0 1 340.851 3.391 20 10 EGCDMN Cn1ncc2c1CCC[C@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000706843374 1298223453 /nfs/dbraw/zinc/22/34/53/1298223453.db2.gz UHPQOEHCLUMHLY-CYBMUJFWSA-N 0 1 336.233 3.055 20 10 EGCDMN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1c([O-])cccc1Br ZINC000706843376 1298224274 /nfs/dbraw/zinc/22/42/74/1298224274.db2.gz UHPQOEHCLUMHLY-ZDUSSCGKSA-N 0 1 336.233 3.055 20 10 EGCDMN Cc1cc(CNC(=O)NCc2cn[nH]c2C)c(C)n1-c1ccccc1 ZINC000875096065 1298229582 /nfs/dbraw/zinc/22/95/82/1298229582.db2.gz NKUQYVUQNHXHCC-UHFFFAOYSA-N 0 1 337.427 3.125 20 10 EGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000708216461 1298237468 /nfs/dbraw/zinc/23/74/68/1298237468.db2.gz UOVLRJMOBZKLHM-AWEZNQCLSA-N 0 1 346.652 3.421 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(CO)c2ccccc2)c1[O-] ZINC000750044366 1299328664 /nfs/dbraw/zinc/32/86/64/1299328664.db2.gz GGKUTOPIRLREIB-SFHVURJKSA-N 0 1 333.815 3.246 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCc3ccc(O)cc3CC2)c1[O-] ZINC000750823796 1299459326 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CC[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1ccn(C)n1 ZINC000756465179 1300498767 /nfs/dbraw/zinc/49/87/67/1300498767.db2.gz JIULWHNYQNXQGB-YJBOKZPZSA-N 0 1 328.460 3.059 20 10 EGCDMN C[C@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000756585082 1300526598 /nfs/dbraw/zinc/52/65/98/1300526598.db2.gz XBOAKQLIHFXFGT-WCQYABFASA-N 0 1 344.249 3.001 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000756544677 1300519032 /nfs/dbraw/zinc/51/90/32/1300519032.db2.gz LFIXQKBUGIWZSX-PWSUYJOCSA-N 0 1 325.250 3.042 20 10 EGCDMN C[C@H]([NH2+][C@@H]1COc2cc(F)cc(F)c21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000757657416 1300704765 /nfs/dbraw/zinc/70/47/65/1300704765.db2.gz LVNCNVGJZBAEAZ-ISVAXAHUSA-N 0 1 336.294 3.363 20 10 EGCDMN C[C@@H](c1ccncc1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000757893024 1300753542 /nfs/dbraw/zinc/75/35/42/1300753542.db2.gz WZKLNLQLANJPPX-HNNXBMFYSA-N 0 1 329.419 3.250 20 10 EGCDMN CCOc1ccc(CN2CCN(c3ccccc3F)CC2)c(O)c1 ZINC000768136694 1302831693 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344.842 3.458 20 10 EGCDMN C[C@@H](N[C@@H](C)c1ccccn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000152341133 455104433 /nfs/dbraw/zinc/10/44/33/455104433.db2.gz FYFREXWTQSJQAF-CABCVRRESA-N 0 1 329.419 3.469 20 10 EGCDMN CCN(CC(=O)Nc1c(F)cccc1F)Cc1cccc(C)c1O ZINC000183517801 455302637 /nfs/dbraw/zinc/30/26/37/455302637.db2.gz KETXRQXAWOKMJI-UHFFFAOYSA-N 0 1 334.366 3.439 20 10 EGCDMN Cc1cc(N2CCC([NH2+][C@H](C)c3cc(F)ccc3O)CC2)nc(C)[nH+]1 ZINC000185655309 455590378 /nfs/dbraw/zinc/59/03/78/455590378.db2.gz JIRUIFTWZKMUHU-CYBMUJFWSA-N 0 1 344.434 3.258 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412262 455627911 /nfs/dbraw/zinc/62/79/11/455627911.db2.gz XVTNDVSIUWINDX-GFCCVEGCSA-N 0 1 332.835 3.421 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000271412262 455627918 /nfs/dbraw/zinc/62/79/18/455627918.db2.gz XVTNDVSIUWINDX-GFCCVEGCSA-N 0 1 332.835 3.421 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)c1ccc(Br)cc1[O-] ZINC000186115571 455696946 /nfs/dbraw/zinc/69/69/46/455696946.db2.gz FQPDLUPMSZAQOU-BXKDBHETSA-N 0 1 336.233 3.086 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(F)ccc1[O-] ZINC000186191256 455712506 /nfs/dbraw/zinc/71/25/06/455712506.db2.gz JIKZDVXRFJYTHM-HOCLYGCPSA-N 0 1 342.414 3.231 20 10 EGCDMN CC[C@@H](NCc1cccnc1OCCOC)c1ccc(N(C)C)cc1 ZINC000268787028 455713766 /nfs/dbraw/zinc/71/37/66/455713766.db2.gz SFVOBZFQTYNFCV-LJQANCHMSA-N 0 1 343.471 3.414 20 10 EGCDMN C[C@H](c1ccc(F)cc1)N1CC[C@@H](N(C)Cc2ccccc2O)C1=O ZINC000292767074 455752624 /nfs/dbraw/zinc/75/26/24/455752624.db2.gz JHCQOSRGNVRYDE-RDTXWAMCSA-N 0 1 342.414 3.325 20 10 EGCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168248 455775568 /nfs/dbraw/zinc/77/55/68/455775568.db2.gz CDRKQGHIGDAOOL-KFWWJZLASA-N 0 1 346.450 3.024 20 10 EGCDMN CCOC(=O)[C@H](F)C1CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293909288 455800675 /nfs/dbraw/zinc/80/06/75/455800675.db2.gz LRPOZEXZJJXJSF-LJQANCHMSA-N 0 1 343.398 3.392 20 10 EGCDMN COc1ccncc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000294334630 455811556 /nfs/dbraw/zinc/81/15/56/455811556.db2.gz PEHYAGYZGQZZAN-SNVBAGLBSA-N 0 1 337.217 3.409 20 10 EGCDMN CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583038 455853922 /nfs/dbraw/zinc/85/39/22/455853922.db2.gz SFBZFZXNQVCKIQ-FUHWJXTLSA-N 0 1 332.488 3.301 20 10 EGCDMN CC[C@@H](c1ccc(C)cc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296648800 456000727 /nfs/dbraw/zinc/00/07/27/456000727.db2.gz YRFLYOOAZVKUIH-JZXOWHBKSA-N 0 1 338.451 3.433 20 10 EGCDMN Cc1ccc([C@H](NCc2cc(C)ccc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280677133 456028733 /nfs/dbraw/zinc/02/87/33/456028733.db2.gz MUBXRDSTZKOKHT-HNAYVOBHSA-N 0 1 347.480 3.273 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288669063 456102786 /nfs/dbraw/zinc/10/27/86/456102786.db2.gz WFPSWSPCZCZHRA-GFCCVEGCSA-N 0 1 334.213 3.421 20 10 EGCDMN CCN1CCN(c2ccc(CNc3ncc(Cl)cn3)cc2F)CC1 ZINC000301487681 456128476 /nfs/dbraw/zinc/12/84/76/456128476.db2.gz IPTOPVWFSSHION-UHFFFAOYSA-N 0 1 349.841 3.023 20 10 EGCDMN COc1ccc(CN(C)Cc2cc(OC)c(OC)cc2O)c(OC)c1 ZINC000271113058 456128686 /nfs/dbraw/zinc/12/86/86/456128686.db2.gz VGTWCVNWRNNCHD-UHFFFAOYSA-N 0 1 347.411 3.059 20 10 EGCDMN CCN(CC)c1ccc(CN(CCCO)Cc2ccccn2)cc1 ZINC000289565756 456130961 /nfs/dbraw/zinc/13/09/61/456130961.db2.gz ZCIBNTCDDQAPNO-UHFFFAOYSA-N 0 1 327.472 3.312 20 10 EGCDMN CC(C)(CO)[C@@H]([NH2+]Cc1cc(Br)ccc1[O-])C1CC1 ZINC000290814548 456435736 /nfs/dbraw/zinc/43/57/36/456435736.db2.gz GJMGLAHIYILJEW-AWEZNQCLSA-N 0 1 328.250 3.041 20 10 EGCDMN CCN(CC)c1ccc(CNCc2ccnn2CCCOC)cc1F ZINC000282706389 456598686 /nfs/dbraw/zinc/59/86/86/456598686.db2.gz QNPXKEMQDUCANV-UHFFFAOYSA-N 0 1 348.466 3.195 20 10 EGCDMN C[C@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276869355 456604580 /nfs/dbraw/zinc/60/45/80/456604580.db2.gz DOAMMAWSNHKTCW-JTQLQIEISA-N 0 1 341.379 3.388 20 10 EGCDMN CN(C)c1ccc(CN2CC[C@H](n3cccn3)C2)c(C(F)(F)F)c1 ZINC000291353372 456615779 /nfs/dbraw/zinc/61/57/79/456615779.db2.gz XMWZLWHAJIKXGP-HNNXBMFYSA-N 0 1 338.377 3.415 20 10 EGCDMN COCCn1cc(C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000282949099 456673417 /nfs/dbraw/zinc/67/34/17/456673417.db2.gz ZCPUGVDGCGDOPR-CQSZACIVSA-N 0 1 325.412 3.239 20 10 EGCDMN Cc1nc2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2[nH]1 ZINC000283396869 456773365 /nfs/dbraw/zinc/77/33/65/456773365.db2.gz GWUJVCOYKPUYEG-UHFFFAOYSA-N 0 1 334.423 3.402 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366473103 457819613 /nfs/dbraw/zinc/81/96/13/457819613.db2.gz WEDLOIHVYPVTEI-NQIIRXRSSA-N 0 1 344.499 3.447 20 10 EGCDMN C[C@@H]1CN(Cc2ccc(N3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000366473103 457819616 /nfs/dbraw/zinc/81/96/16/457819616.db2.gz WEDLOIHVYPVTEI-NQIIRXRSSA-N 0 1 344.499 3.447 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cc(Br)ccc1[O-] ZINC000376895689 458416370 /nfs/dbraw/zinc/41/63/70/458416370.db2.gz XSWGYBAIXRPHLE-RJIBLYRGSA-N 0 1 326.234 3.373 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](Cc1ccccc1)N(C)C ZINC000471235260 458686844 /nfs/dbraw/zinc/68/68/44/458686844.db2.gz DQIRAVPAOOZZCL-HXUWFJFHSA-N 0 1 349.478 3.276 20 10 EGCDMN CCOC[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCO1 ZINC000530107683 458687144 /nfs/dbraw/zinc/68/71/44/458687144.db2.gz UJXZGHROFDFFFR-AWEZNQCLSA-N 0 1 345.439 3.255 20 10 EGCDMN CC[C@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000037267116 522560806 /nfs/dbraw/zinc/56/08/06/522560806.db2.gz BNFPSOPGOOMNSY-AWEZNQCLSA-N 0 1 327.266 3.290 20 10 EGCDMN CC[C@H]([NH2+][C@@H](C)Cn1ccnc1)c1cc(Br)ccc1[O-] ZINC000037158055 522690576 /nfs/dbraw/zinc/69/05/76/522690576.db2.gz YXZWBKKCTWPYCQ-FZMZJTMJSA-N 0 1 338.249 3.481 20 10 EGCDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1C ZINC000738464010 576328877 /nfs/dbraw/zinc/32/88/77/576328877.db2.gz VAKBXHGMBMJBBM-UHFFFAOYSA-N 0 1 335.350 3.374 20 10 EGCDMN COC[C@@H]1CN(Cc2cc3oc4ccccc4c3cc2O)CCO1 ZINC000742154361 576752260 /nfs/dbraw/zinc/75/22/60/576752260.db2.gz IHRKLYGNYPSBGZ-AWEZNQCLSA-N 0 1 327.380 3.139 20 10 EGCDMN C[N@@H+](Cc1cc(Br)ccc1O)C1(C(=O)[O-])CCCCC1 ZINC000312798780 604641411 /nfs/dbraw/zinc/64/14/11/604641411.db2.gz ANGNFEWTJGCUAU-UHFFFAOYSA-N 0 1 342.233 3.374 20 10 EGCDMN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000833695744 605041494 /nfs/dbraw/zinc/04/14/94/605041494.db2.gz VELHZWUIFMLHBM-LJQANCHMSA-N 0 1 339.439 3.330 20 10 EGCDMN Cc1csc(CC[NH2+]Cc2ccc(Br)cc2[O-])n1 ZINC000691500789 1298133163 /nfs/dbraw/zinc/13/31/63/1298133163.db2.gz JLTWLKYKNZAFOR-UHFFFAOYSA-N 0 1 327.247 3.252 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000691408753 1298133724 /nfs/dbraw/zinc/13/37/24/1298133724.db2.gz ALEHVCOCNDPWFY-AWEZNQCLSA-N 0 1 334.213 3.248 20 10 EGCDMN C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)cc3O)CC[C@H]21 ZINC000691681813 1298136460 /nfs/dbraw/zinc/13/64/60/1298136460.db2.gz YNKLEKPQSLQXPI-SWLSCSKDSA-N 0 1 339.277 3.071 20 10 EGCDMN COC1CCN(c2ccc(CN3CCOC(C)(C)[C@@H]3C)cc2)CC1 ZINC000828059188 1292425741 /nfs/dbraw/zinc/42/57/41/1292425741.db2.gz NABKWRWCMDZBAJ-INIZCTEOSA-N 0 1 332.488 3.301 20 10 EGCDMN COCc1ccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000091923250 1292849376 /nfs/dbraw/zinc/84/93/76/1292849376.db2.gz ZGEWTSLVOMKACU-UHFFFAOYSA-N 0 1 344.430 3.303 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cc2n(n1)CCCC2 ZINC000832058731 1292951500 /nfs/dbraw/zinc/95/15/00/1292951500.db2.gz CNLRXXNGARLWQB-UHFFFAOYSA-N 0 1 340.210 3.162 20 10 EGCDMN CCN1CCCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000104192499 1293019532 /nfs/dbraw/zinc/01/95/32/1293019532.db2.gz FSXBSGSTTZOVFZ-UHFFFAOYSA-N 0 1 331.485 3.323 20 10 EGCDMN C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc(Cl)ccc1[O-] ZINC000834884275 1293163573 /nfs/dbraw/zinc/16/35/73/1293163573.db2.gz XUFAFZZKNQDSAW-LLVKDONJSA-N 0 1 339.844 3.300 20 10 EGCDMN Cc1cnc(CC[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000834907825 1293172127 /nfs/dbraw/zinc/17/21/27/1293172127.db2.gz CXTGAZYDOSDXTM-NSHDSACASA-N 0 1 336.233 3.146 20 10 EGCDMN COc1cc(Br)cc(C[N@@H+](C)[C@@H]2CCSC2)c1O ZINC000130502473 1293659347 /nfs/dbraw/zinc/65/93/47/1293659347.db2.gz XIQHKTFDBJLTKO-LLVKDONJSA-N 0 1 332.263 3.101 20 10 EGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccccc1OC(F)F ZINC000151875647 1293942869 /nfs/dbraw/zinc/94/28/69/1293942869.db2.gz RNAUAIBIQIRTDY-UHFFFAOYSA-N 0 1 329.324 3.103 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1O ZINC000156398360 1294142420 /nfs/dbraw/zinc/14/24/20/1294142420.db2.gz SQMBULGUCQVNMR-UHFFFAOYSA-N 0 1 342.760 3.063 20 10 EGCDMN CCc1cc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n[nH]1 ZINC000173674796 1294468908 /nfs/dbraw/zinc/46/89/08/1294468908.db2.gz IARIPBJJEVIIFM-UHFFFAOYSA-N 0 1 325.368 3.113 20 10 EGCDMN COc1cccc(CN2CCN(c3ccccc3F)C[C@@H]2C)c1O ZINC000188034521 1295430093 /nfs/dbraw/zinc/43/00/93/1295430093.db2.gz AWMGHPBJQUPNSU-AWEZNQCLSA-N 0 1 330.403 3.251 20 10 EGCDMN Cc1ccccc1[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H](C)CO1 ZINC000246834273 1296371888 /nfs/dbraw/zinc/37/18/88/1296371888.db2.gz CYZIDIAIPONQEX-XOBRGWDASA-N 0 1 341.407 3.391 20 10 EGCDMN CC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)ccc1[O-] ZINC000311507900 1297107995 /nfs/dbraw/zinc/10/79/95/1297107995.db2.gz GQIAVBDUPDCBLJ-HIFRSBDPSA-N 0 1 328.250 3.356 20 10 EGCDMN CCCOc1ccc(CNCc2c(CC)nn(C)c2OC)cc1C ZINC000873100301 1297273098 /nfs/dbraw/zinc/27/30/98/1297273098.db2.gz OFGJKWQIDWXHFD-UHFFFAOYSA-N 0 1 331.460 3.378 20 10 EGCDMN CCCOc1ccc(CNC[C@H](n2cncn2)C(F)(F)F)cc1C ZINC000873150457 1297301758 /nfs/dbraw/zinc/30/17/58/1297301758.db2.gz KOKKGKJSVVTMCL-HNNXBMFYSA-N 0 1 342.365 3.269 20 10 EGCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2O)CCCO1 ZINC000382336054 1297556805 /nfs/dbraw/zinc/55/68/05/1297556805.db2.gz HTULCTFOZDCOCM-HNNXBMFYSA-N 0 1 328.250 3.402 20 10 EGCDMN CC(C)[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000382336054 1297556812 /nfs/dbraw/zinc/55/68/12/1297556812.db2.gz HTULCTFOZDCOCM-HNNXBMFYSA-N 0 1 328.250 3.402 20 10 EGCDMN CC(C)[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCCO1 ZINC000382336054 1297556818 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C[C@@H]([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756470475 1300498686 /nfs/dbraw/zinc/49/86/86/1300498686.db2.gz QNKIEHKYOZYNRJ-MRVPVSSYSA-N 0 1 342.155 3.384 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)Cc1cnccn1)c1ccc(Br)cc1[O-] ZINC000756494304 1300505959 /nfs/dbraw/zinc/50/59/59/1300505959.db2.gz LIEAGYMBSLUYQW-WDEREUQCSA-N 0 1 336.233 3.227 20 10 EGCDMN C[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000756619257 1300533704 /nfs/dbraw/zinc/53/37/04/1300533704.db2.gz XCTZKMZKXRGIDO-NWDGAFQWSA-N 0 1 327.266 3.290 20 10 EGCDMN C[C@H]([NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756737073 1300556251 /nfs/dbraw/zinc/55/62/51/1300556251.db2.gz DEELGLMSNABNAC-DRZSPHRISA-N 0 1 331.865 3.052 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1ccc2ccccc2c1[O-] ZINC000757653705 1300704026 /nfs/dbraw/zinc/70/40/26/1300704026.db2.gz JRMGFEKWAZNSHF-HIFRSBDPSA-N 0 1 333.453 3.163 20 10 EGCDMN COc1ccc(CNCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 ZINC000758486523 1300896776 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10 EGCDMN [O-]c1c(C[NH2+]Cc2ccccc2Cn2cncn2)ccc2ccccc21 ZINC000816527820 1319176197 /nfs/dbraw/zinc/17/61/97/1319176197.db2.gz AAQXQBJNKFECFO-UHFFFAOYSA-N 0 1 344.418 3.475 20 10 EGCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])[C@@]12CCCO2 ZINC000816569311 1319185512 /nfs/dbraw/zinc/18/55/12/1319185512.db2.gz HQJVZLJGXQPJIW-GGPKGHCWSA-N 0 1 327.424 3.362 20 10 EGCDMN COC(=O)[C@H](Cc1ccccc1)NCc1cc(Cl)c(F)cc1O ZINC000816589935 1319187938 /nfs/dbraw/zinc/18/79/38/1319187938.db2.gz MYLUBKRJNPMETC-HNNXBMFYSA-N 0 1 337.778 3.059 20 10 EGCDMN CCCN(CCC)C(=O)CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074019 1319748200 /nfs/dbraw/zinc/74/82/00/1319748200.db2.gz NEYKNILEBPYEIF-UHFFFAOYSA-N 0 1 331.504 3.366 20 10 EGCDMN Cc1cc(C(=O)Nc2n[nH]c3cc(O)ccc23)c(C)n1-c1ccccn1 ZINC000820213886 1319853253 /nfs/dbraw/zinc/85/32/53/1319853253.db2.gz RPTSSTFFHRMJTB-UHFFFAOYSA-N 0 1 347.378 3.323 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000823591412 1320189727 /nfs/dbraw/zinc/18/97/27/1320189727.db2.gz LAIHYHXTNMRFLG-IBGZPJMESA-N 0 1 331.387 3.073 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)C[C@](C)(O)c2ccccc2)c1[O-] ZINC000823591412 1320189729 /nfs/dbraw/zinc/18/97/29/1320189729.db2.gz LAIHYHXTNMRFLG-IBGZPJMESA-N 0 1 331.387 3.073 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000824689928 1320277845 /nfs/dbraw/zinc/27/78/45/1320277845.db2.gz WUXFBVYAYBZEMH-AWEZNQCLSA-N 0 1 336.233 3.188 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000824689928 1320277849 /nfs/dbraw/zinc/27/78/49/1320277849.db2.gz WUXFBVYAYBZEMH-AWEZNQCLSA-N 0 1 336.233 3.188 20 10 EGCDMN CCC1(CO)CC[NH+](Cc2ccc(Br)cc2[O-])CC1 ZINC000824849773 1320291898 /nfs/dbraw/zinc/29/18/98/1320291898.db2.gz HJDWAKUNILHQKU-UHFFFAOYSA-N 0 1 328.250 3.139 20 10 EGCDMN Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825130514 1320314076 /nfs/dbraw/zinc/31/40/76/1320314076.db2.gz BHZNZPGHYWYPCW-INIZCTEOSA-N 0 1 336.229 3.286 20 10 EGCDMN Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825253310 1320321798 /nfs/dbraw/zinc/32/17/98/1320321798.db2.gz GXJCHECSLAVIFU-MRXNPFEDSA-N 0 1 336.229 3.286 20 10 EGCDMN O=C(Nc1cccc(N2CCCCC2)c1)c1c(F)ccc(O)c1O ZINC000825529213 1320345489 /nfs/dbraw/zinc/34/54/89/1320345489.db2.gz BGIZWAZUMUMIMY-UHFFFAOYSA-N 0 1 330.359 3.480 20 10 EGCDMN COc1ccc(N2CCN(C[C@@]3(C)CC3(Cl)Cl)CC2)cc1 ZINC000827309090 1320442806 /nfs/dbraw/zinc/44/28/06/1320442806.db2.gz ADQIPWVNJPAVTL-OAHLLOKOSA-N 0 1 329.271 3.401 20 10 EGCDMN COc1ccc(N2CCCN(Cc3cnc(C4CC4)nc3)CC2)cc1 ZINC000838804159 1320820306 /nfs/dbraw/zinc/82/03/06/1320820306.db2.gz VNVNMSGYKJQKLN-UHFFFAOYSA-N 0 1 338.455 3.075 20 10 EGCDMN CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])C1 ZINC000841743416 1321304659 /nfs/dbraw/zinc/30/46/59/1321304659.db2.gz GDURXGHFQUEDIY-HIFRSBDPSA-N 0 1 326.868 3.053 20 10 EGCDMN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1ccc(Cl)cc1[O-] ZINC000841745023 1321305111 /nfs/dbraw/zinc/30/51/11/1321305111.db2.gz TVWBEUIDYWZKIC-LBPRGKRZSA-N 0 1 334.851 3.257 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841745011 1321305282 /nfs/dbraw/zinc/30/52/82/1321305282.db2.gz MJLUGFQMNRKCIC-BXUZGUMPSA-N 0 1 339.794 3.275 20 10 EGCDMN COc1cc(Cl)cc(CN[C@@H](CCO)c2ccccc2F)c1O ZINC000843430461 1321517163 /nfs/dbraw/zinc/51/71/63/1321517163.db2.gz VYIDBWDTQFGOSS-HNNXBMFYSA-N 0 1 339.794 3.407 20 10 EGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1cccc2c1OCCC2 ZINC000844665936 1321632206 /nfs/dbraw/zinc/63/22/06/1321632206.db2.gz WUZIMSQDFQTEQI-UHFFFAOYSA-N 0 1 333.409 3.080 20 10 EGCDMN CCn1nc(C)c(CN(C)CCN(C)c2ccc(OC)cc2)c1C ZINC000846053712 1321764883 /nfs/dbraw/zinc/76/48/83/1321764883.db2.gz WVPMBIWGDQFGML-UHFFFAOYSA-N 0 1 330.476 3.097 20 10 EGCDMN C[C@@H](Cc1cnc[nH]1)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000847303415 1321861109 /nfs/dbraw/zinc/86/11/09/1321861109.db2.gz BCTKDRZCOMLCEO-INIZCTEOSA-N 0 1 340.471 3.237 20 10 EGCDMN CCc1cccc(CNc2ccc(CCN3CCOCC3)cc2)c1O ZINC000848892044 1322031280 /nfs/dbraw/zinc/03/12/80/1322031280.db2.gz JBBCCYWJTSBGBC-UHFFFAOYSA-N 0 1 340.467 3.441 20 10 EGCDMN Cc1cccc([C@H]2C(=O)NCCN2Cc2cc(Cl)c(F)cc2O)c1 ZINC000848950237 1322049575 /nfs/dbraw/zinc/04/95/75/1322049575.db2.gz DEYVIMZVRZYGLB-KRWDZBQOSA-N 0 1 348.805 3.166 20 10 EGCDMN Cc1cccc([C@H]2C(=O)NCCN2Cc2c(O)ccc(Cl)c2F)c1 ZINC000848950937 1322051217 /nfs/dbraw/zinc/05/12/17/1322051217.db2.gz MHYRHPDFSCWQNI-KRWDZBQOSA-N 0 1 348.805 3.166 20 10 EGCDMN C[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1ccc2ccccc2c1[O-] ZINC000850558571 1322266864 /nfs/dbraw/zinc/26/68/64/1322266864.db2.gz ZZEKANRDFZBFDG-QAPCUYQASA-N 0 1 340.467 3.449 20 10 EGCDMN CCn1nccc1CNCc1ccc(N(C)C)cc1C(F)(F)F ZINC000853093516 1323278800 /nfs/dbraw/zinc/27/88/00/1323278800.db2.gz GBBHNLQFCUXGBZ-UHFFFAOYSA-N 0 1 326.366 3.278 20 10 EGCDMN Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2cnc(F)cn2)C1 ZINC000853310307 1325078900 /nfs/dbraw/zinc/07/89/00/1325078900.db2.gz FXDNLVVVWNMPGS-CYBMUJFWSA-N 0 1 336.798 3.051 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](Nc2cnc(F)cn2)C1 ZINC000853310307 1325078910 /nfs/dbraw/zinc/07/89/10/1325078910.db2.gz FXDNLVVVWNMPGS-CYBMUJFWSA-N 0 1 336.798 3.051 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Nc2cnc(F)cn2)C1 ZINC000853310307 1325078919 /nfs/dbraw/zinc/07/89/19/1325078919.db2.gz FXDNLVVVWNMPGS-CYBMUJFWSA-N 0 1 336.798 3.051 20 10 EGCDMN Cn1cc([C@@H](NCc2cc(Cl)cc(F)c2O)C(F)(F)F)cn1 ZINC000862364818 1329478121 /nfs/dbraw/zinc/47/81/21/1329478121.db2.gz HSLBOHUSOUTYAS-GFCCVEGCSA-N 0 1 337.704 3.311 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@]1(C)O ZINC001233029124 1376557758 /nfs/dbraw/zinc/55/77/58/1376557758.db2.gz ZDUJBAMYKBKEBU-BMIGLBTASA-N 0 1 346.240 3.277 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(C2CC2)[nH]1 ZINC001324014120 1387508733 /nfs/dbraw/zinc/50/87/33/1387508733.db2.gz YSBFMXLOPVCNSR-UHFFFAOYSA-N 0 1 326.183 3.230 20 10 EGCDMN O=C(NC1CC1)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001324743728 1387759131 /nfs/dbraw/zinc/75/91/31/1387759131.db2.gz FHBGHLYQMBPWTN-SNVBAGLBSA-N 0 1 343.254 3.190 20 10 EGCDMN O=C(Nc1ccccc1-c1ncc[nH]1)c1cc(O)c(O)c(Cl)c1 ZINC001193626406 1368077731 /nfs/dbraw/zinc/07/77/31/1368077731.db2.gz ZOQOVHOCTFGLQN-UHFFFAOYSA-N 0 1 329.743 3.394 20 10 EGCDMN C[C@H](NC(=O)c1cc(O)c(O)c(Cl)c1)c1cccc(N(C)C)c1 ZINC001193633672 1368079736 /nfs/dbraw/zinc/07/97/36/1368079736.db2.gz DWEVWDXZBKVRKW-JTQLQIEISA-N 0 1 334.803 3.308 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(C(F)(F)F)[nH]1 ZINC001194781729 1368321632 /nfs/dbraw/zinc/32/16/32/1368321632.db2.gz FVPRYVIDQDTOHF-UHFFFAOYSA-N 0 1 340.349 3.157 20 10 EGCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccccc2O)CCC1(F)F ZINC001203560540 1370169759 /nfs/dbraw/zinc/16/97/59/1370169759.db2.gz BVSACSYSWAAHKF-CQSZACIVSA-N 0 1 342.386 3.127 20 10 EGCDMN COc1cccc(CN2CCO[C@](C)(c3ccc(C)cc3)C2)c1O ZINC001203596491 1370182630 /nfs/dbraw/zinc/18/26/30/1370182630.db2.gz DKUUTLLKGPEDSV-FQEVSTJZSA-N 0 1 327.424 3.457 20 10 EGCDMN COc1ccc([C@@H]2CCCN2Cc2ccc(O)c(O)c2)cc1OC ZINC001203879107 1370297380 /nfs/dbraw/zinc/29/73/80/1370297380.db2.gz LSYYFKJAVSYXFF-HNNXBMFYSA-N 0 1 329.396 3.452 20 10 EGCDMN CN(C)c1ccc(CN2CC(=O)NC3(CCCC3)C2)c2ccccc21 ZINC001204241145 1370419090 /nfs/dbraw/zinc/41/90/90/1370419090.db2.gz WVPKGPMKJQJPMF-UHFFFAOYSA-N 0 1 337.467 3.150 20 10 EGCDMN C[C@@]1(c2ccc(Cl)cc2)CN(Cc2ccc(O)cc2O)CCO1 ZINC001204281154 1370430949 /nfs/dbraw/zinc/43/09/49/1370430949.db2.gz ROSXYXIHMPZQEP-SFHVURJKSA-N 0 1 333.815 3.499 20 10 EGCDMN COc1cc(Br)cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001204338316 1370447726 /nfs/dbraw/zinc/44/77/26/1370447726.db2.gz DLSWJIZEDZNEKI-KPXOXKRLSA-N 0 1 330.197 3.096 20 10 EGCDMN COc1cc(Br)cc(CN2C[C@@H]3C[C@H]2C[C@H]3F)c1O ZINC001204338316 1370447727 /nfs/dbraw/zinc/44/77/27/1370447727.db2.gz DLSWJIZEDZNEKI-KPXOXKRLSA-N 0 1 330.197 3.096 20 10 EGCDMN CCOc1ccc(N2CCN(C[C@@H](O)c3ccc(C)cc3)CC2)cc1 ZINC001116417664 1370907613 /nfs/dbraw/zinc/90/76/13/1370907613.db2.gz NYIVINZTTKZCLA-OAQYLSRUSA-N 0 1 340.467 3.249 20 10 EGCDMN N[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001206230050 1370999429 /nfs/dbraw/zinc/99/94/29/1370999429.db2.gz XSMFGGDCNJFSJL-INIZCTEOSA-N 0 1 327.394 3.142 20 10 EGCDMN COc1ccc(N2CCN(CCc3ccccc3F)CC2)c(OC)c1 ZINC001207502648 1371417101 /nfs/dbraw/zinc/41/71/01/1371417101.db2.gz BCLBMRLXJLMNIB-UHFFFAOYSA-N 0 1 344.430 3.208 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(CN2CCN(c3cnccn3)CC2)cc1 ZINC001209517449 1372127294 /nfs/dbraw/zinc/12/72/94/1372127294.db2.gz FTUPKKSMUQCCLJ-UHFFFAOYSA-N 0 1 347.466 3.206 20 10 EGCDMN COc1ccc(Br)c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1O ZINC001231556155 1376262789 /nfs/dbraw/zinc/26/27/89/1376262789.db2.gz YIZDKZYHTFQOOB-MNOVXSKESA-N 0 1 344.249 3.163 20 10 EGCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231910922 1376346623 /nfs/dbraw/zinc/34/66/23/1376346623.db2.gz ZLTFRHRZKONXEY-KBXCAEBGSA-N 0 1 339.863 3.453 20 10 EGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 ZINC001231910424 1376347041 /nfs/dbraw/zinc/34/70/41/1376347041.db2.gz PDTXUXUTUNZUPO-IYBDPMFKSA-N 0 1 343.858 3.004 20 10 EGCDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1c1ccccc1 ZINC001231914155 1376348800 /nfs/dbraw/zinc/34/88/00/1376348800.db2.gz ZCRGMKYCAFWFMZ-CVEARBPZSA-N 0 1 345.826 3.434 20 10 EGCDMN C[C@@H]1CN(Cc2cccc(Cl)c2O)Cc2nnc(C(F)(F)F)n21 ZINC001231914561 1376352032 /nfs/dbraw/zinc/35/20/32/1376352032.db2.gz OBBAISSKGPTFNJ-MRVPVSSYSA-N 0 1 346.740 3.233 20 10 EGCDMN CC(C)(C)OC(=O)N1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233076955 1376562919 /nfs/dbraw/zinc/56/29/19/1376562919.db2.gz YJLMWHJRBDIXMV-UHFFFAOYSA-N 0 1 342.386 3.113 20 10 EGCDMN CC(C)(C)OC(=O)N1CCC[N@@H+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233076955 1376562922 /nfs/dbraw/zinc/56/29/22/1376562922.db2.gz YJLMWHJRBDIXMV-UHFFFAOYSA-N 0 1 342.386 3.113 20 10 EGCDMN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C[C@H]1C ZINC001233336342 1376620860 /nfs/dbraw/zinc/62/08/60/1376620860.db2.gz INTTXOHAKWALAD-VXGBXAGGSA-N 0 1 327.371 3.082 20 10 EGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@H+](CCO)Cc1ccccc1 ZINC001233451319 1376649457 /nfs/dbraw/zinc/64/94/57/1376649457.db2.gz GPPHKMVRTKZZRS-UHFFFAOYSA-N 0 1 325.330 3.406 20 10 EGCDMN [O-]c1cc(C(F)(F)F)ccc1C[N@@H+](CCO)Cc1ccccc1 ZINC001233451319 1376649460 /nfs/dbraw/zinc/64/94/60/1376649460.db2.gz GPPHKMVRTKZZRS-UHFFFAOYSA-N 0 1 325.330 3.406 20 10 EGCDMN Oc1c(Br)cc(F)cc1CN1CCc2cccnc2C1 ZINC001235305014 1376867269 /nfs/dbraw/zinc/86/72/69/1376867269.db2.gz IMLTZZHUHGJWAR-UHFFFAOYSA-N 0 1 337.192 3.247 20 10 EGCDMN CCOC[C@H]1CN(Cc2ccc(C(C)C)cc2O)Cc2cn(C)nc21 ZINC001237052623 1376971040 /nfs/dbraw/zinc/97/10/40/1376971040.db2.gz XGGTUMQPTUVISC-GOSISDBHSA-N 0 1 343.471 3.385 20 10 EGCDMN Oc1ccc(C(F)(F)F)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001237141558 1376977182 /nfs/dbraw/zinc/97/71/82/1376977182.db2.gz YIVCSQVRBUZZDC-UHFFFAOYSA-N 0 1 332.341 3.029 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137831954 1377623829 /nfs/dbraw/zinc/62/38/29/1377623829.db2.gz ULOJRMFGCUOSHT-ZDUSSCGKSA-N 0 1 338.423 3.411 20 10 EGCDMN CC[N@@H+](Cc1c([O-])cccc1F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839014 1377626807 /nfs/dbraw/zinc/62/68/07/1377626807.db2.gz NZMJCFQHEJHFGT-ZDUSSCGKSA-N 0 1 338.423 3.363 20 10 EGCDMN CC[N@@H+](Cc1c([O-])cccc1F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001137839013 1377627053 /nfs/dbraw/zinc/62/70/53/1377627053.db2.gz NZMJCFQHEJHFGT-CYBMUJFWSA-N 0 1 338.423 3.363 20 10 EGCDMN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1cccc(F)c1[O-] ZINC001138128549 1377681352 /nfs/dbraw/zinc/68/13/52/1377681352.db2.gz QRYKTFUHUSPZSJ-TZMCWYRMSA-N 0 1 338.423 3.409 20 10 EGCDMN CC1(C)[N@@H+](Cc2cccc(F)c2[O-])CC[C@]12C(=O)Oc1ccccc12 ZINC001138131140 1377683424 /nfs/dbraw/zinc/68/34/24/1377683424.db2.gz RSHFEGDXJGWVNU-FQEVSTJZSA-N 0 1 341.382 3.373 20 10 EGCDMN FC1(F)C[C@H]2CN(Cc3ccc(N4CCCCC4)cc3)CCN2C1 ZINC001138220393 1377690802 /nfs/dbraw/zinc/69/08/02/1377690802.db2.gz ASANYYRLQUKRRL-SFHVURJKSA-N 0 1 335.442 3.202 20 10 EGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+](C(C)C)C1CCN(C)CC1 ZINC001139133725 1377835531 /nfs/dbraw/zinc/83/55/31/1377835531.db2.gz NJXWZEBWMXOKSL-UHFFFAOYSA-N 0 1 344.455 3.112 20 10 EGCDMN Cc1cc(C[N@H+]2CCCC[C@@](O)(C(F)(F)F)C2)ccc1N(C)C ZINC001139669755 1377930629 /nfs/dbraw/zinc/93/06/29/1377930629.db2.gz MADATONLPPBQEM-INIZCTEOSA-N 0 1 330.394 3.340 20 10 EGCDMN Cc1cc(C[N@H+]2CCC[C@@H](C(F)(F)F)[C@H]2CO)ccc1N(C)C ZINC001139670037 1377930659 /nfs/dbraw/zinc/93/06/59/1377930659.db2.gz WNKZCIZRPRUGCQ-GDBMZVCRSA-N 0 1 330.394 3.196 20 10 EGCDMN CC(C)(C)OC(=O)NCC1(C)C[NH+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139687659 1377934402 /nfs/dbraw/zinc/93/44/02/1377934402.db2.gz QNVNVIQSUJUOBB-UHFFFAOYSA-N 0 1 342.386 3.017 20 10 EGCDMN Cc1cccc(C(=O)N2CCN(Cc3c(C)ccc(C)c3O)CC2)c1 ZINC001140182572 1378027273 /nfs/dbraw/zinc/02/72/73/1378027273.db2.gz VTTAJRANSVSNAW-UHFFFAOYSA-N 0 1 338.451 3.275 20 10 EGCDMN OC1CCN(c2ccc(C[N@@H+](Cc3ccco3)C3CC3)cc2)CC1 ZINC001140287633 1378040853 /nfs/dbraw/zinc/04/08/53/1378040853.db2.gz HEYHJGPOLMIKIF-UHFFFAOYSA-N 0 1 326.440 3.405 20 10 EGCDMN OC1CCN(c2ccc(CN(Cc3ccco3)C3CC3)cc2)CC1 ZINC001140287633 1378040855 /nfs/dbraw/zinc/04/08/55/1378040855.db2.gz HEYHJGPOLMIKIF-UHFFFAOYSA-N 0 1 326.440 3.405 20 10 EGCDMN O=C([C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1)N1CCCCC1 ZINC001140345699 1378050907 /nfs/dbraw/zinc/05/09/07/1378050907.db2.gz YEALXYIRSDTDDH-AWEZNQCLSA-N 0 1 336.863 3.270 20 10 EGCDMN O=C([C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1)N1CCCCC1 ZINC001140345699 1378050910 /nfs/dbraw/zinc/05/09/10/1378050910.db2.gz YEALXYIRSDTDDH-AWEZNQCLSA-N 0 1 336.863 3.270 20 10 EGCDMN CN1c2ccccc2[C@]2(CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001140464942 1378068100 /nfs/dbraw/zinc/06/81/00/1378068100.db2.gz FLVMOUYIQFRHMG-LJQANCHMSA-N 0 1 342.826 3.166 20 10 EGCDMN CN1c2ccccc2[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)C1=O ZINC001140464942 1378068104 /nfs/dbraw/zinc/06/81/04/1378068104.db2.gz FLVMOUYIQFRHMG-LJQANCHMSA-N 0 1 342.826 3.166 20 10 EGCDMN 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CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(Br)ccc1[O-] ZINC000289233020 456118541 /nfs/dbraw/zinc/11/85/41/456118541.db2.gz DDNLKLJXTKGLMK-TXBJDVRTSA-N 0 1 338.245 3.010 20 10 EGCDMN COc1ccc(CNCc2ccc(N3CCCCC3)cc2)c(OC)n1 ZINC000289470328 456126796 /nfs/dbraw/zinc/12/67/96/456126796.db2.gz DISKZKWCZCEWBX-UHFFFAOYSA-N 0 1 341.455 3.379 20 10 EGCDMN OC[C@@]1(F)CCCN(Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000289736802 456139448 /nfs/dbraw/zinc/13/94/48/456139448.db2.gz IFUFWRRTBINMEX-HXUWFJFHSA-N 0 1 345.414 3.268 20 10 EGCDMN CC[C@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000297361089 456198561 /nfs/dbraw/zinc/19/85/61/456198561.db2.gz CASNJHHRNVONFK-LPHOPBHVSA-N 0 1 332.488 3.301 20 10 EGCDMN CC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)C[C@H](C)O1 ZINC000297361089 456198568 /nfs/dbraw/zinc/19/85/68/456198568.db2.gz CASNJHHRNVONFK-LPHOPBHVSA-N 0 1 332.488 3.301 20 10 EGCDMN Cc1noc(CCC[NH2+][C@H](C)c2cc(Br)ccc2[O-])n1 ZINC000273538292 456237447 /nfs/dbraw/zinc/23/74/47/456237447.db2.gz XTAWJXNSSRECAU-SECBINFHSA-N 0 1 340.221 3.130 20 10 EGCDMN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2[O-])o1 ZINC000273622710 456241434 /nfs/dbraw/zinc/24/14/34/456241434.db2.gz ZLQFHUOHDZXEJP-HZMBPMFUSA-N 0 1 340.217 3.440 20 10 EGCDMN O=C(CC1CCCC1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000378500619 457404340 /nfs/dbraw/zinc/40/43/40/457404340.db2.gz UIRGGJXACSVVNO-UHFFFAOYSA-N 0 1 334.435 3.146 20 10 EGCDMN CC[C@@H]([NH2+][C@H](C)Cn1ccnc1)c1cc(Br)ccc1[O-] ZINC000037158061 522934703 /nfs/dbraw/zinc/93/47/03/522934703.db2.gz YXZWBKKCTWPYCQ-BXUZGUMPSA-N 0 1 338.249 3.481 20 10 EGCDMN C[C@@H](NCc1nc2ccccc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000727469219 574669976 /nfs/dbraw/zinc/66/99/76/574669976.db2.gz UBFGCOMAVIQPAZ-OAHLLOKOSA-N 0 1 336.439 3.250 20 10 EGCDMN Oc1ccccc1C[N@H+](C[C@@H](O)COCc1ccco1)C1CCCC1 ZINC000733613631 575375359 /nfs/dbraw/zinc/37/53/59/575375359.db2.gz FBMWFMCOKMLAKP-GOSISDBHSA-N 0 1 345.439 3.308 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+](CC(=O)[O-])C2CCCC2)c1O ZINC000825946805 602339131 /nfs/dbraw/zinc/33/91/31/602339131.db2.gz QUFIAARZTUROEV-UHFFFAOYSA-N 0 1 325.792 3.077 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826511142 607706714 /nfs/dbraw/zinc/70/67/14/607706714.db2.gz DGMKCEPSVKSKQH-UHFFFAOYSA-N 0 1 341.802 3.005 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)[O-])c1O ZINC000833400448 605065630 /nfs/dbraw/zinc/06/56/30/605065630.db2.gz GGVGPFLDZYXVQR-YOEHRIQHSA-N 0 1 339.819 3.371 20 10 EGCDMN CCC1(C[NH2+]Cc2ccc(Br)cc2[O-])CCOCC1 ZINC000691489368 1298134288 /nfs/dbraw/zinc/13/42/88/1298134288.db2.gz QLHAEBFITSSECX-UHFFFAOYSA-N 0 1 328.250 3.451 20 10 EGCDMN COc1ccc(O)c(CN2CCN(C/C=C\c3ccccc3)CC2)c1 ZINC000033299898 1291385670 /nfs/dbraw/zinc/38/56/70/1291385670.db2.gz LKOBJRSGVWILBT-YVMONPNESA-N 0 1 338.451 3.232 20 10 EGCDMN Cc1noc(C)c1C[N@@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091812592 1292842333 /nfs/dbraw/zinc/84/23/33/1292842333.db2.gz ZFARVYBAVYEDCD-UHFFFAOYSA-N 0 1 325.752 3.191 20 10 EGCDMN Cc1noc(C)c1C[N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091812592 1292842345 /nfs/dbraw/zinc/84/23/45/1292842345.db2.gz ZFARVYBAVYEDCD-UHFFFAOYSA-N 0 1 325.752 3.191 20 10 EGCDMN CN(C)c1ccc(CN(C)Cc2cc(Br)cn2C)cc1 ZINC000091961255 1292850068 /nfs/dbraw/zinc/85/00/68/1292850068.db2.gz FIZHUEVDGRTNCC-UHFFFAOYSA-N 0 1 336.277 3.486 20 10 EGCDMN CN1CCCC[C@@H]1CC[N@H+](C)Cc1cccc(Br)c1[O-] ZINC000093660073 1292928932 /nfs/dbraw/zinc/92/89/32/1292928932.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 0 1 341.293 3.461 20 10 EGCDMN CN1CCCC[C@@H]1CC[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000093660073 1292928939 /nfs/dbraw/zinc/92/89/39/1292928939.db2.gz TWFKFNRZXMLEOS-CQSZACIVSA-N 0 1 341.293 3.461 20 10 EGCDMN Cc1cc(C(=O)N2CCN(C(C)C)CC2)c(C)n1-c1ccc(F)cc1 ZINC000105956358 1293046650 /nfs/dbraw/zinc/04/66/50/1293046650.db2.gz NPRPHBWMOWHHBF-UHFFFAOYSA-N 0 1 343.446 3.399 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)c1cc(Cl)ccc1[O-] ZINC000834914429 1293175983 /nfs/dbraw/zinc/17/59/83/1293175983.db2.gz USQHGHBSQXCICO-GHJWDPDVSA-N 0 1 335.835 3.350 20 10 EGCDMN CCOc1cccc(CN2CCc3c(cccc3C(=O)OC)C2)c1O ZINC000835068370 1293198747 /nfs/dbraw/zinc/19/87/47/1293198747.db2.gz GPWXSJDHKRRVRS-UHFFFAOYSA-N 0 1 341.407 3.136 20 10 EGCDMN C[C@H](C[C@H](O)c1ccco1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000130345613 1293653823 /nfs/dbraw/zinc/65/38/23/1293653823.db2.gz SKZUKFNVNLOGJS-YGRLFVJLSA-N 0 1 340.217 3.350 20 10 EGCDMN COc1ccc(O)c(CN2CCO[C@@H](CCc3ccccc3)C2)c1 ZINC000184246985 1295181175 /nfs/dbraw/zinc/18/11/75/1295181175.db2.gz UMVYYWKTCXCXLT-IBGZPJMESA-N 0 1 327.424 3.234 20 10 EGCDMN CCOC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000187689870 1295409207 /nfs/dbraw/zinc/40/92/07/1295409207.db2.gz SVYJFYQKYYHBRG-STQMWFEESA-N 0 1 338.423 3.439 20 10 EGCDMN C[C@@H](CN1CCCCC1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227437062 1296143792 /nfs/dbraw/zinc/14/37/92/1296143792.db2.gz PYWJEUYOZREYRW-LBPRGKRZSA-N 0 1 327.266 3.119 20 10 EGCDMN Cc1nonc1C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000872135644 1296761106 /nfs/dbraw/zinc/76/11/06/1296761106.db2.gz GTVXMVFMOSWZCI-LURJTMIESA-N 0 1 346.612 3.350 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2C[C@H](C)O)c1[O-] ZINC000320085571 1297159472 /nfs/dbraw/zinc/15/94/72/1297159472.db2.gz YBHIODFXUBMZGP-NHYWBVRUSA-N 0 1 325.836 3.374 20 10 EGCDMN C[C@@H]([NH2+]CCc1nnc2ccccn21)c1ccc2ccccc2c1[O-] ZINC000327290634 1297245939 /nfs/dbraw/zinc/24/59/39/1297245939.db2.gz JUPIRCZGQIEYIE-CQSZACIVSA-N 0 1 332.407 3.481 20 10 EGCDMN CCN(CC)[C@@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875171145 1298251240 /nfs/dbraw/zinc/25/12/40/1298251240.db2.gz PWIFFYTZUKKVAT-INIZCTEOSA-N 0 1 345.443 3.176 20 10 EGCDMN CC(C)O[C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715819263 1298288753 /nfs/dbraw/zinc/28/87/53/1298288753.db2.gz VDWBVSYOQFEDAK-GFCCVEGCSA-N 0 1 332.213 3.293 20 10 EGCDMN C[C@@H](NCc1ccc2c(c1)CCO2)C(=O)N1c2ccccc2C[C@H]1C ZINC000725843653 1298371486 /nfs/dbraw/zinc/37/14/86/1298371486.db2.gz XLKAECPEBIZGIY-HUUCEWRRSA-N 0 1 336.435 3.077 20 10 EGCDMN CCN(CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)o1 ZINC000746890553 1298679460 /nfs/dbraw/zinc/67/94/60/1298679460.db2.gz RVSSJKZOTXPHIC-UHFFFAOYSA-N 0 1 347.434 3.257 20 10 EGCDMN C[C@@H]1c2cccn2CCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876531407 1298808131 /nfs/dbraw/zinc/80/81/31/1298808131.db2.gz FMYFQBMGECBRGY-MRXNPFEDSA-N 0 1 325.456 3.026 20 10 EGCDMN Cc1ccc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c(O)c1 ZINC000877544979 1299388555 /nfs/dbraw/zinc/38/85/55/1299388555.db2.gz CJUZGRYFXDYXRV-UHFFFAOYSA-N 0 1 328.387 3.103 20 10 EGCDMN C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553928 1300520597 /nfs/dbraw/zinc/52/05/97/1300520597.db2.gz NIAGRWZFWKUULT-GHMZBOCLSA-N 0 1 345.256 3.286 20 10 EGCDMN C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)c1cc(Br)ccc1[O-] ZINC000756648792 1300540275 /nfs/dbraw/zinc/54/02/75/1300540275.db2.gz YTZBPUSPIMMFJI-ZETOZRRWSA-N 0 1 339.277 3.288 20 10 EGCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643266 1301135357 /nfs/dbraw/zinc/13/53/57/1301135357.db2.gz LUKBNOGAGIWTRH-ZDUSSCGKSA-N 0 1 345.409 3.032 20 10 EGCDMN C[C@@H](NC(=O)Nc1cc(CN(C)C)ccn1)c1ccc(N(C)C)cc1 ZINC000880601206 1301178694 /nfs/dbraw/zinc/17/86/94/1301178694.db2.gz PCTVKGPXAOAMII-CQSZACIVSA-N 0 1 341.459 3.092 20 10 EGCDMN CC[C@@H](NCc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000763502500 1301914492 /nfs/dbraw/zinc/91/44/92/1301914492.db2.gz NZSKBLIVMLVXGW-GFCCVEGCSA-N 0 1 344.249 3.365 20 10 EGCDMN O=C1O[C@H](CN(Cc2ccco2)Cc2ccccc2O)CC12CC2 ZINC000763732819 1301953444 /nfs/dbraw/zinc/95/34/44/1301953444.db2.gz WGRWUPACOZDBFN-INIZCTEOSA-N 0 1 327.380 3.083 20 10 EGCDMN CCN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1C ZINC000764151765 1302021948 /nfs/dbraw/zinc/02/19/48/1302021948.db2.gz ZSLUQNMQMUCUFH-UHFFFAOYSA-N 0 1 339.483 3.199 20 10 EGCDMN CN1CCN(c2ccccc2NCc2cc(F)cc(F)c2O)CC1 ZINC000883078376 1302234353 /nfs/dbraw/zinc/23/43/53/1302234353.db2.gz PAMCXENNWLYCTE-UHFFFAOYSA-N 0 1 333.382 3.034 20 10 EGCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(F)c(F)c1)[C@H](O)CO2 ZINC000768447835 1302907527 /nfs/dbraw/zinc/90/75/27/1302907527.db2.gz PXRYTOVZXCQSHH-FUHWJXTLSA-N 0 1 347.361 3.433 20 10 EGCDMN CCC[N@H+](CCc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445740 1302908383 /nfs/dbraw/zinc/90/83/83/1302908383.db2.gz HGUGNCTWRQCYMW-IBGZPJMESA-N 0 1 345.414 3.412 20 10 EGCDMN CCC[N@@H+](CCc1cccc(F)c1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768445740 1302908390 /nfs/dbraw/zinc/90/83/90/1302908390.db2.gz HGUGNCTWRQCYMW-IBGZPJMESA-N 0 1 345.414 3.412 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCOc3ccccc3C2)c1[O-] ZINC000768941998 1303017453 /nfs/dbraw/zinc/01/74/53/1303017453.db2.gz WZLGIEDRHPIVJC-UHFFFAOYSA-N 0 1 334.759 3.348 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOc3ccccc3C2)c1[O-] ZINC000768941998 1303017457 /nfs/dbraw/zinc/01/74/57/1303017457.db2.gz WZLGIEDRHPIVJC-UHFFFAOYSA-N 0 1 334.759 3.348 20 10 EGCDMN CCOc1ccc(O)c(CN2CCN(c3cccc(F)c3F)CC2)c1 ZINC000769425108 1303110542 /nfs/dbraw/zinc/11/05/42/1303110542.db2.gz LCUYEIRYUDSHFN-UHFFFAOYSA-N 0 1 348.393 3.391 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775137340 1303915580 /nfs/dbraw/zinc/91/55/80/1303915580.db2.gz KVXLQNRAQSWSPW-SDBXPKJASA-N 0 1 341.732 3.320 20 10 EGCDMN CC[C@@H]([NH2+]C[C@@H]1CCCCS1(=O)=O)c1cc(Cl)ccc1[O-] ZINC000775550747 1303983393 /nfs/dbraw/zinc/98/33/93/1303983393.db2.gz APDQHABHWRORTE-GXTWGEPZSA-N 0 1 331.865 3.054 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000775689262 1304015140 /nfs/dbraw/zinc/01/51/40/1304015140.db2.gz GGEXERRUXPUHJR-CMPLNLGQSA-N 0 1 327.705 3.072 20 10 EGCDMN CC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000779019027 1304518929 /nfs/dbraw/zinc/51/89/29/1304518929.db2.gz CONMZJROAZGUTB-KRWDZBQOSA-N 0 1 347.409 3.437 20 10 EGCDMN COCC1(C)CC[NH+](Cc2cc(Br)ccc2[O-])CC1 ZINC000779605471 1304586660 /nfs/dbraw/zinc/58/66/60/1304586660.db2.gz FBMUWDCBDAOTMM-UHFFFAOYSA-N 0 1 328.250 3.403 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000781912428 1304890419 /nfs/dbraw/zinc/89/04/19/1304890419.db2.gz PVKAMIUHGIPUII-KGLIPLIRSA-N 0 1 339.277 3.132 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CC[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000781912428 1304890421 /nfs/dbraw/zinc/89/04/21/1304890421.db2.gz PVKAMIUHGIPUII-KGLIPLIRSA-N 0 1 339.277 3.132 20 10 EGCDMN Oc1ccccc1CN(Cc1cnn(C2CCC2)c1)C[C@H]1CCCO1 ZINC000891468711 1305058427 /nfs/dbraw/zinc/05/84/27/1305058427.db2.gz WFNJDSHVZFSFMD-LJQANCHMSA-N 0 1 341.455 3.495 20 10 EGCDMN Oc1c(Br)cccc1CN1CCc2ncsc2C1 ZINC000783744792 1305138007 /nfs/dbraw/zinc/13/80/07/1305138007.db2.gz IOFFZGKMEXKEBC-UHFFFAOYSA-N 0 1 325.231 3.170 20 10 EGCDMN COc1ccc(CN2CCOc3ccccc3[C@H]2C)c(O)c1OC ZINC000891748589 1305155487 /nfs/dbraw/zinc/15/54/87/1305155487.db2.gz QYHADVKNHMUURV-CYBMUJFWSA-N 0 1 329.396 3.365 20 10 EGCDMN COc1ccc(CN(C)Cc2c(C)nc3sccn32)c(O)c1OC ZINC000891911715 1305207114 /nfs/dbraw/zinc/20/71/14/1305207114.db2.gz 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10 EGCDMN O=C1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CN1c1ccccc1F ZINC000812782610 1318454178 /nfs/dbraw/zinc/45/41/78/1318454178.db2.gz AHGWYMLPWJSTCC-CYBMUJFWSA-N 0 1 334.778 3.080 20 10 EGCDMN Cc1cc(CN2CCNC(=O)C[C@@H]2c2ccccc2)ccc1N(C)C ZINC000815032275 1318871845 /nfs/dbraw/zinc/87/18/45/1318871845.db2.gz DKHACLIXKPVVQA-HXUWFJFHSA-N 0 1 337.467 3.124 20 10 EGCDMN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816514603 1319170773 /nfs/dbraw/zinc/17/07/73/1319170773.db2.gz BZZGNRAWXGWYTM-RBUKOAKNSA-N 0 1 341.451 3.297 20 10 EGCDMN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)COCc2ccccc2)cc1Cl ZINC000824617095 1320270381 /nfs/dbraw/zinc/27/03/81/1320270381.db2.gz CCFBTBZDQNIGJN-KRWDZBQOSA-N 0 1 349.858 3.364 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1Cl ZINC000824617095 1320270385 /nfs/dbraw/zinc/27/03/85/1320270385.db2.gz CCFBTBZDQNIGJN-KRWDZBQOSA-N 0 1 349.858 3.364 20 10 EGCDMN [O-]c1c(C[NH+]2CCN(c3cccc(F)n3)CC2)ccc2ccccc21 ZINC000824815691 1320288205 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CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000826062820 1320381177 /nfs/dbraw/zinc/38/11/77/1320381177.db2.gz XPSWFOFYXKMRJH-CQSZACIVSA-N 0 1 328.250 3.402 20 10 EGCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@@]12CCCO2 ZINC000825513820 1320343664 /nfs/dbraw/zinc/34/36/64/1320343664.db2.gz KEWDLVQTYOMJBH-BBWFWOEESA-N 0 1 325.836 3.170 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC[C@H](O)c1ccccc1 ZINC000825922371 1320371383 /nfs/dbraw/zinc/37/13/83/1320371383.db2.gz QIXWNQWZDLQJIM-HNNXBMFYSA-N 0 1 336.229 3.368 20 10 EGCDMN CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])CC1(C)C ZINC000826062820 1320381172 /nfs/dbraw/zinc/38/11/72/1320381172.db2.gz XPSWFOFYXKMRJH-CQSZACIVSA-N 0 1 328.250 3.402 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000826535434 1320386261 /nfs/dbraw/zinc/38/62/61/1320386261.db2.gz WYTZJMPRVFYGMO-MRXNPFEDSA-N 0 1 336.863 3.091 20 10 EGCDMN C[C@@H](NCc1ccc2c(n1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000838916095 1320834009 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O=C([O-])[C@@H]1CCCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000840997643 1321196016 /nfs/dbraw/zinc/19/60/16/1321196016.db2.gz VIZJBDLHCODYBH-INIZCTEOSA-N 0 1 347.415 3.024 20 10 EGCDMN CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000841296051 1321248579 /nfs/dbraw/zinc/24/85/79/1321248579.db2.gz ODUBOZRURJVGFZ-LJQANCHMSA-N 0 1 338.455 3.397 20 10 EGCDMN CC[C@@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841296051 1321248584 /nfs/dbraw/zinc/24/85/84/1321248584.db2.gz ODUBOZRURJVGFZ-LJQANCHMSA-N 0 1 338.455 3.397 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000843123093 1321473540 /nfs/dbraw/zinc/47/35/40/1321473540.db2.gz GUMACCBRWFSXQP-INIZCTEOSA-N 0 1 339.277 3.039 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000844172944 1321575159 /nfs/dbraw/zinc/57/51/59/1321575159.db2.gz KSXNOKYXTFDENW-LJQANCHMSA-N 0 1 325.456 3.157 20 10 EGCDMN COc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000845900550 1321751924 /nfs/dbraw/zinc/75/19/24/1321751924.db2.gz AJTOUYQZWRAVFW-UHFFFAOYSA-N 0 1 344.430 3.303 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CC(=O)OC(C)C)C(C)C)c1[O-] ZINC000847074571 1321838565 /nfs/dbraw/zinc/83/85/65/1321838565.db2.gz KOLKIXQAIHHWPH-MRXNPFEDSA-N 0 1 339.407 3.190 20 10 EGCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC000847364982 1321866766 /nfs/dbraw/zinc/86/67/66/1321866766.db2.gz GBUGNNQUEGPMOI-OAHLLOKOSA-N 0 1 328.460 3.092 20 10 EGCDMN O=C1NCCCN1c1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000850413095 1322241634 /nfs/dbraw/zinc/24/16/34/1322241634.db2.gz HDIJYPBEAOMSCZ-UHFFFAOYSA-N 0 1 345.830 3.255 20 10 EGCDMN CC[C@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850547056 1322264235 /nfs/dbraw/zinc/26/42/35/1322264235.db2.gz ABTYWAWQTBYFCK-LBPRGKRZSA-N 0 1 334.338 3.150 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN([C@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000850558429 1322267515 /nfs/dbraw/zinc/26/75/15/1322267515.db2.gz WSTGTZHDWLVWOJ-DOTOQJQBSA-N 0 1 338.879 3.340 20 10 EGCDMN C[C@@H]1C[C@H]([NH2+]C[C@H]2CC(=O)N(C(C)(C)C)C2)c2c1c(F)ccc2[O-] ZINC000850558383 1322267574 /nfs/dbraw/zinc/26/75/74/1322267574.db2.gz RIEJDALDTCBRAZ-BZPMIXESSA-N 0 1 334.435 3.316 20 10 EGCDMN CCc1cccnc1[C@@H](C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000850568299 1322269848 /nfs/dbraw/zinc/26/98/48/1322269848.db2.gz UZMFVIYHIXAXKZ-MRXNPFEDSA-N 0 1 339.483 3.456 20 10 EGCDMN CCOC(=O)c1c(C)[nH]nc1CN(C)c1ccc(OC)c(Cl)c1 ZINC000851809384 1323094841 /nfs/dbraw/zinc/09/48/41/1323094841.db2.gz VCPZTJRCVVSHAC-UHFFFAOYSA-N 0 1 337.807 3.193 20 10 EGCDMN COc1ccc(-n2c(C)cc(C(=O)N(C)Cc3cnc[nH]3)c2C)cc1 ZINC000855134711 1325354869 /nfs/dbraw/zinc/35/48/69/1325354869.db2.gz XROPATGQGXMNSE-UHFFFAOYSA-N 0 1 338.411 3.098 20 10 EGCDMN CN(C)c1cc(F)c(CN2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000862374237 1329479721 /nfs/dbraw/zinc/47/97/21/1329479721.db2.gz JWLGKNRHXIMUSK-FQEVSTJZSA-N 0 1 346.421 3.167 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000862396868 1329482239 /nfs/dbraw/zinc/48/22/39/1329482239.db2.gz BJTLPRYEKLFQEW-LBPRGKRZSA-N 0 1 328.250 3.139 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000862396868 1329482241 /nfs/dbraw/zinc/48/22/41/1329482241.db2.gz BJTLPRYEKLFQEW-LBPRGKRZSA-N 0 1 328.250 3.139 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866436242 1330112307 /nfs/dbraw/zinc/11/23/07/1330112307.db2.gz LJCLDYMQUATIPJ-PELKAZGASA-N 0 1 334.729 3.091 20 10 EGCDMN C[NH+](C)CCc1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193230038 1367972679 /nfs/dbraw/zinc/97/26/79/1367972679.db2.gz PGIYLRSZXPDAQY-UHFFFAOYSA-N 0 1 334.803 3.108 20 10 EGCDMN O=C(NCc1cccc2ncccc12)c1cc(O)c(O)c(Cl)c1 ZINC001193624821 1368077646 /nfs/dbraw/zinc/07/76/46/1368077646.db2.gz AARQBVBPMXRYSG-UHFFFAOYSA-N 0 1 328.755 3.229 20 10 EGCDMN C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186867 1368761873 /nfs/dbraw/zinc/76/18/73/1368761873.db2.gz LWCLBBQDGGNZNL-HLAUDOPJSA-N 0 1 346.456 3.330 20 10 EGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12CC2 ZINC001203586067 1370178994 /nfs/dbraw/zinc/17/89/94/1370178994.db2.gz JYLHONBVACWXAU-NSHDSACASA-N 0 1 330.211 3.084 20 10 EGCDMN CCOc1cccc(CN2CCN(c3cccc(F)c3)CC2)c1O ZINC001203617316 1370189673 /nfs/dbraw/zinc/18/96/73/1370189673.db2.gz NAMMLOIMLSQDHS-UHFFFAOYSA-N 0 1 330.403 3.252 20 10 EGCDMN COc1ccc(C[N@@H+](C[C@@H](O)c2ccccc2OC)C(C)C)c(O)c1 ZINC001203629004 1370193332 /nfs/dbraw/zinc/19/33/32/1370193332.db2.gz NJEJYGGLHHBXLQ-LJQANCHMSA-N 0 1 345.439 3.353 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203651442 1370201629 /nfs/dbraw/zinc/20/16/29/1370201629.db2.gz OMNXZFIWFUGSLE-STQMWFEESA-N 0 1 341.732 3.273 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001203651442 1370201631 /nfs/dbraw/zinc/20/16/31/1370201631.db2.gz OMNXZFIWFUGSLE-STQMWFEESA-N 0 1 341.732 3.273 20 10 EGCDMN Cc1cnc2n1CCC21CC[NH+](Cc2cc(Cl)ccc2[O-])CC1 ZINC001203655963 1370203490 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/nfs/dbraw/zinc/53/53/72/456535372.db2.gz UMQJRZLHHYDKCQ-QGZVFWFLSA-N 0 1 348.240 3.078 20 10 EGCDMN C[C@@H](Nc1ccc(CS(C)(=O)=O)cc1)c1ccc(F)c(F)c1O ZINC000276869358 456604850 /nfs/dbraw/zinc/60/48/50/456604850.db2.gz DOAMMAWSNHKTCW-SNVBAGLBSA-N 0 1 341.379 3.388 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000352140235 457341392 /nfs/dbraw/zinc/34/13/92/457341392.db2.gz JYHWAVNTAZAAGK-UHFFFAOYSA-N 0 1 345.406 3.202 20 10 EGCDMN COC(=O)c1cc(CNCc2c(C)c3ccccc3n2C)oc1C ZINC000355135896 457344453 /nfs/dbraw/zinc/34/44/53/457344453.db2.gz OXZZJHXIYIWVHD-UHFFFAOYSA-N 0 1 326.396 3.465 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1[O-] ZINC000363868542 457457696 /nfs/dbraw/zinc/45/76/96/457457696.db2.gz NVDIFPZFXPRYAK-ZBFHGGJFSA-N 0 1 336.439 3.208 20 10 EGCDMN COC[C@@H]1CCCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000375096852 457789265 /nfs/dbraw/zinc/78/92/65/457789265.db2.gz MOPYWPHYRSIREF-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN COC[C@@H]1CCCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000375096852 457789269 /nfs/dbraw/zinc/78/92/69/457789269.db2.gz MOPYWPHYRSIREF-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(c3cn[nH]c3)CC2)c1[O-] ZINC000372700432 458322772 /nfs/dbraw/zinc/32/27/72/458322772.db2.gz IZSVWSORZOUFCE-UHFFFAOYSA-N 0 1 333.819 3.351 20 10 EGCDMN O=C(CSc1n[nH]c(CCC2CCCC2)n1)c1ccc(O)c(O)c1 ZINC000031797101 527055338 /nfs/dbraw/zinc/05/53/38/527055338.db2.gz CQOXHSIFSHPQSA-UHFFFAOYSA-N 0 1 347.440 3.314 20 10 EGCDMN O=C(CSc1nc(CCC2CCCC2)n[nH]1)c1ccc(O)c(O)c1 ZINC000031797101 527055343 /nfs/dbraw/zinc/05/53/43/527055343.db2.gz CQOXHSIFSHPQSA-UHFFFAOYSA-N 0 1 347.440 3.314 20 10 EGCDMN C[C@@H](CN(C)CC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000727438074 574667372 /nfs/dbraw/zinc/66/73/72/574667372.db2.gz OEOPPKRANISSCI-KRWDZBQOSA-N 0 1 339.483 3.104 20 10 EGCDMN CCN(C)[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000729535231 574869134 /nfs/dbraw/zinc/86/91/34/574869134.db2.gz 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EGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472290 1292871647 /nfs/dbraw/zinc/87/16/47/1292871647.db2.gz HIWKECBXUHDILS-QGZVFWFLSA-N 0 1 335.831 3.055 20 10 EGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)COCc1ccccc1 ZINC000092472290 1292871658 /nfs/dbraw/zinc/87/16/58/1292871658.db2.gz HIWKECBXUHDILS-QGZVFWFLSA-N 0 1 335.831 3.055 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C)c1[O-] ZINC000831656140 1292903345 /nfs/dbraw/zinc/90/33/45/1292903345.db2.gz WQZBXBMZGYZPCH-IRXDYDNUSA-N 0 1 325.424 3.113 20 10 EGCDMN CC[C@@H]1CN(Cc2cc(Br)cc(OC)c2O)CCS1 ZINC000093502042 1292923377 /nfs/dbraw/zinc/92/33/77/1292923377.db2.gz FTYOROYNBIWJNE-GFCCVEGCSA-N 0 1 346.290 3.491 20 10 EGCDMN Oc1c(Br)cccc1CN1CCOCC12CCCC2 ZINC000093840664 1292933147 /nfs/dbraw/zinc/93/31/47/1292933147.db2.gz FZCJZEDXSQQUAX-UHFFFAOYSA-N 0 1 326.234 3.300 20 10 EGCDMN CC1(C(=O)NCc2cc(Cl)cc(Cl)c2O)CCC(=O)CC1 ZINC000832712847 1293039069 /nfs/dbraw/zinc/03/90/69/1293039069.db2.gz ITRKOZDHNABTAD-UHFFFAOYSA-N 0 1 330.211 3.465 20 10 EGCDMN Cc1cc(C)c(CCNC(=O)C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111236395 1293102026 /nfs/dbraw/zinc/10/20/26/1293102026.db2.gz OPSNWZBDVNULKJ-UHFFFAOYSA-N 0 1 340.467 3.108 20 10 EGCDMN Cc1cc(C)c(CCNC(=O)CN(C)Cc2ccccc2O)c(C)c1 ZINC000111236395 1293102032 /nfs/dbraw/zinc/10/20/32/1293102032.db2.gz OPSNWZBDVNULKJ-UHFFFAOYSA-N 0 1 340.467 3.108 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000133645684 1293750150 /nfs/dbraw/zinc/75/01/50/1293750150.db2.gz TYEBCALZTHLOCQ-CQSZACIVSA-N 0 1 340.851 3.439 20 10 EGCDMN COc1cc(C)cc(CN2CCO[C@@](C)(c3ccccc3)C2)c1O ZINC000164498123 1294349006 /nfs/dbraw/zinc/34/90/06/1294349006.db2.gz ICIIZIZSUFNSMN-HXUWFJFHSA-N 0 1 327.424 3.457 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)c1[O-] ZINC000177124493 1294655532 /nfs/dbraw/zinc/65/55/32/1294655532.db2.gz UONHSOIYNBVJGP-MRXNPFEDSA-N 0 1 336.863 3.308 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@@H](C)N1CCOCC1 ZINC000185376008 1295260457 /nfs/dbraw/zinc/26/04/57/1295260457.db2.gz BAPLZOZNPVKDBX-OWCLPIDISA-N 0 1 328.456 3.305 20 10 EGCDMN COc1ccc(O)c(CNC(C)(C)c2nc3ccccc3n2C)c1 ZINC000186425917 1295326578 /nfs/dbraw/zinc/32/65/78/1295326578.db2.gz XRTHQMOOYVBMSR-UHFFFAOYSA-N 0 1 325.412 3.312 20 10 EGCDMN CCc1cc(O)ccc1NS(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000189425831 1295520299 /nfs/dbraw/zinc/52/02/99/1295520299.db2.gz DCQQUNPIEQCQMB-UHFFFAOYSA-N 0 1 334.372 3.376 20 10 EGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C)c1 ZINC000189418478 1295521579 /nfs/dbraw/zinc/52/15/79/1295521579.db2.gz XMFFNWBPVPIPJA-UHFFFAOYSA-N 0 1 325.361 3.039 20 10 EGCDMN O=C(NCCCSc1nccs1)c1[nH]nc2c1CCCCC2 ZINC000190409793 1295588267 /nfs/dbraw/zinc/58/82/67/1295588267.db2.gz GPOBRANBQXFBNM-UHFFFAOYSA-N 0 1 336.486 3.047 20 10 EGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000245810691 1296325532 /nfs/dbraw/zinc/32/55/32/1296325532.db2.gz CILZWRQERVXKCP-UKRRQHHQSA-N 0 1 328.250 3.280 20 10 EGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000245810691 1296325549 /nfs/dbraw/zinc/32/55/49/1296325549.db2.gz CILZWRQERVXKCP-UKRRQHHQSA-N 0 1 328.250 3.280 20 10 EGCDMN CC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cc(Br)ccc1[O-] ZINC000311507902 1297108406 /nfs/dbraw/zinc/10/84/06/1297108406.db2.gz GQIAVBDUPDCBLJ-ZFWWWQNUSA-N 0 1 328.250 3.356 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]C1(CCO)CCCCC1 ZINC000687285463 1298119764 /nfs/dbraw/zinc/11/97/64/1298119764.db2.gz LGRKUMRNDZBVFB-UHFFFAOYSA-N 0 1 328.250 3.330 20 10 EGCDMN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000708494292 1298240381 /nfs/dbraw/zinc/24/03/81/1298240381.db2.gz FAIWEIOHQGTXMX-OAHLLOKOSA-N 0 1 332.394 3.282 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000713534764 1298271436 /nfs/dbraw/zinc/27/14/36/1298271436.db2.gz BFVAIXSYXQFUHB-BPLDGKMQSA-N 0 1 338.245 3.202 20 10 EGCDMN CC(C)N1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715826799 1298289739 /nfs/dbraw/zinc/28/97/39/1298289739.db2.gz JJCRFHZIOPCEJQ-UHFFFAOYSA-N 0 1 345.256 3.256 20 10 EGCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])CC1(C)OCCO1 ZINC000716015710 1298292696 /nfs/dbraw/zinc/29/26/96/1298292696.db2.gz UIZWQTGJYYZXTA-LLVKDONJSA-N 0 1 344.249 3.034 20 10 EGCDMN CCN(CC)c1ccc(CN(C)[C@H]2CCCN(C(C)C)C2=O)cc1 ZINC000748809737 1299085213 /nfs/dbraw/zinc/08/52/13/1299085213.db2.gz JCBJVUGIAMNPEG-IBGZPJMESA-N 0 1 331.504 3.364 20 10 EGCDMN CCc1cc(CN2CC[C@](F)(C(=O)OC)C2)c(O)c(C(C)(C)C)c1 ZINC000751940522 1299658519 /nfs/dbraw/zinc/65/85/19/1299658519.db2.gz VEAJCQMQBAYDFT-LJQANCHMSA-N 0 1 337.435 3.339 20 10 EGCDMN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Br)cc1[O-] ZINC000756432906 1300490436 /nfs/dbraw/zinc/49/04/36/1300490436.db2.gz LPUXONORCFQFQP-IINYFYTJSA-N 0 1 327.266 3.146 20 10 EGCDMN C[C@H]([NH2+]CCCCn1ccnc1)c1ccc(Br)cc1[O-] ZINC000756457982 1300496452 /nfs/dbraw/zinc/49/64/52/1300496452.db2.gz INPMVENCYZJHQW-LBPRGKRZSA-N 0 1 338.249 3.482 20 10 EGCDMN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] 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[O-]c1cccc(Br)c1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140098459 1378007128 /nfs/dbraw/zinc/00/71/28/1378007128.db2.gz BHXXVNGCVNJNEF-XHDPSFHLSA-N 0 1 326.234 3.156 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001140098459 1378007131 /nfs/dbraw/zinc/00/71/31/1378007131.db2.gz BHXXVNGCVNJNEF-XHDPSFHLSA-N 0 1 326.234 3.156 20 10 EGCDMN Cc1ccc(C)c(CN2CCOC[C@H]2CCC(=O)OC(C)(C)C)c1O ZINC001140184701 1378028458 /nfs/dbraw/zinc/02/84/58/1378028458.db2.gz FFYUHVCCXHRENF-MRXNPFEDSA-N 0 1 349.471 3.332 20 10 EGCDMN COc1ccc(CC[N@H+](Cc2c(O)cccc2Cl)C[C@@H](C)O)cc1 ZINC001140338017 1378048295 /nfs/dbraw/zinc/04/82/95/1378048295.db2.gz QZMWCOSNISYPPF-CQSZACIVSA-N 0 1 349.858 3.480 20 10 EGCDMN COc1ccc(CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@@H](C)O)cc1 ZINC001140338017 1378048297 /nfs/dbraw/zinc/04/82/97/1378048297.db2.gz QZMWCOSNISYPPF-CQSZACIVSA-N 0 1 349.858 3.480 20 10 EGCDMN COc1ccc(CC[N@H+](Cc2c([O-])cccc2Cl)C[C@@H](C)O)cc1 ZINC001140338017 1378048299 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/nfs/dbraw/zinc/10/93/34/1378109334.db2.gz ZMIARWIRYOHKLN-HXUWFJFHSA-N 0 1 341.430 3.394 20 10 EGCDMN Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC(C)C)CC[C@H]32)c(O)c1 ZINC001140950280 1378190380 /nfs/dbraw/zinc/19/03/80/1378190380.db2.gz POTNSUNUSNJQAF-QWFCFKBJSA-N 0 1 333.472 3.495 20 10 EGCDMN COC(=O)CN(Cc1cc2c3c(c1)CCCN3CCC2)C1CCCC1 ZINC001141078250 1378234174 /nfs/dbraw/zinc/23/41/74/1378234174.db2.gz QLLGHXWFFFHEDT-UHFFFAOYSA-N 0 1 342.483 3.303 20 10 EGCDMN CN1CCOc2cc(CN3CC[C@](CF)(C(F)(F)F)C3)ccc21 ZINC001141139796 1378247326 /nfs/dbraw/zinc/24/73/26/1378247326.db2.gz BOXZOBYCGUXCMX-OAHLLOKOSA-N 0 1 332.341 3.239 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CCC[C@@H]1O ZINC001141367781 1378311684 /nfs/dbraw/zinc/31/16/84/1378311684.db2.gz PSZNYYFCCPWSLN-RNCFNFMXSA-N 0 1 348.668 3.401 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CCC[C@@H]1O ZINC001141367783 1378312357 /nfs/dbraw/zinc/31/23/57/1378312357.db2.gz PSZNYYFCCPWSLN-ZANVPECISA-N 0 1 348.668 3.401 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001142524994 1378453377 /nfs/dbraw/zinc/45/33/77/1378453377.db2.gz SJJSFYREOMUXHY-DNVCBOLYSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001142524994 1378453379 /nfs/dbraw/zinc/45/33/79/1378453379.db2.gz SJJSFYREOMUXHY-DNVCBOLYSA-N 0 1 344.405 3.377 20 10 EGCDMN C[C@H]1CN(Cc2cc(Br)c(F)cc2O)CCCC1=O ZINC001144298277 1378711923 /nfs/dbraw/zinc/71/19/23/1378711923.db2.gz AJXVLQXESWYGMM-VIFPVBQESA-N 0 1 330.197 3.095 20 10 EGCDMN C[C@]1(CO)CCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144298530 1378711548 /nfs/dbraw/zinc/71/15/48/1378711548.db2.gz FTDQZGJGDLAJON-HNNXBMFYSA-N 0 1 346.240 3.278 20 10 EGCDMN CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001172758015 1384844909 /nfs/dbraw/zinc/84/49/09/1384844909.db2.gz DNRAJOJQFBSIRL-NSHDSACASA-N 0 1 344.249 3.365 20 10 EGCDMN COCC1=CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001338249574 1389605410 /nfs/dbraw/zinc/60/54/10/1389605410.db2.gz AQQBAMSLFWLGIK-UHFFFAOYSA-N 0 1 330.197 3.072 20 10 EGCDMN Cc1cccc(C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1O ZINC000826298366 1426546038 /nfs/dbraw/zinc/54/60/38/1426546038.db2.gz PKAJQSWQUCMELN-UHFFFAOYSA-N 0 1 335.411 3.045 20 10 EGCDMN O=C([O-])[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1ccc(F)cc1 ZINC000756364600 955264090 /nfs/dbraw/zinc/26/40/90/955264090.db2.gz ORPLSFVFCYFHDU-AWEZNQCLSA-N 0 1 327.714 3.239 20 10 EGCDMN C[C@@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000817881262 955381685 /nfs/dbraw/zinc/38/16/85/955381685.db2.gz IANKVQLEMNGRQY-YPMHNXCESA-N 0 1 344.377 3.314 20 10 EGCDMN O=C([O-])[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC000840995393 955581794 /nfs/dbraw/zinc/58/17/94/955581794.db2.gz GHGGDUCYZBLPCG-LJQANCHMSA-N 0 1 336.435 3.156 20 10 EGCDMN C[C@](C[NH2+]Cc1c(O)ccc(Cl)c1F)(C(=O)[O-])c1ccccc1 ZINC001589066325 955749665 /nfs/dbraw/zinc/74/96/65/955749665.db2.gz DTKDUOYPELZTRO-QGZVFWFLSA-N 0 1 337.778 3.317 20 10 EGCDMN COc1cc(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001594056717 958042823 /nfs/dbraw/zinc/04/28/23/958042823.db2.gz VXKMEONUWVDQJJ-TZMCWYRMSA-N 0 1 335.444 3.241 20 10 EGCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)cc1 ZINC000901516894 980334043 /nfs/dbraw/zinc/33/40/43/980334043.db2.gz GWYUCCMYQOORMF-SFHVURJKSA-N 0 1 348.443 3.383 20 10 EGCDMN CN(C)c1ccc(/C=C\C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])cc1 ZINC000901987758 980668512 /nfs/dbraw/zinc/66/85/12/980668512.db2.gz GDTZRRVTIAMFIO-PRPIBZDOSA-N 0 1 336.435 3.450 20 10 EGCDMN CCOc1cccc(C[N@H+]2CCc3c(F)ccc(C(=O)[O-])c3C2)c1O ZINC001597155514 986949743 /nfs/dbraw/zinc/94/97/43/986949743.db2.gz NNHWIRNIFDERDV-UHFFFAOYSA-N 0 1 345.370 3.187 20 10 EGCDMN C[C@@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001594169034 998653020 /nfs/dbraw/zinc/65/30/20/998653020.db2.gz ZGZJGCWQPUEHFQ-RDTXWAMCSA-N 0 1 341.407 3.266 20 10 EGCDMN CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)cs1 ZINC001599043589 999135140 /nfs/dbraw/zinc/13/51/40/999135140.db2.gz XMIQUYYRTLHKHS-VHSXEESVSA-N 0 1 336.413 3.105 20 10 EGCDMN COc1ccc(O)c(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000180678126 455225710 /nfs/dbraw/zinc/22/57/10/455225710.db2.gz IRCIAPVUXMBRCI-ZAMGYDSWSA-N 0 1 333.453 3.331 20 10 EGCDMN Cc1cc(C(=O)NC2(c3nnc[nH]3)CCC2)c(C)n1-c1cccc(C)c1 ZINC000190351149 455300528 /nfs/dbraw/zinc/30/05/28/455300528.db2.gz FVAIZABQRDPANH-UHFFFAOYSA-N 0 1 349.438 3.330 20 10 EGCDMN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054521135 453933721 /nfs/dbraw/zinc/93/37/21/453933721.db2.gz CPGFWRFFEZOAGG-KRWDZBQOSA-N 0 1 338.451 3.284 20 10 EGCDMN O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccccc32)C1 ZINC000054521135 453933724 /nfs/dbraw/zinc/93/37/24/453933724.db2.gz CPGFWRFFEZOAGG-KRWDZBQOSA-N 0 1 338.451 3.284 20 10 EGCDMN CCN(Cc1cc(C)no1)Cc1cc(Br)ccc1O ZINC000076118579 453966675 /nfs/dbraw/zinc/96/66/75/453966675.db2.gz JCWBXNGOBWYWEW-UHFFFAOYSA-N 0 1 325.206 3.473 20 10 EGCDMN Oc1ccccc1C[N@@H+](C[C@@H](O)c1ccccc1)C[C@@H]1CCCO1 ZINC000111233004 454858924 /nfs/dbraw/zinc/85/89/24/454858924.db2.gz KPSRRIBWILTMJS-AZUAARDMSA-N 0 1 327.424 3.107 20 10 EGCDMN O=C(CCCc1ccccc1)N1CCN(Cc2ccccc2O)CC1 ZINC000179566619 455059050 /nfs/dbraw/zinc/05/90/50/455059050.db2.gz CTVRCAFZNJWKRO-UHFFFAOYSA-N 0 1 338.451 3.059 20 10 EGCDMN O=c1[nH]c2ccccc2n1C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179892483 455095413 /nfs/dbraw/zinc/09/54/13/455095413.db2.gz WIBXIOWGSHDVLX-UHFFFAOYSA-N 0 1 341.386 3.011 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000185217748 455523434 /nfs/dbraw/zinc/52/34/34/455523434.db2.gz KVEDKCITGPOJQX-ZJUUUORDSA-N 0 1 343.265 3.109 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000185218122 455523533 /nfs/dbraw/zinc/52/35/33/455523533.db2.gz SFXWQTGOLXDEGN-ZJUUUORDSA-N 0 1 343.265 3.109 20 10 EGCDMN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000185475791 455563198 /nfs/dbraw/zinc/56/31/98/455563198.db2.gz SXAJDTYYMFHAEJ-GIGQVBGESA-N 0 1 348.306 3.353 20 10 EGCDMN COc1coc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cc1=O ZINC000268438093 455683587 /nfs/dbraw/zinc/68/35/87/455683587.db2.gz FRPJZYWHFXIAML-UHFFFAOYSA-N 0 1 330.428 3.125 20 10 EGCDMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1cc(Br)ccc1[O-] ZINC000248500064 455717825 /nfs/dbraw/zinc/71/78/25/455717825.db2.gz NBSQGBKEOAUEIL-UDTVLSCZSA-N 0 1 348.240 3.464 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(CCCO)Cc2ccccc2)c1O ZINC000268964474 455746970 /nfs/dbraw/zinc/74/69/70/455746970.db2.gz JOUDKRVDPSJDIM-UHFFFAOYSA-N 0 1 331.387 3.119 20 10 EGCDMN COC1CCN(c2ccc(CN[C@@H](CCO)c3ccco3)cc2)CC1 ZINC000295628935 455855825 /nfs/dbraw/zinc/85/58/25/455855825.db2.gz AZYWQXRWQBTDSD-IBGZPJMESA-N 0 1 344.455 3.108 20 10 EGCDMN Cc1ccnc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000285580851 455875112 /nfs/dbraw/zinc/87/51/12/455875112.db2.gz INGQZZPMGUYFIS-OAHLLOKOSA-N 0 1 329.419 3.217 20 10 EGCDMN 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/nfs/dbraw/zinc/46/58/63/1378465863.db2.gz LUIRNYOKAINOEI-UHFFFAOYSA-N 0 1 328.412 3.298 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001144299012 1378713386 /nfs/dbraw/zinc/71/33/86/1378713386.db2.gz ORPUPNOBWXHOOH-MEBBXXQBSA-N 0 1 344.224 3.295 20 10 EGCDMN Cc1ccc(Cl)c(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156656078 1380605498 /nfs/dbraw/zinc/60/54/98/1380605498.db2.gz NZRBGBXDZBVRJR-UHFFFAOYSA-N 0 1 330.863 3.407 20 10 EGCDMN CN1CCN(c2ccc(CNc3ncc4ccsc4n3)cc2)CC1 ZINC001167423315 1383630302 /nfs/dbraw/zinc/63/03/02/1383630302.db2.gz VLANUEZOGQESKW-UHFFFAOYSA-N 0 1 339.468 3.055 20 10 EGCDMN CN1CCN(c2ccc(CNc3cccc4cc(N)cnc43)cc2)CC1 ZINC001167437650 1383634356 /nfs/dbraw/zinc/63/43/56/1383634356.db2.gz XJTISYGISGUGLR-UHFFFAOYSA-N 0 1 347.466 3.181 20 10 EGCDMN O=C(C[NH2+][C@@H]1CCc2cccc(Cl)c2C1)c1ccc([O-])c(O)c1 ZINC001170907226 1384408792 /nfs/dbraw/zinc/40/87/92/1384408792.db2.gz IDKMFJZHMBUFPT-CYBMUJFWSA-N 0 1 331.799 3.081 20 10 EGCDMN CN(C)c1ccc(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC001171640881 1384589857 /nfs/dbraw/zinc/58/98/57/1384589857.db2.gz DRRZHWBUJCOLHT-UHFFFAOYSA-N 0 1 345.487 3.336 20 10 EGCDMN COc1cccc(Cl)c1CNCc1ccc(OC)c(OC)c1O ZINC001333766544 1390396974 /nfs/dbraw/zinc/39/69/74/1390396974.db2.gz HNJRAASEMHNBHL-UHFFFAOYSA-N 0 1 337.803 3.361 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(C(=O)NCc2n[nH]c(C3CC3)n2)cc1 ZINC001344363151 1390786840 /nfs/dbraw/zinc/78/68/40/1390786840.db2.gz UYJJFCMJEMMLRT-UHFFFAOYSA-N 0 1 335.411 3.020 20 10 EGCDMN CN(C)c1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1 ZINC000825878753 1426717721 /nfs/dbraw/zinc/71/77/21/1426717721.db2.gz DGKKHOFSTZAYQE-LJQANCHMSA-N 0 1 348.454 3.100 20 10 EGCDMN CCOc1cccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1O ZINC000392384013 972478171 /nfs/dbraw/zinc/47/81/71/972478171.db2.gz XKZDILBHLTZTGH-UHFFFAOYSA-N 0 1 327.380 3.047 20 10 EGCDMN CC[C@H](C)[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(C)c1O ZINC001594979442 982768537 /nfs/dbraw/zinc/76/85/37/982768537.db2.gz QHKPNBGCDXFWQH-JTQLQIEISA-N 0 1 330.222 3.148 20 10 EGCDMN CCN(C)c1ccc(C[N@@H+](C)[C@@H](C(=O)[O-])c2cccc(OC)c2)cc1 ZINC001596194936 983578346 /nfs/dbraw/zinc/57/83/46/983578346.db2.gz YTWMFNSJYQNFHY-LJQANCHMSA-N 0 1 342.439 3.409 20 10 EGCDMN C[N@H+](Cc1cccc(F)c1O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598526133 992723598 /nfs/dbraw/zinc/72/35/98/992723598.db2.gz MVJAWBCFJPCMOG-CQSZACIVSA-N 0 1 343.276 3.206 20 10 EGCDMN C[N@@H+](Cc1cccc(F)c1O)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC001598526133 992723601 /nfs/dbraw/zinc/72/36/01/992723601.db2.gz MVJAWBCFJPCMOG-CQSZACIVSA-N 0 1 343.276 3.206 20 10 EGCDMN COc1cc(C[N@H+]2CC[C@H](C)C[C@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001599406532 997316195 /nfs/dbraw/zinc/31/61/95/997316195.db2.gz DOULFGUYITYIAC-LRDDRELGSA-N 0 1 335.444 3.383 20 10 EGCDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2cc(C(=O)[O-])c(C)o2)c1O ZINC001599420684 997589459 /nfs/dbraw/zinc/58/94/59/997589459.db2.gz OZAFHNCEHNRXAE-UHFFFAOYSA-N 0 1 339.775 3.286 20 10 EGCDMN COc1ccccc1C[C@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000865715725 1126115293 /nfs/dbraw/zinc/11/52/93/1126115293.db2.gz CSEBJJSVFYUCDZ-GOSISDBHSA-N 0 1 335.831 3.138 20 10 EGCDMN N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(N3CCCCC3)cc2)N1 ZINC000007127092 283410340 /nfs/dbraw/zinc/41/03/40/283410340.db2.gz QRJWICZIBWXUCM-SFHVURJKSA-N 0 1 346.438 3.123 20 10 EGCDMN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000015571712 453576965 /nfs/dbraw/zinc/57/69/65/453576965.db2.gz ORLKYHLAFNUKCI-UHFFFAOYSA-N 0 1 341.411 3.063 20 10 EGCDMN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)C(C)(C)C)cc1 ZINC000089629589 454170360 /nfs/dbraw/zinc/17/03/60/454170360.db2.gz XKYJEVSVRZSVRA-CQSZACIVSA-N 0 1 326.506 3.007 20 10 EGCDMN Oc1cccc(Cl)c1CNCc1cccnc1OCC(F)F ZINC000132563805 454348342 /nfs/dbraw/zinc/34/83/42/454348342.db2.gz KIUSICFOOMIJEX-UHFFFAOYSA-N 0 1 328.746 3.374 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1[O-] ZINC000121204941 454405460 /nfs/dbraw/zinc/40/54/60/454405460.db2.gz AHWQSBHJNDVYIG-JTQLQIEISA-N 0 1 336.779 3.057 20 10 EGCDMN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093742095 454731262 /nfs/dbraw/zinc/73/12/62/454731262.db2.gz JVCZAUJZVNFTGI-LBPRGKRZSA-N 0 1 341.839 3.118 20 10 EGCDMN C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+](C)Cc1ccccc1O ZINC000109769493 454835138 /nfs/dbraw/zinc/83/51/38/454835138.db2.gz VGKYNEAYFOEBBL-HILYYZTDSA-N 0 1 342.483 3.298 20 10 EGCDMN C[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1O ZINC000109772939 454835536 /nfs/dbraw/zinc/83/55/36/454835536.db2.gz WIBJEGLKCQVKGZ-UHFFFAOYSA-N 0 1 332.831 3.184 20 10 EGCDMN C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109769542 454835580 /nfs/dbraw/zinc/83/55/80/454835580.db2.gz QKZYWSIVJULJKG-CVEARBPZSA-N 0 1 326.440 3.132 20 10 EGCDMN C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccc(Cl)cc1 ZINC000109770533 454835903 /nfs/dbraw/zinc/83/59/03/454835903.db2.gz IVVCFTFSAMBUHG-ZDUSSCGKSA-N 0 1 332.831 3.355 20 10 EGCDMN CC(=O)c1ccc(NC(=O)CC[N@H+](C)Cc2ccccc2O)cc1 ZINC000109771403 454836021 /nfs/dbraw/zinc/83/60/21/454836021.db2.gz NYPYKYNLTYRXCJ-UHFFFAOYSA-N 0 1 326.396 3.055 20 10 EGCDMN CC(C)N(CC(=O)N(C)c1nccs1)Cc1ccc(N(C)C)cc1 ZINC000264963168 455298433 /nfs/dbraw/zinc/29/84/33/455298433.db2.gz GOMGLPSJJBBCNW-UHFFFAOYSA-N 0 1 346.500 3.083 20 10 EGCDMN Cc1noc([C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000191248477 455471329 /nfs/dbraw/zinc/47/13/29/455471329.db2.gz JEZDLORBZLMEPX-JTQLQIEISA-N 0 1 325.771 3.256 20 10 EGCDMN C[C@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1ccc(Br)cc1[O-] ZINC000185475773 455563079 /nfs/dbraw/zinc/56/30/79/455563079.db2.gz SXAJDTYYMFHAEJ-APBUJDDRSA-N 0 1 348.306 3.353 20 10 EGCDMN C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1[O-])CN1CCOCC1 ZINC000185505036 455569979 /nfs/dbraw/zinc/56/99/79/455569979.db2.gz YLQUIWSEUOXPPF-HOTGVXAUSA-N 0 1 328.456 3.164 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1ccc(Br)cc1[O-] ZINC000185736605 455609870 /nfs/dbraw/zinc/60/98/70/455609870.db2.gz SMAGUEZGOUVXNH-WZRBSPASSA-N 0 1 328.250 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ZINC000187528172 455921221 /nfs/dbraw/zinc/92/12/21/455921221.db2.gz ZTWNBKYNTXZGIP-LJQANCHMSA-N 0 1 341.386 3.153 20 10 EGCDMN CN(C)c1ccc(CN[C@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000272738983 456056399 /nfs/dbraw/zinc/05/63/99/456056399.db2.gz IEDFFOZUHKSRCO-HXOBKFHXSA-N 0 1 334.460 3.101 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000271054004 456114524 /nfs/dbraw/zinc/11/45/24/456114524.db2.gz YGKQDPVFGNVKQE-CYBMUJFWSA-N 0 1 342.830 3.468 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000271054004 456114528 /nfs/dbraw/zinc/11/45/28/456114528.db2.gz YGKQDPVFGNVKQE-CYBMUJFWSA-N 0 1 342.830 3.468 20 10 EGCDMN CC(C)N(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1ccc(N(C)C)cc1 ZINC000271083831 456119964 /nfs/dbraw/zinc/11/99/64/456119964.db2.gz SEPXFXQLYWGJPT-UHFFFAOYSA-N 0 1 342.487 3.193 20 10 EGCDMN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C2 ZINC000289678268 456136906 /nfs/dbraw/zinc/13/69/06/456136906.db2.gz NUPSURFEUVIJCX-PBWFPOADSA-N 0 1 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459741810 /nfs/dbraw/zinc/74/18/10/459741810.db2.gz SJGBPNPCRWSEFC-GOSISDBHSA-N 0 1 333.815 3.156 20 10 EGCDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1ccc(N(C)C)cc1 ZINC000726980632 574627010 /nfs/dbraw/zinc/62/70/10/574627010.db2.gz CKHPTZBBSQWCMO-KRWDZBQOSA-N 0 1 339.483 3.404 20 10 EGCDMN CCn1cc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cn1 ZINC000735676344 575698881 /nfs/dbraw/zinc/69/88/81/575698881.db2.gz KSWXMOAEWMZILN-UHFFFAOYSA-N 0 1 343.431 3.091 20 10 EGCDMN CC[N@H+]1CC[C@H](N(C)c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC000737111782 576118999 /nfs/dbraw/zinc/11/89/99/576118999.db2.gz FECKLCRVWWICFE-HAANDJBQSA-N 0 1 347.415 3.002 20 10 EGCDMN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756629573 576159949 /nfs/dbraw/zinc/15/99/49/576159949.db2.gz PZAAJPAEHRWURE-NWDGAFQWSA-N 0 1 327.266 3.147 20 10 EGCDMN Cc1cc(C[N@H+]2CCSC[C@H]2CC(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC000738385370 576320442 /nfs/dbraw/zinc/32/04/42/576320442.db2.gz LUVYPNWREIUQMR-CQSZACIVSA-N 0 1 337.485 3.390 20 10 EGCDMN COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000743259543 576804381 /nfs/dbraw/zinc/80/43/81/576804381.db2.gz CMRCONJFUHVKSU-UHFFFAOYSA-N 0 1 327.789 3.163 20 10 EGCDMN COc1ccc(N2CCN(Cc3cccc(N(C)C)c3)CC2)cc1 ZINC000743835677 576816386 /nfs/dbraw/zinc/81/63/86/576816386.db2.gz HIWRPOZKFKDJBE-UHFFFAOYSA-N 0 1 325.456 3.083 20 10 EGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@H]3COCC[C@@H]32)c1O ZINC000833308354 601636772 /nfs/dbraw/zinc/63/67/72/601636772.db2.gz RIBNPHACMUGZNA-KSSFIOAISA-N 0 1 341.407 3.245 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)[O-])c1O ZINC000833400441 605065614 /nfs/dbraw/zinc/06/56/14/605065614.db2.gz GGVGPFLDZYXVQR-RHSMWYFYSA-N 0 1 339.819 3.371 20 10 EGCDMN COc1ccc(CN[C@H](C)c2c(C)noc2C)cc1Cn1cccn1 ZINC000873049654 1297247551 /nfs/dbraw/zinc/24/75/51/1297247551.db2.gz JZTGNFBWBMGFPJ-CYBMUJFWSA-N 0 1 340.427 3.396 20 10 EGCDMN O=C(Cc1[nH]nc2ccccc21)NCc1ccc(N2CCCCC2)cc1 ZINC000050627633 1291653679 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1298486398 /nfs/dbraw/zinc/48/63/98/1298486398.db2.gz IHMNONFXZNXRQA-UHFFFAOYSA-N 0 1 342.443 3.468 20 10 EGCDMN Cc1cccc(O)c1CN1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000876665396 1298907901 /nfs/dbraw/zinc/90/79/01/1298907901.db2.gz WEBCTZMVZYSXEA-UHFFFAOYSA-N 0 1 349.434 3.140 20 10 EGCDMN Cc1cccc(O)c1CN(Cc1ccc(C(N)=O)cc1F)C1CC1 ZINC000877544960 1299388906 /nfs/dbraw/zinc/38/89/06/1299388906.db2.gz CAUMFANINVUAKK-UHFFFAOYSA-N 0 1 328.387 3.103 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+](C)CCN(C)c2ccccc2)c1[O-] ZINC000750825657 1299459726 /nfs/dbraw/zinc/45/97/26/1299459726.db2.gz ILEYGPQUVUJHFH-UHFFFAOYSA-N 0 1 330.403 3.302 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+](C)CCN(C)c2ccccc2)c1[O-] ZINC000750825657 1299459730 /nfs/dbraw/zinc/45/97/30/1299459730.db2.gz ILEYGPQUVUJHFH-UHFFFAOYSA-N 0 1 330.403 3.302 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)CCN(C)c2ccccc2)c1O ZINC000750825657 1299459735 /nfs/dbraw/zinc/45/97/35/1299459735.db2.gz ILEYGPQUVUJHFH-UHFFFAOYSA-N 0 1 330.403 3.302 20 10 EGCDMN CCOc1cccc(CN2CCc3ccc(NC(C)=O)cc3C2)c1O ZINC000877817135 1299578421 /nfs/dbraw/zinc/57/84/21/1299578421.db2.gz RIFVPZAJHNWHED-UHFFFAOYSA-N 0 1 340.423 3.308 20 10 EGCDMN Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(N2CCOCC2)c1 ZINC000754045692 1300069798 /nfs/dbraw/zinc/06/97/98/1300069798.db2.gz IKOCXZMMJMXUHO-UHFFFAOYSA-N 0 1 346.858 3.480 20 10 EGCDMN CCCN(Cc1nc2ccc(OC)nc2[nH]1)Cc1ccccc1O ZINC000760859053 1301351936 /nfs/dbraw/zinc/35/19/36/1301351936.db2.gz KUZQHFRMPNVBLE-UHFFFAOYSA-N 0 1 326.400 3.084 20 10 EGCDMN CC(C)c1ccoc1C(=O)NCc1ccc(N2CCN(C)CC2)cc1 ZINC000881853848 1301742883 /nfs/dbraw/zinc/74/28/83/1301742883.db2.gz LZHUOZXAOKUABM-UHFFFAOYSA-N 0 1 341.455 3.085 20 10 EGCDMN Cc1cc(C)c2c(N)c(C(=O)OCCN3CCCCC3)sc2n1 ZINC000763293008 1301867901 /nfs/dbraw/zinc/86/79/01/1301867901.db2.gz FEJCRMHWAIWLQH-UHFFFAOYSA-N 0 1 333.457 3.138 20 10 EGCDMN CC[NH+]1CCN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000882907270 1302158120 /nfs/dbraw/zinc/15/81/20/1302158120.db2.gz RWKCGTGRMGEJIL-UHFFFAOYSA-N 0 1 347.409 3.424 20 10 EGCDMN Cc1ccc([C@@H](C)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000765254568 1302228662 /nfs/dbraw/zinc/22/86/62/1302228662.db2.gz NNPWJDOTWJXNST-WBVHZDCISA-N 0 1 341.455 3.141 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC000766223886 1302412678 /nfs/dbraw/zinc/41/26/78/1302412678.db2.gz JUWCBBCSCRQHTL-OAHLLOKOSA-N 0 1 339.277 3.261 20 10 EGCDMN C[C@H](NCc1ccc(F)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766606526 1302485921 /nfs/dbraw/zinc/48/59/21/1302485921.db2.gz CBEFQDGYTVBWRL-ZDUSSCGKSA-N 0 1 333.382 3.047 20 10 EGCDMN CCN(CC)c1ccc(CN(C)Cc2cnc(N(C)C)nc2)cc1 ZINC000768207349 1302856824 /nfs/dbraw/zinc/85/68/24/1302856824.db2.gz FRILUXPSIGEPFB-UHFFFAOYSA-N 0 1 327.476 3.021 20 10 EGCDMN CO[C@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768755828 1302971241 /nfs/dbraw/zinc/97/12/41/1302971241.db2.gz YNLSMAPENGSKTP-INIZCTEOSA-N 0 1 333.432 3.196 20 10 EGCDMN C[N@@H+](Cc1cccc(C(N)=O)c1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000768927676 1303015430 /nfs/dbraw/zinc/01/54/30/1303015430.db2.gz UWBGNMVNVQPCDL-UHFFFAOYSA-N 0 1 339.222 3.430 20 10 EGCDMN CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775206026 1303924860 /nfs/dbraw/zinc/92/48/60/1303924860.db2.gz UBKPQNKTLALAIN-QGZVFWFLSA-N 0 1 338.404 3.090 20 10 EGCDMN CCC[C@]1(COC)CCC[N@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775206026 1303924865 /nfs/dbraw/zinc/92/48/65/1303924865.db2.gz UBKPQNKTLALAIN-QGZVFWFLSA-N 0 1 338.404 3.090 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2cncc(Cl)c2)c(C)c(C)c1O ZINC000775288659 1303934543 /nfs/dbraw/zinc/93/45/43/1303934543.db2.gz PFAHUIUIUJALIE-UHFFFAOYSA-N 0 1 326.805 3.167 20 10 EGCDMN CC[C@@H]([NH2+][C@H]1CCCN(C(=O)OC)C1)c1cc(Cl)ccc1[O-] ZINC000775499427 1303974028 /nfs/dbraw/zinc/97/40/28/1303974028.db2.gz DQRWLEDEXGJMER-GXTWGEPZSA-N 0 1 326.824 3.317 20 10 EGCDMN CC[C@@H]([NH2+]Cc1cccc(OCC(N)=O)c1)c1cc(Cl)ccc1[O-] ZINC000775509437 1303976179 /nfs/dbraw/zinc/97/61/79/1303976179.db2.gz SEFYHINFFCOOCZ-MRXNPFEDSA-N 0 1 348.830 3.151 20 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MLNKWIWHALIAMR-KRWDZBQOSA-N 0 1 330.403 3.416 20 10 EGCDMN O=C1[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])CCCN1C1CCCCC1 ZINC000785546967 1305376625 /nfs/dbraw/zinc/37/66/25/1305376625.db2.gz DOTWGMNBLYSFDL-INIZCTEOSA-N 0 1 336.863 3.459 20 10 EGCDMN C[C@@H]([NH2+]CCOC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000788982187 1306057344 /nfs/dbraw/zinc/05/73/44/1306057344.db2.gz VWJZLZNCSPOZBW-SSDOTTSWSA-N 0 1 328.128 3.342 20 10 EGCDMN Cc1cccc(C)c1NC(=O)CN(C)Cc1cc(F)cc(F)c1O ZINC000893893095 1306116880 /nfs/dbraw/zinc/11/68/80/1306116880.db2.gz YFVYKPVFTZNBOF-UHFFFAOYSA-N 0 1 334.366 3.358 20 10 EGCDMN Oc1c(F)cc(Br)cc1CN1CCOC2(CCC2)C1 ZINC000894049631 1306192202 /nfs/dbraw/zinc/19/22/02/1306192202.db2.gz IFIPFFRXOWXLTC-UHFFFAOYSA-N 0 1 330.197 3.049 20 10 EGCDMN O=C(Nc1ccc(Br)cc1)c1c(F)ccc(O)c1O ZINC000789938397 1306234913 /nfs/dbraw/zinc/23/49/13/1306234913.db2.gz BUOFKUSOTORXTC-UHFFFAOYSA-N 0 1 326.121 3.252 20 10 EGCDMN CC(C)CC(=O)Nc1ccc(NC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000789952561 1306235853 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C[C@H]1C[C@@H](CO)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000895034379 1309165262 /nfs/dbraw/zinc/16/52/62/1309165262.db2.gz QIECMOHKSWPDIW-VHSXEESVSA-N 0 1 348.668 3.258 20 10 EGCDMN Cc1cc(Br)cc(CN(C)Cc2cccc(=O)[nH]2)c1O ZINC000897391969 1310319816 /nfs/dbraw/zinc/31/98/16/1310319816.db2.gz HUXOIBZOKQNDIL-UHFFFAOYSA-N 0 1 337.217 3.196 20 10 EGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C[C@@](C)(O)C(F)(F)F ZINC000799106330 1310487467 /nfs/dbraw/zinc/48/74/67/1310487467.db2.gz COTHJZQBEZCCTB-MRXNPFEDSA-N 0 1 330.394 3.422 20 10 EGCDMN CN(C)c1ccc([C@@H](C[NH2+]Cc2nc3ccccc3o2)N(C)C)cc1 ZINC000898449498 1310740572 /nfs/dbraw/zinc/74/05/72/1310740572.db2.gz GTHLTALSQNJUNE-GOSISDBHSA-N 0 1 338.455 3.286 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000826048167 1320380802 /nfs/dbraw/zinc/38/08/02/1320380802.db2.gz FMRLOXXXFAUILE-RBSFLKMASA-N 0 1 340.261 3.280 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000826048167 1320380806 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[O-]c1c(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816601292 1319192151 /nfs/dbraw/zinc/19/21/51/1319192151.db2.gz XAIYDQPYTHOTFI-QGZVFWFLSA-N 0 1 340.467 3.090 20 10 EGCDMN [O-]c1c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)ccc2ccccc21 ZINC000816601292 1319192160 /nfs/dbraw/zinc/19/21/60/1319192160.db2.gz XAIYDQPYTHOTFI-QGZVFWFLSA-N 0 1 340.467 3.090 20 10 EGCDMN CCc1nocc1C[N@@H+](C)Cc1cccc(Br)c1[O-] ZINC000816652725 1319201711 /nfs/dbraw/zinc/20/17/11/1319201711.db2.gz ROTNCOWOYHRKMG-UHFFFAOYSA-N 0 1 325.206 3.337 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC000822508308 1320090102 /nfs/dbraw/zinc/09/01/02/1320090102.db2.gz SWGCIPWCYRICHY-WMZOPIPTSA-N 0 1 345.487 3.194 20 10 EGCDMN CN(C)c1ccc(CN2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC000822508308 1320090107 /nfs/dbraw/zinc/09/01/07/1320090107.db2.gz SWGCIPWCYRICHY-WMZOPIPTSA-N 0 1 345.487 3.194 20 10 EGCDMN O=C(Nc1nnc(C2CCCCC2)s1)c1c(F)ccc(O)c1O ZINC000824165995 1320234838 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ODUBOZRURJVGFZ-IBGZPJMESA-N 0 1 338.455 3.397 20 10 EGCDMN CC[C@H]1CN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000841296049 1321248435 /nfs/dbraw/zinc/24/84/35/1321248435.db2.gz ODUBOZRURJVGFZ-IBGZPJMESA-N 0 1 338.455 3.397 20 10 EGCDMN C[C@@H](c1ccncc1)N1CCC(NC(=O)Nc2ccc(N)cc2)CC1 ZINC000841298183 1321249049 /nfs/dbraw/zinc/24/90/49/1321249049.db2.gz NECITQPOXRDUNX-AWEZNQCLSA-N 0 1 339.443 3.011 20 10 EGCDMN C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1ccc(Cl)cc1[O-] ZINC000841752866 1321306437 /nfs/dbraw/zinc/30/64/37/1321306437.db2.gz QMUMOGUCWHNTRL-SECBINFHSA-N 0 1 345.873 3.361 20 10 EGCDMN C[C@@H]([NH2+][C@H](C)c1ccc(Cl)cc1[O-])C(=O)NCCc1ccccc1 ZINC000841758068 1321307152 /nfs/dbraw/zinc/30/71/52/1321307152.db2.gz RUVHZZANYKRBNW-ZIAGYGMSSA-N 0 1 346.858 3.444 20 10 EGCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000841763738 1321308790 /nfs/dbraw/zinc/30/87/90/1321308790.db2.gz QLKDQMOUTKNKJE-OCCSQVGLSA-N 0 1 337.435 3.237 20 10 EGCDMN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@@]1(O)CCc2ccccc21 ZINC000843421983 1321516401 /nfs/dbraw/zinc/51/64/01/1321516401.db2.gz STYIWYMYNIAWSX-SFHVURJKSA-N 0 1 335.806 3.451 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c1[O-] ZINC000848925173 1322046820 /nfs/dbraw/zinc/04/68/20/1322046820.db2.gz PPBJCOTWJMXYDV-CQSZACIVSA-N 0 1 340.807 3.487 20 10 EGCDMN CC(C)Cc1nsc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000849347321 1322115989 /nfs/dbraw/zinc/11/59/89/1322115989.db2.gz CSSGDXVACFYITG-UHFFFAOYSA-N 0 1 345.516 3.101 20 10 EGCDMN COc1cccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 ZINC000920258332 1322156142 /nfs/dbraw/zinc/15/61/42/1322156142.db2.gz MPUVTYXLBQWNHA-UHFFFAOYSA-N 0 1 325.456 3.083 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850405947 1322240784 /nfs/dbraw/zinc/24/07/84/1322240784.db2.gz LOQVCXCVUIWMEC-UHFFFAOYSA-N 0 1 346.858 3.297 20 10 EGCDMN CO[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)c(C)c2)[C@@H](C(=O)[O-])C1 ZINC000851708363 1323071207 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Cc1ccnc(N2CCN(Cc3cc(C(C)(C)C)ccc3O)CC2)n1 ZINC001233287598 1376604654 /nfs/dbraw/zinc/60/46/54/1376604654.db2.gz YYRQSYGGYGMCBJ-UHFFFAOYSA-N 0 1 340.471 3.110 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233334610 1376619067 /nfs/dbraw/zinc/61/90/67/1376619067.db2.gz NOGYELAZVHVPFP-NSHDSACASA-N 0 1 342.386 3.017 20 10 EGCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001233451921 1376649150 /nfs/dbraw/zinc/64/91/50/1376649150.db2.gz DNXANAXTHBOLKN-CQSZACIVSA-N 0 1 329.362 3.396 20 10 EGCDMN Oc1cc(O)c(CN(Cc2ccccc2)Cc2ccncc2)cc1O ZINC001233483218 1376652993 /nfs/dbraw/zinc/65/29/93/1376652993.db2.gz RASMQZBWPSCATE-UHFFFAOYSA-N 0 1 336.391 3.401 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H]3CCCO[C@@H]3C2)c1 ZINC001236662359 1376960331 /nfs/dbraw/zinc/96/03/31/1376960331.db2.gz CQSZPBLLULFEGJ-SWLSCSKDSA-N 0 1 340.261 3.464 20 10 EGCDMN CC(C)(C)OC(=O)N[C@]1(C)CCC[N@@H+](Cc2c([O-])cccc2F)C1 ZINC001137831794 1377623944 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EGCDMN COc1cccc(O[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140464668 1378067831 /nfs/dbraw/zinc/06/78/31/1378067831.db2.gz ZHSSNUQDESEGBF-OAHLLOKOSA-N 0 1 348.830 3.493 20 10 EGCDMN COc1cccc(O[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140464668 1378067833 /nfs/dbraw/zinc/06/78/33/1378067833.db2.gz ZHSSNUQDESEGBF-OAHLLOKOSA-N 0 1 348.830 3.493 20 10 EGCDMN Cc1cnc2n1CCC21CC[NH+](Cc2ccc(Cl)cc2[O-])CC1 ZINC001140467628 1378069190 /nfs/dbraw/zinc/06/91/90/1378069190.db2.gz STEUPXPHSSGXDG-UHFFFAOYSA-N 0 1 331.847 3.488 20 10 EGCDMN CC[C@H](C)N1CC[C@@]2(CCC[N@H+]2Cc2c([O-])cc(F)cc2F)C1=O ZINC001272617291 1378076720 /nfs/dbraw/zinc/07/67/20/1378076720.db2.gz WKWNVHJQZHYMBO-SGTLLEGYSA-N 0 1 338.398 3.036 20 10 EGCDMN Cc1ccc(O)c(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001140624022 1378100392 /nfs/dbraw/zinc/10/03/92/1378100392.db2.gz CGTLVEGKUCUZLW-UHFFFAOYSA-N 0 1 336.435 3.152 20 10 EGCDMN CCN(CC)c1ccc(CN2CCC[C@@H]2c2ncccn2)c(O)c1 ZINC001140857349 1378159657 /nfs/dbraw/zinc/15/96/57/1378159657.db2.gz VNYDMNDKLMJODK-QGZVFWFLSA-N 0 1 326.444 3.366 20 10 EGCDMN COc1cc(CN(C)Cc2ccc(N(C)C)cc2)cc(O)c1OC ZINC001141174302 1378259401 /nfs/dbraw/zinc/25/94/01/1378259401.db2.gz CFXWGJSDTKSXPK-UHFFFAOYSA-N 0 1 330.428 3.107 20 10 EGCDMN Cc1cccnc1N1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142521068 1378452238 /nfs/dbraw/zinc/45/22/38/1378452238.db2.gz WIZSXDFOPQAETC-UHFFFAOYSA-N 0 1 333.382 3.086 20 10 EGCDMN COCC[C@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517730 1378452336 /nfs/dbraw/zinc/45/23/36/1378452336.db2.gz YDRNQYQSUPMSTE-ACJLOTCBSA-N 0 1 341.398 3.078 20 10 EGCDMN Cc1cccnc1O[C@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530332 1378454468 /nfs/dbraw/zinc/45/44/68/1378454468.db2.gz DTWNFDDKJDZOAM-AWEZNQCLSA-N 0 1 334.366 3.417 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001144299013 1378713366 /nfs/dbraw/zinc/71/33/66/1378713366.db2.gz ORPUPNOBWXHOOH-ZUZCIYMTSA-N 0 1 344.224 3.295 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001144306501 1378714341 /nfs/dbraw/zinc/71/43/41/1378714341.db2.gz DQXQNGVHYZMLFH-CQSZACIVSA-N 0 1 330.197 3.049 20 10 EGCDMN CC[N@@H+](CCn1ccnc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144308095 1378715365 /nfs/dbraw/zinc/71/53/65/1378715365.db2.gz OMOONTGUAOLSNB-UHFFFAOYSA-N 0 1 342.212 3.012 20 10 EGCDMN Cc1cccc2ncnc(NCc3ccc(N4CCN(C)CC4)cc3)c12 ZINC001156656889 1380605365 /nfs/dbraw/zinc/60/53/65/1380605365.db2.gz ANNLJFWBDASEGA-UHFFFAOYSA-N 0 1 347.466 3.302 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@@H](C)C(=O)Nc2cccnc2C)cc1Cl ZINC001328759206 1388846906 /nfs/dbraw/zinc/84/69/06/1388846906.db2.gz NJGOMWCUVOEQCG-LBPRGKRZSA-N 0 1 333.819 3.174 20 10 EGCDMN O=C(C=Cc1ccc(O)c(O)c1)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001179687059 1386553527 /nfs/dbraw/zinc/55/35/27/1386553527.db2.gz MGJJHRQIMYBNQE-VQHVLOKHSA-N 0 1 349.390 3.063 20 10 EGCDMN CN(C)c1ccc(C=CC(=O)Nc2nc(Cl)cc3[nH]cnc32)cc1 ZINC001180123342 1386704050 /nfs/dbraw/zinc/70/40/50/1386704050.db2.gz QEFDRHJKAYLXFF-VMPITWQZSA-N 0 1 341.802 3.329 20 10 EGCDMN Cc1nc(CNCc2ccc(N3CCC(CO)CC3)cc2)sc1C ZINC001334153186 1390489888 /nfs/dbraw/zinc/48/98/88/1390489888.db2.gz DBTBEYAERKXRAD-UHFFFAOYSA-N 0 1 345.512 3.258 20 10 EGCDMN Cc1ncc(CC[NH2+]Cc2c([O-])cccc2Br)s1 ZINC001351331667 1391627835 /nfs/dbraw/zinc/62/78/35/1391627835.db2.gz ZQGWGYSSXGUCLK-UHFFFAOYSA-N 0 1 327.247 3.252 20 10 EGCDMN Cc1cc(C[NH2+][C@H](C)c2cccc(-c3nn[n-]n3)c2)ccc1N(C)C ZINC000826266816 1426487091 /nfs/dbraw/zinc/48/70/91/1426487091.db2.gz CNWKKCHPTOYCLC-CQSZACIVSA-N 0 1 336.443 3.092 20 10 EGCDMN C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cc1cc2c(cc1O)CCCC2 ZINC000825958244 1443317311 /nfs/dbraw/zinc/31/73/11/1443317311.db2.gz OTMALZWKQYIAMZ-UHFFFAOYSA-N 0 1 349.438 3.083 20 10 EGCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)c1O ZINC000317650147 950910914 /nfs/dbraw/zinc/91/09/14/950910914.db2.gz RSZYAELFRSSGID-LLVKDONJSA-N 0 1 327.808 3.131 20 10 EGCDMN COc1cc(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001594056714 958043311 /nfs/dbraw/zinc/04/33/11/958043311.db2.gz VXKMEONUWVDQJJ-JSGCOSHPSA-N 0 1 335.444 3.241 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000901828414 980548784 /nfs/dbraw/zinc/54/87/84/980548784.db2.gz PGPWOWRFSKIEIV-OAQYLSRUSA-N 0 1 338.451 3.289 20 10 EGCDMN CCCCC[C@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001595683340 982171340 /nfs/dbraw/zinc/17/13/40/982171340.db2.gz OPPHOVAVIZOCJR-LBPRGKRZSA-N 0 1 330.222 3.278 20 10 EGCDMN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1c(O)cccc1Cl ZINC001598523601 992690582 /nfs/dbraw/zinc/69/05/82/992690582.db2.gz JNABDNHXOAGKIP-UHFFFAOYSA-N 0 1 335.787 3.141 20 10 EGCDMN [O-]c1c(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)ccc2ccccc12 ZINC000816591972 1126110784 /nfs/dbraw/zinc/11/07/84/1126110784.db2.gz TTYJXOSVGGRFQL-GOSISDBHSA-N 0 1 325.383 3.378 20 10 EGCDMN COc1ccccc1C[C@@](C)(CO)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000865715726 1126115250 /nfs/dbraw/zinc/11/52/50/1126115250.db2.gz CSEBJJSVFYUCDZ-SFHVURJKSA-N 0 1 335.831 3.138 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000121204788 454406060 /nfs/dbraw/zinc/40/60/60/454406060.db2.gz AHWQSBHJNDVYIG-SNVBAGLBSA-N 0 1 336.779 3.057 20 10 EGCDMN CCOc1ccc(O)c(CN2CCN([C@H](C)c3cccnc3)CC2)c1 ZINC000093413544 454713367 /nfs/dbraw/zinc/71/33/67/454713367.db2.gz MKHGGRAFHPDDGN-MRXNPFEDSA-N 0 1 341.455 3.065 20 10 EGCDMN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179559927 455058053 /nfs/dbraw/zinc/05/80/53/455058053.db2.gz AJTVOYHMXHAIIL-CQSZACIVSA-N 0 1 345.830 3.291 20 10 EGCDMN CCN(CC)c1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1F ZINC000179912397 455098548 /nfs/dbraw/zinc/09/85/48/455098548.db2.gz WBARENNPEREWEF-UHFFFAOYSA-N 0 1 347.478 3.163 20 10 EGCDMN CCOCc1cc(CN[C@H](CO)c2ccc(F)cc2)ccc1OC ZINC000265238810 455303239 /nfs/dbraw/zinc/30/32/39/455303239.db2.gz KRZVMRWOKIESQB-GOSISDBHSA-N 0 1 333.403 3.194 20 10 EGCDMN C[C@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1[O-] ZINC000185373450 455549698 /nfs/dbraw/zinc/54/96/98/455549698.db2.gz LZGFSBXJTPCQPB-NSHDSACASA-N 0 1 336.229 3.498 20 10 EGCDMN C[C@H]([NH2+]CCCO[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000185701639 455601141 /nfs/dbraw/zinc/60/11/41/455601141.db2.gz VMPOZQRXAKNAQP-WCQYABFASA-N 0 1 344.249 3.001 20 10 EGCDMN CCN(C)c1ccc([C@H](C)NCc2cccnc2OCCOC)cc1 ZINC000268773107 455712464 /nfs/dbraw/zinc/71/24/64/455712464.db2.gz MPRQQFPJGIZKSY-INIZCTEOSA-N 0 1 343.471 3.414 20 10 EGCDMN CN(C)c1ccc(CNCc2cncc(Br)c2)cc1F ZINC000186611111 455805349 /nfs/dbraw/zinc/80/53/49/455805349.db2.gz ZWRNOFGOCAACJN-UHFFFAOYSA-N 0 1 338.224 3.339 20 10 EGCDMN CCc1nc([C@@H](C)NCc2ccc(N(C)C)cc2C(F)(F)F)n[nH]1 ZINC000279784327 455874082 /nfs/dbraw/zinc/87/40/82/455874082.db2.gz BDVQOOQTJZVDFJ-SNVBAGLBSA-N 0 1 341.381 3.303 20 10 EGCDMN Cc1ccc(O)c(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c1 ZINC000280411824 455967255 /nfs/dbraw/zinc/96/72/55/455967255.db2.gz YOPZLORIURXUCX-AWEZNQCLSA-N 0 1 341.329 3.422 20 10 EGCDMN C[C@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1O ZINC000272856728 456091545 /nfs/dbraw/zinc/09/15/45/456091545.db2.gz MDKJJBBRKLKVIF-JTQLQIEISA-N 0 1 336.317 3.305 20 10 EGCDMN C[C@H]([NH2+]CCNc1ccccn1)c1cc(Br)ccc1[O-] ZINC000273607428 456241183 /nfs/dbraw/zinc/24/11/83/456241183.db2.gz UQKPJSBFQXFGGB-NSHDSACASA-N 0 1 336.233 3.312 20 10 EGCDMN CCCCN(Cc1ccccc1O)C(=O)c1n[nH]c(CC)c1[N+](=O)[O-] ZINC000282524211 456541006 /nfs/dbraw/zinc/54/10/06/456541006.db2.gz PTBVNMOFNROMCU-UHFFFAOYSA-N 0 1 346.387 3.028 20 10 EGCDMN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000283694809 456826396 /nfs/dbraw/zinc/82/63/96/456826396.db2.gz RJGFJEOKBPULSD-MAUKXSAKSA-N 0 1 345.487 3.187 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1[O-] ZINC000363868539 457457803 /nfs/dbraw/zinc/45/78/03/457457803.db2.gz NVDIFPZFXPRYAK-GDBMZVCRSA-N 0 1 336.439 3.208 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1cn[nH]c1-c1ccccn1 ZINC000356180307 457510518 /nfs/dbraw/zinc/51/05/18/457510518.db2.gz ZRNSEUMOIULIMF-UHFFFAOYSA-N 0 1 345.406 3.202 20 10 EGCDMN 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CC(C)(O)[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000877796414 1299562908 /nfs/dbraw/zinc/56/29/08/1299562908.db2.gz GIILSWWIFOQSQU-LBPRGKRZSA-N 0 1 328.250 3.138 20 10 EGCDMN CC[N@H+](CCc1cnccn1)Cc1cc(Br)ccc1[O-] ZINC000878153550 1299783191 /nfs/dbraw/zinc/78/31/91/1299783191.db2.gz PEMMLSSYNJHKFS-UHFFFAOYSA-N 0 1 336.233 3.009 20 10 EGCDMN CC[N@@H+](CCc1cnccn1)Cc1cc(Br)ccc1[O-] ZINC000878153550 1299783200 /nfs/dbraw/zinc/78/32/00/1299783200.db2.gz PEMMLSSYNJHKFS-UHFFFAOYSA-N 0 1 336.233 3.009 20 10 EGCDMN Oc1c(Br)cc(Br)cc1CN1CC(F)C1 ZINC000753577032 1299979369 /nfs/dbraw/zinc/97/93/69/1299979369.db2.gz QSFSJIAKEABQJK-UHFFFAOYSA-N 0 1 339.002 3.071 20 10 EGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1[O-] ZINC000756382126 1300480477 /nfs/dbraw/zinc/48/04/77/1300480477.db2.gz RCPXHKBSKBQNJX-TVQRCGJNSA-N 0 1 326.190 3.132 20 10 EGCDMN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756435223 1300489274 /nfs/dbraw/zinc/48/92/74/1300489274.db2.gz XZOBDCUHWYASJB-LBPRGKRZSA-N 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CC(C)[C@@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958154 1319476987 /nfs/dbraw/zinc/47/69/87/1319476987.db2.gz IKRVQEJFSUVFNB-PELKAZGASA-N 0 1 335.673 3.442 20 10 EGCDMN COC(OC)c1ccc(F)c(CNCc2ccc3c(c2)CCO3)c1 ZINC000818191028 1319514869 /nfs/dbraw/zinc/51/48/69/1319514869.db2.gz OBJRRPLDHWNJBU-UHFFFAOYSA-N 0 1 331.387 3.342 20 10 EGCDMN COc1ccc(N2CC[C@@H](CNCc3ncc(Cl)s3)C2)cc1 ZINC000818221804 1319523050 /nfs/dbraw/zinc/52/30/50/1319523050.db2.gz NUJAVHNXJQEFRV-LBPRGKRZSA-N 0 1 337.876 3.421 20 10 EGCDMN CCN1CCN(c2ccc(CNc3ccc(Cl)nn3)cc2F)CC1 ZINC000819915731 1319801836 /nfs/dbraw/zinc/80/18/36/1319801836.db2.gz MTQNEXMIGBUOBC-UHFFFAOYSA-N 0 1 349.841 3.023 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCSC[C@H]2C2CC2)c1[O-] ZINC000824913563 1320296071 /nfs/dbraw/zinc/29/60/71/1320296071.db2.gz BCNXHTZFKWVYCN-ZDUSSCGKSA-N 0 1 328.821 3.281 20 10 EGCDMN Cc1cc(Br)cc(CN[C@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016544 1320304110 /nfs/dbraw/zinc/30/41/10/1320304110.db2.gz DQTZIOQAMZHFMX-MFKMUULPSA-N 0 1 336.233 3.455 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H](CO)c1ccccc1 ZINC000825325126 1320327464 /nfs/dbraw/zinc/32/74/64/1320327464.db2.gz APTWYCSTOSQRHB-CQSZACIVSA-N 0 1 336.229 3.020 20 10 EGCDMN C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825497225 1320342785 /nfs/dbraw/zinc/34/27/85/1320342785.db2.gz DNBKMMOIYDSVLU-RYUDHWBXSA-N 0 1 328.250 3.450 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)C3CCC3)cc2F)CC1 ZINC000837403618 1320612069 /nfs/dbraw/zinc/61/20/69/1320612069.db2.gz TVMCWKQAAHMGLS-OAHLLOKOSA-N 0 1 347.478 3.020 20 10 EGCDMN COC(=O)c1cccc2c1CCN(Cc1cc(OC)c(C)cc1O)C2 ZINC000840157352 1321040866 /nfs/dbraw/zinc/04/08/66/1321040866.db2.gz YKMCKANEMLBQDN-UHFFFAOYSA-N 0 1 341.407 3.054 20 10 EGCDMN COC1([C@H](C)NC(=O)NCc2cc(Cl)cc(Cl)c2O)CCC1 ZINC000840456130 1321094462 /nfs/dbraw/zinc/09/44/62/1321094462.db2.gz IJQWFSBBVYKPRQ-VIFPVBQESA-N 0 1 347.242 3.456 20 10 EGCDMN CC[C@H](NCc1ccccc1S(C)(=O)=O)c1ccc(C)cc1O ZINC000840866864 1321164904 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CO[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000845478925 1321711339 /nfs/dbraw/zinc/71/13/39/1321711339.db2.gz FHEHASVSUVDQMM-CHWSQXEVSA-N 0 1 347.242 3.456 20 10 EGCDMN CC(C)O[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000846015475 1321762740 /nfs/dbraw/zinc/76/27/40/1321762740.db2.gz MWDZQNZZVWJYNM-ZDUSSCGKSA-N 0 1 328.796 3.343 20 10 EGCDMN CC[C@@H]([NH2+]C[C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846097218 1321767189 /nfs/dbraw/zinc/76/71/89/1321767189.db2.gz NUQUEZQTYFBWQB-SMDDNHRTSA-N 0 1 344.377 3.320 20 10 EGCDMN CCc1cccc(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1O ZINC000848881602 1322026897 /nfs/dbraw/zinc/02/68/97/1322026897.db2.gz YYLDBKXTTJSSCF-MRXNPFEDSA-N 0 1 343.423 3.021 20 10 EGCDMN CCc1cccc(CN(CCNC(C)=O)Cc2ccsc2)c1O ZINC000848908967 1322041670 /nfs/dbraw/zinc/04/16/70/1322041670.db2.gz HBVYHGKQIBWIBW-UHFFFAOYSA-N 0 1 332.469 3.154 20 10 EGCDMN CCCn1nccc1CNCc1ccc(N2CCSCC2)cc1 ZINC000850035195 1322186621 /nfs/dbraw/zinc/18/66/21/1322186621.db2.gz 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3.142 20 10 EGCDMN CCOc1cccc(CN2CC[C@@H](OC(=O)OC(C)(C)C)C2)c1O ZINC001203602242 1370184161 /nfs/dbraw/zinc/18/41/61/1370184161.db2.gz KZMCWERJDYUCMS-CQSZACIVSA-N 0 1 337.416 3.317 20 10 EGCDMN COc1ccc(CN2CCO[C@@](C)(c3ccc(F)cc3)C2)c(O)c1 ZINC001203629192 1370192802 /nfs/dbraw/zinc/19/28/02/1370192802.db2.gz SOCBHPUAZJKTDX-LJQANCHMSA-N 0 1 331.387 3.288 20 10 EGCDMN CC(C)C(=O)N1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]21 ZINC001203659698 1370206029 /nfs/dbraw/zinc/20/60/29/1370206029.db2.gz YGQHRZPTCWXBNG-CZUORRHYSA-N 0 1 336.863 3.124 20 10 EGCDMN CC(C)C(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3[O-])CC[C@H]21 ZINC001203659698 1370206031 /nfs/dbraw/zinc/20/60/31/1370206031.db2.gz YGQHRZPTCWXBNG-CZUORRHYSA-N 0 1 336.863 3.124 20 10 EGCDMN COc1ccccc1S[C@@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203881640 1370298119 /nfs/dbraw/zinc/29/81/19/1370298119.db2.gz SASOYMFZJMIXJF-CQSZACIVSA-N 0 1 331.437 3.473 20 10 EGCDMN Oc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(O)c1 ZINC001204275327 1370429124 /nfs/dbraw/zinc/42/91/24/1370429124.db2.gz OPWYFGSAYOAKGK-UHFFFAOYSA-N 0 1 332.831 3.069 20 10 EGCDMN COc1cc(CN2CCC3(Cc4ccccc4O3)CC2)cc(O)c1O ZINC001204346327 1370449664 /nfs/dbraw/zinc/44/96/64/1370449664.db2.gz NAPKKDRJNHWAMQ-UHFFFAOYSA-N 0 1 341.407 3.076 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CCCC[C@@](F)(C[NH3+])C2)c1 ZINC001206371307 1371035995 /nfs/dbraw/zinc/03/59/95/1371035995.db2.gz SIBBIYDWCJXETK-OAHLLOKOSA-N 0 1 345.256 3.116 20 10 EGCDMN COc1ccc(N2CCN(CCc3ccc(F)cc3)CC2)c(OC)c1 ZINC001207517891 1371423689 /nfs/dbraw/zinc/42/36/89/1371423689.db2.gz HQEINWRHCQEJFN-UHFFFAOYSA-N 0 1 344.430 3.208 20 10 EGCDMN O=C(/C=C/c1nccs1)NCc1cc(Cl)cc(Cl)c1O ZINC001123826901 1372599778 /nfs/dbraw/zinc/59/97/78/1372599778.db2.gz DZVYKBYUHWGHKD-OWOJBTEDSA-N 0 1 329.208 3.485 20 10 EGCDMN COc1nc(C)ccc1-c1noc(-c2cc(O)c(O)c(Cl)c2)n1 ZINC001216977214 1373373882 /nfs/dbraw/zinc/37/38/82/1373373882.db2.gz PJYUGILIEFTCBG-UHFFFAOYSA-N 0 1 333.731 3.180 20 10 EGCDMN CC(=O)N1CC[C@@H](OC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)C1 ZINC001227488347 1375436879 /nfs/dbraw/zinc/43/68/79/1375436879.db2.gz GJGAQXDNZQSDKD-ATQAJOFPSA-N 0 1 326.356 3.202 20 10 EGCDMN O=C([O-])c1ccc(C[NH+](Cc2ccccn2)Cc2ccccn2)c(O)c1 ZINC001231445780 1376244235 /nfs/dbraw/zinc/24/42/35/1376244235.db2.gz AQNZFHQEMOXDKK-UHFFFAOYSA-N 0 1 349.390 3.083 20 10 EGCDMN COc1ccccc1[C@H]1CCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231564153 1376265124 /nfs/dbraw/zinc/26/51/24/1376265124.db2.gz IKDSZYRRQKOVOX-MRXNPFEDSA-N 0 1 327.380 3.436 20 10 EGCDMN Cc1ccc(O[C@@H]2CCC[N@@H+](Cc3cc(C(=O)[O-])ccc3O)C2)cc1 ZINC001231563799 1376265442 /nfs/dbraw/zinc/26/54/42/1376265442.db2.gz LVVKAGGROYHHLM-GOSISDBHSA-N 0 1 341.407 3.442 20 10 EGCDMN CC[C@H]1[N@H+](Cc2cc(Cl)c(C)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231866415 1376328634 /nfs/dbraw/zinc/32/86/34/1376328634.db2.gz DSDSSVPBMOPEGV-AEFFLSMTSA-N 0 1 336.863 3.377 20 10 EGCDMN CC[C@H]1[N@@H+](Cc2cc(Cl)c(C)cc2[O-])CCC[C@]12CCC(=O)N2 ZINC001231866415 1376328639 /nfs/dbraw/zinc/32/86/39/1376328639.db2.gz DSDSSVPBMOPEGV-AEFFLSMTSA-N 0 1 336.863 3.377 20 10 EGCDMN CCOC(=O)C1(F)CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC001231869103 1376332312 /nfs/dbraw/zinc/33/23/12/1376332312.db2.gz ILZVMGUNZHHOBD-UHFFFAOYSA-N 0 1 329.799 3.221 20 10 EGCDMN Cc1cccc(N2CCC[N@@H+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC001231912784 1376349020 /nfs/dbraw/zinc/34/90/20/1376349020.db2.gz ZMFGYGBMKGNAIX-UHFFFAOYSA-N 0 1 331.847 3.461 20 10 EGCDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])C[C@H]1c1ccccc1 ZINC001231914156 1376349511 /nfs/dbraw/zinc/34/95/11/1376349511.db2.gz ZCRGMKYCAFWFMZ-HOTGVXAUSA-N 0 1 345.826 3.434 20 10 EGCDMN CCOC(=O)[C@H]1CCCC[N@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269382 1376426805 /nfs/dbraw/zinc/42/68/05/1376426805.db2.gz XVHRUTLFRCADEH-LBPRGKRZSA-N 0 1 341.835 3.219 20 10 EGCDMN CCOC(=O)[C@H]1CCCC[N@@H+](Cc2cc(Cl)c(OC)cc2[O-])C1 ZINC001232269382 1376426810 /nfs/dbraw/zinc/42/68/10/1376426810.db2.gz XVHRUTLFRCADEH-LBPRGKRZSA-N 0 1 341.835 3.219 20 10 EGCDMN 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/nfs/dbraw/zinc/62/85/60/1377628560.db2.gz OFBCPWOZLCPUBS-UHFFFAOYSA-N 0 1 326.412 3.220 20 10 EGCDMN C[C@H]1CCN(C(=O)OC(C)(C)C)CC[N@H+]1Cc1cccc(F)c1[O-] ZINC001138122663 1377679933 /nfs/dbraw/zinc/67/99/33/1377679933.db2.gz SOPOOMHELABUEE-ZDUSSCGKSA-N 0 1 338.423 3.363 20 10 EGCDMN O=C1c2ccccc2CN1[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138130811 1377682215 /nfs/dbraw/zinc/68/22/15/1377682215.db2.gz IIWIFJWODMXYCQ-MRXNPFEDSA-N 0 1 340.398 3.152 20 10 EGCDMN CC[N@@H+](CCN(C)C(=O)OC(C)(C)C)Cc1cccc(F)c1[O-] ZINC001138129760 1377683090 /nfs/dbraw/zinc/68/30/90/1377683090.db2.gz VEIZTBWBUJKBOL-UHFFFAOYSA-N 0 1 326.412 3.220 20 10 EGCDMN C[C@@H]1c2cccn2CCN1Cc1cc2c3c(c1O)CCCN3CCC2 ZINC001138340280 1377705606 /nfs/dbraw/zinc/70/56/06/1377705606.db2.gz SBVYDXYCALNKMU-OAHLLOKOSA-N 0 1 337.467 3.469 20 10 EGCDMN CCOc1ccc(N2CCN(Cc3cnc4[nH]ccc4c3)CC2)cc1 ZINC001138740419 1377777391 /nfs/dbraw/zinc/77/73/91/1377777391.db2.gz VZBPZPXEFQSHAP-UHFFFAOYSA-N 0 1 336.439 3.284 20 10 EGCDMN CCC(=O)Oc1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001138965637 1377810397 /nfs/dbraw/zinc/81/03/97/1377810397.db2.gz YIQQIBDLCISGJM-UHFFFAOYSA-N 0 1 341.407 3.362 20 10 EGCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])[C@H]1c1ccccc1 ZINC001139681469 1377932856 /nfs/dbraw/zinc/93/28/56/1377932856.db2.gz RLVRAOHMCZTTGY-DYVFJYSZSA-N 0 1 347.361 3.407 20 10 EGCDMN CC(C)(C)OC(=O)O[C@@H]1CC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685857 1377933896 /nfs/dbraw/zinc/93/38/96/1377933896.db2.gz ZBPSIWSKKATXHC-SNVBAGLBSA-N 0 1 329.343 3.196 20 10 EGCDMN CC(C)(C)OC(=O)O[C@@H]1CC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139685857 1377933899 /nfs/dbraw/zinc/93/38/99/1377933899.db2.gz ZBPSIWSKKATXHC-SNVBAGLBSA-N 0 1 329.343 3.196 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CCN2CCc3ccccc3[C@@H]2C1 ZINC001139686093 1377934433 /nfs/dbraw/zinc/93/44/33/1377934433.db2.gz NCZDLSSAHVCLRZ-SFHVURJKSA-N 0 1 330.378 3.085 20 10 EGCDMN CC(C)(C)OC(=O)NC1CC2(C1)CN(Cc1cc(F)ccc1O)C2 ZINC001140055394 1377996736 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1378050937 /nfs/dbraw/zinc/05/09/37/1378050937.db2.gz BNEABUOGDUUPAL-KDOFPFPSSA-N 0 1 337.847 3.206 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001140343978 1378050941 /nfs/dbraw/zinc/05/09/41/1378050941.db2.gz BNEABUOGDUUPAL-KDOFPFPSSA-N 0 1 337.847 3.206 20 10 EGCDMN [O-]c1cc(F)cc(F)c1CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC001140583531 1378090521 /nfs/dbraw/zinc/09/05/21/1378090521.db2.gz KBRPNTKUXOWREF-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001140583531 1378090522 /nfs/dbraw/zinc/09/05/22/1378090522.db2.gz KBRPNTKUXOWREF-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC001140583531 1378090524 /nfs/dbraw/zinc/09/05/24/1378090524.db2.gz KBRPNTKUXOWREF-KXBFYZLASA-N 0 1 344.405 3.377 20 10 EGCDMN COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@@H]1c1ccccc1 ZINC001140585315 1378090576 /nfs/dbraw/zinc/09/05/76/1378090576.db2.gz 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/nfs/dbraw/zinc/21/18/88/1378211888.db2.gz VNNGKODUFKWFCL-UHFFFAOYSA-N 0 1 331.412 3.093 20 10 EGCDMN C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])[C@@H]1CO ZINC001141367459 1378311436 /nfs/dbraw/zinc/31/14/36/1378311436.db2.gz AYGVAJCBHGOXMP-TVQRCGJNSA-N 0 1 348.668 3.401 20 10 EGCDMN Oc1c(Br)cc(Cl)cc1CN1CCn2nccc2C1 ZINC001141374387 1378312812 /nfs/dbraw/zinc/31/28/12/1378312812.db2.gz HCPJETPGAQRQAH-UHFFFAOYSA-N 0 1 342.624 3.020 20 10 EGCDMN CCN(Cc1cnn(C(=O)OC(C)(C)C)c1)Cc1ccccc1O ZINC001142801311 1378489155 /nfs/dbraw/zinc/48/91/55/1378489155.db2.gz IEPZASMYOQYSBC-UHFFFAOYSA-N 0 1 331.416 3.394 20 10 EGCDMN CN(Cc1cscn1)Cc1cc(Br)c(F)cc1O ZINC001144306502 1378714264 /nfs/dbraw/zinc/71/42/64/1378714264.db2.gz DSQPKEIHLLZIPM-UHFFFAOYSA-N 0 1 331.210 3.382 20 10 EGCDMN O=C(CNc1ccc(F)c(CN2CCCC2)c1)c1ccc(O)c(O)c1 ZINC001170320808 1384290723 /nfs/dbraw/zinc/29/07/23/1384290723.db2.gz OWIUMDWOBCMGLF-UHFFFAOYSA-N 0 1 344.386 3.128 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)c2nnc[nH]2)c1 ZINC001319885383 1386360218 /nfs/dbraw/zinc/36/02/18/1386360218.db2.gz SJJZNLKYXKCTSH-GFCCVEGCSA-N 0 1 343.818 3.357 20 10 EGCDMN Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001337871553 1389465331 /nfs/dbraw/zinc/46/53/31/1389465331.db2.gz LYBMMGWCKASCIN-LBPRGKRZSA-N 0 1 337.826 3.373 20 10 EGCDMN C[N@H+](Cc1cc(Br)cc(F)c1[O-])CC1=CCCOC1 ZINC001333718805 1390382708 /nfs/dbraw/zinc/38/27/08/1390382708.db2.gz KNBZEOCZVGLCHN-UHFFFAOYSA-N 0 1 330.197 3.072 20 10 EGCDMN CCN(C)c1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821164502 1425149922 /nfs/dbraw/zinc/14/99/22/1425149922.db2.gz FIZIDSJAJDEBHB-AWEZNQCLSA-N 0 1 336.443 3.174 20 10 EGCDMN COc1cc(Cl)cc(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c1O ZINC000322716463 970921252 /nfs/dbraw/zinc/92/12/52/970921252.db2.gz UQLPNVMRMXSLPE-UHFFFAOYSA-N 0 1 335.787 3.384 20 10 EGCDMN C[C@H](C(=O)[O-])[N@@H+](Cc1ccc(OCc2ccccc2)cc1O)C1CC1 ZINC001602821791 971630234 /nfs/dbraw/zinc/63/02/34/971630234.db2.gz RDMPKWMBGSOEPP-CQSZACIVSA-N 0 1 341.407 3.409 20 10 EGCDMN CCN(C)c1ccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC001589714856 950364886 /nfs/dbraw/zinc/36/48/86/950364886.db2.gz GVKKPUZNJZASSD-VQTJNVASSA-N 0 1 338.451 3.443 20 10 EGCDMN CC(C)C[N@@H+](CC(=O)[O-])Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000901590447 980396002 /nfs/dbraw/zinc/39/60/02/980396002.db2.gz MEURIZIKPVBVIU-UHFFFAOYSA-N 0 1 332.366 3.314 20 10 EGCDMN CCCCC[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001595683339 982170262 /nfs/dbraw/zinc/17/02/62/982170262.db2.gz OPPHOVAVIZOCJR-GFCCVEGCSA-N 0 1 330.222 3.278 20 10 EGCDMN CN(C)c1cc(F)c(C[N@@H+](C)[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC001598305778 991261398 /nfs/dbraw/zinc/26/13/98/991261398.db2.gz NLIMMYYGZZDLQD-KRWDZBQOSA-N 0 1 334.366 3.289 20 10 EGCDMN CN(CC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O)c1ccccc1 ZINC001598487151 992220743 /nfs/dbraw/zinc/22/07/43/992220743.db2.gz AYTLLOSXZCRCJT-UHFFFAOYSA-N 0 1 348.830 3.069 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377249554 458494419 /nfs/dbraw/zinc/49/44/19/458494419.db2.gz KTNNPQKMHGSBAM-CYBMUJFWSA-N 0 1 340.261 3.403 20 10 EGCDMN CC(C)(C)C(=O)N1CCN(Cc2c(O)ccc3ccccc32)CC1 ZINC000075582599 453907648 /nfs/dbraw/zinc/90/76/48/453907648.db2.gz NYCHDPSJFBKMKU-UHFFFAOYSA-N 0 1 326.440 3.236 20 10 EGCDMN O=C(C[N@H+](Cc1ccccc1O)C1CCCC1)NCc1ccco1 ZINC000069659637 454129845 /nfs/dbraw/zinc/12/98/45/454129845.db2.gz XEQIMFCHXAAAFD-UHFFFAOYSA-N 0 1 328.412 3.046 20 10 EGCDMN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000120023783 454248854 /nfs/dbraw/zinc/24/88/54/454248854.db2.gz ZNWRCXGODNYKDA-LBPRGKRZSA-N 0 1 348.830 3.021 20 10 EGCDMN C[N@@H+](Cc1ccccc1O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000111234986 454858810 /nfs/dbraw/zinc/85/88/10/454858810.db2.gz DLPRJIKUSVITEF-INIZCTEOSA-N 0 1 330.815 3.283 20 10 EGCDMN COc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)c(OC)c1OC ZINC000113324268 454923402 /nfs/dbraw/zinc/92/34/02/454923402.db2.gz RZTBXJYLTHLIFA-UHFFFAOYSA-N 0 1 337.803 3.361 20 10 EGCDMN COc1ccc(CNCc2c(O)cccc2Cl)c(OC)c1OC ZINC000113324268 454923405 /nfs/dbraw/zinc/92/34/05/454923405.db2.gz RZTBXJYLTHLIFA-UHFFFAOYSA-N 0 1 337.803 3.361 20 10 EGCDMN C[C@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1cncs1 ZINC000151571136 455002840 /nfs/dbraw/zinc/00/28/40/455002840.db2.gz CQSQKCLDYFIIKT-AWEZNQCLSA-N 0 1 331.485 3.203 20 10 EGCDMN O=C(c1cccs1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179594566 455060924 /nfs/dbraw/zinc/06/09/24/455060924.db2.gz KXJOVEVKXXTFSL-UHFFFAOYSA-N 0 1 336.844 3.065 20 10 EGCDMN COc1ccc(O)c(CNC(C)(C)c2cn(-c3ccccc3)nn2)c1 ZINC000182647055 455560120 /nfs/dbraw/zinc/56/01/20/455560120.db2.gz IAKWIIVXJVJNTR-UHFFFAOYSA-N 0 1 338.411 3.006 20 10 EGCDMN O=C(c1c(O)cccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000185472094 455563090 /nfs/dbraw/zinc/56/30/90/455563090.db2.gz HKJBSWYJVIAQDF-CQSZACIVSA-N 0 1 345.370 3.058 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000192520102 455635373 /nfs/dbraw/zinc/63/53/73/455635373.db2.gz NVTBJLGXKSJAIF-HXUWFJFHSA-N 0 1 325.456 3.023 20 10 EGCDMN C[C@H]([NH2+]CC(=O)NCCc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000186307329 455739606 /nfs/dbraw/zinc/73/96/06/455739606.db2.gz LUPXINBOWAZVLM-ZDUSSCGKSA-N 0 1 332.831 3.055 20 10 EGCDMN Cc1cc(O)c(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1C ZINC000292892372 455766063 /nfs/dbraw/zinc/76/60/63/455766063.db2.gz ZDEJDBGIKTXHNK-UHFFFAOYSA-N 0 1 342.414 3.412 20 10 EGCDMN COc1ccncc1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000294398291 455814657 /nfs/dbraw/zinc/81/46/57/455814657.db2.gz SIRNMYTXIUOISR-SNVBAGLBSA-N 0 1 337.217 3.409 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)c1[O-] ZINC000279271965 455861706 /nfs/dbraw/zinc/86/17/06/455861706.db2.gz NLEJLZGMUSKBSG-ZTFGCOKTSA-N 0 1 333.403 3.171 20 10 EGCDMN COc1c(O)cccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272332595 455916759 /nfs/dbraw/zinc/91/67/59/455916759.db2.gz WVAHEFBYGNGEQO-QGZVFWFLSA-N 0 1 343.423 3.288 20 10 EGCDMN COc1cc(C)nc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000270355513 455937265 /nfs/dbraw/zinc/93/72/65/455937265.db2.gz WXEGTMPRRCYTPZ-SFHVURJKSA-N 0 1 342.439 3.285 20 10 EGCDMN C[C@@H](NCc1nnc2ccc(C(F)(F)F)cn21)c1ccccc1O ZINC000272856730 456092080 /nfs/dbraw/zinc/09/20/80/456092080.db2.gz MDKJJBBRKLKVIF-SNVBAGLBSA-N 0 1 336.317 3.305 20 10 EGCDMN CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000274273932 456253574 /nfs/dbraw/zinc/25/35/74/456253574.db2.gz XAZNSACKIUZCNH-BEMMVCDISA-N 0 1 325.836 3.423 20 10 EGCDMN c1nnc([C@@H](NCc2ccc(N3CCCC3)cc2)c2ccccc2)[nH]1 ZINC000274880311 456267264 /nfs/dbraw/zinc/26/72/64/456267264.db2.gz ZAEAYFYTIOGJJJ-IBGZPJMESA-N 0 1 333.439 3.284 20 10 EGCDMN FC(F)(F)COc1cnccc1CNCc1ccc2c(c1)CCO2 ZINC000282355633 456487323 /nfs/dbraw/zinc/48/73/23/456487323.db2.gz VUNCWTSSEBJOJV-UHFFFAOYSA-N 0 1 338.329 3.247 20 10 EGCDMN CCN(Cc1ccnn1CCCOC)Cc1ccc(N(C)C)cc1 ZINC000282831553 456638990 /nfs/dbraw/zinc/63/89/90/456638990.db2.gz QNJWFKKGPILQEW-UHFFFAOYSA-N 0 1 330.476 3.008 20 10 EGCDMN CCCCN(Cc1cn(C)nc1C(=O)OCC)Cc1ccccc1O ZINC000283097376 456711391 /nfs/dbraw/zinc/71/13/91/456711391.db2.gz SPTRXMMUHFZWMY-UHFFFAOYSA-N 0 1 345.443 3.105 20 10 EGCDMN Cc1cc[nH]c1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000373898428 457389366 /nfs/dbraw/zinc/38/93/66/457389366.db2.gz FSSDQOUIORCYJA-HNNXBMFYSA-N 0 1 347.846 3.077 20 10 EGCDMN C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1[O-] ZINC000363865377 457458127 /nfs/dbraw/zinc/45/81/27/457458127.db2.gz NBGPOGGJQYFIPQ-GFCCVEGCSA-N 0 1 328.803 3.477 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1)c1ccc2ccccc2c1[O-] ZINC000363868540 457458779 /nfs/dbraw/zinc/45/87/79/457458779.db2.gz NVDIFPZFXPRYAK-GOEBONIOSA-N 0 1 336.439 3.208 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c1[O-] ZINC000370724564 457707827 /nfs/dbraw/zinc/70/78/27/457707827.db2.gz YXBLFNCOJYUIDY-GFCCVEGCSA-N 0 1 340.807 3.202 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000377249554 458494415 /nfs/dbraw/zinc/49/44/15/458494415.db2.gz KTNNPQKMHGSBAM-CYBMUJFWSA-N 0 1 340.261 3.403 20 10 EGCDMN COc1ccc([C@H]([NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])C2CC2)cn1 ZINC000528849612 459815090 /nfs/dbraw/zinc/81/50/90/459815090.db2.gz RQKJEXDVAKDNIV-GOSISDBHSA-N 0 1 344.386 3.378 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN(C)CC1)c1cc(Br)ccc1[O-] ZINC000037267117 522808851 /nfs/dbraw/zinc/80/88/51/522808851.db2.gz BNFPSOPGOOMNSY-CQSZACIVSA-N 0 1 327.266 3.290 20 10 EGCDMN CN(C)c1ccc(CN2CCC3(CC2)OCCO3)c(C(F)(F)F)c1 ZINC000279719084 547367460 /nfs/dbraw/zinc/36/74/60/547367460.db2.gz UPWAWWGYIFBDIV-UHFFFAOYSA-N 0 1 344.377 3.110 20 10 EGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000726876362 574574952 /nfs/dbraw/zinc/57/49/52/574574952.db2.gz PCGXTRWABKVHGP-UVTDQMKNSA-N 0 1 332.281 3.167 20 10 EGCDMN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN3C)cc2)CC1 ZINC000732290758 575255940 /nfs/dbraw/zinc/25/59/40/575255940.db2.gz ZVZZMIXJEIGERT-LJQANCHMSA-N 0 1 329.488 3.023 20 10 EGCDMN CCN(CC)[C@@H]1CC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829666917 600718097 /nfs/dbraw/zinc/71/80/97/600718097.db2.gz WLKLFOAQHBSSER-OAHLLOKOSA-N 0 1 342.439 3.160 20 10 EGCDMN CC[NH+](CC)[C@@H]1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000829666917 600718100 /nfs/dbraw/zinc/71/81/00/600718100.db2.gz WLKLFOAQHBSSER-OAHLLOKOSA-N 0 1 342.439 3.160 20 10 EGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)c1O ZINC000833308351 601636861 /nfs/dbraw/zinc/63/68/61/601636861.db2.gz RIBNPHACMUGZNA-KDOFPFPSSA-N 0 1 341.407 3.245 20 10 EGCDMN COc1cccc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])c1O ZINC000833735097 604538581 /nfs/dbraw/zinc/53/85/81/604538581.db2.gz FDBYRRUMCSPLFM-AWEZNQCLSA-N 0 1 329.396 3.124 20 10 EGCDMN CCc1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[O-])o1 ZINC000691442460 1298133542 /nfs/dbraw/zinc/13/35/42/1298133542.db2.gz FDTJISHDOUUWIK-UHFFFAOYSA-N 0 1 325.206 3.303 20 10 EGCDMN CCOc1ccc2c(c1)CN(Cc1cc3c(cc1O)OCO3)CC2 ZINC000058207256 1291882458 /nfs/dbraw/zinc/88/24/58/1291882458.db2.gz TUFFOMWHYXSQRW-UHFFFAOYSA-N 0 1 327.380 3.078 20 10 EGCDMN C[C@H]1SCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000827649810 1292350672 /nfs/dbraw/zinc/35/06/72/1292350672.db2.gz LBUJYYMZUQZAOO-HQJQHLMTSA-N 0 1 335.256 3.392 20 10 EGCDMN COc1cc(Cl)cc(CN[C@@H](CO)c2ccc(F)cc2F)c1O ZINC000827714280 1292358429 /nfs/dbraw/zinc/35/84/29/1292358429.db2.gz AZMIAYFGBIOACZ-AWEZNQCLSA-N 0 1 343.757 3.156 20 10 EGCDMN CC(C)CO[C@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091964262 1292851238 /nfs/dbraw/zinc/85/12/38/1292851238.db2.gz XUZPDFQEHSDNNZ-ZDUSSCGKSA-N 0 1 328.796 3.201 20 10 EGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000091964261 1292851493 /nfs/dbraw/zinc/85/14/93/1292851493.db2.gz XUZPDFQEHSDNNZ-CYBMUJFWSA-N 0 1 328.796 3.201 20 10 EGCDMN C[C@@H](NCc1cccnc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000105423897 1293034439 /nfs/dbraw/zinc/03/44/39/1293034439.db2.gz CBUOCZXJSBDOQC-CQSZACIVSA-N 0 1 331.847 3.422 20 10 EGCDMN CC1CCN(c2ccc(CNC(=O)c3ccc4[nH]nnc4c3)cc2)CC1 ZINC000108294963 1293078750 /nfs/dbraw/zinc/07/87/50/1293078750.db2.gz XLKBXMDNZVABDY-UHFFFAOYSA-N 0 1 349.438 3.124 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Cl)ccc1[O-] ZINC000834900097 1293169443 /nfs/dbraw/zinc/16/94/43/1293169443.db2.gz SVRRQFMZFJNJAJ-XTQGRXLLSA-N 0 1 335.835 3.350 20 10 EGCDMN Cc1csc(C(C)(C)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000116382899 1293204718 /nfs/dbraw/zinc/20/47/18/1293204718.db2.gz MBUGDHSFKAJHAP-UHFFFAOYSA-N 0 1 331.485 3.313 20 10 EGCDMN CC1CCN(c2cccc(NS(=O)(=O)c3cccnc3)c2)CC1 ZINC000125517219 1293509599 /nfs/dbraw/zinc/50/95/99/1293509599.db2.gz NEZOUITZKRQTPF-UHFFFAOYSA-N 0 1 331.441 3.119 20 10 EGCDMN CCC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccccc1O ZINC000130736855 1293666644 /nfs/dbraw/zinc/66/66/44/1293666644.db2.gz HHXRXXWFFWLQMS-UHFFFAOYSA-N 0 1 333.819 3.291 20 10 EGCDMN CCCN(CC(=O)Nc1ccc(Cl)cn1)Cc1ccccc1O ZINC000130736855 1293666648 /nfs/dbraw/zinc/66/66/48/1293666648.db2.gz HHXRXXWFFWLQMS-UHFFFAOYSA-N 0 1 333.819 3.291 20 10 EGCDMN CCN(CC)c1ccc(CNCc2cccnc2N(C)C)cc1F ZINC000152064869 1293952035 /nfs/dbraw/zinc/95/20/35/1293952035.db2.gz GGZNLSBWABGSFM-UHFFFAOYSA-N 0 1 330.451 3.423 20 10 EGCDMN CCN(CC)c1ccc(CN[C@H](C)C(=O)NCc2ccco2)cc1F ZINC000152222223 1293959668 /nfs/dbraw/zinc/95/96/68/1293959668.db2.gz HTDSWLCQGBEPRG-CQSZACIVSA-N 0 1 347.434 3.059 20 10 EGCDMN CC[C@](C)(NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000152612885 1293977139 /nfs/dbraw/zinc/97/71/39/1293977139.db2.gz OZBHDSNBMAYNED-SFHVURJKSA-N 0 1 331.485 3.395 20 10 EGCDMN C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093275 1294126805 /nfs/dbraw/zinc/12/68/05/1294126805.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 0 1 339.277 3.071 20 10 EGCDMN C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(Br)c3[O-])CC[C@@H]21 ZINC000156093275 1294126809 /nfs/dbraw/zinc/12/68/09/1294126809.db2.gz MLYBDRGLZBETHT-WFASDCNBSA-N 0 1 339.277 3.071 20 10 EGCDMN CC(C)[C@H](CNC(=O)CN(C)Cc1ccccc1O)c1ccccc1 ZINC000171936725 1294423134 /nfs/dbraw/zinc/42/31/34/1294423134.db2.gz LXHXHIGIMIYAGF-IBGZPJMESA-N 0 1 340.467 3.380 20 10 EGCDMN CCOc1cccc(CN2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181923024 1295006354 /nfs/dbraw/zinc/00/63/54/1295006354.db2.gz IMPMDPXLOJJRNN-SFHVURJKSA-N 0 1 327.424 3.234 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 ZINC000194648640 1295997102 /nfs/dbraw/zinc/99/71/02/1295997102.db2.gz MIMJMYGXIGGBST-UHFFFAOYSA-N 0 1 349.434 3.304 20 10 EGCDMN C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000245551813 1296313885 /nfs/dbraw/zinc/31/38/85/1296313885.db2.gz BYLODJXWATVPLP-JKIFEVAISA-N 0 1 338.879 3.119 20 10 EGCDMN C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000245551813 1296313902 /nfs/dbraw/zinc/31/39/02/1296313902.db2.gz BYLODJXWATVPLP-JKIFEVAISA-N 0 1 338.879 3.119 20 10 EGCDMN COc1ccccc1N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000322014601 1297186931 /nfs/dbraw/zinc/18/69/31/1297186931.db2.gz IMOIZRVBLJCLHI-UHFFFAOYSA-N 0 1 332.831 3.376 20 10 EGCDMN Oc1c(Cl)cc(Cl)cc1CNc1ccc(-n2cnnn2)cc1 ZINC000393468942 1297668540 /nfs/dbraw/zinc/66/85/40/1297668540.db2.gz YMXIJCNDGJSYSW-UHFFFAOYSA-N 0 1 336.182 3.287 20 10 EGCDMN [O-]c1cccc(Br)c1CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000707158320 1298225447 /nfs/dbraw/zinc/22/54/47/1298225447.db2.gz ZGZAUYMMFINASK-ZDUSSCGKSA-N 0 1 339.277 3.215 20 10 EGCDMN C[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])CC1(C)OCCO1 ZINC000715966173 1298291328 /nfs/dbraw/zinc/29/13/28/1298291328.db2.gz MNXQVZBKJBICIN-LLVKDONJSA-N 0 1 344.249 3.034 20 10 EGCDMN COc1ccc(CN[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1C ZINC000725842712 1298372256 /nfs/dbraw/zinc/37/22/56/1298372256.db2.gz MMNWBJWWJQGQIW-HZPDHXFCSA-N 0 1 338.451 3.460 20 10 EGCDMN OC1CCN(c2ccc(CN3CCc4sccc4C3)cc2)CC1 ZINC000876559447 1298827780 /nfs/dbraw/zinc/82/77/80/1298827780.db2.gz ZHBRYYBVLQYMJF-UHFFFAOYSA-N 0 1 328.481 3.268 20 10 EGCDMN Cc1ccc([C@@H](NCc2ccc(C)cc2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000877496241 1299346701 /nfs/dbraw/zinc/34/67/01/1299346701.db2.gz OHNWXCKJTNAJJO-BEFAXECRSA-N 0 1 347.480 3.273 20 10 EGCDMN Cc1ccc([C@@H](NCc2ccc(C)cc2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000877496244 1299349233 /nfs/dbraw/zinc/34/92/33/1299349233.db2.gz OHNWXCKJTNAJJO-KXBFYZLASA-N 0 1 347.480 3.273 20 10 EGCDMN CC[C@@H](C)c1nc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000752925543 1299821453 /nfs/dbraw/zinc/82/14/53/1299821453.db2.gz LUKKLOFADGBJKG-HUUCEWRRSA-N 0 1 343.475 3.006 20 10 EGCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCSC1 ZINC000755789047 1300396580 /nfs/dbraw/zinc/39/65/80/1300396580.db2.gz ICYLYNFNWMJJPM-CQSZACIVSA-N 0 1 343.448 3.266 20 10 EGCDMN Cc1cc(N(C)C)ccc1CNC(=O)c1sccc1CN(C)C ZINC000756097242 1300438563 /nfs/dbraw/zinc/43/85/63/1300438563.db2.gz UHIRVKBKSDCPOE-UHFFFAOYSA-N 0 1 331.485 3.114 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccc(Br)cc1[O-] ZINC000756432908 1300489402 /nfs/dbraw/zinc/48/94/02/1300489402.db2.gz LPUXONORCFQFQP-QMTHXVAHSA-N 0 1 327.266 3.146 20 10 EGCDMN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756505992 1300509170 /nfs/dbraw/zinc/50/91/70/1300509170.db2.gz ZJQGSLZVJWNXMR-UWVGGRQHSA-N 0 1 333.245 3.285 20 10 EGCDMN C[C@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1[O-] ZINC000756571797 1300523936 /nfs/dbraw/zinc/52/39/36/1300523936.db2.gz FOIRYDHZTIYTLP-XJKSGUPXSA-N 0 1 338.879 3.340 20 10 EGCDMN C[C@H]([NH2+]CCOc1cccnc1)c1ccc(Br)cc1[O-] ZINC000756571623 1300524083 /nfs/dbraw/zinc/52/40/83/1300524083.db2.gz HNILJNBTCFSGRH-NSHDSACASA-N 0 1 337.217 3.279 20 10 EGCDMN CO[C@@H](C[NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(F)(F)F ZINC000756836584 1300573428 /nfs/dbraw/zinc/57/34/28/1300573428.db2.gz XIAFPNIIYUCCBK-CPCISQLKSA-N 0 1 342.155 3.383 20 10 EGCDMN CCS(=O)(=O)c1ccc([C@@H](C)NCc2ccc3c(c2)CCO3)cc1 ZINC000756928315 1300591234 /nfs/dbraw/zinc/59/12/34/1300591234.db2.gz VFICGVREIFQZNW-CQSZACIVSA-N 0 1 345.464 3.266 20 10 EGCDMN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N[C@H](C)c2ccccc2O)c1C ZINC000879648647 1300649109 /nfs/dbraw/zinc/64/91/09/1300649109.db2.gz XMJLZXZOCHNQED-YPMHNXCESA-N 0 1 328.412 3.462 20 10 EGCDMN OC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(C(F)(F)F)cc1 ZINC000758634566 1300927465 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LCCCHFLZYBHTDG-MRXNPFEDSA-N 0 1 331.412 3.196 20 10 EGCDMN Cc1cc(CN2CCO[C@H]3[C@H](OCC4CC4)CC[C@@H]32)ccc1N(C)C ZINC001139670841 1377930918 /nfs/dbraw/zinc/93/09/18/1377930918.db2.gz BBEAHNQHBNIWTP-PWRODBHTSA-N 0 1 344.499 3.219 20 10 EGCDMN CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684229 1377933550 /nfs/dbraw/zinc/93/35/50/1377933550.db2.gz RYAXBNZCDXOYBT-NSHDSACASA-N 0 1 327.371 3.224 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[NH+]1CCN(c2noc3ccccc32)CC1 ZINC001139685646 1377933814 /nfs/dbraw/zinc/93/38/14/1377933814.db2.gz RHLKSRKMIWWKFZ-UHFFFAOYSA-N 0 1 345.349 3.134 20 10 EGCDMN O=C(Nc1ccccc1)[C@@H]1CCC[N@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139687467 1377934848 /nfs/dbraw/zinc/93/48/48/1377934848.db2.gz MPOQDUOZOVQKBG-INIZCTEOSA-N 0 1 332.350 3.274 20 10 EGCDMN O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1Cc1c(F)ccc(F)c1[O-] ZINC001139687467 1377934853 /nfs/dbraw/zinc/93/48/53/1377934853.db2.gz MPOQDUOZOVQKBG-INIZCTEOSA-N 0 1 332.350 3.274 20 10 EGCDMN C[C@@H]1C[N@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(C)O ZINC001140098490 1378007286 /nfs/dbraw/zinc/00/72/86/1378007286.db2.gz BMFBQOVMMFTIRE-IAQYHMDHSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2Br)CCC[C@@]1(C)O ZINC001140098490 1378007287 /nfs/dbraw/zinc/00/72/87/1378007287.db2.gz BMFBQOVMMFTIRE-IAQYHMDHSA-N 0 1 328.250 3.138 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001140100260 1378007538 /nfs/dbraw/zinc/00/75/38/1378007538.db2.gz IFXZPJOYEKDAHO-LBPRGKRZSA-N 0 1 340.261 3.139 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140101397 1378007774 /nfs/dbraw/zinc/00/77/74/1378007774.db2.gz RKEZXPFVWAJLTI-CYBMUJFWSA-N 0 1 349.228 3.203 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC001140101397 1378007775 /nfs/dbraw/zinc/00/77/75/1378007775.db2.gz RKEZXPFVWAJLTI-CYBMUJFWSA-N 0 1 349.228 3.203 20 10 EGCDMN Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c(O)cccc4Cl)C[C@H]3O2)n1 ZINC001140338344 1378048650 /nfs/dbraw/zinc/04/86/50/1378048650.db2.gz GHJYANLPZSXFJB-KNXALSJPSA-N 0 1 349.818 3.089 20 10 EGCDMN Cc1noc([C@@H]2C[C@@H]3CC[N@H+](Cc4c([O-])cccc4Cl)C[C@H]3O2)n1 ZINC001140338344 1378048652 /nfs/dbraw/zinc/04/86/52/1378048652.db2.gz GHJYANLPZSXFJB-KNXALSJPSA-N 0 1 349.818 3.089 20 10 EGCDMN Cc1noc([C@@H]2C[C@@H]3CC[N@@H+](Cc4c([O-])cccc4Cl)C[C@H]3O2)n1 ZINC001140338344 1378048654 /nfs/dbraw/zinc/04/86/54/1378048654.db2.gz GHJYANLPZSXFJB-KNXALSJPSA-N 0 1 349.818 3.089 20 10 EGCDMN Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c(O)cccc4Cl)C[C@H]3O2)n1 ZINC001140338344 1378048655 /nfs/dbraw/zinc/04/86/55/1378048655.db2.gz GHJYANLPZSXFJB-KNXALSJPSA-N 0 1 349.818 3.089 20 10 EGCDMN CC(C)N1CC2(CC1=O)CC[NH+](Cc1c([O-])cccc1Cl)CC2 ZINC001140342535 1378049920 /nfs/dbraw/zinc/04/99/20/1378049920.db2.gz OGUTZNXOVFINGP-UHFFFAOYSA-N 0 1 336.863 3.269 20 10 EGCDMN CCN(CCNC(=O)OC(C)(C)C)Cc1c(O)cccc1Cl ZINC001140341816 1378050072 /nfs/dbraw/zinc/05/00/72/1378050072.db2.gz IREMGQKCMXBTCC-UHFFFAOYSA-N 0 1 328.840 3.392 20 10 EGCDMN CCOC(=O)C[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC001140342259 1378050080 /nfs/dbraw/zinc/05/00/80/1378050080.db2.gz AISNKSCXWSPEFL-OLZOCXBDSA-N 0 1 325.836 3.457 20 10 EGCDMN CCOC(=O)C[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C[C@H]1C ZINC001140342259 1378050084 /nfs/dbraw/zinc/05/00/84/1378050084.db2.gz AISNKSCXWSPEFL-OLZOCXBDSA-N 0 1 325.836 3.457 20 10 EGCDMN COc1cccnc1O[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140342354 1378050205 /nfs/dbraw/zinc/05/02/05/1378050205.db2.gz GAOGHMVPYMYKCE-ZDUSSCGKSA-N 0 1 348.830 3.493 20 10 EGCDMN COc1cccnc1O[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC001140342354 1378050208 /nfs/dbraw/zinc/05/02/08/1378050208.db2.gz GAOGHMVPYMYKCE-ZDUSSCGKSA-N 0 1 348.830 3.493 20 10 EGCDMN COc1ccnc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464065 1378067038 /nfs/dbraw/zinc/06/70/38/1378067038.db2.gz AQIUBLOECNRYMD-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN COc1ccnc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)c1 ZINC001140464065 1378067041 /nfs/dbraw/zinc/06/70/41/1378067041.db2.gz AQIUBLOECNRYMD-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001140467456 1378069101 /nfs/dbraw/zinc/06/91/01/1378069101.db2.gz QRTRLYAUUDIKCA-WMZOPIPTSA-N 0 1 349.862 3.001 20 10 EGCDMN CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])[C@H]1Cc1cnn(C)c1 ZINC001140467456 1378069102 /nfs/dbraw/zinc/06/91/02/1378069102.db2.gz QRTRLYAUUDIKCA-WMZOPIPTSA-N 0 1 349.862 3.001 20 10 EGCDMN [O-]c1cc(F)cc(F)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001140583528 1378090346 /nfs/dbraw/zinc/09/03/46/1378090346.db2.gz KBRPNTKUXOWREF-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001140583528 1378090347 /nfs/dbraw/zinc/09/03/47/1378090347.db2.gz KBRPNTKUXOWREF-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC001140583528 1378090348 /nfs/dbraw/zinc/09/03/48/1378090348.db2.gz KBRPNTKUXOWREF-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])cc(F)cc1F ZINC001140584043 1378090512 /nfs/dbraw/zinc/09/05/12/1378090512.db2.gz DQGBRBVAKUVWHZ-LBPRGKRZSA-N 0 1 327.371 3.367 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC001140585924 1378091630 /nfs/dbraw/zinc/09/16/30/1378091630.db2.gz WGDDVQYXUCDFGB-OKILXGFUSA-N 0 1 330.378 3.239 20 10 EGCDMN CC(C)CN1CC[C@@]2(CCC[N@@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001273266414 1378093920 /nfs/dbraw/zinc/09/39/20/1378093920.db2.gz XFRHKTNMKTYNJJ-FQEVSTJZSA-N 0 1 348.462 3.392 20 10 EGCDMN CCOC[C@@H]1CN(Cc2ccc(C)cc2O)Cc2c1cnn2CC ZINC001140952172 1378190306 /nfs/dbraw/zinc/19/03/06/1378190306.db2.gz HINVFJWXXFMTFP-INIZCTEOSA-N 0 1 329.444 3.053 20 10 EGCDMN Cc1ccc(CN2CCN(Cc3c(F)cccc3F)CC2)c(O)c1 ZINC001140957674 1378193703 /nfs/dbraw/zinc/19/37/03/1378193703.db2.gz IEEBIBHKLUQUMC-UHFFFAOYSA-N 0 1 332.394 3.297 20 10 EGCDMN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(F)c([O-])c(F)c1 ZINC001140990211 1378201599 /nfs/dbraw/zinc/20/15/99/1378201599.db2.gz PPUJSXHXPGGKNF-UHFFFAOYSA-N 0 1 348.393 3.139 20 10 EGCDMN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141367599 1378312198 /nfs/dbraw/zinc/31/21/98/1378312198.db2.gz HNPCTQGEGSPEBM-KWQFWETISA-N 0 1 334.641 3.153 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524572 1378453495 /nfs/dbraw/zinc/45/34/95/1378453495.db2.gz BLONEFKWLHRCQZ-LLVKDONJSA-N 0 1 342.386 3.017 20 10 EGCDMN Cc1cccnc1O[C@@H]1CCC[N@@H+](Cc2cc(F)c(F)cc2[O-])C1 ZINC001142530333 1378454524 /nfs/dbraw/zinc/45/45/24/1378454524.db2.gz DTWNFDDKJDZOAM-CQSZACIVSA-N 0 1 334.366 3.417 20 10 EGCDMN Oc1cc(F)c(Br)cc1CN1CC2(C1)CCCCO2 ZINC001144292482 1378710983 /nfs/dbraw/zinc/71/09/83/1378710983.db2.gz DJNSKFOVARHTQT-UHFFFAOYSA-N 0 1 330.197 3.049 20 10 EGCDMN COC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Br)c(F)cc1[O-] ZINC001144308421 1378714877 /nfs/dbraw/zinc/71/48/77/1378714877.db2.gz YJUBNMHRLMIYHS-FOSCPWQOSA-N 0 1 344.224 3.436 20 10 EGCDMN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)nc(C)c1Cl ZINC001156658592 1380605988 /nfs/dbraw/zinc/60/59/88/1380605988.db2.gz WQBVLQMVVQJWFP-UHFFFAOYSA-N 0 1 345.878 3.111 20 10 EGCDMN CN1CCN(c2ccc(CNc3nccc(-c4ccco4)n3)cc2)CC1 ZINC001167426883 1383631036 /nfs/dbraw/zinc/63/10/36/1383631036.db2.gz MWIWBZVONSTPNK-UHFFFAOYSA-N 0 1 349.438 3.101 20 10 EGCDMN COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001168242933 1383851832 /nfs/dbraw/zinc/85/18/32/1383851832.db2.gz FGWMNSDMRMQGKJ-HNNXBMFYSA-N 0 1 348.240 3.420 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC001328924646 1388903050 /nfs/dbraw/zinc/90/30/50/1388903050.db2.gz ZTKWXENQVIXEMV-ABAIWWIYSA-N 0 1 326.234 3.202 20 10 EGCDMN COC(=O)CCCC[C@@H](C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001173441383 1384970434 /nfs/dbraw/zinc/97/04/34/1384970434.db2.gz OTOPIILHZFQXJI-LLVKDONJSA-N 0 1 344.249 3.366 20 10 EGCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@@H]1CCCCN1C ZINC001178701541 1386283391 /nfs/dbraw/zinc/28/33/91/1386283391.db2.gz MPMCYGWQOADTNG-YJBOKZPZSA-N 0 1 330.472 3.233 20 10 EGCDMN CC(C)[N@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001319931853 1386399944 /nfs/dbraw/zinc/39/99/44/1386399944.db2.gz DPYHCKIUROIVLC-IBGZPJMESA-N 0 1 327.424 3.271 20 10 EGCDMN CC(C)[N@@H+](CCc1ccccc1)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC001319931853 1386399946 /nfs/dbraw/zinc/39/99/46/1386399946.db2.gz DPYHCKIUROIVLC-IBGZPJMESA-N 0 1 327.424 3.271 20 10 EGCDMN CCOC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC001329512724 1389137334 /nfs/dbraw/zinc/13/73/34/1389137334.db2.gz OBPCXBBVMBKRAE-LLVKDONJSA-N 0 1 342.233 3.072 20 10 EGCDMN CCOC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])cccc1Br ZINC001329512724 1389137336 /nfs/dbraw/zinc/13/73/36/1389137336.db2.gz OBPCXBBVMBKRAE-LLVKDONJSA-N 0 1 342.233 3.072 20 10 EGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCCC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820432333 1428130711 /nfs/dbraw/zinc/13/07/11/1428130711.db2.gz NXSJEEYPEIYONX-OAHLLOKOSA-N 0 1 348.454 3.318 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[n-]n2)cc1)c1ccc(N(C)C)cc1 ZINC000820413844 1443608046 /nfs/dbraw/zinc/60/80/46/1443608046.db2.gz WFZYDVOZWGXOKC-UONOGXRCSA-N 0 1 336.443 3.345 20 10 EGCDMN CCCC[C@H]([NH2+]Cc1cc(Br)cc(F)c1O)C(=O)[O-] ZINC001334053657 961756690 /nfs/dbraw/zinc/75/66/90/961756690.db2.gz CCWMBKSILYDOSP-NSHDSACASA-N 0 1 334.185 3.027 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[N@H+]1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000901828411 980548798 /nfs/dbraw/zinc/54/87/98/980548798.db2.gz PGPWOWRFSKIEIV-NRFANRHFSA-N 0 1 338.451 3.289 20 10 EGCDMN Cc1[nH+]c(NCc2ccc(N3CCSCC3)cc2)ccc1C(=O)[O-] ZINC000910287928 981842114 /nfs/dbraw/zinc/84/21/14/981842114.db2.gz NZORBWYLQINZDH-UHFFFAOYSA-N 0 1 343.452 3.254 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC(C)(C)O1 ZINC001594536384 986152511 /nfs/dbraw/zinc/15/25/11/986152511.db2.gz POOQGAWKOYIVOB-GFCCVEGCSA-N 0 1 329.396 3.243 20 10 EGCDMN CCc1cccc(C[N@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c1O ZINC001597587219 988409613 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/nfs/dbraw/zinc/05/03/48/1378050348.db2.gz VEVYSRNUBXYWGL-UHFFFAOYSA-N 0 1 331.847 3.461 20 10 EGCDMN COc1cccc(O[C@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140464229 1378067134 /nfs/dbraw/zinc/06/71/34/1378067134.db2.gz HPZDRDIZJJZLQX-AWEZNQCLSA-N 0 1 334.803 3.103 20 10 EGCDMN COc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)n1 ZINC001140464229 1378067141 /nfs/dbraw/zinc/06/71/41/1378067141.db2.gz HPZDRDIZJJZLQX-AWEZNQCLSA-N 0 1 334.803 3.103 20 10 EGCDMN CC(C)C(=O)N1CCC[C@@]12CC[N@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464929 1378068471 /nfs/dbraw/zinc/06/84/71/1378068471.db2.gz FDTQXTWATFSUDJ-SFHVURJKSA-N 0 1 336.863 3.269 20 10 EGCDMN CC(C)C(=O)N1CCC[C@@]12CC[N@@H+](Cc1ccc(Cl)cc1[O-])C2 ZINC001140464929 1378068473 /nfs/dbraw/zinc/06/84/73/1378068473.db2.gz FDTQXTWATFSUDJ-SFHVURJKSA-N 0 1 336.863 3.269 20 10 EGCDMN Cc1noc([C@H]2C[C@@H]3CC[N@H+](Cc4ccc(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001140466821 1378069145 /nfs/dbraw/zinc/06/91/45/1378069145.db2.gz ISHGRZYBNUVLFG-IUIKQTSFSA-N 0 1 349.818 3.089 20 10 EGCDMN Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(Cl)cc4[O-])C[C@H]3O2)n1 ZINC001140466821 1378069146 /nfs/dbraw/zinc/06/91/46/1378069146.db2.gz ISHGRZYBNUVLFG-IUIKQTSFSA-N 0 1 349.818 3.089 20 10 EGCDMN Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(Cl)cc4O)C[C@H]3O2)n1 ZINC001140466821 1378069147 /nfs/dbraw/zinc/06/91/47/1378069147.db2.gz ISHGRZYBNUVLFG-IUIKQTSFSA-N 0 1 349.818 3.089 20 10 EGCDMN CCOC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C[C@H]1C ZINC001140585627 1378090584 /nfs/dbraw/zinc/09/05/84/1378090584.db2.gz PZELMJCAEDIAEZ-VXGBXAGGSA-N 0 1 327.371 3.082 20 10 EGCDMN Cc1ccc(O)c(CN(C2CC2)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC001140623648 1378100490 /nfs/dbraw/zinc/10/04/90/1378100490.db2.gz NRSGBWJQROWALU-UHFFFAOYSA-N 0 1 332.444 3.284 20 10 EGCDMN C[C@@H]1CN(Cc2ccc(N3CCOCC3)cc2F)CCC1(F)F ZINC001140660452 1378108255 /nfs/dbraw/zinc/10/82/55/1378108255.db2.gz SAIMWYUGSHRWOR-CYBMUJFWSA-N 0 1 328.378 3.139 20 10 EGCDMN CCN(CC)c1ccc(CN(CC(=O)OC)C2CCCC2)c(O)c1 ZINC001140855884 1378159482 /nfs/dbraw/zinc/15/94/82/1378159482.db2.gz MZMJRCYULPNJIS-UHFFFAOYSA-N 0 1 334.460 3.156 20 10 EGCDMN CCC(=O)N(C)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140925919 1378183549 /nfs/dbraw/zinc/18/35/49/1378183549.db2.gz HNRSYTDZUKQHMZ-UHFFFAOYSA-N 0 1 337.895 3.239 20 10 EGCDMN CCOC[C@@H]1CN(Cc2ccc(C)cc2O)Cc2cn(CC)nc21 ZINC001140950531 1378189930 /nfs/dbraw/zinc/18/99/30/1378189930.db2.gz XLXVJMZHBMZNON-KRWDZBQOSA-N 0 1 329.444 3.053 20 10 EGCDMN COc1cc(O)c(CN2CC[C@@H]2COCc2ccccc2)c(OC)c1 ZINC001141028493 1378212662 /nfs/dbraw/zinc/21/26/62/1378212662.db2.gz QRYDXRXWHHVVFU-MRXNPFEDSA-N 0 1 343.423 3.201 20 10 EGCDMN CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2Cc2cc(O)ccc2O)C1 ZINC001141156596 1378253099 /nfs/dbraw/zinc/25/30/99/1378253099.db2.gz OFJJCODYHJCLIF-LJQANCHMSA-N 0 1 348.443 3.073 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC001144306468 1378714114 /nfs/dbraw/zinc/71/41/14/1378714114.db2.gz CXZYTINZSBJINE-OAHLLOKOSA-N 0 1 344.224 3.296 20 10 EGCDMN COc1cc(Cl)cnc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001156656479 1380605457 /nfs/dbraw/zinc/60/54/57/1380605457.db2.gz VZBFAEXZZWBASZ-UHFFFAOYSA-N 0 1 346.862 3.108 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CCCCN1C1CC1 ZINC001328773404 1388854996 /nfs/dbraw/zinc/85/49/96/1388854996.db2.gz ZUJUAPTUNRUGRC-CYBMUJFWSA-N 0 1 339.277 3.261 20 10 EGCDMN COc1ccc(N2CCN([C@@H](C)CCC(=O)OC(C)C)CC2)c(C)c1 ZINC001172763190 1384846460 /nfs/dbraw/zinc/84/64/60/1384846460.db2.gz VUNCGBFBFQGQLT-KRWDZBQOSA-N 0 1 348.487 3.246 20 10 EGCDMN C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001320070429 1386489947 /nfs/dbraw/zinc/48/99/47/1386489947.db2.gz JHUBPEHXRPUPQI-JTQLQIEISA-N 0 1 344.249 3.365 20 10 EGCDMN C[C@@H]1CCCN(c2ccc(CNc3nccnc3CN)cc2Cl)C1 ZINC001336611037 1389125887 /nfs/dbraw/zinc/12/58/87/1389125887.db2.gz BALUGDVYTJYYSE-CYBMUJFWSA-N 0 1 345.878 3.437 20 10 EGCDMN C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1[O-] ZINC001331451584 1389753369 /nfs/dbraw/zinc/75/33/69/1389753369.db2.gz WEJUEBZCVZFORW-LBPRGKRZSA-N 0 1 346.814 3.122 20 10 EGCDMN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820412252 1423718900 /nfs/dbraw/zinc/71/89/00/1423718900.db2.gz LGFAHEUQVIINNI-KBPBESRZSA-N 0 1 336.443 3.345 20 10 EGCDMN Cc1cc(Cl)cc(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c1O ZINC000826267340 1430095693 /nfs/dbraw/zinc/09/56/93/1430095693.db2.gz AQDYTAIWSKVEQA-UHFFFAOYSA-N 0 1 343.818 3.166 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000817881552 955382571 /nfs/dbraw/zinc/38/25/71/955382571.db2.gz KUPPGUJBUGEBAF-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000817881552 955382588 /nfs/dbraw/zinc/38/25/88/955382588.db2.gz KUPPGUJBUGEBAF-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c1 ZINC000817881552 955382603 /nfs/dbraw/zinc/38/26/03/955382603.db2.gz KUPPGUJBUGEBAF-ZYHUDNBSSA-N 0 1 342.233 3.006 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC[C@H]1C(=O)[O-] ZINC000859816143 955914156 /nfs/dbraw/zinc/91/41/56/955914156.db2.gz XXOSWBAAONDWDZ-SMDDNHRTSA-N 0 1 344.377 3.314 20 10 EGCDMN CCN(C)c1ccc(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000846284751 979456006 /nfs/dbraw/zinc/45/60/06/979456006.db2.gz GVKKPUZNJZASSD-WOJBJXKFSA-N 0 1 338.451 3.443 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H]2CC(=O)[O-])c(C(F)(F)F)c1 ZINC000902010119 980688098 /nfs/dbraw/zinc/68/80/98/980688098.db2.gz PCXZJSHVOANLMU-ZDUSSCGKSA-N 0 1 330.350 3.211 20 10 EGCDMN COc1ccc(N2CCC[N@@H+](Cc3cc(C(=O)[O-])oc3C)CC2)cc1 ZINC001599585133 993602684 /nfs/dbraw/zinc/60/26/84/993602684.db2.gz LLTFZBAABPSNAB-UHFFFAOYSA-N 0 1 344.411 3.007 20 10 EGCDMN C[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1cc(F)cc(F)c1O ZINC001593299753 994724423 /nfs/dbraw/zinc/72/44/23/994724423.db2.gz VHXFWEODWSSJDX-ZETCQYMHSA-N 0 1 342.729 3.268 20 10 EGCDMN COc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001599406531 997315337 /nfs/dbraw/zinc/31/53/37/997315337.db2.gz DOULFGUYITYIAC-BLLLJJGKSA-N 0 1 335.444 3.383 20 10 EGCDMN C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094280 455081515 /nfs/dbraw/zinc/08/15/15/455081515.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 0 1 339.277 3.071 20 10 EGCDMN Cc1nn(C)c(C)c1C[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000185276585 455532528 /nfs/dbraw/zinc/53/25/28/455532528.db2.gz AZACPSOQKTZXPZ-VIFPVBQESA-N 0 1 338.249 3.356 20 10 EGCDMN O=[N+]([O-])c1ccccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976217 454190634 /nfs/dbraw/zinc/19/06/34/454190634.db2.gz CCMNPSLCSOKHSI-QGZVFWFLSA-N 0 1 342.395 3.482 20 10 EGCDMN C[C@@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885632 454348926 /nfs/dbraw/zinc/34/89/26/454348926.db2.gz GDQVXLCXGAXUKN-OXQOHEQNSA-N 0 1 342.487 3.185 20 10 EGCDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000093419078 454715128 /nfs/dbraw/zinc/71/51/28/454715128.db2.gz XLPVXTIYHGTRTL-NSHDSACASA-N 0 1 328.796 3.202 20 10 EGCDMN COc1cccc(CN(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000093889630 454744161 /nfs/dbraw/zinc/74/41/61/454744161.db2.gz VHDACGZBHQZVCV-NPMABZOXSA-N 0 1 333.453 3.331 20 10 EGCDMN COCc1ccc([C@H]2CCCN2Cc2cc3c(cc2O)OCO3)o1 ZINC000137068267 454768371 /nfs/dbraw/zinc/76/83/71/454768371.db2.gz YCQVVWOJVGFBAS-CQSZACIVSA-N 0 1 331.368 3.197 20 10 EGCDMN CCN(CC(=O)Nc1cccc(OC)c1)Cc1cccc(C)c1O ZINC000179564198 455058447 /nfs/dbraw/zinc/05/84/47/455058447.db2.gz HRDHYUWGBSYAST-UHFFFAOYSA-N 0 1 328.412 3.170 20 10 EGCDMN C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)ccc3O)CC[C@@H]21 ZINC000156094280 455081514 /nfs/dbraw/zinc/08/15/14/455081514.db2.gz TUYPNQAMPWNAKI-WFASDCNBSA-N 0 1 339.277 3.071 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179927222 455099918 /nfs/dbraw/zinc/09/99/18/455099918.db2.gz GFAZDSOUADFTTO-GFCCVEGCSA-N 0 1 340.851 3.392 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@@](C)(N)c2ccccc2)cc1 ZINC000192520116 455635060 /nfs/dbraw/zinc/63/50/60/455635060.db2.gz NVTBJLGXKSJAIF-FQEVSTJZSA-N 0 1 325.456 3.023 20 10 EGCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cn[nH]c1 ZINC000284295367 455664020 /nfs/dbraw/zinc/66/40/20/455664020.db2.gz YGEPEEDFEMTCCD-MJBXVCDLSA-N 0 1 332.423 3.013 20 10 EGCDMN C[C@@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1ccc2ccccc2c1[O-] ZINC000186027885 455678843 /nfs/dbraw/zinc/67/88/43/455678843.db2.gz BISFYULSJCSZAD-CYBMUJFWSA-N 0 1 335.469 3.409 20 10 EGCDMN C[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000192910372 455715924 /nfs/dbraw/zinc/71/59/24/455715924.db2.gz PIOYSTOTTNMYME-HNNXBMFYSA-N 0 1 328.456 3.307 20 10 EGCDMN Cc1ccc(O)c(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)c1 ZINC000292879140 455764747 /nfs/dbraw/zinc/76/47/47/455764747.db2.gz XLSUFYFIALLKCJ-UHFFFAOYSA-N 0 1 328.387 3.103 20 10 EGCDMN C[N@@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@H](CO)c1ccccc1 ZINC000295132797 455839591 /nfs/dbraw/zinc/83/95/91/455839591.db2.gz YIQLWOUWIMLOOF-OAHLLOKOSA-N 0 1 336.775 3.119 20 10 EGCDMN CC[C@H]1CO[C@@H](C)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583048 455853706 /nfs/dbraw/zinc/85/37/06/455853706.db2.gz SFBZFZXNQVCKIQ-WMZOPIPTSA-N 0 1 332.488 3.301 20 10 EGCDMN O=C([O-])c1ccc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000296757626 456030137 /nfs/dbraw/zinc/03/01/37/456030137.db2.gz FAXNRLGYAXCIPT-GOSISDBHSA-N 0 1 341.407 3.272 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000287292217 456065506 /nfs/dbraw/zinc/06/55/06/456065506.db2.gz DGAGPKBICWCJSJ-SRVKXCTJSA-N 0 1 328.250 3.478 20 10 EGCDMN CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287760565 456078234 /nfs/dbraw/zinc/07/82/34/456078234.db2.gz QVRQAEAUNGNELZ-PBHICJAKSA-N 0 1 339.911 3.112 20 10 EGCDMN CN(C)c1ncc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000271031921 456105186 /nfs/dbraw/zinc/10/51/86/456105186.db2.gz YWYLQNAEMUONRC-HNNXBMFYSA-N 0 1 347.484 3.096 20 10 EGCDMN Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cc(Br)ccc1[O-] ZINC000226036663 456106816 /nfs/dbraw/zinc/10/68/16/456106816.db2.gz MDQPFXXGWYLZMG-ZDUSSCGKSA-N 0 1 336.233 3.055 20 10 EGCDMN CCC[C@]1(CO)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000290070183 456231798 /nfs/dbraw/zinc/23/17/98/456231798.db2.gz FTCHIVJKEQLYSP-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000290070183 456231804 /nfs/dbraw/zinc/23/18/04/456231804.db2.gz FTCHIVJKEQLYSP-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CO[C@H](C)c1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000273619277 456240437 /nfs/dbraw/zinc/24/04/37/456240437.db2.gz YMWMZGSMYZNINW-VHSXEESVSA-N 0 1 337.401 3.315 20 10 EGCDMN CO[C@@H](C)c1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])cs1 ZINC000273619279 456240495 /nfs/dbraw/zinc/24/04/95/456240495.db2.gz YMWMZGSMYZNINW-ZJUUUORDSA-N 0 1 337.401 3.315 20 10 EGCDMN CCN1CCN(c2ccc(CNc3ncc(C)s3)cc2F)CC1 ZINC000302877309 456424234 /nfs/dbraw/zinc/42/42/34/456424234.db2.gz GLDHCMKUMGIDAB-UHFFFAOYSA-N 0 1 334.464 3.345 20 10 EGCDMN COCCOCc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000291020884 456499795 /nfs/dbraw/zinc/49/97/95/456499795.db2.gz GWCMJYPSBLNJGG-UHFFFAOYSA-N 0 1 335.831 3.498 20 10 EGCDMN CCN(CC)c1ccc(C[NH2+]Cc2nc(C(=O)[O-])cs2)cc1F ZINC000277289011 456763347 /nfs/dbraw/zinc/76/33/47/456763347.db2.gz MHQORFIIPWLXRD-UHFFFAOYSA-N 0 1 337.420 3.116 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNc1ccc(N2CCN(C)CC2)cn1 ZINC000352526001 457439810 /nfs/dbraw/zinc/43/98/10/457439810.db2.gz JBWAQXSWLJXMCI-UHFFFAOYSA-N 0 1 349.482 3.246 20 10 EGCDMN CC1(C)[C@H]([NH2+]Cc2cc(Br)ccc2[O-])[C@@H]2CCCO[C@H]21 ZINC000371799764 458079335 /nfs/dbraw/zinc/07/93/35/458079335.db2.gz TVEUOYJKQIPBNE-NWANDNLSSA-N 0 1 340.261 3.448 20 10 EGCDMN CC[C@@H]([NH2+][C@H](C)Cn1cccn1)c1cc(Br)ccc1[O-] ZINC000037155647 522936392 /nfs/dbraw/zinc/93/63/92/522936392.db2.gz ULNWIIZCYUAQFL-BXUZGUMPSA-N 0 1 338.249 3.481 20 10 EGCDMN C[C@H]([NH2+]CCCCn1ccnc1)c1cc(Br)ccc1[O-] ZINC000756462353 576136731 /nfs/dbraw/zinc/13/67/31/576136731.db2.gz WNUJONFESQRHCK-LBPRGKRZSA-N 0 1 338.249 3.482 20 10 EGCDMN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756630263 576160009 /nfs/dbraw/zinc/16/00/09/576160009.db2.gz SRSCIBXBWMWFGP-VXGBXAGGSA-N 0 1 327.266 3.147 20 10 EGCDMN CN(C)c1ccc(CNC(=O)CN2CCC(C3CCCC3)CC2)cc1 ZINC000744412007 576827581 /nfs/dbraw/zinc/82/75/81/576827581.db2.gz LLZMTZQOKVPQOB-UHFFFAOYSA-N 0 1 343.515 3.271 20 10 EGCDMN COc1ccc(N2CCC[N@@H+](Cc3ccsc3C(=O)[O-])CC2)cc1 ZINC000832384098 601808982 /nfs/dbraw/zinc/80/89/82/601808982.db2.gz SZEIPZSZLPEWAP-UHFFFAOYSA-N 0 1 346.452 3.167 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2Cc1ccc(Br)cc1[O-] ZINC000691677314 1298136008 /nfs/dbraw/zinc/13/60/08/1298136008.db2.gz NASZYYPSMDRZJF-BOOVAVIHSA-N 0 1 338.245 3.010 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1ccc(Br)cc1[O-] ZINC000691677314 1298136012 /nfs/dbraw/zinc/13/60/12/1298136012.db2.gz NASZYYPSMDRZJF-BOOVAVIHSA-N 0 1 338.245 3.010 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1ccc(Br)cc1[O-] ZINC000691677325 1298136171 /nfs/dbraw/zinc/13/61/71/1298136171.db2.gz NASZYYPSMDRZJF-XNHOIOAFSA-N 0 1 338.245 3.010 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@H+]2Cc1ccc(Br)cc1[O-] ZINC000691677325 1298136180 /nfs/dbraw/zinc/13/61/80/1298136180.db2.gz NASZYYPSMDRZJF-XNHOIOAFSA-N 0 1 338.245 3.010 20 10 EGCDMN COc1ccccc1N1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000028890744 1291317677 /nfs/dbraw/zinc/31/76/77/1291317677.db2.gz ZTWBOIULTNZRFM-UHFFFAOYSA-N 0 1 349.434 3.271 20 10 EGCDMN CCN(Cc1ccccc1)c1ccc(CN2CCc3n[nH]nc3C2)cc1 ZINC000827884963 1292393441 /nfs/dbraw/zinc/39/34/41/1292393441.db2.gz MPKLFLGJMAVGQJ-UHFFFAOYSA-N 0 1 347.466 3.390 20 10 EGCDMN Cc1ncc([C@@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000090404323 1292792693 /nfs/dbraw/zinc/79/26/93/1292792693.db2.gz PUFGRYSPKAJQFA-GFCCVEGCSA-N 0 1 349.475 3.403 20 10 EGCDMN CCOc1cccc(CN2CCc3ccc([N+](=O)[O-])cc3C2)c1O ZINC000093338296 1292915067 /nfs/dbraw/zinc/91/50/67/1292915067.db2.gz MKQNNPFEUFQJLA-UHFFFAOYSA-N 0 1 328.368 3.257 20 10 EGCDMN C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000834895250 1293167792 /nfs/dbraw/zinc/16/77/92/1293167792.db2.gz AKNDFNCIBIWLIM-QWRGUYRKSA-N 0 1 338.249 3.170 20 10 EGCDMN CC[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccc(C(F)(F)F)cc1[O-] ZINC000834907888 1293172330 /nfs/dbraw/zinc/17/23/30/1293172330.db2.gz FOUHVUBFKXISKQ-IUODEOHRSA-N 0 1 330.350 3.120 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000129994752 1293640756 /nfs/dbraw/zinc/64/07/56/1293640756.db2.gz CDYMAMNGEVHUSB-LLVKDONJSA-N 0 1 326.234 3.156 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)CCOCc2ccccc2)c1O ZINC000154637440 1294064658 /nfs/dbraw/zinc/06/46/58/1294064658.db2.gz ZCOGCBAMSSLTRD-UHFFFAOYSA-N 0 1 331.387 3.383 20 10 EGCDMN Cc1cc(C(=O)N(C)Cc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000172618153 1294440242 /nfs/dbraw/zinc/44/02/42/1294440242.db2.gz XJTDQKKXDLNZQS-UHFFFAOYSA-N 0 1 343.818 3.138 20 10 EGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175412639 1294555697 /nfs/dbraw/zinc/55/56/97/1294555697.db2.gz DCHHEYDDAQGVDV-AWEZNQCLSA-N 0 1 337.427 3.320 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCN(c3ccccc3)CC2)c1O ZINC000175591263 1294565139 /nfs/dbraw/zinc/56/51/39/1294565139.db2.gz YYXIVICWEJKWCG-UHFFFAOYSA-N 0 1 342.414 3.446 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3ccccc3)CC2)c1[O-] ZINC000175591263 1294565145 /nfs/dbraw/zinc/56/51/45/1294565145.db2.gz YYXIVICWEJKWCG-UHFFFAOYSA-N 0 1 342.414 3.446 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCCN(c3ccccc3)CC2)c1[O-] ZINC000175591263 1294565154 /nfs/dbraw/zinc/56/51/54/1294565154.db2.gz YYXIVICWEJKWCG-UHFFFAOYSA-N 0 1 342.414 3.446 20 10 EGCDMN CC(=O)c1cc(F)cc(CN2CCCN(c3ccccc3)CC2)c1O ZINC000175591263 1294565162 /nfs/dbraw/zinc/56/51/62/1294565162.db2.gz YYXIVICWEJKWCG-UHFFFAOYSA-N 0 1 342.414 3.446 20 10 EGCDMN COc1ccc(O)c(CN(Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000179695435 1294816072 /nfs/dbraw/zinc/81/60/72/1294816072.db2.gz GQQNEVPJRPMTDB-UHFFFAOYSA-N 0 1 328.368 3.474 20 10 EGCDMN Cc1cccc(CN2CCN(c3ccc(C#N)cc3F)CC2)c1O ZINC000179888368 1294835953 /nfs/dbraw/zinc/83/59/53/1294835953.db2.gz AXNMEIKRDXSFHH-UHFFFAOYSA-N 0 1 325.387 3.034 20 10 EGCDMN CCCC[N@@H+](CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000183005145 1295092271 /nfs/dbraw/zinc/09/22/71/1295092271.db2.gz CCLHKDHTZGGEKZ-UHFFFAOYSA-N 0 1 342.439 3.059 20 10 EGCDMN CCCCN(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000183005145 1295092285 /nfs/dbraw/zinc/09/22/85/1295092285.db2.gz CCLHKDHTZGGEKZ-UHFFFAOYSA-N 0 1 342.439 3.059 20 10 EGCDMN C[C@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc2ccccc2c1[O-] ZINC000185361379 1295259296 /nfs/dbraw/zinc/25/92/96/1295259296.db2.gz QXRXOBMQKRQEAK-HNNXBMFYSA-N 0 1 328.456 3.307 20 10 EGCDMN COc1cccc(CN2CCN(c3ccccc3F)C[C@H]2C)c1O ZINC000188034494 1295430555 /nfs/dbraw/zinc/43/05/55/1295430555.db2.gz AWMGHPBJQUPNSU-CQSZACIVSA-N 0 1 330.403 3.251 20 10 EGCDMN Cc1cc(C)n(CCC[NH2+]Cc2c([O-])cccc2Br)n1 ZINC000706809023 1298222209 /nfs/dbraw/zinc/22/22/09/1298222209.db2.gz GBXNPIWHKHGPDM-UHFFFAOYSA-N 0 1 338.249 3.148 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]CCOCc1ccccc1 ZINC000706821299 1298222782 /nfs/dbraw/zinc/22/27/82/1298222782.db2.gz BITYAKUOXZDMBL-UHFFFAOYSA-N 0 1 336.229 3.461 20 10 EGCDMN COC[C@@]1(C)CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000715701613 1298284235 /nfs/dbraw/zinc/28/42/35/1298284235.db2.gz DTZMADQCYORREV-AWEZNQCLSA-N 0 1 332.213 3.152 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000719569799 1298321088 /nfs/dbraw/zinc/32/10/88/1298321088.db2.gz DFVDACFHFOTPJO-UHFFFAOYSA-N 0 1 339.258 3.390 20 10 EGCDMN Oc1cc(Br)ccc1CNCc1nc2c(s1)CCC2 ZINC000719569799 1298321098 /nfs/dbraw/zinc/32/10/98/1298321098.db2.gz DFVDACFHFOTPJO-UHFFFAOYSA-N 0 1 339.258 3.390 20 10 EGCDMN O=C1[C@H](NCc2ccc3c(c2)CCO3)CCN1c1cccc(Cl)c1 ZINC000749883968 1299291395 /nfs/dbraw/zinc/29/13/95/1299291395.db2.gz PJRBXKPSYQMRAP-QGZVFWFLSA-N 0 1 342.826 3.170 20 10 EGCDMN Cc1cc(CC(=O)NCCN2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000752297057 1299719861 /nfs/dbraw/zinc/71/98/61/1299719861.db2.gz IKLGTANULJTSMK-UHFFFAOYSA-N 0 1 345.874 3.112 20 10 EGCDMN Cc1cc(C(=O)NCCN2CCC2)c(C)n1-c1ccc(Cl)cc1 ZINC000752298144 1299719994 /nfs/dbraw/zinc/71/99/94/1299719994.db2.gz AECBSISXGMORBJ-UHFFFAOYSA-N 0 1 331.847 3.183 20 10 EGCDMN C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(Br)cc1O ZINC000756380241 1300481045 /nfs/dbraw/zinc/48/10/45/1300481045.db2.gz FNMNNTWEKXOWFU-BMIGLBTASA-N 0 1 349.228 3.032 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1cc(Br)ccc1[O-] ZINC000756431710 1300489317 /nfs/dbraw/zinc/48/93/17/1300489317.db2.gz DJDGALWXNNKFOX-YGRLFVJLSA-N 0 1 327.266 3.146 20 10 EGCDMN C[C@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1ccc2ccccc2c1[O-] ZINC000756431554 1300489493 /nfs/dbraw/zinc/48/94/93/1300489493.db2.gz NEJOLSRJTDAGSC-AWEZNQCLSA-N 0 1 345.406 3.372 20 10 EGCDMN C[C@H]([NH2+]Cc1ccccc1CO)c1ccc(Br)cc1[O-] ZINC000756460548 1300497274 /nfs/dbraw/zinc/49/72/74/1300497274.db2.gz SCRYLKGWUKHVAE-NSHDSACASA-N 0 1 336.229 3.498 20 10 EGCDMN C[C@@H]([NH2+]C1CCN(C[C@H]2CCCO2)CC1)c1cc(Cl)ccc1[O-] ZINC000756571795 1300524156 /nfs/dbraw/zinc/52/41/56/1300524156.db2.gz FOIRYDHZTIYTLP-CZUORRHYSA-N 0 1 338.879 3.340 20 10 EGCDMN Cc1cnc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000758160378 1300797412 /nfs/dbraw/zinc/79/74/12/1300797412.db2.gz VLVJYKLAAGAIJR-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN Cc1cnc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC000758160378 1300797419 /nfs/dbraw/zinc/79/74/19/1300797419.db2.gz VLVJYKLAAGAIJR-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000758529593 1300904169 /nfs/dbraw/zinc/90/41/69/1300904169.db2.gz QGERVCUCOPTPAD-YJBOKZPZSA-N 0 1 335.806 3.441 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)Cc1cnc(N2CCCC2)nc1 ZINC000768133902 1302832096 /nfs/dbraw/zinc/83/20/96/1302832096.db2.gz MYDXPHJFNJQJBU-UHFFFAOYSA-N 0 1 339.487 3.165 20 10 EGCDMN CC[N@@H+](CCc1ccccn1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769033397 1303034410 /nfs/dbraw/zinc/03/44/10/1303034410.db2.gz LGSOWJBXRTUGEB-UHFFFAOYSA-N 0 1 335.791 3.413 20 10 EGCDMN CC(C)COC(=O)N1CCCN(Cc2c(O)cccc2Cl)CC1 ZINC000769225511 1303075663 /nfs/dbraw/zinc/07/56/63/1303075663.db2.gz JFLXPNMDZRNVSF-UHFFFAOYSA-N 0 1 340.851 3.346 20 10 EGCDMN C[N@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769332334 1303094170 /nfs/dbraw/zinc/09/41/70/1303094170.db2.gz AHDUIJLWGOLWKH-AWEZNQCLSA-N 0 1 340.851 3.487 20 10 EGCDMN C[N@@H+](Cc1cc(Cl)ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000769332334 1303094174 /nfs/dbraw/zinc/09/41/74/1303094174.db2.gz AHDUIJLWGOLWKH-AWEZNQCLSA-N 0 1 340.851 3.487 20 10 EGCDMN CC(C)(C)C[N@@H+](CCCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000769341695 1303096786 /nfs/dbraw/zinc/09/67/86/1303096786.db2.gz IMPVEKYOUBWJLG-UHFFFAOYSA-N 0 1 330.812 3.184 20 10 EGCDMN Cc1c[nH]cc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771062527 1303354626 /nfs/dbraw/zinc/35/46/26/1303354626.db2.gz AQXULZXJVBMHLB-HNNXBMFYSA-N 0 1 347.846 3.077 20 10 EGCDMN CC(C)[C@@H](C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771063300 1303355836 /nfs/dbraw/zinc/35/58/36/1303355836.db2.gz DZUPANCVPDKOTO-CJNGLKHVSA-N 0 1 338.879 3.418 20 10 EGCDMN CCN(CC)c1ccc(CN(C)Cc2cccc(C(=O)OC)n2)cc1 ZINC000773735224 1303732364 /nfs/dbraw/zinc/73/23/64/1303732364.db2.gz ZLHUUEWDAGIXKH-UHFFFAOYSA-N 0 1 341.455 3.346 20 10 EGCDMN COc1c([O-])c(C[NH2+]Cc2ccc(Cl)cc2F)ccc1[N+](=O)[O-] ZINC000775085490 1303904922 /nfs/dbraw/zinc/90/49/22/1303904922.db2.gz QIPFMPBFTIAHHX-UHFFFAOYSA-N 0 1 340.738 3.391 20 10 EGCDMN CC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000775523864 1303978567 /nfs/dbraw/zinc/97/85/67/1303978567.db2.gz OGJRKNVFKKANIA-OCCSQVGLSA-N 0 1 328.250 3.356 20 10 EGCDMN CC[C@H]([NH2+]CCc1n[nH]c(C)n1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546597 1303982322 /nfs/dbraw/zinc/98/23/22/1303982322.db2.gz MKSDYTVOQDKMKC-NSHDSACASA-N 0 1 329.231 3.409 20 10 EGCDMN CC[C@H]([NH2+]CCc1nnc(C)[nH]1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775546597 1303982327 /nfs/dbraw/zinc/98/23/27/1303982327.db2.gz MKSDYTVOQDKMKC-NSHDSACASA-N 0 1 329.231 3.409 20 10 EGCDMN 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CCOCc1cc(C[NH2+][C@H](C(=O)[O-])c2cccs2)ccc1OC ZINC000841794737 979311638 /nfs/dbraw/zinc/31/16/38/979311638.db2.gz BMRWNVQNFFEOBQ-INIZCTEOSA-N 0 1 335.425 3.209 20 10 EGCDMN CCOc1ccc(N2CC[NH+](Cc3csc(C(=O)[O-])c3)CC2)cc1 ZINC001597112395 986776551 /nfs/dbraw/zinc/77/65/51/986776551.db2.gz SWNPKBAYPFPUCS-UHFFFAOYSA-N 0 1 346.452 3.167 20 10 EGCDMN O=S(=O)(Nc1ccc(O)cc1)c1ccccc1OC(F)(F)F ZINC000095348661 218282654 /nfs/dbraw/zinc/28/26/54/218282654.db2.gz PFEJRXCOBZJCRY-UHFFFAOYSA-N 0 1 333.287 3.092 20 10 EGCDMN CCC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCOCC1 ZINC000266622463 455432010 /nfs/dbraw/zinc/43/20/10/455432010.db2.gz LVNWSGMGFRREOX-UHFFFAOYSA-N 0 1 328.250 3.451 20 10 EGCDMN O=[N+]([O-])c1cccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)c1 ZINC000154295307 454882094 /nfs/dbraw/zinc/88/20/94/454882094.db2.gz YWQFEZRFSRIUPO-UHFFFAOYSA-N 0 1 342.351 3.194 20 10 EGCDMN CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)c1cc(Br)ccc1[O-] ZINC000127964912 455013792 /nfs/dbraw/zinc/01/37/92/455013792.db2.gz 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ZINC000783315173 1305081071 /nfs/dbraw/zinc/08/10/71/1305081071.db2.gz VRAXNGGDGZPNJV-LLVKDONJSA-N 0 1 327.266 3.290 20 10 EGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000785989159 1305486827 /nfs/dbraw/zinc/48/68/27/1305486827.db2.gz SQEQGGNJYMOJAS-SUNKGSAMSA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000785989159 1305486833 /nfs/dbraw/zinc/48/68/33/1305486833.db2.gz SQEQGGNJYMOJAS-SUNKGSAMSA-N 0 1 328.250 3.136 20 10 EGCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)[C@@H]1C ZINC000787239806 1305715893 /nfs/dbraw/zinc/71/58/93/1305715893.db2.gz CUCAXOLNDYOIQK-CHWSQXEVSA-N 0 1 343.423 3.401 20 10 EGCDMN COC(=O)[C@@H]1CC[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1C ZINC000787239806 1305715898 /nfs/dbraw/zinc/71/58/98/1305715898.db2.gz CUCAXOLNDYOIQK-CHWSQXEVSA-N 0 1 343.423 3.401 20 10 EGCDMN COC(=O)[C@@H]1CC[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)[C@@H]1C ZINC000787239806 1305715905 /nfs/dbraw/zinc/71/59/05/1305715905.db2.gz CUCAXOLNDYOIQK-CHWSQXEVSA-N 0 1 343.423 3.401 20 10 EGCDMN CCn1c(CNCc2ccc(OC)c(OC)c2O)nc2ccccc21 ZINC000893574373 1305973529 /nfs/dbraw/zinc/97/35/29/1305973529.db2.gz YAASPPPOLOZQHX-UHFFFAOYSA-N 0 1 341.411 3.069 20 10 EGCDMN C[C@H]([NH2+]CCOC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000788982188 1306057921 /nfs/dbraw/zinc/05/79/21/1306057921.db2.gz VWJZLZNCSPOZBW-ZETCQYMHSA-N 0 1 328.128 3.342 20 10 EGCDMN CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789946225 1306236239 /nfs/dbraw/zinc/23/62/39/1306236239.db2.gz ANCCEJIZBLZGEX-UHFFFAOYSA-N 0 1 346.402 3.009 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2ccc3cn[nH]c3c2)c1[O-] ZINC000790620458 1306363452 /nfs/dbraw/zinc/36/34/52/1306363452.db2.gz ZLCHHKBOYTTZLX-UHFFFAOYSA-N 0 1 346.774 3.162 20 10 EGCDMN CC[C@H]([NH2+]CC(C)(C)C(=O)NC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810228930 1317981830 /nfs/dbraw/zinc/98/18/30/1317981830.db2.gz OFWKAURSVNKBOK-LBPRGKRZSA-N 0 1 332.366 3.224 20 10 EGCDMN C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1cccc(Br)c1[O-] ZINC000790935476 1308891968 /nfs/dbraw/zinc/89/19/68/1308891968.db2.gz WUBATPUFPHQIAR-AAEUAGOBSA-N 0 1 328.250 3.280 20 10 EGCDMN Oc1ccc(Cl)c(F)c1CNCc1cn(-c2ccccc2)nn1 ZINC000790976858 1308901864 /nfs/dbraw/zinc/90/18/64/1308901864.db2.gz NIYAJJFXOPBYMG-UHFFFAOYSA-N 0 1 332.766 3.055 20 10 EGCDMN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782535 1309069506 /nfs/dbraw/zinc/06/95/06/1309069506.db2.gz LKOJLJCVDJACFI-YGRLFVJLSA-N 0 1 345.256 3.066 20 10 EGCDMN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895034852 1309166380 /nfs/dbraw/zinc/16/63/80/1309166380.db2.gz WVEXZXCDUDBBKA-KCJUWKMLSA-N 0 1 334.641 3.153 20 10 EGCDMN Oc1c(Br)cccc1CN1CCn2nc(C3CC3)cc2C1 ZINC000896940340 1310095367 /nfs/dbraw/zinc/09/53/67/1310095367.db2.gz YYRXDSKKGBLETL-UHFFFAOYSA-N 0 1 348.244 3.244 20 10 EGCDMN CC(C)(C)OC(=O)N=c1[nH]cc(CNCc2ccccc2O)s1 ZINC000800233005 1310708325 /nfs/dbraw/zinc/70/83/25/1310708325.db2.gz SOZQLTKNPFSIOP-UHFFFAOYSA-N 0 1 335.429 3.486 20 10 EGCDMN CN(C)c1ccc([C@H](C[NH2+]Cc2nc3ccccc3o2)N(C)C)cc1 ZINC000898449500 1310741056 /nfs/dbraw/zinc/74/10/56/1310741056.db2.gz GTHLTALSQNJUNE-SFHVURJKSA-N 0 1 338.455 3.286 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)c2ccccc2C)cc1 ZINC000826019515 1320379122 /nfs/dbraw/zinc/37/91/22/1320379122.db2.gz HNEOBIPZEUKQIZ-FQEVSTJZSA-N 0 1 339.483 3.500 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000826539333 1320387281 /nfs/dbraw/zinc/38/72/81/1320387281.db2.gz RQGPOIAUGCUYQE-LSDHHAIUSA-N 0 1 339.277 3.261 20 10 EGCDMN CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000827184858 1320432630 /nfs/dbraw/zinc/43/26/30/1320432630.db2.gz IJPFBGFXJRHYHS-UHFFFAOYSA-N 0 1 345.443 3.364 20 10 EGCDMN CCC[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)OC ZINC000836523493 1320499023 /nfs/dbraw/zinc/49/90/23/1320499023.db2.gz JSVOYDYRSFAMRI-LLVKDONJSA-N 0 1 335.231 3.313 20 10 EGCDMN C[C@H](O)c1ccc(C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858106538 1328683454 /nfs/dbraw/zinc/68/34/54/1328683454.db2.gz KQUMRQWBBIOLCM-NSHDSACASA-N 0 1 336.229 3.498 20 10 EGCDMN Cc1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000804922520 1317298886 /nfs/dbraw/zinc/29/88/86/1317298886.db2.gz VABCMFSUFPJYQW-UHFFFAOYSA-N 0 1 340.210 3.402 20 10 EGCDMN Cc1noc(C)c1CC[NH2+]Cc1c([O-])cccc1Br ZINC000858131470 1328690564 /nfs/dbraw/zinc/69/05/64/1328690564.db2.gz WUSHMMYZYIYPFF-UHFFFAOYSA-N 0 1 325.206 3.092 20 10 EGCDMN Cn1ccc(CNC(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000805168591 1317322646 /nfs/dbraw/zinc/32/26/46/1317322646.db2.gz SDUVGBSOKVGMJL-UHFFFAOYSA-N 0 1 328.199 3.037 20 10 EGCDMN CO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1(C)C ZINC000805179131 1317323374 /nfs/dbraw/zinc/32/33/74/1317323374.db2.gz RVQLUMIXPYCRDU-VXGBXAGGSA-N 0 1 347.242 3.312 20 10 EGCDMN Cc1cc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)nn1C ZINC000806360364 1317483210 /nfs/dbraw/zinc/48/32/10/1317483210.db2.gz DUXNAPMFJSNGHJ-UHFFFAOYSA-N 0 1 329.187 3.063 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000858186075 1328706936 /nfs/dbraw/zinc/70/69/36/1328706936.db2.gz PUOCTPWVXRBBOI-LSDHHAIUSA-N 0 1 339.277 3.261 20 10 EGCDMN O=C(CCc1ccc(=O)[nH]c1)NCc1cc(Cl)cc(Cl)c1O ZINC000807839214 1317591013 /nfs/dbraw/zinc/59/10/13/1317591013.db2.gz ZLTWLDJEDRHHRK-UHFFFAOYSA-N 0 1 341.194 3.049 20 10 EGCDMN NC(=O)c1cnc(NCc2cc(Cl)cc(Cl)c2O)c(Cl)c1 ZINC000808088980 1317621978 /nfs/dbraw/zinc/62/19/78/1317621978.db2.gz NJNPLSNUOCDLTH-UHFFFAOYSA-N 0 1 346.601 3.458 20 10 EGCDMN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809691212 1317863959 /nfs/dbraw/zinc/86/39/59/1317863959.db2.gz JNJAQDKKLDXMIK-ZDUSSCGKSA-N 0 1 326.824 3.146 20 10 EGCDMN CC[N@H+](CCCN1CCCC1)Cc1cccc(Br)c1[O-] ZINC000809750332 1317890590 /nfs/dbraw/zinc/89/05/90/1317890590.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 0 1 341.293 3.463 20 10 EGCDMN CC[N@@H+](CCCN1CCCC1)Cc1cccc(Br)c1[O-] ZINC000809750332 1317890595 /nfs/dbraw/zinc/89/05/95/1317890595.db2.gz UKLVHYXFVLGDGF-UHFFFAOYSA-N 0 1 341.293 3.463 20 10 EGCDMN C[N@H+](CCn1cc(Br)cn1)Cc1c([O-])cccc1Cl ZINC000809793211 1317903217 /nfs/dbraw/zinc/90/32/17/1317903217.db2.gz ULBNFEBZTACZNB-UHFFFAOYSA-N 0 1 344.640 3.137 20 10 EGCDMN C[N@@H+](CCn1cc(Br)cn1)Cc1c([O-])cccc1Cl ZINC000809793211 1317903228 /nfs/dbraw/zinc/90/32/28/1317903228.db2.gz ULBNFEBZTACZNB-UHFFFAOYSA-N 0 1 344.640 3.137 20 10 EGCDMN CN(CCn1cc(Br)cn1)Cc1c(O)cccc1Cl ZINC000809793211 1317903234 /nfs/dbraw/zinc/90/32/34/1317903234.db2.gz ULBNFEBZTACZNB-UHFFFAOYSA-N 0 1 344.640 3.137 20 10 EGCDMN CCOc1cccc(NC(=S)NCc2cc(N(C)C)ccn2)c1 ZINC000905618869 1317973542 /nfs/dbraw/zinc/97/35/42/1317973542.db2.gz PPVJUVQAUKBZRR-UHFFFAOYSA-N 0 1 330.457 3.033 20 10 EGCDMN CC[C@H]([NH2+][C@@H]1CCN(CCOC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810216003 1317977761 /nfs/dbraw/zinc/97/77/61/1317977761.db2.gz BLEQCHCPMQNJAL-HIFRSBDPSA-N 0 1 346.393 3.172 20 10 EGCDMN CC[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810221168 1317978952 /nfs/dbraw/zinc/97/89/52/1317978952.db2.gz LXXLCASUBJCYAK-STQMWFEESA-N 0 1 330.350 3.073 20 10 EGCDMN CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238818 1317984468 /nfs/dbraw/zinc/98/44/68/1317984468.db2.gz NTSOWUSJFPGHHX-GWCFXTLKSA-N 0 1 332.366 3.319 20 10 EGCDMN C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1ccc(Br)cc1[O-] ZINC000810259986 1317989205 /nfs/dbraw/zinc/98/92/05/1317989205.db2.gz ZCNLFXDUVMUTNN-YGRLFVJLSA-N 0 1 328.250 3.356 20 10 EGCDMN COC(=O)c1cc(CN(C)Cc2ccc(N(C)C)c(C)c2)oc1C ZINC000815009028 1318865248 /nfs/dbraw/zinc/86/52/48/1318865248.db2.gz XNVMGWUSVJWHLA-UHFFFAOYSA-N 0 1 330.428 3.381 20 10 EGCDMN Fc1cc(CNc2cc3c(cn2)CCC3)ccc1N1CCOCC1 ZINC000815158857 1318915520 /nfs/dbraw/zinc/91/55/20/1318915520.db2.gz CJWDVZGDJMPDNM-UHFFFAOYSA-N 0 1 327.403 3.158 20 10 EGCDMN CC(C)C(=O)NC1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816486392 1319164391 /nfs/dbraw/zinc/16/43/91/1319164391.db2.gz BRDAZHBQHRSGFW-UHFFFAOYSA-N 0 1 326.440 3.282 20 10 EGCDMN CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499372 1319167515 /nfs/dbraw/zinc/16/75/15/1319167515.db2.gz NYPXNWSFSPPVPV-KRWDZBQOSA-N 0 1 326.440 3.284 20 10 EGCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499372 1319167521 /nfs/dbraw/zinc/16/75/21/1319167521.db2.gz NYPXNWSFSPPVPV-KRWDZBQOSA-N 0 1 326.440 3.284 20 10 EGCDMN [O-]c1c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)ccc2ccccc21 ZINC000816557365 1319181590 /nfs/dbraw/zinc/18/15/90/1319181590.db2.gz NRYVKECYZHTDJF-MRXNPFEDSA-N 0 1 337.398 3.448 20 10 EGCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000817573211 1319399577 /nfs/dbraw/zinc/39/95/77/1319399577.db2.gz CBHNTDJRZNNHSB-AWEZNQCLSA-N 0 1 331.847 3.422 20 10 EGCDMN C[C@@H]([NH2+]C[C@H]1CC[C@H](C(N)=O)CC1)c1ccc2ccccc2c1[O-] ZINC000817585489 1319405793 /nfs/dbraw/zinc/40/57/93/1319405793.db2.gz FEYZCJKQMSXJCR-IIAWOOMASA-N 0 1 326.440 3.488 20 10 EGCDMN Cc1cc(C(=O)N2CCc3nc[nH]c3C2)c(C)n1-c1cccc(C)c1 ZINC000819972481 1319813446 /nfs/dbraw/zinc/81/34/46/1319813446.db2.gz GPBNVBBTYVBUFB-UHFFFAOYSA-N 0 1 334.423 3.324 20 10 EGCDMN CCn1nc(C)c(C[NH2+]Cc2ccc(Br)cc2[O-])c1C ZINC000825196899 1320317458 /nfs/dbraw/zinc/31/74/58/1320317458.db2.gz BRIWPBCJHYDNNE-UHFFFAOYSA-N 0 1 338.249 3.278 20 10 EGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CCCC[C@H]1O ZINC000825446043 1320339029 /nfs/dbraw/zinc/33/90/29/1320339029.db2.gz HEYRALYDWIWUAT-SMDDNHRTSA-N 0 1 328.250 3.138 20 10 EGCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@@H]1CCCC[C@H]1O ZINC000825446043 1320339032 /nfs/dbraw/zinc/33/90/32/1320339032.db2.gz HEYRALYDWIWUAT-SMDDNHRTSA-N 0 1 328.250 3.138 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)cc1Cl ZINC000825738210 1320359337 /nfs/dbraw/zinc/35/93/37/1320359337.db2.gz KHQZKBDMVKASJX-NSHDSACASA-N 0 1 328.840 3.357 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1Cl ZINC000825803522 1320363700 /nfs/dbraw/zinc/36/37/00/1320363700.db2.gz AHHGWQFOLKIDMD-CXAGYDPISA-N 0 1 339.863 3.011 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1Cl ZINC000826535433 1320385997 /nfs/dbraw/zinc/38/59/97/1320385997.db2.gz WYTZJMPRVFYGMO-INIZCTEOSA-N 0 1 336.863 3.091 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000840997232 1321196497 /nfs/dbraw/zinc/19/64/97/1321196497.db2.gz OPIWLJNYAVKSEX-LLVKDONJSA-N 0 1 342.233 3.150 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c1 ZINC000840997232 1321196499 /nfs/dbraw/zinc/19/64/99/1321196499.db2.gz OPIWLJNYAVKSEX-LLVKDONJSA-N 0 1 342.233 3.150 20 10 EGCDMN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000841297265 1321248330 /nfs/dbraw/zinc/24/83/30/1321248330.db2.gz DGXSRLRYQOGZRT-CVEARBPZSA-N 0 1 338.455 3.396 20 10 EGCDMN C[C@@H]1CN(C(=O)Nc2ccc(N)cc2)[C@@H](C)CN1Cc1ccccc1 ZINC000841297265 1321248338 /nfs/dbraw/zinc/24/83/38/1321248338.db2.gz DGXSRLRYQOGZRT-CVEARBPZSA-N 0 1 338.455 3.396 20 10 EGCDMN COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841744641 1321305215 /nfs/dbraw/zinc/30/52/15/1321305215.db2.gz JKTWGHKXQUAPFN-LBPRGKRZSA-N 0 1 336.819 3.317 20 10 EGCDMN C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000841743794 1321305855 /nfs/dbraw/zinc/30/58/55/1321305855.db2.gz CEBTUPDYTZPVLO-SMDDNHRTSA-N 0 1 339.794 3.275 20 10 EGCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841757666 1321307239 /nfs/dbraw/zinc/30/72/39/1321307239.db2.gz OPFQZEJQDSPUAP-PWSUYJOCSA-N 0 1 333.819 3.427 20 10 EGCDMN C[C@@H]([NH2+]Cc1ccc2c(c1)C(=O)NCC2)c1ccc(Cl)cc1[O-] ZINC000841754389 1321307359 /nfs/dbraw/zinc/30/73/59/1321307359.db2.gz QIHWBRQFIHEHIO-LLVKDONJSA-N 0 1 330.815 3.182 20 10 EGCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841757664 1321307429 /nfs/dbraw/zinc/30/74/29/1321307429.db2.gz OPFQZEJQDSPUAP-JQWIXIFHSA-N 0 1 333.819 3.427 20 10 EGCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])C1(O)CCOCC1 ZINC000841889671 1321327194 /nfs/dbraw/zinc/32/71/94/1321327194.db2.gz GYTYFMWZGVPQKN-UHFFFAOYSA-N 0 1 329.440 3.203 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Oc1cc2c(cc1CN1CC[C@@H](Oc3ccccc3Cl)C1)OCO2 ZINC000155201027 1294088731 /nfs/dbraw/zinc/08/87/31/1294088731.db2.gz SWYMUSGNQOADKG-CYBMUJFWSA-N 0 1 347.798 3.428 20 10 EGCDMN CCOc1ccc(O)c(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000155209699 1294088768 /nfs/dbraw/zinc/08/87/68/1294088768.db2.gz RNCURGPYWOIPCM-LJQANCHMSA-N 0 1 326.440 3.280 20 10 EGCDMN CCOc1ccc(O)c(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000155209699 1294088774 /nfs/dbraw/zinc/08/87/74/1294088774.db2.gz RNCURGPYWOIPCM-LJQANCHMSA-N 0 1 326.440 3.280 20 10 EGCDMN CC[C@@H]([NH2+]C[C@]1(OC)CCOC1)c1cc(Br)ccc1[O-] ZINC000160086928 1294256855 /nfs/dbraw/zinc/25/68/55/1294256855.db2.gz ACGKWNFAIRFLGJ-UKRRQHHQSA-N 0 1 344.249 3.001 20 10 EGCDMN CN(Cc1cccc(F)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160463506 1294268495 /nfs/dbraw/zinc/26/84/95/1294268495.db2.gz AFEFNLKEAYUESH-UHFFFAOYSA-N 0 1 332.394 3.433 20 10 EGCDMN CCC[N@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177354183 1294666309 /nfs/dbraw/zinc/66/63/09/1294666309.db2.gz NHYPMMAWPUGJPT-CQSZACIVSA-N 0 1 338.879 3.412 20 10 EGCDMN CCC[N@@H+](C)C[C@H]1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177354183 1294666315 /nfs/dbraw/zinc/66/63/15/1294666315.db2.gz NHYPMMAWPUGJPT-CQSZACIVSA-N 0 1 338.879 3.412 20 10 EGCDMN CCN(CC[NH2+]Cc1cc(Cl)ccc1[O-])C(=O)OC(C)(C)C ZINC000227874230 1296151822 /nfs/dbraw/zinc/15/18/22/1296151822.db2.gz KBNWUUNQZUJGMH-UHFFFAOYSA-N 0 1 328.840 3.392 20 10 EGCDMN Cc1ccc(/C=C2/SC(=S)N(C3CCN(C)CC3)C2=O)cc1 ZINC000255658247 1296558129 /nfs/dbraw/zinc/55/81/29/1296558129.db2.gz UYKNGWNENJARFJ-RVDMUPIBSA-N 0 1 332.494 3.290 20 10 EGCDMN CCCOc1ccc(CNCc2cccc(S(C)(=O)=O)c2)cc1C ZINC000873130289 1297287365 /nfs/dbraw/zinc/28/73/65/1297287365.db2.gz ABJJVPYVAVABOC-UHFFFAOYSA-N 0 1 347.480 3.477 20 10 EGCDMN COc1ccc(O)c([C@H](C)NCc2ccncc2Br)c1 ZINC000686562683 1298118074 /nfs/dbraw/zinc/11/80/74/1298118074.db2.gz UUGKRTULEHJFSS-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN CC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cc(Br)ccc1[O-] ZINC000696079785 1298162323 /nfs/dbraw/zinc/16/23/23/1298162323.db2.gz SRZVQSJCLONDSI-MFKMUULPSA-N 0 1 328.250 3.356 20 10 EGCDMN Cc1cnc(CC[NH2+]Cc2c([O-])cccc2Br)c(C)c1 ZINC000706872946 1298226961 /nfs/dbraw/zinc/22/69/61/1298226961.db2.gz XEPWQFTZOUEWOE-UHFFFAOYSA-N 0 1 335.245 3.499 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000713534768 1298270922 /nfs/dbraw/zinc/27/09/22/1298270922.db2.gz BFVAIXSYXQFUHB-CFVMTHIKSA-N 0 1 338.245 3.202 20 10 EGCDMN CCOc1cccc(CN2CCC[C@H](OCC(F)(F)F)C2)c1O ZINC000725847201 1298374480 /nfs/dbraw/zinc/37/44/80/1298374480.db2.gz VNHXIPLSFZHWHI-ZDUSSCGKSA-N 0 1 333.350 3.334 20 10 EGCDMN OC1CCN(c2ccc(CN3CC=C(C(F)(F)F)CC3)cc2)CC1 ZINC000876763589 1298969040 /nfs/dbraw/zinc/96/90/40/1298969040.db2.gz KVWOCMWDIKUTHA-UHFFFAOYSA-N 0 1 340.389 3.342 20 10 EGCDMN C[C@H](N1CCN(Cc2c(O)ccc3ccncc32)CC1)C(F)(F)F ZINC000749965122 1299315280 /nfs/dbraw/zinc/31/52/80/1299315280.db2.gz WGXZUGGZIIOZTF-LBPRGKRZSA-N 0 1 339.361 3.009 20 10 EGCDMN C[C@@H](N1CCN(Cc2c(O)ccc3ccncc32)CC1)C(F)(F)F ZINC000749965121 1299315654 /nfs/dbraw/zinc/31/56/54/1299315654.db2.gz WGXZUGGZIIOZTF-GFCCVEGCSA-N 0 1 339.361 3.009 20 10 EGCDMN CCCc1nc(C)c(CNCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000877548092 1299389758 /nfs/dbraw/zinc/38/97/58/1299389758.db2.gz RIHTYRLLJYESRS-UHFFFAOYSA-N 0 1 343.471 3.186 20 10 EGCDMN CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000877675493 1299471055 /nfs/dbraw/zinc/47/10/55/1299471055.db2.gz RPGYXJFGFFXPTC-ZDUSSCGKSA-N 0 1 331.243 3.190 20 10 EGCDMN CCOC(=O)CC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000752796732 1299795418 /nfs/dbraw/zinc/79/54/18/1299795418.db2.gz KFMDPTWSGPREDD-OAHLLOKOSA-N 0 1 342.439 3.496 20 10 EGCDMN CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000752796732 1299795423 /nfs/dbraw/zinc/79/54/23/1299795423.db2.gz KFMDPTWSGPREDD-OAHLLOKOSA-N 0 1 342.439 3.496 20 10 EGCDMN O=C([O-])[C@@H](C[NH2+]Cc1c(O)ccc(Cl)c1F)Cc1ccccc1 ZINC000756311342 1300466601 /nfs/dbraw/zinc/46/66/01/1300466601.db2.gz VUMXAVWWUFPIAE-GFCCVEGCSA-N 0 1 337.778 3.218 20 10 EGCDMN COC(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000756525934 1300514929 /nfs/dbraw/zinc/51/49/29/1300514929.db2.gz DILJIAIWZMILBR-DZGCQCFKSA-N 0 1 328.412 3.427 20 10 EGCDMN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1ccc(Br)cc1[O-] ZINC000756585081 1300527180 /nfs/dbraw/zinc/52/71/80/1300527180.db2.gz XBOAKQLIHFXFGT-DGCLKSJQSA-N 0 1 344.249 3.001 20 10 EGCDMN CCCc1cnc(NCc2ccc(N3CCN(C)CC3)cc2)s1 ZINC000758457607 1300890541 /nfs/dbraw/zinc/89/05/41/1300890541.db2.gz OLTKPGRGUZIOEJ-UHFFFAOYSA-N 0 1 330.501 3.460 20 10 EGCDMN C[NH+](C)CCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1F ZINC000883144798 1302270808 /nfs/dbraw/zinc/27/08/08/1302270808.db2.gz BBPALACOCVKDFA-UHFFFAOYSA-N 0 1 340.345 3.362 20 10 EGCDMN C[C@@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CCO[C@@H]1C1CC1 ZINC000767194338 1302602867 /nfs/dbraw/zinc/60/28/67/1302602867.db2.gz CONDJEIYUDUUTC-CVEARBPZSA-N 0 1 340.261 3.450 20 10 EGCDMN 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0 1 336.229 3.320 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716510 1320280212 /nfs/dbraw/zinc/28/02/12/1320280212.db2.gz WEXWNWVVRSUHLN-FMKPAKJESA-N 0 1 340.261 3.280 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000824716510 1320280218 /nfs/dbraw/zinc/28/02/18/1320280218.db2.gz WEXWNWVVRSUHLN-FMKPAKJESA-N 0 1 340.261 3.280 20 10 EGCDMN Cc1noc(C)c1CC[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825234561 1320320311 /nfs/dbraw/zinc/32/03/11/1320320311.db2.gz SOQFGJJOEIVEGR-UHFFFAOYSA-N 0 1 325.206 3.092 20 10 EGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(C)cc(Br)c1[O-] ZINC000825293975 1320324732 /nfs/dbraw/zinc/32/47/32/1320324732.db2.gz GHJCHDOOWBJRPU-CYBMUJFWSA-N 0 1 328.250 3.464 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000825338088 1320329512 /nfs/dbraw/zinc/32/95/12/1320329512.db2.gz LLOBXTPWGNUWME-LBPRGKRZSA-N 0 1 328.250 3.058 20 10 EGCDMN C[C@@H]1C[C@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1[O-] ZINC000825885406 1320368861 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CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1[O-] ZINC000370214901 457587841 /nfs/dbraw/zinc/58/78/41/457587841.db2.gz ISLKXKMCUWCRQX-ZDUSSCGKSA-N 0 1 347.846 3.046 20 10 EGCDMN O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cccc(Cl)c1[O-])C2 ZINC000364450868 457609289 /nfs/dbraw/zinc/60/92/89/457609289.db2.gz XAJZRNVJIZYOBE-SFHVURJKSA-N 0 1 328.799 3.141 20 10 EGCDMN C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cc(Br)ccc2O)C1 ZINC000368131635 458014834 /nfs/dbraw/zinc/01/48/34/458014834.db2.gz AXWPYUDAGGQHLK-IUODEOHRSA-N 0 1 339.277 3.071 20 10 EGCDMN CN(C)c1ccc(CN2CC[C@@H](O)C(C)(C)C2)c(C(F)(F)F)c1 ZINC000280693886 547373379 /nfs/dbraw/zinc/37/33/79/547373379.db2.gz VYHAOQDPKDMQKV-OAHLLOKOSA-N 0 1 330.394 3.364 20 10 EGCDMN COc1cccc(O)c1CNCC(=O)Nc1cccc2ccccc21 ZINC000732230818 575247114 /nfs/dbraw/zinc/24/71/14/575247114.db2.gz BEFYTQKLCFMMFP-UHFFFAOYSA-N 0 1 336.391 3.282 20 10 EGCDMN CCc1cc(N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000733191975 575319153 /nfs/dbraw/zinc/31/91/53/575319153.db2.gz VBFSBJCKBWNTFH-INIZCTEOSA-N 0 1 346.862 3.475 20 10 EGCDMN CCc1cc(N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)ncn1 ZINC000733191975 575319155 /nfs/dbraw/zinc/31/91/55/575319155.db2.gz VBFSBJCKBWNTFH-INIZCTEOSA-N 0 1 346.862 3.475 20 10 EGCDMN CC(C)N1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736473794 575969902 /nfs/dbraw/zinc/96/99/02/575969902.db2.gz IMFDVBAZAMATQA-UHFFFAOYSA-N 0 1 342.439 3.160 20 10 EGCDMN CC(C)[N@@H+]1CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736473794 575969903 /nfs/dbraw/zinc/96/99/03/575969903.db2.gz IMFDVBAZAMATQA-UHFFFAOYSA-N 0 1 342.439 3.160 20 10 EGCDMN CC(C)[N@H+]1CCCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736473794 575969904 /nfs/dbraw/zinc/96/99/04/575969904.db2.gz IMFDVBAZAMATQA-UHFFFAOYSA-N 0 1 342.439 3.160 20 10 EGCDMN Oc1c(Cl)cc(Cl)cc1CNc1cccc(-c2nn[nH]n2)c1 ZINC000378914249 608867457 /nfs/dbraw/zinc/86/74/57/608867457.db2.gz VIAFBGACCGUGPG-UHFFFAOYSA-N 0 1 336.182 3.491 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000219097020 1296123587 /nfs/dbraw/zinc/12/35/87/1296123587.db2.gz NMRASJBJSINRIA-CYBMUJFWSA-N 0 1 328.231 3.039 20 10 EGCDMN Cc1nc(CC[NH2+]Cc2ccc(Br)cc2[O-])cs1 ZINC000691500839 1298133330 /nfs/dbraw/zinc/13/33/30/1298133330.db2.gz KYYWGWYGEFOGNP-UHFFFAOYSA-N 0 1 327.247 3.252 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCSC(F)(F)F ZINC000691443029 1298133656 /nfs/dbraw/zinc/13/36/56/1298133656.db2.gz GFAKXPRFOPIQKJ-UHFFFAOYSA-N 0 1 330.169 3.497 20 10 EGCDMN CC(=O)N1CCN(Cc2ccc(N3CCCCC3)c(C)c2)C(C)(C)C1 ZINC000828711845 1292492414 /nfs/dbraw/zinc/49/24/14/1292492414.db2.gz QNWBKRCRMLAOIN-UHFFFAOYSA-N 0 1 343.515 3.428 20 10 EGCDMN COC1CCN(c2ccc(CN3CCOC[C@H]3C3CCC3)cc2)CC1 ZINC000830213581 1292687496 /nfs/dbraw/zinc/68/74/96/1292687496.db2.gz JQNQZFLYLNRIBP-NRFANRHFSA-N 0 1 344.499 3.303 20 10 EGCDMN CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092734119 1292887988 /nfs/dbraw/zinc/88/79/88/1292887988.db2.gz XICNNYKXMBNIFW-NSHDSACASA-N 0 1 345.270 3.437 20 10 EGCDMN COc1cccc(CN(C)[C@H]2CCCN(c3ccccc3)C2=O)c1O ZINC000093512532 1292922887 /nfs/dbraw/zinc/92/28/87/1292922887.db2.gz PABMZUGRXYDXLQ-KRWDZBQOSA-N 0 1 340.423 3.028 20 10 EGCDMN CC(C)(CCC(=O)NCc1cc(Cl)cc(Cl)c1O)[N+](=O)[O-] ZINC000832059819 1292950898 /nfs/dbraw/zinc/95/08/98/1292950898.db2.gz SBCGWFCBYRRKBU-UHFFFAOYSA-N 0 1 335.187 3.151 20 10 EGCDMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000111235443 1293101901 /nfs/dbraw/zinc/10/19/01/1293101901.db2.gz MEQIBDFFKZYOJT-HZPDHXFCSA-N 0 1 326.440 3.398 20 10 EGCDMN Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1O ZINC000111235443 1293101906 /nfs/dbraw/zinc/10/19/06/1293101906.db2.gz MEQIBDFFKZYOJT-HZPDHXFCSA-N 0 1 326.440 3.398 20 10 EGCDMN COc1cccnc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000834906701 1293172589 /nfs/dbraw/zinc/17/25/89/1293172589.db2.gz SKSAHFPBNRWSIZ-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN COc1cccnc1CN[C@@H](C)c1ccc(Br)cc1O ZINC000834906701 1293172592 /nfs/dbraw/zinc/17/25/92/1293172592.db2.gz SKSAHFPBNRWSIZ-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000151874088 1293942917 /nfs/dbraw/zinc/94/29/17/1293942917.db2.gz MBSHYCLBWUCTJU-UHFFFAOYSA-N 0 1 328.393 3.358 20 10 EGCDMN CCOC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000153961647 1294036385 /nfs/dbraw/zinc/03/63/85/1294036385.db2.gz WJNOKKYSAXFNDZ-SFHVURJKSA-N 0 1 345.487 3.387 20 10 EGCDMN CCOC(=O)N[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000153961647 1294036392 /nfs/dbraw/zinc/03/63/92/1294036392.db2.gz WJNOKKYSAXFNDZ-SFHVURJKSA-N 0 1 345.487 3.387 20 10 EGCDMN CCN(C)c1ccc([C@@H](C)NCCS(=O)(=O)c2ccccc2)cc1 ZINC000154119795 1294042378 /nfs/dbraw/zinc/04/23/78/1294042378.db2.gz MYIYEDHHZFXGKB-MRXNPFEDSA-N 0 1 346.496 3.267 20 10 EGCDMN Cc1cc(C)c(O)c(CN2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000164392563 1294347675 /nfs/dbraw/zinc/34/76/75/1294347675.db2.gz OVSQJSPHADWBEZ-UHFFFAOYSA-N 0 1 334.357 3.027 20 10 EGCDMN COc1ccc(O)c([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3o2)c1 ZINC000182393938 1295042929 /nfs/dbraw/zinc/04/29/29/1295042929.db2.gz YNKDHCHYWHDSTO-JTQLQIEISA-N 0 1 343.339 3.301 20 10 EGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000192155888 1295737124 /nfs/dbraw/zinc/73/71/24/1295737124.db2.gz KSJPSFQGDGXYIC-UHFFFAOYSA-N 0 1 349.355 3.332 20 10 EGCDMN C[C@@H](CC[NH2+]Cc1c([O-])cccc1Cl)NC(=O)OC(C)(C)C ZINC000226647920 1296140396 /nfs/dbraw/zinc/14/03/96/1296140396.db2.gz CHEHDEGRDNNGRX-NSHDSACASA-N 0 1 328.840 3.439 20 10 EGCDMN CN(CCC[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000226647571 1296140543 /nfs/dbraw/zinc/14/05/43/1296140543.db2.gz DRTJEJVLCZCGOH-UHFFFAOYSA-N 0 1 328.840 3.392 20 10 EGCDMN COC[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000249989423 1296453913 /nfs/dbraw/zinc/45/39/13/1296453913.db2.gz ZQROHUPPKFDAJM-KBPBESRZSA-N 0 1 345.439 3.253 20 10 EGCDMN COC[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@H](C)O1 ZINC000249989423 1296453916 /nfs/dbraw/zinc/45/39/16/1296453916.db2.gz ZQROHUPPKFDAJM-KBPBESRZSA-N 0 1 345.439 3.253 20 10 EGCDMN CC[C@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)ccc1[O-] ZINC000315761540 1297138872 /nfs/dbraw/zinc/13/88/72/1297138872.db2.gz CMAYCWNHFTYFHL-ZFWWWQNUSA-N 0 1 328.250 3.356 20 10 EGCDMN CO[C@H](C[NH2+]Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000692952844 1298147705 /nfs/dbraw/zinc/14/77/05/1298147705.db2.gz YJAGMDWBNCOQIL-OAHLLOKOSA-N 0 1 328.250 3.450 20 10 EGCDMN COc1ccccc1CC[NH2+]Cc1c([O-])cccc1Br ZINC000706830044 1298222471 /nfs/dbraw/zinc/22/24/71/1298222471.db2.gz LUXMBMJTPIHUCS-UHFFFAOYSA-N 0 1 336.229 3.496 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]Cc1cccc2c1OCC2 ZINC000706883310 1298226665 /nfs/dbraw/zinc/22/66/65/1298226665.db2.gz MGLVDEDJZFJYTD-UHFFFAOYSA-N 0 1 334.213 3.379 20 10 EGCDMN Oc1cccc(Br)c1CNCc1cccc2c1OCC2 ZINC000706883310 1298226668 /nfs/dbraw/zinc/22/66/68/1298226668.db2.gz MGLVDEDJZFJYTD-UHFFFAOYSA-N 0 1 334.213 3.379 20 10 EGCDMN COc1ccc(CN[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1C ZINC000725842708 1298371449 /nfs/dbraw/zinc/37/14/49/1298371449.db2.gz MMNWBJWWJQGQIW-HOTGVXAUSA-N 0 1 338.451 3.460 20 10 EGCDMN Cc1ccc(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(O)c1 ZINC000876811903 1299005039 /nfs/dbraw/zinc/00/50/39/1299005039.db2.gz IEPKDWJEGALFDE-ICSRJNTNSA-N 0 1 327.424 3.025 20 10 EGCDMN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1O ZINC000750537498 1299420568 /nfs/dbraw/zinc/42/05/68/1299420568.db2.gz NBZDKCIXFLVSFW-UHFFFAOYSA-N 0 1 346.427 3.015 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(Cc2ccccc2)C[C@H](C)O)c1O ZINC000750826854 1299459680 /nfs/dbraw/zinc/45/96/80/1299459680.db2.gz RNNILXQDTAIJRG-ZDUSSCGKSA-N 0 1 331.387 3.117 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000750826854 1299459686 /nfs/dbraw/zinc/45/96/86/1299459686.db2.gz RNNILXQDTAIJRG-ZDUSSCGKSA-N 0 1 331.387 3.117 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+](Cc2ccccc2)C[C@H](C)O)c1[O-] ZINC000750826854 1299459688 /nfs/dbraw/zinc/45/96/88/1299459688.db2.gz RNNILXQDTAIJRG-ZDUSSCGKSA-N 0 1 331.387 3.117 20 10 EGCDMN Cc1cc(O)c(CNCc2c(Br)cnn2C)cc1Cl ZINC000877673938 1299469852 /nfs/dbraw/zinc/46/98/52/1299469852.db2.gz IBQNAFFAJCWOBX-UHFFFAOYSA-N 0 1 344.640 3.140 20 10 EGCDMN C[C@H]1CC[C@H](C)N1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088509 1299692523 /nfs/dbraw/zinc/69/25/23/1299692523.db2.gz LFDTVBLIRWGVMY-HOTGVXAUSA-N 0 1 342.439 3.387 20 10 EGCDMN CCCN(CCCS(=O)(=O)C(C)(C)C)Cc1ccccc1O ZINC000878152843 1299782370 /nfs/dbraw/zinc/78/23/70/1299782370.db2.gz ZHGLSPMWAKHDQC-UHFFFAOYSA-N 0 1 327.490 3.208 20 10 EGCDMN COc1ccc(N2CCN(CCCOc3ccccc3)CC2)cc1F ZINC000753857609 1300030465 /nfs/dbraw/zinc/03/04/65/1300030465.db2.gz NLDGUMJKOVOELN-UHFFFAOYSA-N 0 1 344.430 3.425 20 10 EGCDMN COc1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1F ZINC000753858481 1300031497 /nfs/dbraw/zinc/03/14/97/1300031497.db2.gz SXNFNAHJGKTYLG-UHFFFAOYSA-N 0 1 342.414 3.091 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccc(Br)cc1[O-] ZINC000756382120 1300480935 /nfs/dbraw/zinc/48/09/35/1300480935.db2.gz RCPXHKBSKBQNJX-NOZJJQNGSA-N 0 1 326.190 3.132 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)ccc1[O-] ZINC000756431707 1300490244 /nfs/dbraw/zinc/49/02/44/1300490244.db2.gz DJDGALWXNNKFOX-QMTHXVAHSA-N 0 1 327.266 3.146 20 10 EGCDMN C[C@H](N[C@@H](CO)c1c(F)cccc1F)c1cc(F)cc(F)c1O ZINC000756710695 1300550670 /nfs/dbraw/zinc/55/06/70/1300550670.db2.gz FKEYGCHQWDLKMK-RTHLEPHNSA-N 0 1 329.293 3.333 20 10 EGCDMN C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756776842 1300564974 /nfs/dbraw/zinc/56/49/74/1300564974.db2.gz SIKIFYYGAWLSGV-IONNQARKSA-N 0 1 342.155 3.119 20 10 EGCDMN COC(=O)c1ccc(CN(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000757390090 1300668791 /nfs/dbraw/zinc/66/87/91/1300668791.db2.gz VDUZUOWWZSFZIR-UHFFFAOYSA-N 0 1 330.403 3.310 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000761509918 1301487692 /nfs/dbraw/zinc/48/76/92/1301487692.db2.gz CAYCQAALSDDFNX-ZDUSSCGKSA-N 0 1 328.250 3.198 20 10 EGCDMN C[C@@H](NCc1ccc(F)cn1)c1ccc(N2CCOCC2)c(F)c1 ZINC000766606524 1302485758 /nfs/dbraw/zinc/48/57/58/1302485758.db2.gz CBEFQDGYTVBWRL-CYBMUJFWSA-N 0 1 333.382 3.047 20 10 EGCDMN O=C1CN(Cc2cc(-c3ccccc3)ccc2O)[C@H]2CCCC[C@H]2N1 ZINC000769192842 1303067555 /nfs/dbraw/zinc/06/75/55/1303067555.db2.gz QOEBZHBMKKDYAM-MOPGFXCFSA-N 0 1 336.435 3.302 20 10 EGCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1ccc(N(C)C)c(F)c1 ZINC000769499617 1303127553 /nfs/dbraw/zinc/12/75/53/1303127553.db2.gz ZMLZZUMOMXYCQS-SJORKVTESA-N 0 1 335.467 3.113 20 10 EGCDMN COc1ccc(O)c([C@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000769788597 1303175250 /nfs/dbraw/zinc/17/52/50/1303175250.db2.gz XQWSTOFPWQJSBF-JTQLQIEISA-N 0 1 342.355 3.036 20 10 EGCDMN C[C@H](NC(=O)c1cc(F)cc2nc[nH]c21)c1ccc(N(C)C)cc1 ZINC000775404602 1303958291 /nfs/dbraw/zinc/95/82/91/1303958291.db2.gz YVFZMBLIPRWRAU-NSHDSACASA-N 0 1 326.375 3.259 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1cc(Cl)ccc1[O-] ZINC000775488993 1303972090 /nfs/dbraw/zinc/97/20/90/1303972090.db2.gz LOUCYQKENZPHRZ-MRXNPFEDSA-N 0 1 326.868 3.197 20 10 EGCDMN CC[C@@H]([NH2+]CCN1CCC(OC)CC1)c1cc(Cl)ccc1[O-] ZINC000775511466 1303976173 /nfs/dbraw/zinc/97/61/73/1303976173.db2.gz GAPORUKIQOVLDM-MRXNPFEDSA-N 0 1 326.868 3.197 20 10 EGCDMN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000776866383 1304213551 /nfs/dbraw/zinc/21/35/51/1304213551.db2.gz GBOLEYKQKJCUPN-MDASCCDHSA-N 0 1 345.439 3.017 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@@H+]3CCCC[C@@H]3C2)c1 ZINC000781897055 1304887907 /nfs/dbraw/zinc/88/79/07/1304887907.db2.gz BYSDKRWFDJIGLA-CQSZACIVSA-N 0 1 339.277 3.133 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CC[N@H+]3CCCC[C@@H]3C2)c1 ZINC000781897055 1304887913 /nfs/dbraw/zinc/88/79/13/1304887913.db2.gz BYSDKRWFDJIGLA-CQSZACIVSA-N 0 1 339.277 3.133 20 10 EGCDMN COC(=O)c1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000781901038 1304888572 /nfs/dbraw/zinc/88/85/72/1304888572.db2.gz PLSLWKAPZWLVCA-UHFFFAOYSA-N 0 1 341.455 3.424 20 10 EGCDMN COc1ccccc1[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000782067039 1304911359 /nfs/dbraw/zinc/91/13/59/1304911359.db2.gz IPIDOUXPWVGPPP-MRXNPFEDSA-N 0 1 349.814 3.080 20 10 EGCDMN Cc1nccnc1[C@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000783222801 1305064817 /nfs/dbraw/zinc/06/48/17/1305064817.db2.gz GFRLGEJHTBPEDQ-ZBFHGGJFSA-N 0 1 326.444 3.033 20 10 EGCDMN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000783648057 1305123143 /nfs/dbraw/zinc/12/31/43/1305123143.db2.gz YADOZJAJYWIXPX-TVQRCGJNSA-N 0 1 326.190 3.132 20 10 EGCDMN CCc1cc(CN2C[C@H](COC)O[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000783968028 1305170226 /nfs/dbraw/zinc/17/02/26/1305170226.db2.gz PYMCDXCOLXBQAK-WMLDXEAASA-N 0 1 335.488 3.488 20 10 EGCDMN COc1ccc(CNc2ccc3c(c2)nc(C)n3C)c(O)c1OC ZINC000893378851 1305858677 /nfs/dbraw/zinc/85/86/77/1305858677.db2.gz LWEQGFAHQXPXSF-UHFFFAOYSA-N 0 1 327.384 3.217 20 10 EGCDMN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@H]1O ZINC000894096717 1306217486 /nfs/dbraw/zinc/21/74/86/1306217486.db2.gz YSFSNGCQTJBGQM-QPUJVOFHSA-N 0 1 334.641 3.011 20 10 EGCDMN O=S(=O)(Nc1ccc(O)cc1F)c1c(Cl)ccc(F)c1F ZINC000790067229 1306256486 /nfs/dbraw/zinc/25/64/86/1306256486.db2.gz ARYUINIKSORXRA-UHFFFAOYSA-N 0 1 337.706 3.264 20 10 EGCDMN CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838685 1317590559 /nfs/dbraw/zinc/59/05/59/1317590559.db2.gz OHKLGZISTMAEQJ-ZDUSSCGKSA-N 0 1 331.243 3.190 20 10 EGCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000790934628 1308892010 /nfs/dbraw/zinc/89/20/10/1308892010.db2.gz PTVZMWYIDSDZPQ-GXFFZTMASA-N 0 1 328.796 3.079 20 10 EGCDMN COc1ccc(CN2Cc3ccccc3O[C@@H](C)C2)c(O)c1OC ZINC000894593575 1308971019 /nfs/dbraw/zinc/97/10/19/1308971019.db2.gz UVWWSLDBOKXTKH-ZDUSSCGKSA-N 0 1 329.396 3.193 20 10 EGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000894815625 1309086096 /nfs/dbraw/zinc/08/60/96/1309086096.db2.gz RQLPOVGYAXJTQL-HXUWFJFHSA-N 0 1 347.405 3.488 20 10 EGCDMN [O-]c1c(Br)cc(Cl)cc1C[NH+]1CC2(C1)CCOC2 ZINC000894868362 1309107529 /nfs/dbraw/zinc/10/75/29/1309107529.db2.gz 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IDRXFTJJNKKNNH-MRXNPFEDSA-N 0 1 349.438 3.150 20 10 EGCDMN CN(Cc1cccs1)c1ccc(CN2CCC3(C2)OCCO3)cc1 ZINC000823432148 1320179056 /nfs/dbraw/zinc/17/90/56/1320179056.db2.gz DBASIMDBKOZGAI-UHFFFAOYSA-N 0 1 344.480 3.333 20 10 EGCDMN CCOc1cccc(C[N@H+](CCO)Cc2cc(Cl)ccc2[O-])c1 ZINC000825299279 1320324489 /nfs/dbraw/zinc/32/44/89/1320324489.db2.gz GOAXQCOTDBRMLD-UHFFFAOYSA-N 0 1 335.831 3.439 20 10 EGCDMN CCOc1cccc(C[N@@H+](CCO)Cc2cc(Cl)ccc2[O-])c1 ZINC000825299279 1320324494 /nfs/dbraw/zinc/32/44/94/1320324494.db2.gz GOAXQCOTDBRMLD-UHFFFAOYSA-N 0 1 335.831 3.439 20 10 EGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C[C@H]1CCCC[C@H]1O ZINC000825446038 1320338909 /nfs/dbraw/zinc/33/89/09/1320338909.db2.gz HEYRALYDWIWUAT-BXUZGUMPSA-N 0 1 328.250 3.138 20 10 EGCDMN C[N@H+](Cc1ccc(Br)cc1[O-])C[C@H]1CCCC[C@H]1O ZINC000825446038 1320338915 /nfs/dbraw/zinc/33/89/15/1320338915.db2.gz HEYRALYDWIWUAT-BXUZGUMPSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@H](CO)[N@@H+](Cc1ccc(Br)cc1[O-])CC1CCC1 ZINC000825815581 1320364173 /nfs/dbraw/zinc/36/41/73/1320364173.db2.gz CWPDRAYHHQDYFR-LLVKDONJSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@H](CO)[N@H+](Cc1ccc(Br)cc1[O-])CC1CCC1 ZINC000825815581 1320364178 /nfs/dbraw/zinc/36/41/78/1320364178.db2.gz CWPDRAYHHQDYFR-LLVKDONJSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000840460074 1321095207 /nfs/dbraw/zinc/09/52/07/1321095207.db2.gz LITDDVMNUYDTDN-QMMMGPOBSA-N 0 1 348.226 3.293 20 10 EGCDMN Cc1cc(N(C)C)ccc1CNCc1cccnc1OCC(F)F ZINC000840935688 1321180808 /nfs/dbraw/zinc/18/08/08/1321180808.db2.gz ACVQGSOGOIFVPX-UHFFFAOYSA-N 0 1 335.398 3.390 20 10 EGCDMN CCn1ccc(CNCc2ccc(OCc3ccccc3)cc2O)n1 ZINC000840954439 1321185277 /nfs/dbraw/zinc/18/52/77/1321185277.db2.gz FAGCLLNSZQPIJI-UHFFFAOYSA-N 0 1 337.423 3.477 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H](O)C[C@H]2c2ccccc2)c1[O-] ZINC000840956383 1321185409 /nfs/dbraw/zinc/18/54/09/1321185409.db2.gz SSGQSNRQLIMALZ-GJZGRUSLSA-N 0 1 348.786 3.262 20 10 EGCDMN C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1ccc(Cl)cc1[O-] ZINC000841743792 1321305133 /nfs/dbraw/zinc/30/51/33/1321305133.db2.gz CEBTUPDYTZPVLO-FZMZJTMJSA-N 0 1 339.794 3.275 20 10 EGCDMN C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000841763739 1321308993 /nfs/dbraw/zinc/30/89/93/1321308993.db2.gz QLKDQMOUTKNKJE-TZMCWYRMSA-N 0 1 337.435 3.237 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CCC([NH2+]CC3CC3)CC2)c1[O-] ZINC000843351371 1321504246 /nfs/dbraw/zinc/50/42/46/1321504246.db2.gz QJCWPBCXFRFWLA-UHFFFAOYSA-N 0 1 336.863 3.212 20 10 EGCDMN COC(=O)c1ccc([C@@H](C)N(C)CCN(C)c2ccc(OC)cc2)o1 ZINC000844399755 1321600625 /nfs/dbraw/zinc/60/06/25/1321600625.db2.gz NUYACYJUAQNPID-CQSZACIVSA-N 0 1 346.427 3.204 20 10 EGCDMN CCc1cccc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000848903549 1322040387 /nfs/dbraw/zinc/04/03/87/1322040387.db2.gz WBYHKSADXFWPDA-UHFFFAOYSA-N 0 1 340.471 3.190 20 10 EGCDMN Cc1cccc([C@@H]2C(=O)NCCN2Cc2c(O)ccc(Cl)c2F)c1 ZINC000848950939 1322050715 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C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000093889863 454744603 /nfs/dbraw/zinc/74/46/03/454744603.db2.gz VRGUJPIYPHATAL-OIRASMEMSA-N 0 1 347.436 3.051 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000177037213 454815068 /nfs/dbraw/zinc/81/50/68/454815068.db2.gz NSCZPPNSQIAQBH-GFCCVEGCSA-N 0 1 333.819 3.351 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1[O-] ZINC000177037213 454815073 /nfs/dbraw/zinc/81/50/73/454815073.db2.gz NSCZPPNSQIAQBH-GFCCVEGCSA-N 0 1 333.819 3.351 20 10 EGCDMN CCOCc1cc(CNCc2ccc(OC)c(O)c2)ccc1OC ZINC000171134682 455034901 /nfs/dbraw/zinc/03/49/01/455034901.db2.gz GPNMRCDOKYLNQK-UHFFFAOYSA-N 0 1 331.412 3.236 20 10 EGCDMN COc1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2CO)c1O ZINC000184694789 455429569 /nfs/dbraw/zinc/42/95/69/455429569.db2.gz UGJLKMMLCZFLQJ-INIZCTEOSA-N 0 1 333.815 3.146 20 10 EGCDMN Fc1cccc2c1OCC[C@@H]2NCc1ccc(N2CCOCC2)cc1 ZINC000191123623 455447644 /nfs/dbraw/zinc/44/76/44/455447644.db2.gz 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COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])cc1 ZINC000185953012 455661381 /nfs/dbraw/zinc/66/13/81/455661381.db2.gz JZWXKUCIDPVDIN-GFCCVEGCSA-N 0 1 348.830 3.135 20 10 EGCDMN C[C@H](NCCS(=O)(=O)Cc1ccccc1)c1ccc(N(C)C)cc1 ZINC000268796383 455714636 /nfs/dbraw/zinc/71/46/36/455714636.db2.gz IINNFNDSKROPNV-INIZCTEOSA-N 0 1 346.496 3.018 20 10 EGCDMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)c1ccc(Br)cc1[O-] ZINC000248495539 455717026 /nfs/dbraw/zinc/71/70/26/455717026.db2.gz KWWQKQYLPKUSGX-UDTVLSCZSA-N 0 1 348.240 3.464 20 10 EGCDMN Cc1nnsc1C[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000293780512 455797168 /nfs/dbraw/zinc/79/71/68/455797168.db2.gz TWXLEXPMQAZLAH-SSDOTTSWSA-N 0 1 328.235 3.165 20 10 EGCDMN CCOC(=O)[C@@H](F)C1CN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000293909283 455800623 /nfs/dbraw/zinc/80/06/23/455800623.db2.gz LRPOZEXZJJXJSF-IBGZPJMESA-N 0 1 343.398 3.392 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1ccc2ccccc2c1[O-] ZINC000287169105 456062521 /nfs/dbraw/zinc/06/25/21/456062521.db2.gz UNOZUDIKVWPLBG-KBPBESRZSA-N 0 1 333.453 3.021 20 10 EGCDMN C[C@H]([NH2+]CC1CCN(CC(F)(F)F)CC1)c1cc(F)ccc1[O-] ZINC000188514673 456076452 /nfs/dbraw/zinc/07/64/52/456076452.db2.gz BQCWHURQGMVRDH-NSHDSACASA-N 0 1 334.357 3.456 20 10 EGCDMN COc1cc(O)c(CN2CCN(c3ccc(C)cc3)CC2)cc1OC ZINC000272988566 456136946 /nfs/dbraw/zinc/13/69/46/456136946.db2.gz WJQDAWJFEAMNTE-UHFFFAOYSA-N 0 1 342.439 3.040 20 10 EGCDMN CCCOc1ccc(CN(CCOC)Cc2ccccn2)c(O)c1 ZINC000289720402 456137680 /nfs/dbraw/zinc/13/76/80/456137680.db2.gz HGOKEWXJCOOJLE-UHFFFAOYSA-N 0 1 330.428 3.225 20 10 EGCDMN CN(C)c1ccc(CN2CCC[C@@](O)(C(F)(F)F)CC2)cc1F ZINC000289870041 456162189 /nfs/dbraw/zinc/16/21/89/456162189.db2.gz VSQIQNSAXYFBAT-HNNXBMFYSA-N 0 1 334.357 3.171 20 10 EGCDMN CN(C)c1ccc(CN2CCC[C@](O)(C(F)(F)F)CC2)cc1F ZINC000289870043 456162490 /nfs/dbraw/zinc/16/24/90/456162490.db2.gz VSQIQNSAXYFBAT-OAHLLOKOSA-N 0 1 334.357 3.171 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCN(C3CCC3)CC2)c1[O-] ZINC000263667899 456186500 /nfs/dbraw/zinc/18/65/00/456186500.db2.gz IXLHKDRBKLAFEM-UHFFFAOYSA-N 0 1 339.823 3.060 20 10 EGCDMN Cc1cc(Br)cc([C@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000275270538 456271943 /nfs/dbraw/zinc/27/19/43/456271943.db2.gz BXGVFWFGQRMBCF-UWVGGRQHSA-N 0 1 339.237 3.003 20 10 EGCDMN CC[C@H](N[C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928753 456326660 /nfs/dbraw/zinc/32/66/60/456326660.db2.gz XLNBIISSYKPCDT-GJZGRUSLSA-N 0 1 326.444 3.438 20 10 EGCDMN FC(F)Oc1ccc(N2CCC[C@@H](N[C@@H]3CCn4ccnc43)C2)cc1 ZINC000297948326 456331721 /nfs/dbraw/zinc/33/17/21/456331721.db2.gz YMPZGHZHUBNAPN-CZUORRHYSA-N 0 1 348.397 3.188 20 10 EGCDMN COCCn1cc(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])cn1 ZINC000282949097 456673013 /nfs/dbraw/zinc/67/30/13/456673013.db2.gz ZCPUGVDGCGDOPR-AWEZNQCLSA-N 0 1 325.412 3.239 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]c2ccccc2c1=O ZINC000352122879 457340359 /nfs/dbraw/zinc/34/03/59/457340359.db2.gz UGLCMBPFERYDDI-UHFFFAOYSA-N 0 1 345.402 3.258 20 10 EGCDMN Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000368133371 458013259 /nfs/dbraw/zinc/01/32/59/458013259.db2.gz IVWKTEAXLRORJC-JTQLQIEISA-N 0 1 326.227 3.422 20 10 EGCDMN CCOc1cccc(CN2CCOc3cc(OC)ccc3C2)c1O ZINC000376765288 458386667 /nfs/dbraw/zinc/38/66/67/458386667.db2.gz POJHWUQNGNPROA-UHFFFAOYSA-N 0 1 329.396 3.194 20 10 EGCDMN CCN(CC)[C@@H](C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000729257537 574833360 /nfs/dbraw/zinc/83/33/60/574833360.db2.gz JTHFXAMBFIKUCU-HXUWFJFHSA-N 0 1 339.483 3.452 20 10 EGCDMN O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)C1=CC(=O)CS1 ZINC000732274326 575252439 /nfs/dbraw/zinc/25/24/39/575252439.db2.gz FMEUPXLMISPMLS-ZDUSSCGKSA-N 0 1 329.381 3.434 20 10 EGCDMN C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H]1CCCOC1 ZINC000737454325 576231611 /nfs/dbraw/zinc/23/16/11/576231611.db2.gz LBKUGQUWJLUIEV-ZDUSSCGKSA-N 0 1 329.396 3.102 20 10 EGCDMN CCc1ccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1 ZINC000743395645 576808254 /nfs/dbraw/zinc/80/82/54/576808254.db2.gz XNIVDUXNFOYBPZ-UHFFFAOYSA-N 0 1 340.423 3.006 20 10 EGCDMN CC(C)OC(=O)[C@H](C)[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000826990643 601895571 /nfs/dbraw/zinc/89/55/71/601895571.db2.gz WRYLEKOWXCVSKC-LBPRGKRZSA-N 0 1 345.395 3.016 20 10 EGCDMN CC(C)OC(=O)[C@H](C)[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000826990643 601895575 /nfs/dbraw/zinc/89/55/75/601895575.db2.gz WRYLEKOWXCVSKC-LBPRGKRZSA-N 0 1 345.395 3.016 20 10 EGCDMN CC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cc(Br)ccc1[O-] ZINC000397905602 1297706942 /nfs/dbraw/zinc/70/69/42/1297706942.db2.gz XFWZCIMIQDWXLF-CYBMUJFWSA-N 0 1 327.266 3.290 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCOCc1ccccc1 ZINC000691489999 1298133504 /nfs/dbraw/zinc/13/35/04/1298133504.db2.gz UZLSCCMCVGWLPZ-UHFFFAOYSA-N 0 1 336.229 3.461 20 10 EGCDMN Cc1ccccc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000063824270 1292024957 /nfs/dbraw/zinc/02/49/57/1292024957.db2.gz DQJVNWTVHWTERZ-PTNGSMBKSA-N 0 1 332.494 3.290 20 10 EGCDMN COc1cccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000084963948 1292717779 /nfs/dbraw/zinc/71/77/79/1292717779.db2.gz JKOMNVCAMUJNFB-UHFFFAOYSA-N 0 1 330.403 3.165 20 10 EGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OC1CCC1 ZINC000830628253 1292742440 /nfs/dbraw/zinc/74/24/40/1292742440.db2.gz UPUKUBCHXJHDLE-CQSZACIVSA-N 0 1 338.835 3.289 20 10 EGCDMN C[N@@H+](CCC(=O)OC(C)(C)C)Cc1cccc(Br)c1[O-] ZINC000093686677 1292927154 /nfs/dbraw/zinc/92/71/54/1292927154.db2.gz UHQCKOABISPJFW-UHFFFAOYSA-N 0 1 344.249 3.318 20 10 EGCDMN CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000093742261 1292929757 /nfs/dbraw/zinc/92/97/57/1292929757.db2.gz IAUXRHFZNBJAHX-ZDUSSCGKSA-N 0 1 341.293 3.318 20 10 EGCDMN COC(=O)C[N@@H+](Cc1cccc(Br)c1[O-])C1CCCC1 ZINC000093707462 1292930691 /nfs/dbraw/zinc/93/06/91/1292930691.db2.gz ZSWQPECMGZUTCP-UHFFFAOYSA-N 0 1 342.233 3.072 20 10 EGCDMN C[N@@H+](CCc1nccs1)Cc1cccc(Br)c1[O-] ZINC000093843960 1292934603 /nfs/dbraw/zinc/93/46/03/1292934603.db2.gz PRWDYAVDWIQRFT-UHFFFAOYSA-N 0 1 327.247 3.286 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)Cc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000834895683 1293167461 /nfs/dbraw/zinc/16/74/61/1293167461.db2.gz CQMPYQYVKWVKOP-WDEREUQCSA-N 0 1 338.249 3.170 20 10 EGCDMN C[C@@H](NCc1cnc(C2CC2)o1)c1ccc(N2CCOCC2)cc1 ZINC000834903703 1293171104 /nfs/dbraw/zinc/17/11/04/1293171104.db2.gz KKSUYBGKEJWYPI-CQSZACIVSA-N 0 1 327.428 3.239 20 10 EGCDMN COc1ccc(OCC[N@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000835024592 1293190474 /nfs/dbraw/zinc/19/04/74/1293190474.db2.gz INLFDIIHAZEQRC-UHFFFAOYSA-N 0 1 338.407 3.460 20 10 EGCDMN COc1ccc(OCC[N@@H+](C)Cc2c([O-])ccc3ccncc32)cc1 ZINC000835024592 1293190477 /nfs/dbraw/zinc/19/04/77/1293190477.db2.gz INLFDIIHAZEQRC-UHFFFAOYSA-N 0 1 338.407 3.460 20 10 EGCDMN CCOc1ccc(O)c(CN2CCc3c(cccc3C(=O)OC)C2)c1 ZINC000835068481 1293198566 /nfs/dbraw/zinc/19/85/66/1293198566.db2.gz HMQFEDWAWFPTER-UHFFFAOYSA-N 0 1 341.407 3.136 20 10 EGCDMN C[N@@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)c(F)cc1[O-] ZINC000835076903 1293202509 /nfs/dbraw/zinc/20/25/09/1293202509.db2.gz FOPURGRVFKMJLL-UHFFFAOYSA-N 0 1 332.803 3.141 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000119261006 1293262060 /nfs/dbraw/zinc/26/20/60/1293262060.db2.gz QXLLWEFPOMFXFW-NSHDSACASA-N 0 1 326.824 3.145 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000119261006 1293262063 /nfs/dbraw/zinc/26/20/63/1293262063.db2.gz QXLLWEFPOMFXFW-NSHDSACASA-N 0 1 326.824 3.145 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000119261006 1293262068 /nfs/dbraw/zinc/26/20/68/1293262068.db2.gz QXLLWEFPOMFXFW-NSHDSACASA-N 0 1 326.824 3.145 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000119261006 1293262071 /nfs/dbraw/zinc/26/20/71/1293262071.db2.gz QXLLWEFPOMFXFW-NSHDSACASA-N 0 1 326.824 3.145 20 10 EGCDMN CC[C@H]([NH2+]CCCn1cccn1)c1cc(Br)ccc1[O-] ZINC000126267816 1293528934 /nfs/dbraw/zinc/52/89/34/1293528934.db2.gz XDKMAXWYEHQJTQ-AWEZNQCLSA-N 0 1 338.249 3.482 20 10 EGCDMN Oc1ccccc1CN(CCOC[C@H]1CCCO1)Cc1ccco1 ZINC000152293276 1293962763 /nfs/dbraw/zinc/96/27/63/1293962763.db2.gz HLDCDKYHHABRDM-GOSISDBHSA-N 0 1 331.412 3.183 20 10 EGCDMN CN(Cc1nccn1C(F)F)Cc1cccc(Br)c1O ZINC000155004902 1294080021 /nfs/dbraw/zinc/08/00/21/1294080021.db2.gz MZOGYFPUJHMQJJ-UHFFFAOYSA-N 0 1 346.175 3.378 20 10 EGCDMN COc1cc(C)cc(CN2CCO[C@](C)(c3ccccc3)C2)c1O ZINC000164498240 1294349479 /nfs/dbraw/zinc/34/94/79/1294349479.db2.gz ICIIZIZSUFNSMN-FQEVSTJZSA-N 0 1 327.424 3.457 20 10 EGCDMN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(F)cc2nc[nH]c21 ZINC000174513898 1294505107 /nfs/dbraw/zinc/50/51/07/1294505107.db2.gz GVLVVFHBLBTGNF-UHFFFAOYSA-N 0 1 339.370 3.216 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]2C[NH+]2CCCC2)c1[O-] ZINC000177124511 1294655459 /nfs/dbraw/zinc/65/54/59/1294655459.db2.gz UONHSOIYNBVJGP-INIZCTEOSA-N 0 1 336.863 3.308 20 10 EGCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000177154125 1294656482 /nfs/dbraw/zinc/65/64/82/1294656482.db2.gz BIGFGJXWTJSLTE-MRXNPFEDSA-N 0 1 330.815 3.283 20 10 EGCDMN COc1ccc(O)c([C@H](C)NCc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000182314244 1295033516 /nfs/dbraw/zinc/03/35/16/1295033516.db2.gz MLPKNQRAFDKUQB-NSHDSACASA-N 0 1 332.356 3.168 20 10 EGCDMN COc1cccc(CN2CCN([C@@H](C)c3ccsc3)CC2)c1O ZINC000184972467 1295232207 /nfs/dbraw/zinc/23/22/07/1295232207.db2.gz FAIRJLJHXSDUGZ-AWEZNQCLSA-N 0 1 332.469 3.341 20 10 EGCDMN Cn1c2ccccc2nc1C(C)(C)NCc1cc2c(cc1O)OCO2 ZINC000185639026 1295275908 /nfs/dbraw/zinc/27/59/08/1295275908.db2.gz UIXDOTLAEJHHHE-UHFFFAOYSA-N 0 1 339.395 3.033 20 10 EGCDMN CC[C@@H]([NH2+]CC1(CO)CCC1)c1cc(Br)ccc1[O-] ZINC000186397315 1295323980 /nfs/dbraw/zinc/32/39/80/1295323980.db2.gz ULUIVRXUKLWEAI-CYBMUJFWSA-N 0 1 328.250 3.358 20 10 EGCDMN CCN(CC[NH2+]Cc1c([O-])cccc1Cl)C(=O)OC(C)(C)C ZINC000226647335 1296140404 /nfs/dbraw/zinc/14/04/04/1296140404.db2.gz XVXYXJYCNJCUIE-UHFFFAOYSA-N 0 1 328.840 3.392 20 10 EGCDMN COc1cccc(CC[NH2+]Cc2cc(Br)ccc2[O-])c1 ZINC000227437908 1296143236 /nfs/dbraw/zinc/14/32/36/1296143236.db2.gz 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3.449 20 10 EGCDMN CCOc1ccc(NCc2ccc(N3CCN(C)CC3)cc2)cc1 ZINC001167431216 1383631559 /nfs/dbraw/zinc/63/15/59/1383631559.db2.gz MVPWNSSTTQHGDF-UHFFFAOYSA-N 0 1 325.456 3.449 20 10 EGCDMN COc1ccc2c(c1)C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])C2 ZINC001168244116 1383852845 /nfs/dbraw/zinc/85/28/45/1383852845.db2.gz MJXJDOMPWWCKPS-OAHLLOKOSA-N 0 1 348.240 3.420 20 10 EGCDMN CN1CCCC[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001178691112 1386278590 /nfs/dbraw/zinc/27/85/90/1386278590.db2.gz LHADQZOVKWPTGL-HBPBUEFCSA-N 0 1 338.415 3.090 20 10 EGCDMN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001337871552 1389465258 /nfs/dbraw/zinc/46/52/58/1389465258.db2.gz LYBMMGWCKASCIN-GFCCVEGCSA-N 0 1 337.826 3.373 20 10 EGCDMN COCn1ncc(C)c1C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC001333666441 1390369116 /nfs/dbraw/zinc/36/91/16/1390369116.db2.gz OMRRSPYDPVJAPB-UHFFFAOYSA-N 0 1 328.460 3.026 20 10 EGCDMN COCn1ncc(C)c1CN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001333666441 1390369118 /nfs/dbraw/zinc/36/91/18/1390369118.db2.gz OMRRSPYDPVJAPB-UHFFFAOYSA-N 0 1 328.460 3.026 20 10 EGCDMN C[C@H]([NH2+]CCCSc1nccs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824594288 1443909790 /nfs/dbraw/zinc/90/97/90/1443909790.db2.gz ZRPASPAJHQPQCA-NSHDSACASA-N 0 1 346.485 3.156 20 10 EGCDMN COc1cc(C[N@H+]2C[C@H](C(=O)[O-])CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001594055743 958032459 /nfs/dbraw/zinc/03/24/59/958032459.db2.gz ACVWLKOIELJUOK-CHWSQXEVSA-N 0 1 335.444 3.383 20 10 EGCDMN COc1cc(C[N@H+]2C[C@@H](C(=O)[O-])CC[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC001594055745 958032776 /nfs/dbraw/zinc/03/27/76/958032776.db2.gz ACVWLKOIELJUOK-OLZOCXBDSA-N 0 1 335.444 3.383 20 10 EGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H]1C(=O)[O-] ZINC000843041334 969234863 /nfs/dbraw/zinc/23/48/63/969234863.db2.gz QNIXDTGJDSPRME-RISCZKNCSA-N 0 1 344.377 3.314 20 10 EGCDMN CCN(C)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)cc1 ZINC000849344431 979496323 /nfs/dbraw/zinc/49/63/23/979496323.db2.gz 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ZINC000111236488 454858942 /nfs/dbraw/zinc/85/89/42/454858942.db2.gz NXPCXEZFBRZNRD-ZDUSSCGKSA-N 0 1 332.831 3.182 20 10 EGCDMN COC[C@H](NCc1cc(Br)ccc1O)c1ccco1 ZINC000177576826 454879719 /nfs/dbraw/zinc/87/97/19/454879719.db2.gz TWBOUWANHKEOSU-LBPRGKRZSA-N 0 1 326.190 3.225 20 10 EGCDMN COc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2[O-])ccn1 ZINC000184974093 455480585 /nfs/dbraw/zinc/48/05/85/455480585.db2.gz VFIOFEIIYAUTJW-SNVBAGLBSA-N 0 1 337.217 3.409 20 10 EGCDMN COc1ccc(CN(C)Cc2ccc(N(C)C)cc2)c(OC)c1OC ZINC000155180847 454971582 /nfs/dbraw/zinc/97/15/82/454971582.db2.gz CCBDVMYHUQBECE-UHFFFAOYSA-N 0 1 344.455 3.410 20 10 EGCDMN c1cc(N2CCOCC2)ccc1CN1CCOC2(CCCCC2)C1 ZINC000179935030 455101649 /nfs/dbraw/zinc/10/16/49/455101649.db2.gz GIVVVPUPOFMRPV-UHFFFAOYSA-N 0 1 330.472 3.058 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CC[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278212342 455787956 /nfs/dbraw/zinc/78/79/56/455787956.db2.gz KJFMSHMMSZALHW-CQSZACIVSA-N 0 1 328.368 3.299 20 10 EGCDMN 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QADFJBSUOIODRO-UHFFFAOYSA-N 0 1 325.412 3.276 20 10 EGCDMN Cc1cc(C(=O)N[C@@H](C)c2n[nH]c(C)n2)c(C)n1-c1cccc(C)c1 ZINC000286258303 456010038 /nfs/dbraw/zinc/01/00/38/456010038.db2.gz FKTJWSUYFGBHJP-ZDUSSCGKSA-N 0 1 337.427 3.320 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000287292221 456065680 /nfs/dbraw/zinc/06/56/80/456065680.db2.gz DGAGPKBICWCJSJ-WOPDTQHZSA-N 0 1 328.250 3.478 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000287387536 456068614 /nfs/dbraw/zinc/06/86/14/456068614.db2.gz INYVFXJVRDIYFN-SRVKXCTJSA-N 0 1 328.250 3.478 20 10 EGCDMN CCN(Cc1c(C)nc2sc(C)nn12)Cc1ccc(N(C)C)cc1 ZINC000270979638 456085441 /nfs/dbraw/zinc/08/54/41/456085441.db2.gz CDBRRQVGLLZRTC-UHFFFAOYSA-N 0 1 343.500 3.496 20 10 EGCDMN CCC[C@]1(CO)CC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000288677423 456102987 /nfs/dbraw/zinc/10/29/87/456102987.db2.gz CNEREMKVGIVVAZ-KRWDZBQOSA-N 0 1 325.836 3.233 20 10 EGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000288677423 456102995 /nfs/dbraw/zinc/10/29/95/456102995.db2.gz CNEREMKVGIVVAZ-KRWDZBQOSA-N 0 1 325.836 3.233 20 10 EGCDMN CN(C)c1ncc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000271031925 456105242 /nfs/dbraw/zinc/10/52/42/456105242.db2.gz YWYLQNAEMUONRC-OAHLLOKOSA-N 0 1 347.484 3.096 20 10 EGCDMN CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1cc(Br)ccc1[O-] ZINC000229549216 456129510 /nfs/dbraw/zinc/12/95/10/456129510.db2.gz OQRGPDDYLOUEDD-GXSJLCMTSA-N 0 1 342.155 3.119 20 10 EGCDMN C[C@@H](NCc1cc(-c2ccccc2)ccc1O)c1nnc2n1CCC2 ZINC000263680529 456191286 /nfs/dbraw/zinc/19/12/86/456191286.db2.gz MKCSHQGMCOLBDY-CQSZACIVSA-N 0 1 334.423 3.448 20 10 EGCDMN CC[C@H](NCc1ccc(OC)nc1OC)c1ccc(N(C)C)cc1 ZINC000290019085 456217364 /nfs/dbraw/zinc/21/73/64/456217364.db2.gz CFGAZKWGFXZQHL-KRWDZBQOSA-N 0 1 329.444 3.406 20 10 EGCDMN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000274953221 456268392 /nfs/dbraw/zinc/26/83/92/456268392.db2.gz VLIPQWSZAINXDT-AWEZNQCLSA-N 0 1 331.847 3.422 20 10 EGCDMN Fc1ccc2c(C3=CCN(c4ncnc5[nH]cnc54)CC3)c[nH]c2c1 ZINC000301249928 456833471 /nfs/dbraw/zinc/83/34/71/456833471.db2.gz PGEPJVAZWRSTBS-UHFFFAOYSA-N 0 1 334.358 3.267 20 10 EGCDMN Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000364469806 457615901 /nfs/dbraw/zinc/61/59/01/457615901.db2.gz AIKDYLYJVITYCO-CYBMUJFWSA-N 0 1 339.798 3.098 20 10 EGCDMN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000529392053 459828383 /nfs/dbraw/zinc/82/83/83/459828383.db2.gz MTYAXLIFJUZSFN-VXFNFUGZSA-N 0 1 332.227 3.375 20 10 EGCDMN CC(C)(C)OC(=O)C1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000727429009 574667155 /nfs/dbraw/zinc/66/71/55/574667155.db2.gz VZTYCTMDNATCAE-UHFFFAOYSA-N 0 1 342.439 3.494 20 10 EGCDMN CCOC[C@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737164274 576127330 /nfs/dbraw/zinc/12/73/30/576127330.db2.gz IGBYERUCPHEVKZ-AWEZNQCLSA-N 0 1 343.423 3.492 20 10 EGCDMN C[N@H+](CC(=O)OC(C)(C)C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000737404096 576222011 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CCN(CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000744382739 576826787 /nfs/dbraw/zinc/82/67/87/576826787.db2.gz BNJGCMCSHAMZEN-UHFFFAOYSA-N 0 1 329.444 3.117 20 10 EGCDMN COc1ccc(CN[C@@H](C)c2c(C)noc2C)cc1Cn1cccn1 ZINC000873049670 1297246367 /nfs/dbraw/zinc/24/63/67/1297246367.db2.gz JZTGNFBWBMGFPJ-ZDUSSCGKSA-N 0 1 340.427 3.396 20 10 EGCDMN CN1CCC(N2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1 ZINC000063824218 1292025372 /nfs/dbraw/zinc/02/53/72/1292025372.db2.gz ILPWYCOOPRJQSO-UVTDQMKNSA-N 0 1 336.457 3.121 20 10 EGCDMN Cn1c(CC[NH2+]Cc2c([O-])cccc2Cl)nc2c1cccc2F ZINC000113358994 1293147850 /nfs/dbraw/zinc/14/78/50/1293147850.db2.gz FLRNRFNCLWJGGP-UHFFFAOYSA-N 0 1 333.794 3.404 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc2ccccc2c1[O-] ZINC000834851262 1293157935 /nfs/dbraw/zinc/15/79/35/1293157935.db2.gz WANUTPKDJVZUCV-RDJZCZTQSA-N 0 1 328.456 3.043 20 10 EGCDMN COCCN(Cc1c(C)nn(C)c1C)Cc1cc(C)c(C)cc1O ZINC000835074031 1293200765 /nfs/dbraw/zinc/20/07/65/1293200765.db2.gz 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C[C@H]1CC[N@@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)[C@H](C(=O)[O-])C1 ZINC000902014913 980691932 /nfs/dbraw/zinc/69/19/32/980691932.db2.gz FWZHRRFQGNVWPL-NHYWBVRUSA-N 0 1 344.377 3.457 20 10 EGCDMN CC[C@](C)(CC(=O)[O-])[NH2+]Cc1cc(C)cc(Br)c1O ZINC001594824904 981983068 /nfs/dbraw/zinc/98/30/68/981983068.db2.gz GZTJBYBNZYSDKW-CQSZACIVSA-N 0 1 330.222 3.196 20 10 EGCDMN CCC[N@@H+](Cc1ccccc1O)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595891233 982924955 /nfs/dbraw/zinc/92/49/55/982924955.db2.gz PQLKPEOMWBHTPZ-UHFFFAOYSA-N 0 1 344.367 3.411 20 10 EGCDMN COc1ccc(N2CCC[N@H+]([C@@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC001599586973 993626864 /nfs/dbraw/zinc/62/68/64/993626864.db2.gz ZJSSHNVFZZWTEJ-QGZVFWFLSA-N 0 1 346.452 3.095 20 10 EGCDMN COc1ccc(O)c(C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC001599598746 993784803 /nfs/dbraw/zinc/78/48/03/993784803.db2.gz SCGWQOPOWIEWDL-IRXDYDNUSA-N 0 1 327.380 3.191 20 10 EGCDMN C[C@@H](Sc1nccs1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000052914444 453849275 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COCOc1ccc(OC)cc1CNCc1ccc(N(C)C)c(F)c1 ZINC000164382888 454881228 /nfs/dbraw/zinc/88/12/28/454881228.db2.gz WTDCJPPEUPHCQU-UHFFFAOYSA-N 0 1 348.418 3.173 20 10 EGCDMN Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000191464027 455487558 /nfs/dbraw/zinc/48/75/58/455487558.db2.gz BXLHZAJGLLRRCW-GFCCVEGCSA-N 0 1 337.826 3.373 20 10 EGCDMN CC[C@@H]([NH2+]CCCC(=O)N(C)C)c1cc(Br)ccc1[O-] ZINC000155386614 454995755 /nfs/dbraw/zinc/99/57/55/454995755.db2.gz GAZVNLULWDJRDK-CYBMUJFWSA-N 0 1 343.265 3.064 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000179927206 455100196 /nfs/dbraw/zinc/10/01/96/455100196.db2.gz GFAZDSOUADFTTO-LBPRGKRZSA-N 0 1 340.851 3.392 20 10 EGCDMN C[C@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000185312807 455537836 /nfs/dbraw/zinc/53/78/36/455537836.db2.gz DCASBHYZYXVPJQ-NSHDSACASA-N 0 1 338.249 3.172 20 10 EGCDMN CN(C)Cc1ccsc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000268195502 455616001 /nfs/dbraw/zinc/61/60/01/455616001.db2.gz 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ZINC000295417414 455848817 /nfs/dbraw/zinc/84/88/17/455848817.db2.gz DSHRZCHWEDTRBF-INIZCTEOSA-N 0 1 332.488 3.301 20 10 EGCDMN Oc1cccc2c1[C@H](NCc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189385 455875463 /nfs/dbraw/zinc/87/54/63/455875463.db2.gz YMUZLCHOQOQLRN-GFCCVEGCSA-N 0 1 348.328 3.231 20 10 EGCDMN Cc1nc([C@@H](C)NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000286230033 456004961 /nfs/dbraw/zinc/00/49/61/456004961.db2.gz CPMRRYQUBKXBGN-LLVKDONJSA-N 0 1 341.390 3.151 20 10 EGCDMN Nc1ccc(CC(=O)Nc2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000263233575 456113567 /nfs/dbraw/zinc/11/35/67/456113567.db2.gz CTEUCTCOQJFBHK-QGZVFWFLSA-N 0 1 336.395 3.178 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000363851288 457454242 /nfs/dbraw/zinc/45/42/42/457454242.db2.gz QLMVUULPDAJBAH-ZDUSSCGKSA-N 0 1 325.836 3.063 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c1[O-] ZINC000370724565 457707435 /nfs/dbraw/zinc/70/74/35/457707435.db2.gz YXBLFNCOJYUIDY-LBPRGKRZSA-N 0 1 340.807 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O=C(Nc1cccc(Cn2cccn2)c1)c1cc(O)c(O)c(Cl)c1 ZINC001193624406 1368076442 /nfs/dbraw/zinc/07/64/42/1368076442.db2.gz CTXWBLIVDSXBQQ-UHFFFAOYSA-N 0 1 343.770 3.248 20 10 EGCDMN CCn1ncc2c1CN(Cc1ccccc1O)C[C@@H]2COCC1CC1 ZINC001203551277 1370167185 /nfs/dbraw/zinc/16/71/85/1370167185.db2.gz AERVGTCNBJTXNV-QGZVFWFLSA-N 0 1 341.455 3.135 20 10 EGCDMN COc1ccc(CN2CCN(c3ccc4ccccc4n3)CC2)c(O)c1 ZINC001203629338 1370192760 /nfs/dbraw/zinc/19/27/60/1370192760.db2.gz WWFGYDKNPBFJLS-UHFFFAOYSA-N 0 1 349.434 3.271 20 10 EGCDMN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1nnnn1-c1ccccc1 ZINC001116568085 1370938281 /nfs/dbraw/zinc/93/82/81/1370938281.db2.gz MROJVAJXPVQFCH-DZGCQCFKSA-N 0 1 335.411 3.014 20 10 EGCDMN COc1cnc(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)c(C)c1 ZINC001216977503 1373373701 /nfs/dbraw/zinc/37/37/01/1373373701.db2.gz SENFVBXLXQFSPB-UHFFFAOYSA-N 0 1 333.731 3.180 20 10 EGCDMN CCC[C@@H](Oc1c(O)c(C(=O)OC)sc1C(=O)OC)C(C)C ZINC001227620930 1375455012 /nfs/dbraw/zinc/45/50/12/1375455012.db2.gz 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[O-]c1c(C[N@H+]2C[C@H]3CCN(Cc4ccccc4)[C@@H]3C2)ccc(F)c1F ZINC001233077448 1376563847 /nfs/dbraw/zinc/56/38/47/1376563847.db2.gz PDQOWLGNBBFETQ-CRAIPNDOSA-N 0 1 344.405 3.377 20 10 EGCDMN CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001233078616 1376564248 /nfs/dbraw/zinc/56/42/48/1376564248.db2.gz AUQZAGFQDNKBRL-LBPRGKRZSA-N 0 1 327.371 3.367 20 10 EGCDMN CC[C@@H](C)[N@@H+](C)Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233306874 1376607861 /nfs/dbraw/zinc/60/78/61/1376607861.db2.gz HSUDMSMGUCVPIS-SECBINFHSA-N 0 1 330.222 3.172 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN(C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236208224 1376941617 /nfs/dbraw/zinc/94/16/17/1376941617.db2.gz UFTSKJUIHVSGGV-OAHLLOKOSA-N 0 1 327.266 3.037 20 10 EGCDMN NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1c([O-])cccc1F ZINC001137838978 1377627202 /nfs/dbraw/zinc/62/72/02/1377627202.db2.gz MUKYLPXFSWVIJI-HKUYNNGSSA-N 0 1 342.414 3.155 20 10 EGCDMN O=C(C1CCCCC1)N1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137839979 1377628349 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COc1ccc2c(ccnc2NCCc2cc(O)c(O)cc2O)c1 ZINC001157240326 1380820943 /nfs/dbraw/zinc/82/09/43/1380820943.db2.gz WDYCCCOKCMQQSG-UHFFFAOYSA-N 0 1 326.352 3.015 20 10 EGCDMN Cc1c(C(=O)N2CCNC2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001161418483 1382403485 /nfs/dbraw/zinc/40/34/85/1382403485.db2.gz BKBGKDPISSLBOI-UHFFFAOYSA-N 0 1 331.419 3.456 20 10 EGCDMN Oc1c(CNc2cccc3[nH]nnc32)cc(Cl)c2cccnc12 ZINC001168523215 1383929550 /nfs/dbraw/zinc/92/95/50/1383929550.db2.gz LVXBMVNPAUTEOD-UHFFFAOYSA-N 0 1 325.759 3.477 20 10 EGCDMN C[C@@]1([NH2+]Cc2c([O-])cccc2Br)CCO[C@@H]1C1CC1 ZINC001329007752 1388926766 /nfs/dbraw/zinc/92/67/66/1388926766.db2.gz DDKDDFXTSSVBDN-HUUCEWRRSA-N 0 1 326.234 3.202 20 10 EGCDMN C[NH+]1CCN(c2ccc(C[N@@H+]3CC(C)(C)[C@@H]3C3CC3)cc2F)CC1 ZINC001343552192 1390722232 /nfs/dbraw/zinc/72/22/32/1390722232.db2.gz LCUFYLVVFGDSJN-IBGZPJMESA-N 0 1 331.479 3.198 20 10 EGCDMN O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1ccc(N2CCCCC2)cc1 ZINC000902006518 980683893 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1317589602 /nfs/dbraw/zinc/58/96/02/1317589602.db2.gz AOMKKOUYUCKKGS-UHFFFAOYSA-N 0 1 327.167 3.038 20 10 EGCDMN CCOc1ccc(O)c(CN(CC(=O)N2CCCCCC2)C(C)C)c1 ZINC000809714312 1317872586 /nfs/dbraw/zinc/87/25/86/1317872586.db2.gz DYVZTXQLWIYQPX-UHFFFAOYSA-N 0 1 348.487 3.404 20 10 EGCDMN CCN(CC)c1ccc(CN(CCCO)Cc2ccccn2)cc1F ZINC000809746235 1317889186 /nfs/dbraw/zinc/88/91/86/1317889186.db2.gz OLTYIWFFFZYZSN-UHFFFAOYSA-N 0 1 345.462 3.452 20 10 EGCDMN CC[C@H]([NH2+]C[C@](C)(O)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219272 1317978548 /nfs/dbraw/zinc/97/85/48/1317978548.db2.gz PGJZQVRGZXERLD-DZGCQCFKSA-N 0 1 335.366 3.239 20 10 EGCDMN CC[C@H](NCc1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1O ZINC000810209445 1317975787 /nfs/dbraw/zinc/97/57/87/1317975787.db2.gz DJBGJCYNDUTESY-LBPRGKRZSA-N 0 1 340.349 3.190 20 10 EGCDMN CC[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208303 1317975940 /nfs/dbraw/zinc/97/59/40/1317975940.db2.gz AQFRFLQFIWSMLB-CHWSQXEVSA-N 0 1 330.350 3.120 20 10 EGCDMN CC[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213880 1317978083 /nfs/dbraw/zinc/97/80/83/1317978083.db2.gz YOXDVRNNDICUII-SMDDNHRTSA-N 0 1 344.377 3.463 20 10 EGCDMN CC[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240970 1317983803 /nfs/dbraw/zinc/98/38/03/1317983803.db2.gz JVKKRECCJYBQOG-AMXDTQDGSA-N 0 1 335.391 3.363 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc(O)cc1O ZINC000813685738 1318619870 /nfs/dbraw/zinc/61/98/70/1318619870.db2.gz QAWZJYVMCZRBAU-UHFFFAOYSA-N 0 1 328.151 3.040 20 10 EGCDMN COCC1(C[NH2+][C@H](C)c2cc(Cl)cc(C)c2[O-])CCOCC1 ZINC000813875029 1318648557 /nfs/dbraw/zinc/64/85/57/1318648557.db2.gz JSTVYUZDGFGCEZ-CYBMUJFWSA-N 0 1 327.852 3.448 20 10 EGCDMN CCS(=O)(=O)C[C@H](C)NCc1cc(C)n(-c2ccccc2)c1C ZINC000858542584 1328791369 /nfs/dbraw/zinc/79/13/69/1328791369.db2.gz MJDUYFOUMRZSPX-AWEZNQCLSA-N 0 1 334.485 3.007 20 10 EGCDMN CN(C)c1ccc(CN[C@@H](c2nnc[nH]2)c2ccc(F)cc2)cc1F ZINC000815572093 1319017103 /nfs/dbraw/zinc/01/71/03/1319017103.db2.gz UTRYWYKPNQSGHW-QGZVFWFLSA-N 0 1 343.381 3.028 20 10 EGCDMN Oc1c(CNCc2nncn2-c2ccccc2)ccc2ccccc21 ZINC000816535263 1319177493 /nfs/dbraw/zinc/17/74/93/1319177493.db2.gz KKGVWWHIJMYENQ-UHFFFAOYSA-N 0 1 330.391 3.416 20 10 EGCDMN CC(C)(C)NC(=O)N1CCN(Cc2ccc3ccccc3c2O)CC1 ZINC000816572629 1319185376 /nfs/dbraw/zinc/18/53/76/1319185376.db2.gz XVDHYUVJWXGHKL-UHFFFAOYSA-N 0 1 341.455 3.171 20 10 EGCDMN CCCN1C[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1=O ZINC000817589120 1319408588 /nfs/dbraw/zinc/40/85/88/1319408588.db2.gz MAVXNCHZIHIHPD-HUUCEWRRSA-N 0 1 326.440 3.455 20 10 EGCDMN Oc1c(F)cc(Cl)cc1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824805579 1320286790 /nfs/dbraw/zinc/28/67/90/1320286790.db2.gz LZNBCZIURCAXSF-UHFFFAOYSA-N 0 1 339.773 3.041 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000824805579 1320286793 /nfs/dbraw/zinc/28/67/93/1320286793.db2.gz LZNBCZIURCAXSF-UHFFFAOYSA-N 0 1 339.773 3.041 20 10 EGCDMN 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QKCSWCJKGLQYIH-DOMZBBRYSA-N 0 1 339.277 3.213 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000825943709 1320373648 /nfs/dbraw/zinc/37/36/48/1320373648.db2.gz ISGSBMNSXMMKLR-GFCCVEGCSA-N 0 1 334.213 3.421 20 10 EGCDMN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000826017845 1320378756 /nfs/dbraw/zinc/37/87/56/1320378756.db2.gz WPXPTFSYJAFDDL-OAHLLOKOSA-N 0 1 328.250 3.186 20 10 EGCDMN COC(=O)[C@@]1(C)CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839666356 1320956486 /nfs/dbraw/zinc/95/64/86/1320956486.db2.gz LIXIFLRCKZJNBO-KRWDZBQOSA-N 0 1 339.819 3.023 20 10 EGCDMN COC(=O)[C@@]1(C)CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000839666356 1320956493 /nfs/dbraw/zinc/95/64/93/1320956493.db2.gz LIXIFLRCKZJNBO-KRWDZBQOSA-N 0 1 339.819 3.023 20 10 EGCDMN COc1cc(Cl)cc(CN2C[C@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840957203 1321186533 /nfs/dbraw/zinc/18/65/33/1321186533.db2.gz JESUHIVQJPICFL-HZPDHXFCSA-N 0 1 333.815 3.362 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1NCCc2ccccc21 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[O-]c1cccc(Cl)c1C[N@H+]1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 ZINC001140343980 1378050427 /nfs/dbraw/zinc/05/04/27/1378050427.db2.gz BNEABUOGDUUPAL-RDTXWAMCSA-N 0 1 337.847 3.206 20 10 EGCDMN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001140345808 1378050586 /nfs/dbraw/zinc/05/05/86/1378050586.db2.gz YTJIRUSMTSEXNK-ZSOGYDGISA-N 0 1 348.874 3.172 20 10 EGCDMN O=C(NC1CCC1)[C@H]1C[C@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@H]2C1 ZINC001140345808 1378050590 /nfs/dbraw/zinc/05/05/90/1378050590.db2.gz YTJIRUSMTSEXNK-ZSOGYDGISA-N 0 1 348.874 3.172 20 10 EGCDMN [O-]c1cc(Cl)ccc1C[N@@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140465964 1378068326 /nfs/dbraw/zinc/06/83/26/1378068326.db2.gz WXLKSGBGBJITCQ-UHFFFAOYSA-N 0 1 329.831 3.314 20 10 EGCDMN [O-]c1cc(Cl)ccc1C[N@H+]1CCc2ncnc(C3CC3)c2CC1 ZINC001140465964 1378068330 /nfs/dbraw/zinc/06/83/30/1378068330.db2.gz WXLKSGBGBJITCQ-UHFFFAOYSA-N 0 1 329.831 3.314 20 10 EGCDMN CC(C)(C)OC(=O)C[C@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140584061 1378090322 /nfs/dbraw/zinc/09/03/22/1378090322.db2.gz FEYDXBBLKRBDER-LLVKDONJSA-N 0 1 327.371 3.224 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001140583263 1378090483 /nfs/dbraw/zinc/09/04/83/1378090483.db2.gz CBKQLSITOZBARW-UHFFFAOYSA-N 0 1 334.366 3.247 20 10 EGCDMN O=C1C[C@]2(CN1C1CCCC1)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001273266123 1378093359 /nfs/dbraw/zinc/09/33/59/1378093359.db2.gz QHTLYZILUHSCDA-FQEVSTJZSA-N 0 1 346.446 3.431 20 10 EGCDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C(N)=O)c2ccccc2)c(O)c1 ZINC001140951097 1378189711 /nfs/dbraw/zinc/18/97/11/1378189711.db2.gz YUWLDQDGBFQBMX-QUCCMNQESA-N 0 1 338.451 3.324 20 10 EGCDMN COc1cccc(CCC[N@@H+](C)Cc2c(O)cc(OC)cc2OC)c1 ZINC001141028964 1378212789 /nfs/dbraw/zinc/21/27/89/1378212789.db2.gz FRPPOZPAGUDSPA-UHFFFAOYSA-N 0 1 345.439 3.483 20 10 EGCDMN CN1CCOc2cc(CN3CC[C@@](CF)(C(F)(F)F)C3)ccc21 ZINC001141139795 1378247495 /nfs/dbraw/zinc/24/74/95/1378247495.db2.gz BOXZOBYCGUXCMX-HNNXBMFYSA-N 0 1 332.341 3.239 20 10 EGCDMN O=C(c1ccccc1F)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162924 1378256333 /nfs/dbraw/zinc/25/63/33/1378256333.db2.gz LAYJEGJIQJRVNX-UHFFFAOYSA-N 0 1 329.371 3.332 20 10 EGCDMN COc1ccc(CC[N@@H+](C)Cc2cc(F)c(F)cc2[O-])cc1OC ZINC001142508566 1378449927 /nfs/dbraw/zinc/44/99/27/1378449927.db2.gz CYZMKKNVXKDZKO-UHFFFAOYSA-N 0 1 337.366 3.362 20 10 EGCDMN Cc1cc(N2CCN(Cc3cccc(C(C)(C)C)c3O)CC2)ncn1 ZINC001143117048 1378543720 /nfs/dbraw/zinc/54/37/20/1378543720.db2.gz QMJLRLUGDYZWFU-UHFFFAOYSA-N 0 1 340.471 3.110 20 10 EGCDMN CCc1c(NC(=O)C2=S=C(C)C=C2C)[nH]nc1-c1ccncc1 ZINC001143793040 1378647452 /nfs/dbraw/zinc/64/74/52/1378647452.db2.gz PORLOWJNGPTNCA-UHFFFAOYSA-N 0 1 326.425 3.030 20 10 EGCDMN [O-]c1cc(F)c(Br)cc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001144293200 1378710863 /nfs/dbraw/zinc/71/08/63/1378710863.db2.gz LYULAKMWHDQRDK-ZUZCIYMTSA-N 0 1 344.224 3.295 20 10 EGCDMN C[N@@H+](Cc1ccncc1)Cc1cc(Br)c(F)cc1[O-] ZINC001144298297 1378711939 /nfs/dbraw/zinc/71/19/39/1378711939.db2.gz AVDDSIIBVRMPKI-UHFFFAOYSA-N 0 1 325.181 3.321 20 10 EGCDMN CSc1cc(C)nc(SC)c1NC(=O)c1cccc(O)c1O ZINC001148212943 1379134358 /nfs/dbraw/zinc/13/43/58/1379134358.db2.gz QCRXQBIBWGIZEE-UHFFFAOYSA-N 0 1 336.438 3.497 20 10 EGCDMN O=C(c1ccccc1NN=C1C=CC(=O)C=C1)N1CCNC2(CC2)C1 ZINC001161555811 1382438085 /nfs/dbraw/zinc/43/80/85/1382438085.db2.gz AVHMQKBVYAKNGY-QURGRASLSA-N 0 1 336.395 3.386 20 10 EGCDMN CN1CCN(c2ccc(CNc3ccccc3C(C)(C)O)cc2)CC1 ZINC001167431261 1383632403 /nfs/dbraw/zinc/63/24/03/1383632403.db2.gz OMONHPCDHQABBP-UHFFFAOYSA-N 0 1 339.483 3.278 20 10 EGCDMN CC(C)OC(=O)CC[C@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001172744651 1384842140 /nfs/dbraw/zinc/84/21/40/1384842140.db2.gz DPBAXJJHWJHNIC-NSHDSACASA-N 0 1 344.249 3.365 20 10 EGCDMN COc1ccc(N2CCN([C@H](C)CCC(=O)OC(C)C)CC2)c(C)c1 ZINC001172763191 1384846015 /nfs/dbraw/zinc/84/60/15/1384846015.db2.gz VUNCGBFBFQGQLT-QGZVFWFLSA-N 0 1 348.487 3.246 20 10 EGCDMN C[C@@H](C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N)N1CCCC1 ZINC001180577570 1386840412 /nfs/dbraw/zinc/84/04/12/1386840412.db2.gz VLHMIPMJEUQPIL-OLHLKOIRSA-N 0 1 338.415 3.090 20 10 EGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC001331567788 1389806037 /nfs/dbraw/zinc/80/60/37/1389806037.db2.gz KIFXJNZLFXUUFQ-AWEZNQCLSA-N 0 1 346.652 3.155 20 10 EGCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](CF)C2)c1[O-] ZINC001333314770 1390282361 /nfs/dbraw/zinc/28/23/61/1390282361.db2.gz WHFKECILGFECGU-CYBMUJFWSA-N 0 1 329.371 3.120 20 10 EGCDMN O=C(NCCC1CCOCC1)NCc1cc(Cl)cc(Cl)c1O ZINC001342288964 1390596843 /nfs/dbraw/zinc/59/68/43/1390596843.db2.gz LRGFZANZIQKFCF-UHFFFAOYSA-N 0 1 347.242 3.315 20 10 EGCDMN C[C@@H]1CCCN(C(=O)CC[NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC001347701740 1391113131 /nfs/dbraw/zinc/11/31/31/1391113131.db2.gz MDAUIKZJQOLHER-OAHLLOKOSA-N 0 1 326.440 3.284 20 10 EGCDMN CC[C@]1(C(=O)[O-])CCC[N@@H+](Cc2ccc(Br)cc2O)C1 ZINC000700994266 968983451 /nfs/dbraw/zinc/98/34/51/968983451.db2.gz WVYYGSJTUPIWOR-HNNXBMFYSA-N 0 1 342.233 3.232 20 10 EGCDMN COc1cc(C)cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1O ZINC001604695418 973895576 /nfs/dbraw/zinc/89/55/76/973895576.db2.gz VYSDJWWRLHJKOS-DLBZAZTESA-N 0 1 341.407 3.009 20 10 EGCDMN CC[C@H]([NH2+]Cc1cc(C)nn1C)c1cc(Br)ccc1[O-] ZINC000284267693 455658804 /nfs/dbraw/zinc/65/88/04/455658804.db2.gz JELDXXXUGWZWAX-AWEZNQCLSA-N 0 1 338.249 3.438 20 10 EGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000012516798 453367051 /nfs/dbraw/zinc/36/70/51/453367051.db2.gz NGXATFMMDJNYLJ-UHFFFAOYSA-N 0 1 337.398 3.402 20 10 EGCDMN Cc1[nH]ccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000134267357 454522472 /nfs/dbraw/zinc/52/24/72/454522472.db2.gz ICJFRGOPASBEHG-HNNXBMFYSA-N 0 1 347.846 3.077 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cn1 ZINC000092739867 454622383 /nfs/dbraw/zinc/62/23/83/454622383.db2.gz MZGOOXSCXUTJGU-CYBMUJFWSA-N 0 1 333.382 3.047 20 10 EGCDMN CCS(=O)(=O)CCN[C@H](C)c1ccc(N2CCCCCC2)cc1 ZINC000163515800 454852594 /nfs/dbraw/zinc/85/25/94/454852594.db2.gz UWTOECVBFCJMRA-MRXNPFEDSA-N 0 1 338.517 3.152 20 10 EGCDMN C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+](C)Cc1ccccc1O ZINC000111236489 454858875 /nfs/dbraw/zinc/85/88/75/454858875.db2.gz NXPCXEZFBRZNRD-CYBMUJFWSA-N 0 1 332.831 3.182 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cncc(F)c1 ZINC000165191978 454896075 /nfs/dbraw/zinc/89/60/75/454896075.db2.gz UPBDMOKVZFGOFJ-CYBMUJFWSA-N 0 1 333.382 3.047 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](C)CN1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000185505077 455569525 /nfs/dbraw/zinc/56/95/25/455569525.db2.gz YLQUIWSEUOXPPF-JKSUJKDBSA-N 0 1 328.456 3.164 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1[O-] ZINC000185735755 455610145 /nfs/dbraw/zinc/61/01/45/455610145.db2.gz ZNEDGXZPYOZQNG-WZRBSPASSA-N 0 1 328.250 3.356 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](CCCO)c2ccccc2)c1[O-] ZINC000271845957 455784625 /nfs/dbraw/zinc/78/46/25/455784625.db2.gz WRZRMUWTPZSZPJ-GOSISDBHSA-N 0 1 331.387 3.337 20 10 EGCDMN CN(C)Cc1ccsc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000269089342 455787653 /nfs/dbraw/zinc/78/76/53/455787653.db2.gz QBZPFWXRTRIYLW-UHFFFAOYSA-N 0 1 344.480 3.324 20 10 EGCDMN CCn1cnnc1CN[C@H](CCc1ccccc1)c1ccccc1O ZINC000293950708 455801063 /nfs/dbraw/zinc/80/10/63/455801063.db2.gz ZHMPSQGDVFAGEI-GOSISDBHSA-N 0 1 336.439 3.467 20 10 EGCDMN COc1c([O-])c(C[NH2+][C@@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309965 455813500 /nfs/dbraw/zinc/81/35/00/455813500.db2.gz DWRHVNXSIIEAIW-OAHLLOKOSA-N 0 1 345.399 3.499 20 10 EGCDMN Cc1cc(Br)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1O ZINC000252730326 455829200 /nfs/dbraw/zinc/82/92/00/455829200.db2.gz KWBKOMBTDCOSKZ-HNNXBMFYSA-N 0 1 339.277 3.133 20 10 EGCDMN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cncc(Cl)c1 ZINC000269979584 455855102 /nfs/dbraw/zinc/85/51/02/455855102.db2.gz QOJSHEZBITUNJD-UHFFFAOYSA-N 0 1 337.832 3.136 20 10 EGCDMN CCn1cc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866607 455861442 /nfs/dbraw/zinc/86/14/42/455861442.db2.gz FXYBHTKUSMZFRD-LSDHHAIUSA-N 0 1 346.450 3.291 20 10 EGCDMN Cc1ccnc(-c2n[nH]c([C@@H](C)N[C@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447240 455941774 /nfs/dbraw/zinc/94/17/74/455941774.db2.gz MZPZJXSHNLAPFF-OCCSQVGLSA-N 0 1 335.411 3.219 20 10 EGCDMN CCS(=O)(=O)c1ccc(CNCc2ccc(OC)c(C)c2)s1 ZINC000280466969 455977257 /nfs/dbraw/zinc/97/72/57/455977257.db2.gz CGFQUJWBYSHMQF-UHFFFAOYSA-N 0 1 339.482 3.149 20 10 EGCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000287292213 456065840 /nfs/dbraw/zinc/06/58/40/456065840.db2.gz DGAGPKBICWCJSJ-SDDRHHMPSA-N 0 1 328.250 3.478 20 10 EGCDMN CCOc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000271281626 456203791 /nfs/dbraw/zinc/20/37/91/456203791.db2.gz PLLXPLAVLZKWKE-HZPDHXFCSA-N 0 1 331.412 3.472 20 10 EGCDMN CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc(Cl)ccc2[O-])[C@@]12CCCO2 ZINC000274273942 456254307 /nfs/dbraw/zinc/25/43/07/456254307.db2.gz XAZNSACKIUZCNH-UQCMEYCASA-N 0 1 325.836 3.423 20 10 EGCDMN CC[C@@H](N[C@H]1CCc2cccc(O)c21)c1nnc2n1CCCCC2 ZINC000297928747 456326959 /nfs/dbraw/zinc/32/69/59/456326959.db2.gz XLNBIISSYKPCDT-CABCVRRESA-N 0 1 326.444 3.438 20 10 EGCDMN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2[nH]nnc2c1 ZINC000298937849 456572123 /nfs/dbraw/zinc/57/21/23/456572123.db2.gz FRDXEVOSLYOYRS-UHFFFAOYSA-N 0 1 337.427 3.075 20 10 EGCDMN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1c(O)ccc(Cl)c1F ZINC000364469807 457615699 /nfs/dbraw/zinc/61/56/99/457615699.db2.gz AIKDYLYJVITYCO-ZDUSSCGKSA-N 0 1 339.798 3.098 20 10 EGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000366588770 457862156 /nfs/dbraw/zinc/86/21/56/457862156.db2.gz RCSLCONURMAKRH-CBZIJGRNSA-N 0 1 348.874 3.172 20 10 EGCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000726184929 574545434 /nfs/dbraw/zinc/54/54/34/574545434.db2.gz ITYJTWDCLSOBNL-OAHLLOKOSA-N 0 1 341.455 3.069 20 10 EGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000726184929 574545435 /nfs/dbraw/zinc/54/54/35/574545435.db2.gz ITYJTWDCLSOBNL-OAHLLOKOSA-N 0 1 341.455 3.069 20 10 EGCDMN 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CO[C@](C)([C@@H](C)[NH2+]Cc1c([O-])cccc1Br)C1CC1 ZINC000858176705 1328704153 /nfs/dbraw/zinc/70/41/53/1328704153.db2.gz FPTOZPNLFSDWEL-MEBBXXQBSA-N 0 1 328.250 3.448 20 10 EGCDMN O=C([O-])C[C@H]1CCC[N@H+]1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000902009644 1317508669 /nfs/dbraw/zinc/50/86/69/1317508669.db2.gz HNJFBQXBFQZNAP-OAHLLOKOSA-N 0 1 347.415 3.024 20 10 EGCDMN O=C(NCCc1ccncc1)NCc1cc(Cl)cc(Cl)c1O ZINC000806974765 1317541188 /nfs/dbraw/zinc/54/11/88/1317541188.db2.gz SWXBZZGHWNPHDR-UHFFFAOYSA-N 0 1 340.210 3.136 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(Br)cc1[O-] ZINC000902440006 1317578395 /nfs/dbraw/zinc/57/83/95/1317578395.db2.gz WPZUYIPXXJRWSN-IGGJQXEISA-N 0 1 347.256 3.430 20 10 EGCDMN C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1N)c1ccc(Br)cc1[O-] ZINC000902440007 1317578853 /nfs/dbraw/zinc/57/88/53/1317578853.db2.gz WPZUYIPXXJRWSN-UDTVLSCZSA-N 0 1 347.256 3.430 20 10 EGCDMN Cn1ncc(C2CC2)c1C[NH2+]Cc1c([O-])cccc1Br ZINC000858193721 1328708206 /nfs/dbraw/zinc/70/82/06/1328708206.db2.gz HWWJWRYMBYLZQC-UHFFFAOYSA-N 0 1 336.233 3.055 20 10 EGCDMN Cn1ncc(C2CC2)c1CNCc1c(O)cccc1Br ZINC000858193721 1328708213 /nfs/dbraw/zinc/70/82/13/1328708213.db2.gz HWWJWRYMBYLZQC-UHFFFAOYSA-N 0 1 336.233 3.055 20 10 EGCDMN COc1ccnc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c1 ZINC000807836574 1317590106 /nfs/dbraw/zinc/59/01/06/1317590106.db2.gz GDOMGLQYJQKFEB-UHFFFAOYSA-N 0 1 327.167 3.033 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnc(Cl)cn1 ZINC000807837538 1317590399 /nfs/dbraw/zinc/59/03/99/1317590399.db2.gz UNQCSOMFRRRPPW-UHFFFAOYSA-N 0 1 332.574 3.072 20 10 EGCDMN CNc1snc(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807837315 1317590613 /nfs/dbraw/zinc/59/06/13/1317590613.db2.gz LHSMLOXDQFGTMV-UHFFFAOYSA-N 0 1 346.239 3.436 20 10 EGCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CCO[C@@H]2COCC[C@@H]21)CCCC3 ZINC000902627638 1317600648 /nfs/dbraw/zinc/60/06/48/1317600648.db2.gz ZLFYXWNMBFBKKC-HNAYVOBHSA-N 0 1 343.423 3.007 20 10 EGCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CCO[C@@H]2COCC[C@@H]21)CCCC3 ZINC000902627638 1317600649 /nfs/dbraw/zinc/60/06/49/1317600649.db2.gz ZLFYXWNMBFBKKC-HNAYVOBHSA-N 0 1 343.423 3.007 20 10 EGCDMN Oc1ccc2oc3c(c2c1CN1CCO[C@@H]2COCC[C@@H]21)CCCC3 ZINC000902627638 1317600651 /nfs/dbraw/zinc/60/06/51/1317600651.db2.gz ZLFYXWNMBFBKKC-HNAYVOBHSA-N 0 1 343.423 3.007 20 10 EGCDMN CCOc1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808114500 1317626414 /nfs/dbraw/zinc/62/64/14/1317626414.db2.gz BCVQKKSOPVHGTI-UHFFFAOYSA-N 0 1 345.779 3.384 20 10 EGCDMN CC(C)[C@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000903067032 1317646382 /nfs/dbraw/zinc/64/63/82/1317646382.db2.gz XYNNEPMYLBNRTM-UGSOOPFHSA-N 0 1 328.460 3.447 20 10 EGCDMN CC[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000903345184 1317689374 /nfs/dbraw/zinc/68/93/74/1317689374.db2.gz YMOLXFVEKZNOAK-RDJZCZTQSA-N 0 1 328.456 3.307 20 10 EGCDMN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](CCO)C2CCOCC2)c1[O-] ZINC000808715966 1317721312 /nfs/dbraw/zinc/72/13/12/1317721312.db2.gz ZOBLWKATYUPFOZ-MLGOLLRUSA-N 0 1 327.852 3.182 20 10 EGCDMN C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809701739 1317867944 /nfs/dbraw/zinc/86/79/44/1317867944.db2.gz JRJAYUANNOKDHS-BXUZGUMPSA-N 0 1 342.823 3.469 20 10 EGCDMN [NH3+]CCN(Cc1cc(Cl)cc(F)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000809734444 1317883307 /nfs/dbraw/zinc/88/33/07/1317883307.db2.gz GRWXPJUACYPCNG-UHFFFAOYSA-N 0 1 339.754 3.058 20 10 EGCDMN CN(Cc1cc(-c2ccccc2)ccc1O)C[C@H](O)C(F)(F)F ZINC000809750664 1317890939 /nfs/dbraw/zinc/89/09/39/1317890939.db2.gz COXFJQGCAIKNRC-INIZCTEOSA-N 0 1 325.330 3.414 20 10 EGCDMN CC[C@@H]([NH2+][C@H]1CC(=O)N(C(C)C)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810226325 1317980246 /nfs/dbraw/zinc/98/02/46/1317980246.db2.gz DLIAUYSBZJMEER-GXTWGEPZSA-N 0 1 344.377 3.461 20 10 EGCDMN CC[C@H](NCc1ncnn1CC)c1ccc(C(F)(F)F)cc1O ZINC000810237062 1317982317 /nfs/dbraw/zinc/98/23/17/1317982317.db2.gz DSSILDZEZFRMHW-LBPRGKRZSA-N 0 1 328.338 3.263 20 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/nfs/dbraw/zinc/18/72/26/1319187226.db2.gz AZKVQUDQAGVURI-UHFFFAOYSA-N 0 1 349.434 3.067 20 10 EGCDMN COC(=O)N1CCC(C[NH2+]Cc2ccc3ccccc3c2[O-])CC1 ZINC000816608530 1319194064 /nfs/dbraw/zinc/19/40/64/1319194064.db2.gz BRCUQLKYZXLVOH-UHFFFAOYSA-N 0 1 328.412 3.113 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000816630628 1319197483 /nfs/dbraw/zinc/19/74/83/1319197483.db2.gz LYGISWFVVIHTHV-ZDUSSCGKSA-N 0 1 326.234 3.034 20 10 EGCDMN CCCN1C[C@@H](C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1=O ZINC000817589122 1319408776 /nfs/dbraw/zinc/40/87/76/1319408776.db2.gz MAVXNCHZIHIHPD-LSDHHAIUSA-N 0 1 326.440 3.455 20 10 EGCDMN C[C@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817941922 1319469548 /nfs/dbraw/zinc/46/95/48/1319469548.db2.gz LSQYGKBBUGJHLF-YVEFUNNKSA-N 0 1 333.863 3.462 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817941914 1319470628 /nfs/dbraw/zinc/47/06/28/1319470628.db2.gz LSQYGKBBUGJHLF-PXAZEXFGSA-N 0 1 333.863 3.462 20 10 EGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2O)C1 ZINC000824650416 1320274275 /nfs/dbraw/zinc/27/42/75/1320274275.db2.gz OTDYZXCAMICJMK-CQSZACIVSA-N 0 1 338.879 3.482 20 10 EGCDMN CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824650416 1320274280 /nfs/dbraw/zinc/27/42/80/1320274280.db2.gz OTDYZXCAMICJMK-CQSZACIVSA-N 0 1 338.879 3.482 20 10 EGCDMN CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(C)cc2[O-])C1 ZINC000824650416 1320274286 /nfs/dbraw/zinc/27/42/86/1320274286.db2.gz OTDYZXCAMICJMK-CQSZACIVSA-N 0 1 338.879 3.482 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)c1[O-] ZINC000824715553 1320280022 /nfs/dbraw/zinc/28/00/22/1320280022.db2.gz MFUCIGRWPKGJOR-NFAWXSAZSA-N 0 1 340.807 3.079 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845670 1320291006 /nfs/dbraw/zinc/29/10/06/1320291006.db2.gz MVGOSYNIBIRNPM-GDBMZVCRSA-N 0 1 340.261 3.041 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000824949546 1320299398 /nfs/dbraw/zinc/29/93/98/1320299398.db2.gz MPTWPPKZNUYJQR-QAPCUYQASA-N 0 1 349.862 3.176 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)cc1Cl ZINC000824949546 1320299402 /nfs/dbraw/zinc/29/94/02/1320299402.db2.gz MPTWPPKZNUYJQR-QAPCUYQASA-N 0 1 349.862 3.176 20 10 EGCDMN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@@]12CCCO2 ZINC000825513843 1320343577 /nfs/dbraw/zinc/34/35/77/1320343577.db2.gz KEWDLVQTYOMJBH-ZACQAIPSSA-N 0 1 325.836 3.170 20 10 EGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825641524 1320352197 /nfs/dbraw/zinc/35/21/97/1320352197.db2.gz SRCYPRBHUIBGKC-SUNKGSAMSA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825641524 1320352200 /nfs/dbraw/zinc/35/22/00/1320352200.db2.gz SRCYPRBHUIBGKC-SUNKGSAMSA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])[C@H](O)c1ccccc1 ZINC000825940188 1320372890 /nfs/dbraw/zinc/37/28/90/1320372890.db2.gz PCFZZLJXQIDKPG-ZBEGNZNMSA-N 0 1 336.229 3.366 20 10 EGCDMN CC(C)[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1(CO)CCC1 ZINC000825959379 1320375222 /nfs/dbraw/zinc/37/52/22/1320375222.db2.gz JOJORIBYXOZTPC-HNNXBMFYSA-N 0 1 342.277 3.432 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2cncn2c1 ZINC000839922456 1320996944 /nfs/dbraw/zinc/99/69/44/1320996944.db2.gz VDEQNAJJNXYWCJ-HNNXBMFYSA-N 0 1 336.439 3.070 20 10 EGCDMN CC(C)(C[C@@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1)C(N)=O ZINC000840111178 1321031420 /nfs/dbraw/zinc/03/14/20/1321031420.db2.gz WVMMZHKTKMXLCP-AWEZNQCLSA-N 0 1 341.455 3.054 20 10 EGCDMN CC(C)(C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1)C(N)=O ZINC000840111178 1321031424 /nfs/dbraw/zinc/03/14/24/1321031424.db2.gz WVMMZHKTKMXLCP-AWEZNQCLSA-N 0 1 341.455 3.054 20 10 EGCDMN C[C@H](N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1cc2n(n1)CCC2 ZINC000840718474 1321133448 /nfs/dbraw/zinc/13/34/48/1321133448.db2.gz YTRXHIRNZRWGGP-HOTGVXAUSA-N 0 1 340.471 3.078 20 10 EGCDMN Oc1ccc(Br)cc1CN1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000840956195 1321185787 /nfs/dbraw/zinc/18/57/87/1321185787.db2.gz LRWARCMXDUSZSI-HOTGVXAUSA-N 0 1 348.240 3.463 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840997596 1321196712 /nfs/dbraw/zinc/19/67/12/1321196712.db2.gz PCTZCOWUADNLNH-LBPRGKRZSA-N 0 1 330.350 3.068 20 10 EGCDMN Nc1ccc(Cc2noc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 ZINC000843162306 1321481137 /nfs/dbraw/zinc/48/11/37/1321481137.db2.gz VYRZQUCUNLLRTP-KRWDZBQOSA-N 0 1 349.438 3.017 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC([C@H](C)CO)CC2)c1[O-] ZINC000844416425 1321603914 /nfs/dbraw/zinc/60/39/14/1321603914.db2.gz OXLJSGXWLNPFEN-LLVKDONJSA-N 0 1 325.836 3.089 20 10 EGCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)n1ccnc1 ZINC000846159570 1321773447 /nfs/dbraw/zinc/77/34/47/1321773447.db2.gz HYKOAPHFNYSPMJ-VIFPVBQESA-N 0 1 328.199 3.163 20 10 EGCDMN COC(=O)[C@]12C[N@H+](Cc3c([O-])ccc4ccncc43)C[C@H]1CCCC2 ZINC000848491747 1321964996 /nfs/dbraw/zinc/96/49/96/1321964996.db2.gz WPMHKBVWNHFARN-FOIQADDNSA-N 0 1 340.423 3.106 20 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C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CC[S@](=O)C1 ZINC000277569228 455601092 /nfs/dbraw/zinc/60/10/92/455601092.db2.gz SMLLWYOSWKZCJL-CMJOXMDJSA-N 0 1 329.465 3.260 20 10 EGCDMN C[C@@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1[O-] ZINC000186375412 455755294 /nfs/dbraw/zinc/75/52/94/455755294.db2.gz PWEVNSUSAGNGRC-ZBFHGGJFSA-N 0 1 343.423 3.118 20 10 EGCDMN Cc1nnc(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)[nH]1 ZINC000294072607 455805159 /nfs/dbraw/zinc/80/51/59/455805159.db2.gz HWGRFFACPVJPHH-SFHVURJKSA-N 0 1 336.439 3.325 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000285305951 455822018 /nfs/dbraw/zinc/82/20/18/455822018.db2.gz WDWBSIJVWCTYPP-HIFRSBDPSA-N 0 1 326.234 3.298 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(O)cc([N+](=O)[O-])c1 ZINC000269282946 455827379 /nfs/dbraw/zinc/82/73/79/455827379.db2.gz MDSWVDKSQJVYIK-UHFFFAOYSA-N 0 1 343.383 3.029 20 10 EGCDMN C[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc2ccccc2c1[O-] ZINC000186868858 455845069 /nfs/dbraw/zinc/84/50/69/455845069.db2.gz ZCAVTIMFLZFVJT-CQSZACIVSA-N 0 1 335.469 3.411 20 10 EGCDMN CC[C@@H]1CO[C@H](C)CN1Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295583043 455854140 /nfs/dbraw/zinc/85/41/40/455854140.db2.gz SFBZFZXNQVCKIQ-SJLPKXTDSA-N 0 1 332.488 3.301 20 10 EGCDMN CC(=O)c1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000296507061 455958213 /nfs/dbraw/zinc/95/82/13/455958213.db2.gz LUZHZUITKDGLHA-UHFFFAOYSA-N 0 1 338.451 3.358 20 10 EGCDMN OC[C@@H](NCc1ccccc1O)c1ccccc1OC(F)(F)F ZINC000280411792 455967091 /nfs/dbraw/zinc/96/70/91/455967091.db2.gz YOOKJLBXYRHQLT-CYBMUJFWSA-N 0 1 327.302 3.114 20 10 EGCDMN CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000280961236 456093827 /nfs/dbraw/zinc/09/38/27/456093827.db2.gz KNIGJMXFNBSHTC-ZBFHGGJFSA-N 0 1 326.440 3.455 20 10 EGCDMN Oc1cccc(Cl)c1CNCc1ccncc1OC[C@H]1CCOC1 ZINC000288515003 456098176 /nfs/dbraw/zinc/09/81/76/456098176.db2.gz UBRJVOHBAAZMTI-ZDUSSCGKSA-N 0 1 348.830 3.146 20 10 EGCDMN C[C@H]([NH2+]CC1([S@@](C)=O)CCC1)c1ccc(Br)cc1[O-] ZINC000280987192 456102308 /nfs/dbraw/zinc/10/23/08/456102308.db2.gz JKXHMJWWQIEOBE-APBUJDDRSA-N 0 1 346.290 3.107 20 10 EGCDMN Cc1cc(C)n(CCC[NH2+]Cc2cc(Br)ccc2[O-])n1 ZINC000227434703 456115827 /nfs/dbraw/zinc/11/58/27/456115827.db2.gz DJUHLSNRVCOTFA-UHFFFAOYSA-N 0 1 338.249 3.148 20 10 EGCDMN OCCCN(Cc1ccc(N2CCCCC2)cc1)Cc1ccccn1 ZINC000289492694 456127233 /nfs/dbraw/zinc/12/72/33/456127233.db2.gz RVDPHNAWKDHXLB-UHFFFAOYSA-N 0 1 339.483 3.457 20 10 EGCDMN C[C@@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000281110326 456136665 /nfs/dbraw/zinc/13/66/65/456136665.db2.gz RNUJZDOJCSAMQX-DGIBIBHMSA-N 0 1 346.290 3.107 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1[O-] ZINC000273049486 456159547 /nfs/dbraw/zinc/15/95/47/456159547.db2.gz YDTNPEIPYDDVEB-BUBHHJDNSA-N 0 1 349.427 3.322 20 10 EGCDMN C[C@]1([NH2+]Cc2cc(Br)ccc2[O-])CCO[C@H]1C1CC1 ZINC000273082564 456171470 /nfs/dbraw/zinc/17/14/70/456171470.db2.gz JHBJFBPYMJEDOZ-GJZGRUSLSA-N 0 1 326.234 3.202 20 10 EGCDMN C[C@@]1([NH2+]Cc2cc(Br)ccc2[O-])CCO[C@H]1C1CC1 ZINC000273082568 456173690 /nfs/dbraw/zinc/17/36/90/456173690.db2.gz JHBJFBPYMJEDOZ-LSDHHAIUSA-N 0 1 326.234 3.202 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489438 456234608 /nfs/dbraw/zinc/23/46/08/456234608.db2.gz OAUOLOSIMRZBPI-DYVFJYSZSA-N 0 1 344.842 3.497 20 10 EGCDMN Cc1ccc([C@@H](O)C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])o1 ZINC000273595144 456240931 /nfs/dbraw/zinc/24/09/31/456240931.db2.gz QJDJQZZDTHXWQF-HZMBPMFUSA-N 0 1 340.217 3.440 20 10 EGCDMN CCCN(CC(=O)Nc1cccc(OC)c1)Cc1ccccc1O ZINC000299674980 456760818 /nfs/dbraw/zinc/76/08/18/456760818.db2.gz TUMNOLBPIXEHLN-UHFFFAOYSA-N 0 1 328.412 3.252 20 10 EGCDMN CCN1CCN(c2ccc(CNc3cncc(Cl)n3)cc2F)CC1 ZINC000301209645 456823393 /nfs/dbraw/zinc/82/33/93/456823393.db2.gz VSUYXBIHUPDGJN-UHFFFAOYSA-N 0 1 349.841 3.023 20 10 EGCDMN Cc1cc[nH]c1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000373898431 457390173 /nfs/dbraw/zinc/39/01/73/457390173.db2.gz FSSDQOUIORCYJA-OAHLLOKOSA-N 0 1 347.846 3.077 20 10 EGCDMN C[NH+]1CCC2(CCCN2Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000368947999 458066545 /nfs/dbraw/zinc/06/65/45/458066545.db2.gz ABOKKSBHGBHPCI-UHFFFAOYSA-N 0 1 339.823 3.014 20 10 EGCDMN COc1cc(O)c(CN[C@H]2COc3c2cccc3Cl)cc1OC ZINC000373191002 458424411 /nfs/dbraw/zinc/42/44/11/458424411.db2.gz NATKCQVMTUNLGT-ZDUSSCGKSA-N 0 1 335.787 3.286 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CC12CCOCC2 ZINC000377090443 458459180 /nfs/dbraw/zinc/45/91/80/458459180.db2.gz RDKUGZDNAOUERM-LLVKDONJSA-N 0 1 330.211 3.132 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cnn(C2CC2)c1 ZINC000529394114 459828336 /nfs/dbraw/zinc/82/83/36/459828336.db2.gz WWDPGOOGXRWOBX-UHFFFAOYSA-N 0 1 326.183 3.160 20 10 EGCDMN CC(C)Oc1ccc(NS(=O)(=O)c2cccc3nsnc32)cc1 ZINC000614827496 460230986 /nfs/dbraw/zinc/23/09/86/460230986.db2.gz WVRYFBWGZXMZRM-UHFFFAOYSA-N 0 1 349.437 3.279 20 10 EGCDMN CCCC1=S=C(C(=O)Nc2[nH]nc(-c3ccncc3)c2CC)C=C1 ZINC000630916352 461410851 /nfs/dbraw/zinc/41/08/51/461410851.db2.gz WWLMNPAHQVRHIA-UHFFFAOYSA-N 0 1 340.452 3.421 20 10 EGCDMN Cc1cccc(C)c1OC[C@H](O)C[NH2+]Cc1c([O-])cccc1Cl ZINC000733325535 575327814 /nfs/dbraw/zinc/32/78/14/575327814.db2.gz IXWOQNRBESDUQU-CQSZACIVSA-N 0 1 335.831 3.192 20 10 EGCDMN CCN(C)[C@H](C(=O)NCCCSc1nccs1)c1ccccc1 ZINC000733972779 575419612 /nfs/dbraw/zinc/41/96/12/575419612.db2.gz LRBMBXYZYFHCJX-HNNXBMFYSA-N 0 1 349.525 3.435 20 10 EGCDMN Cc1ccc(F)c(N2CCC[C@H](N(C)Cc3ccccc3O)C2=O)c1 ZINC000735670812 575697799 /nfs/dbraw/zinc/69/77/99/575697799.db2.gz UHDCUMICBISUKE-KRWDZBQOSA-N 0 1 342.414 3.467 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+](C)C2(C(=O)[O-])CCCC2)c1O ZINC000825946606 604468824 /nfs/dbraw/zinc/46/88/24/604468824.db2.gz HBDGNPVGORBJCC-UHFFFAOYSA-N 0 1 325.792 3.077 20 10 EGCDMN Cc1ncsc1CC[NH2+]Cc1c([O-])cccc1Br ZINC000706843713 1298222124 /nfs/dbraw/zinc/22/21/24/1298222124.db2.gz CHRFZXAZJMXNKV-UHFFFAOYSA-N 0 1 327.247 3.252 20 10 EGCDMN CN(C)c1ccc(CN(C)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1 ZINC000024980208 1291252270 /nfs/dbraw/zinc/25/22/70/1291252270.db2.gz JWLJDWHCEHMATE-UHFFFAOYSA-N 0 1 339.399 3.100 20 10 EGCDMN Cc1cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037016 1292421394 /nfs/dbraw/zinc/42/13/94/1292421394.db2.gz RUBGVTBVZZAWKE-SFTDATJTSA-N 0 1 344.499 3.365 20 10 EGCDMN Cc1cc(CN2CC[C@@H](C)C[C@H]2C(N)=O)ccc1N1CCCCC1 ZINC000828987855 1292525234 /nfs/dbraw/zinc/52/52/34/1292525234.db2.gz MNRQTTDFTDZIDD-BEFAXECRSA-N 0 1 329.488 3.071 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@H](N)c2ccccc2C)cc1F ZINC000829038575 1292530481 /nfs/dbraw/zinc/53/04/81/1292530481.db2.gz KTXCACGYXTZVQC-LJQANCHMSA-N 0 1 343.446 3.297 20 10 EGCDMN CC1CCN(c2ccc(CNC(=O)c3[nH]nc4c3CCC4)cc2)CC1 ZINC000108294603 1293078194 /nfs/dbraw/zinc/07/81/94/1293078194.db2.gz HZNMDRNRZOSGQZ-UHFFFAOYSA-N 0 1 338.455 3.065 20 10 EGCDMN COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235405 1293101745 /nfs/dbraw/zinc/10/17/45/1293101745.db2.gz HKTFVWUFQNLJOV-OAHLLOKOSA-N 0 1 342.439 3.052 20 10 EGCDMN COc1ccccc1[C@@H](C)N(C)C(=O)CN(C)Cc1ccccc1O ZINC000111235405 1293101748 /nfs/dbraw/zinc/10/17/48/1293101748.db2.gz HKTFVWUFQNLJOV-OAHLLOKOSA-N 0 1 342.439 3.052 20 10 EGCDMN Cc1cnc(CC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000834908077 1293173350 /nfs/dbraw/zinc/17/33/50/1293173350.db2.gz GSDCRWQQAGIITF-NSHDSACASA-N 0 1 336.233 3.146 20 10 EGCDMN C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000133022412 1293735474 /nfs/dbraw/zinc/73/54/74/1293735474.db2.gz ASSLRDNBQFOJCP-MRXNPFEDSA-N 0 1 330.815 3.283 20 10 EGCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000133022412 1293735479 /nfs/dbraw/zinc/73/54/79/1293735479.db2.gz ASSLRDNBQFOJCP-MRXNPFEDSA-N 0 1 330.815 3.283 20 10 EGCDMN [O-]c1ccc2oc3c(c2c1C[N@@H+]1CC[C@H](N2CC=CC2)C1)CCCC3 ZINC000172931403 1294450024 /nfs/dbraw/zinc/45/00/24/1294450024.db2.gz MKKIRCZSYGDHTJ-HNNXBMFYSA-N 0 1 338.451 3.463 20 10 EGCDMN [O-]c1ccc2oc3c(c2c1C[N@H+]1CC[C@H](N2CC=CC2)C1)CCCC3 ZINC000172931403 1294450026 /nfs/dbraw/zinc/45/00/26/1294450026.db2.gz MKKIRCZSYGDHTJ-HNNXBMFYSA-N 0 1 338.451 3.463 20 10 EGCDMN COc1ccc(N2CCN(Cc3cc(F)ccc3O)CC2)cc1F ZINC000180264757 1294876641 /nfs/dbraw/zinc/87/66/41/1294876641.db2.gz KLTRXYQBOMBLCZ-UHFFFAOYSA-N 0 1 334.366 3.001 20 10 EGCDMN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc(F)cc(C(C)=O)c2[O-])c1 ZINC000182467107 1295050869 /nfs/dbraw/zinc/05/08/69/1295050869.db2.gz YUPZNPIGRMHXMR-SNVBAGLBSA-N 0 1 333.359 3.299 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)N2CCN(CC(C)C)CC2)cc1 ZINC000195565061 1296075631 /nfs/dbraw/zinc/07/56/31/1296075631.db2.gz GNGZPFSQGUHWFZ-UHFFFAOYSA-N 0 1 346.519 3.016 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1CSCCS1 ZINC000706843323 1298224103 /nfs/dbraw/zinc/22/41/03/1298224103.db2.gz RCIIJKYXNJCKGI-VIFPVBQESA-N 0 1 334.304 3.093 20 10 EGCDMN CN1CCC[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708087927 1298235032 /nfs/dbraw/zinc/23/50/32/1298235032.db2.gz FJATXNRAVPKHFL-JTQLQIEISA-N 0 1 347.684 3.240 20 10 EGCDMN CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000713471346 1298271358 /nfs/dbraw/zinc/27/13/58/1298271358.db2.gz TXKJMYGQFOGALO-ZIAGYGMSSA-N 0 1 326.234 3.202 20 10 EGCDMN O=C(NC1CC1)c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000725847968 1298375214 /nfs/dbraw/zinc/37/52/14/1298375214.db2.gz KSPQEEDWPMBNTF-UHFFFAOYSA-N 0 1 330.815 3.228 20 10 EGCDMN CN(C)c1ccc(CNCC(=O)Nc2cccc3cccnc32)cc1 ZINC000725851049 1298376278 /nfs/dbraw/zinc/37/62/78/1298376278.db2.gz MKHUPTUMUJPSNE-UHFFFAOYSA-N 0 1 334.423 3.029 20 10 EGCDMN Cc1n[nH]c(C(F)(F)F)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC000746602642 1298622994 /nfs/dbraw/zinc/62/29/94/1298622994.db2.gz SZJVAYNIPDFHSS-UHFFFAOYSA-N 0 1 340.349 3.041 20 10 EGCDMN Oc1ccccc1CN(Cc1ccc(Cl)nn1)C[C@@H]1CCCO1 ZINC000876531481 1298807656 /nfs/dbraw/zinc/80/76/56/1298807656.db2.gz HDNBUSQSCWQXHV-HNNXBMFYSA-N 0 1 333.819 3.017 20 10 EGCDMN Oc1ccccc1CN(Cc1ccc(Cl)nn1)C[C@H]1CCCO1 ZINC000876531482 1298808872 /nfs/dbraw/zinc/80/88/72/1298808872.db2.gz HDNBUSQSCWQXHV-OAHLLOKOSA-N 0 1 333.819 3.017 20 10 EGCDMN CSc1ccccc1NC(=O)CN(C)Cc1c(C)cccc1O ZINC000876537612 1298812379 /nfs/dbraw/zinc/81/23/79/1298812379.db2.gz VXXYXAMFFYWEGP-UHFFFAOYSA-N 0 1 330.453 3.493 20 10 EGCDMN O=C1C[C@H](c2ccccc2)[N@H+](Cc2c([O-])ccc3ccncc32)CCN1 ZINC000748790207 1299079741 /nfs/dbraw/zinc/07/97/41/1299079741.db2.gz OEJBZPQSRYWGQJ-LJQANCHMSA-N 0 1 347.418 3.004 20 10 EGCDMN O=C1C[C@H](c2ccccc2)[N@@H+](Cc2c([O-])ccc3ccncc32)CCN1 ZINC000748790207 1299079746 /nfs/dbraw/zinc/07/97/46/1299079746.db2.gz OEJBZPQSRYWGQJ-LJQANCHMSA-N 0 1 347.418 3.004 20 10 EGCDMN Cc1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)sn1 ZINC000876946027 1299082056 /nfs/dbraw/zinc/08/20/56/1299082056.db2.gz MSKGNYCGXWMKCN-OKILXGFUSA-N 0 1 349.475 3.494 20 10 EGCDMN Cc1ccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c(O)c1 ZINC000877490926 1299342104 /nfs/dbraw/zinc/34/21/04/1299342104.db2.gz BIKIHZAYNNUJCK-CQSZACIVSA-N 0 1 341.329 3.422 20 10 EGCDMN Cc1cc(C(=O)CN2CCc3cn[nH]c3C2)c(C)n1-c1ccccc1C ZINC000750719739 1299442992 /nfs/dbraw/zinc/44/29/92/1299442992.db2.gz HGYZOSCNXINCOO-UHFFFAOYSA-N 0 1 348.450 3.367 20 10 EGCDMN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756494302 1300506303 /nfs/dbraw/zinc/50/63/03/1300506303.db2.gz LIEAGYMBSLUYQW-QWRGUYRKSA-N 0 1 336.233 3.227 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)c(F)cc1[O-] ZINC000756503744 1300509317 /nfs/dbraw/zinc/50/93/17/1300509317.db2.gz LZPYYMFPHMQJSD-VHSXEESVSA-N 0 1 333.245 3.285 20 10 EGCDMN COc1ccccc1[C@H](CO)N[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756713037 1300552011 /nfs/dbraw/zinc/55/20/11/1300552011.db2.gz SOAUMTHWPBICGN-CQDKDKBSSA-N 0 1 331.387 3.411 20 10 EGCDMN COc1cc(Cl)cc(CNCc2nc3cc(F)ccc3n2C)c1O ZINC000761205378 1301419355 /nfs/dbraw/zinc/41/93/55/1301419355.db2.gz BBUIVRVSEQYUIB-UHFFFAOYSA-N 0 1 349.793 3.370 20 10 EGCDMN C[C@]1(C[NH2+]Cc2cc(Br)ccc2[O-])CCO[C@H]1C1CC1 ZINC000767194342 1302602457 /nfs/dbraw/zinc/60/24/57/1302602457.db2.gz CONDJEIYUDUUTC-JKSUJKDBSA-N 0 1 340.261 3.450 20 10 EGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCOC1 ZINC000768531081 1302925664 /nfs/dbraw/zinc/92/56/64/1302925664.db2.gz VVQWLEDXWXBYIB-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H]1CCCOC1 ZINC000768531081 1302925670 /nfs/dbraw/zinc/92/56/70/1302925670.db2.gz VVQWLEDXWXBYIB-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN COc1ccc(N2CCN(CCc3ccc(F)c(F)c3)CC2)cc1 ZINC000768538005 1302929167 /nfs/dbraw/zinc/92/91/67/1302929167.db2.gz QECOUSUMMKTVCF-UHFFFAOYSA-N 0 1 332.394 3.338 20 10 EGCDMN CO[C@@H]1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768755855 1302971357 /nfs/dbraw/zinc/97/13/57/1302971357.db2.gz YNLSMAPENGSKTP-MRXNPFEDSA-N 0 1 333.432 3.196 20 10 EGCDMN COc1ccc(N2CCC[N@@H+](Cc3c(O)cccc3OC)CC2)cc1 ZINC000768998972 1303029438 /nfs/dbraw/zinc/02/94/38/1303029438.db2.gz RHPOONKSYNYADK-UHFFFAOYSA-N 0 1 342.439 3.122 20 10 EGCDMN C[C@@H]1COCCCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769455484 1303117057 /nfs/dbraw/zinc/11/70/57/1303117057.db2.gz DDLMGUSUCZRDPI-OAHLLOKOSA-N 0 1 333.432 3.196 20 10 EGCDMN COc1cccc(O)c1CN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000769483322 1303122957 /nfs/dbraw/zinc/12/29/57/1303122957.db2.gz HUPDJMZKEOZJSC-FQEVSTJZSA-N 0 1 325.408 3.075 20 10 EGCDMN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000771628085 1303427056 /nfs/dbraw/zinc/42/70/56/1303427056.db2.gz DRQNWGZBYIDBLU-HNNXBMFYSA-N 0 1 342.439 3.352 20 10 EGCDMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000771628085 1303427060 /nfs/dbraw/zinc/42/70/60/1303427060.db2.gz DRQNWGZBYIDBLU-HNNXBMFYSA-N 0 1 342.439 3.352 20 10 EGCDMN CCN(C)c1ccc(CN2CCCN(CC(F)(F)F)CC2)cc1 ZINC000773730260 1303730537 /nfs/dbraw/zinc/73/05/37/1303730537.db2.gz NNKFJRIKLZCYNJ-UHFFFAOYSA-N 0 1 329.410 3.213 20 10 EGCDMN CCOc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774821008 1303864066 /nfs/dbraw/zinc/86/40/66/1303864066.db2.gz SAQMGDIQDFWIEN-UHFFFAOYSA-N 0 1 346.383 3.340 20 10 EGCDMN CCOc1ccc(C[N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000774821008 1303864067 /nfs/dbraw/zinc/86/40/67/1303864067.db2.gz SAQMGDIQDFWIEN-UHFFFAOYSA-N 0 1 346.383 3.340 20 10 EGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000775158759 1303917709 /nfs/dbraw/zinc/91/77/09/1303917709.db2.gz VOFOXKOZJDNZGJ-RISCZKNCSA-N 0 1 340.851 3.391 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC000775158759 1303917715 /nfs/dbraw/zinc/91/77/15/1303917715.db2.gz VOFOXKOZJDNZGJ-RISCZKNCSA-N 0 1 340.851 3.391 20 10 EGCDMN CC[C@@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000775585359 1303989092 /nfs/dbraw/zinc/98/90/92/1303989092.db2.gz GMJUDJYMNONOFW-CQSZACIVSA-N 0 1 333.881 3.301 20 10 EGCDMN Cc1cccc(CN2CCC[C@H]2C(=O)OCc2ccccc2)c1O ZINC000775647974 1304003804 /nfs/dbraw/zinc/00/38/04/1304003804.db2.gz KMGONOBDOIRANC-SFHVURJKSA-N 0 1 325.408 3.408 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000775994084 1304076180 /nfs/dbraw/zinc/07/61/80/1304076180.db2.gz GHAGKBLZONJRMT-UHFFFAOYSA-N 0 1 346.862 3.353 20 10 EGCDMN O=C(NCC[NH2+]Cc1c([O-])cccc1Cl)c1ccc(Cl)cc1 ZINC000776081386 1304092037 /nfs/dbraw/zinc/09/20/37/1304092037.db2.gz PDBSHEOUUDXFAG-UHFFFAOYSA-N 0 1 339.222 3.219 20 10 EGCDMN COCC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000778121526 1304399866 /nfs/dbraw/zinc/39/98/66/1304399866.db2.gz UROKOLPCIGPBHZ-LJQANCHMSA-N 0 1 344.455 3.292 20 10 EGCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000779603749 1304586787 /nfs/dbraw/zinc/58/67/87/1304586787.db2.gz APFNYQXYCKZYIC-GFCCVEGCSA-N 0 1 325.836 3.457 20 10 EGCDMN COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000779603749 1304586789 /nfs/dbraw/zinc/58/67/89/1304586789.db2.gz APFNYQXYCKZYIC-GFCCVEGCSA-N 0 1 325.836 3.457 20 10 EGCDMN CC(C)c1nc([C@H]2COCCN2Cc2cccc(Cl)c2O)no1 ZINC000779616065 1304587737 /nfs/dbraw/zinc/58/77/37/1304587737.db2.gz OJSDOLFDIWVABT-CYBMUJFWSA-N 0 1 337.807 3.126 20 10 EGCDMN COCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccco1 ZINC000779994481 1304629621 /nfs/dbraw/zinc/62/96/21/1304629621.db2.gz RXQLJMRCQNPCNH-QGZVFWFLSA-N 0 1 348.418 3.123 20 10 EGCDMN CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@H](C)C2)cc1 ZINC000781617848 1304849576 /nfs/dbraw/zinc/84/95/76/1304849576.db2.gz WYIFUCMSOTZWOI-KRWDZBQOSA-N 0 1 331.504 3.223 20 10 EGCDMN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1cc(Br)ccc1[O-] ZINC000783648056 1305123231 /nfs/dbraw/zinc/12/32/31/1305123231.db2.gz YADOZJAJYWIXPX-RNCFNFMXSA-N 0 1 326.190 3.132 20 10 EGCDMN CCCN(Cc1cc(Br)nn1C)Cc1ccccc1O ZINC000787138060 1305696026 /nfs/dbraw/zinc/69/60/26/1305696026.db2.gz OQUHSMPMSAAKFY-UHFFFAOYSA-N 0 1 338.249 3.300 20 10 EGCDMN C/C=C(\CC)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000789816361 1306219368 /nfs/dbraw/zinc/21/93/68/1306219368.db2.gz LPVDEZWAGUSCQN-JUNHHFQASA-N 0 1 336.863 3.483 20 10 EGCDMN C/C=C(\CC)C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000789816361 1306219375 /nfs/dbraw/zinc/21/93/75/1306219375.db2.gz LPVDEZWAGUSCQN-JUNHHFQASA-N 0 1 336.863 3.483 20 10 EGCDMN C/C=C(\CC)C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000789816361 1306219384 /nfs/dbraw/zinc/21/93/84/1306219384.db2.gz LPVDEZWAGUSCQN-JUNHHFQASA-N 0 1 336.863 3.483 20 10 EGCDMN Nc1c(Cl)cc(NC(=O)c2c(F)ccc(O)c2O)cc1Cl ZINC000789957619 1306237238 /nfs/dbraw/zinc/23/72/38/1306237238.db2.gz CHQAZSJLSLOXEN-UHFFFAOYSA-N 0 1 331.130 3.378 20 10 EGCDMN C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c(F)ccc(O)c1[O-])c1ccccc1 ZINC000789974920 1306239559 /nfs/dbraw/zinc/23/95/59/1306239559.db2.gz KSMWQXQEXDDCAP-GFCCVEGCSA-N 0 1 346.402 3.096 20 10 EGCDMN COc1cccc2sc(NC(=O)c3c(F)ccc(O)c3O)nc21 ZINC000789974925 1306240194 /nfs/dbraw/zinc/24/01/94/1306240194.db2.gz KVNWPNPIENJNAH-UHFFFAOYSA-N 0 1 334.328 3.108 20 10 EGCDMN C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000790934271 1308888587 /nfs/dbraw/zinc/88/85/87/1308888587.db2.gz JFMBUTWNENMUGI-SMDDNHRTSA-N 0 1 328.250 3.280 20 10 EGCDMN C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000790934271 1308888595 /nfs/dbraw/zinc/88/85/95/1308888595.db2.gz JFMBUTWNENMUGI-SMDDNHRTSA-N 0 1 328.250 3.280 20 10 EGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C[C@@H]1O ZINC000894595913 1308970828 /nfs/dbraw/zinc/97/08/28/1308970828.db2.gz LPWMHYJZZVTMQW-NSHDSACASA-N 0 1 334.641 3.011 20 10 EGCDMN C[C@H](N1CCN(Cc2c(O)ccc(Cl)c2F)CC1)C(F)(F)F ZINC000792170258 1309136572 /nfs/dbraw/zinc/13/65/72/1309136572.db2.gz QLPQDGYEPSNNJI-VIFPVBQESA-N 0 1 340.748 3.253 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cc1Cl ZINC000824901040 1320295057 /nfs/dbraw/zinc/29/50/57/1320295057.db2.gz HVJXQLOQUSZNAG-OAHLLOKOSA-N 0 1 325.836 3.124 20 10 EGCDMN C[C@@]1(C[NH2+]Cc2ccc(Br)cc2[O-])CCCC[C@H]1O ZINC000825330682 1320329018 /nfs/dbraw/zinc/32/90/18/1320329018.db2.gz CMNXEUZKVYSXMH-CABCVRRESA-N 0 1 328.250 3.186 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000825338434 1320329788 /nfs/dbraw/zinc/32/97/88/1320329788.db2.gz YBGIEAKSZSGLOG-GUTXKFCHSA-N 0 1 326.234 3.202 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH+]1CCC(c2ccncn2)CC1 ZINC000826120288 1320384182 /nfs/dbraw/zinc/38/41/82/1320384182.db2.gz BFERDPQJLNMXAM-UHFFFAOYSA-N 0 1 348.244 3.324 20 10 EGCDMN COC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)C(C)C ZINC000805151078 1317320035 /nfs/dbraw/zinc/32/00/35/1317320035.db2.gz MAFKTKJXHKULEU-LBPRGKRZSA-N 0 1 335.231 3.169 20 10 EGCDMN C/C(Cl)=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000901127167 1317385906 /nfs/dbraw/zinc/38/59/06/1317385906.db2.gz JUWHKUCDCSTQAM-DPQIITEBSA-N 0 1 343.254 3.269 20 10 EGCDMN C/C(Cl)=C\C(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000901127167 1317385915 /nfs/dbraw/zinc/38/59/15/1317385915.db2.gz JUWHKUCDCSTQAM-DPQIITEBSA-N 0 1 343.254 3.269 20 10 EGCDMN C/C(Cl)=C\C(=O)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000901127167 1317385925 /nfs/dbraw/zinc/38/59/25/1317385925.db2.gz JUWHKUCDCSTQAM-DPQIITEBSA-N 0 1 343.254 3.269 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000858160262 1328699770 /nfs/dbraw/zinc/69/97/70/1328699770.db2.gz GJPVKBLWVSDJCL-NSHDSACASA-N 0 1 334.213 3.117 20 10 EGCDMN CN(C)c1cc(F)c(CN[C@@]2(CO)CCCc3ccccc32)cc1F ZINC000858161755 1328700173 /nfs/dbraw/zinc/70/01/73/1328700173.db2.gz DWYGRNVVJVZIOB-HXUWFJFHSA-N 0 1 346.421 3.345 20 10 EGCDMN Cn1cc([C@H](NCc2c(O)ccc(Cl)c2F)C(F)(F)F)cn1 ZINC000858164309 1328700950 /nfs/dbraw/zinc/70/09/50/1328700950.db2.gz RCLSSHKDGWVYCK-LBPRGKRZSA-N 0 1 337.704 3.311 20 10 EGCDMN O=C(NCCc1ccccn1)NCc1cc(Cl)cc(Cl)c1O ZINC000806284382 1317476530 /nfs/dbraw/zinc/47/65/30/1317476530.db2.gz XDUXRWASLNLTMA-UHFFFAOYSA-N 0 1 340.210 3.136 20 10 EGCDMN CC(C)(C)OC(=O)CCC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807841106 1317590936 /nfs/dbraw/zinc/59/09/36/1317590936.db2.gz RWABYYPBVHFNLI-UHFFFAOYSA-N 0 1 348.226 3.437 20 10 EGCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1cc(F)cc(F)c1 ZINC000808115740 1317626996 /nfs/dbraw/zinc/62/69/96/1317626996.db2.gz QRKMOFLKECKECR-UHFFFAOYSA-N 0 1 337.706 3.264 20 10 EGCDMN COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000903129476 1317659602 /nfs/dbraw/zinc/65/96/02/1317659602.db2.gz XKKPLWIUZGSQBE-FOGDFJRCSA-N 0 1 342.233 3.147 20 10 EGCDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000808443460 1317678371 /nfs/dbraw/zinc/67/83/71/1317678371.db2.gz FENLLPIABAZIQD-XOBRGWDASA-N 0 1 342.414 3.274 20 10 EGCDMN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](CCO)C2CCOCC2)c1[O-] ZINC000808715965 1317720779 /nfs/dbraw/zinc/72/07/79/1317720779.db2.gz ZOBLWKATYUPFOZ-LRDDRELGSA-N 0 1 327.852 3.182 20 10 EGCDMN CN(C)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809709366 1317870584 /nfs/dbraw/zinc/87/05/84/1317870584.db2.gz QODYZBPMVCZDKX-ZDUSSCGKSA-N 0 1 326.824 3.098 20 10 EGCDMN CC[C@H]([NH2+]CC1([S@](C)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810240973 1317984371 /nfs/dbraw/zinc/98/43/71/1317984371.db2.gz JVKKRECCJYBQOG-YTEVENLXSA-N 0 1 335.391 3.363 20 10 EGCDMN C[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1ccc(N(C)C)cc1 ZINC000811186220 1318120537 /nfs/dbraw/zinc/12/05/37/1318120537.db2.gz HIDPMCKYAJGVPQ-CYBMUJFWSA-N 0 1 335.411 3.029 20 10 EGCDMN CCOc1ccc(C[N@H+]2CCCC[C@H]2COC(=O)NC2CC2)c(O)c1 ZINC000811511187 1318190891 /nfs/dbraw/zinc/19/08/91/1318190891.db2.gz DZQAKPJCLRLWMA-INIZCTEOSA-N 0 1 348.443 3.034 20 10 EGCDMN COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000814171118 1318687041 /nfs/dbraw/zinc/68/70/41/1318687041.db2.gz HOIUAYRYTMBHLW-LJQANCHMSA-N 0 1 345.826 3.362 20 10 EGCDMN COC(=O)[C@]1(c2ccccc2)CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000814171118 1318687052 /nfs/dbraw/zinc/68/70/52/1318687052.db2.gz HOIUAYRYTMBHLW-LJQANCHMSA-N 0 1 345.826 3.362 20 10 EGCDMN Cc1cccc(C(=O)NCC[NH2+]Cc2ccc3ccccc3c2[O-])c1 ZINC000816537614 1319177578 /nfs/dbraw/zinc/17/75/78/1319177578.db2.gz LCNUTTWOVLJGCM-UHFFFAOYSA-N 0 1 334.419 3.373 20 10 EGCDMN CC(C)(C)OC(=O)N1CC([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816554667 1319181847 /nfs/dbraw/zinc/18/18/47/1319181847.db2.gz FOUVYAUQBSYKPL-UHFFFAOYSA-N 0 1 328.412 3.254 20 10 EGCDMN [O-]c1c(C[NH2+]C2CCN(c3cccnn3)CC2)ccc2ccccc21 ZINC000816591485 1319187914 /nfs/dbraw/zinc/18/79/14/1319187914.db2.gz GCVAPSYENPQPAG-UHFFFAOYSA-N 0 1 334.423 3.094 20 10 EGCDMN Cn1cc([C@@H]2CSCCN2Cc2cc(Cl)c(F)cc2O)cn1 ZINC000816591292 1319188072 /nfs/dbraw/zinc/18/80/72/1319188072.db2.gz ZQSDYJDGJFAYKR-AWEZNQCLSA-N 0 1 341.839 3.208 20 10 EGCDMN CCc1nc(C)c(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC000816682059 1319207340 /nfs/dbraw/zinc/20/73/40/1319207340.db2.gz NQPPLZHXGHGQRP-UHFFFAOYSA-N 0 1 329.183 3.488 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817419258 1319357341 /nfs/dbraw/zinc/35/73/41/1319357341.db2.gz RZKGQFFYPCWLQU-GFCCVEGCSA-N 0 1 328.250 3.139 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817419258 1319357346 /nfs/dbraw/zinc/35/73/46/1319357346.db2.gz RZKGQFFYPCWLQU-GFCCVEGCSA-N 0 1 328.250 3.139 20 10 EGCDMN C[C@@H](NCC(F)(F)C[NH3+])c1cc(Br)cc(Cl)c1[O-] ZINC000817965756 1319479254 /nfs/dbraw/zinc/47/92/54/1319479254.db2.gz CEZQNCPFLFQLKE-ZCFIWIBFSA-N 0 1 343.599 3.053 20 10 EGCDMN COc1cc(Cl)cc(C[N@@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825103013 1320310927 /nfs/dbraw/zinc/31/09/27/1320310927.db2.gz AVOSCTVNPVKTGZ-LSDHHAIUSA-N 0 1 325.836 3.444 20 10 EGCDMN COc1cc(Cl)cc(C[N@H+](C)[C@H]2C[C@@H](OC)C23CCC3)c1[O-] ZINC000825103013 1320310932 /nfs/dbraw/zinc/31/09/32/1320310932.db2.gz AVOSCTVNPVKTGZ-LSDHHAIUSA-N 0 1 325.836 3.444 20 10 EGCDMN COc1cccnc1CNCc1cc(Br)cc(C)c1O ZINC000825249467 1320321340 /nfs/dbraw/zinc/32/13/40/1320321340.db2.gz IJNJDKOQHVFQIN-UHFFFAOYSA-N 0 1 337.217 3.157 20 10 EGCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccsc1 ZINC000825291307 1320324132 /nfs/dbraw/zinc/32/41/32/1320324132.db2.gz JEJYYJWYNRYGKD-CQSZACIVSA-N 0 1 342.258 3.214 20 10 EGCDMN Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825297726 1320325181 /nfs/dbraw/zinc/32/51/81/1320325181.db2.gz LSWZRRWJVYKEFY-SECBINFHSA-N 0 1 339.233 3.480 20 10 EGCDMN CC(C)C[C@H](CCO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825320545 1320327317 /nfs/dbraw/zinc/32/73/17/1320327317.db2.gz LGMMTNXYGKGDHC-LBPRGKRZSA-N 0 1 330.266 3.289 20 10 EGCDMN CC(C)C[C@@H](CCO)C[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825320544 1320327644 /nfs/dbraw/zinc/32/76/44/1320327644.db2.gz LGMMTNXYGKGDHC-GFCCVEGCSA-N 0 1 330.266 3.289 20 10 EGCDMN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c(C)cc2[O-])[C@]12CCCO2 ZINC000825513840 1320343652 /nfs/dbraw/zinc/34/36/52/1320343652.db2.gz KEWDLVQTYOMJBH-GVDBMIGSSA-N 0 1 325.836 3.170 20 10 EGCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825641526 1320352017 /nfs/dbraw/zinc/35/20/17/1320352017.db2.gz SRCYPRBHUIBGKC-UHIISALHSA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825641526 1320352022 /nfs/dbraw/zinc/35/20/22/1320352022.db2.gz SRCYPRBHUIBGKC-UHIISALHSA-N 0 1 328.250 3.136 20 10 EGCDMN CC(C)(C)N1C[C@H](C[NH2+]Cc2ccc3ccccc3c2[O-])CC1=O ZINC000827554339 1320459968 /nfs/dbraw/zinc/45/99/68/1320459968.db2.gz CSCJOFPGUHXHFN-AWEZNQCLSA-N 0 1 326.440 3.282 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN1CCN([C@H](C)c2cccnc2)CC1 ZINC000840916004 1321176360 /nfs/dbraw/zinc/17/63/60/1321176360.db2.gz VLWHHNDIKIFBPJ-GOSISDBHSA-N 0 1 338.499 3.335 20 10 EGCDMN Cc1cc(N(C)C)ccc1CNc1ccccc1N1CCN(C)CC1 ZINC000840924947 1321179060 /nfs/dbraw/zinc/17/90/60/1321179060.db2.gz CBUWUKYVAQOKSC-UHFFFAOYSA-N 0 1 338.499 3.425 20 10 EGCDMN Oc1ccc(Br)cc1CN1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000840956297 1321185263 /nfs/dbraw/zinc/18/52/63/1321185263.db2.gz LRWARCMXDUSZSI-JKSUJKDBSA-N 0 1 348.240 3.463 20 10 EGCDMN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841746113 1321305678 /nfs/dbraw/zinc/30/56/78/1321305678.db2.gz CIYIXHFQYQYJNP-LBPRGKRZSA-N 0 1 348.830 3.021 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841760557 1321308247 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O=C(C1CCC1)N(CCC[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000733328422 575328150 /nfs/dbraw/zinc/32/81/50/575328150.db2.gz UKKAQGDXNWXEGQ-UHFFFAOYSA-N 0 1 336.863 3.316 20 10 EGCDMN CC[C@@H]1C[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C[C@H](C)O1 ZINC000736945440 576064111 /nfs/dbraw/zinc/06/41/11/576064111.db2.gz XUIBNMQNMWDWDD-GXTWGEPZSA-N 0 1 329.396 3.243 20 10 EGCDMN O=C([O-])c1occc1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000740281647 576573875 /nfs/dbraw/zinc/57/38/75/576573875.db2.gz ODVAERCJLOXCJW-UHFFFAOYSA-N 0 1 327.336 3.479 20 10 EGCDMN O=C([O-])c1occc1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000740281647 576573877 /nfs/dbraw/zinc/57/38/77/576573877.db2.gz ODVAERCJLOXCJW-UHFFFAOYSA-N 0 1 327.336 3.479 20 10 EGCDMN CCN(C)c1ccc(CN2CCN(c3ccccc3O)CC2)cc1 ZINC000741753169 576717073 /nfs/dbraw/zinc/71/70/73/576717073.db2.gz QOYZWAGVQRNJPT-UHFFFAOYSA-N 0 1 325.456 3.171 20 10 EGCDMN CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1=CC(=O)CS1 ZINC000743812889 576816277 /nfs/dbraw/zinc/81/62/77/576816277.db2.gz 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COc1cc(C)cc(CN(C)Cc2ccc([S@](C)=O)cc2)c1O ZINC000164461234 1294349100 /nfs/dbraw/zinc/34/91/00/1294349100.db2.gz MTBCDIVRKOWLMM-HSZRJFAPSA-N 0 1 333.453 3.079 20 10 EGCDMN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000195430516 1296066242 /nfs/dbraw/zinc/06/62/42/1296066242.db2.gz MINYBDVCNVHBHX-UHFFFAOYSA-N 0 1 337.471 3.365 20 10 EGCDMN C[C@@H](c1ccccc1)[N@@H+](CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527391 1296074418 /nfs/dbraw/zinc/07/44/18/1296074418.db2.gz IZPUFTBXYKJPMN-INIZCTEOSA-N 0 1 338.451 3.482 20 10 EGCDMN C[C@@H](c1ccccc1)N(CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527391 1296074431 /nfs/dbraw/zinc/07/44/31/1296074431.db2.gz IZPUFTBXYKJPMN-INIZCTEOSA-N 0 1 338.451 3.482 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]CC1(CO)CCCCC1 ZINC000227602839 1296144659 /nfs/dbraw/zinc/14/46/59/1296144659.db2.gz XJOUGHFVNBJOSI-UHFFFAOYSA-N 0 1 328.250 3.187 20 10 EGCDMN CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000300217078 1296779204 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ZINC000761185798 1301415796 /nfs/dbraw/zinc/41/57/96/1301415796.db2.gz YEEFKNZGIOEOSK-UHFFFAOYSA-N 0 1 328.412 3.122 20 10 EGCDMN C[C@@H]([NH2+]Cc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)cc1[O-] ZINC000883287289 1302365829 /nfs/dbraw/zinc/36/58/29/1302365829.db2.gz QNFDBZZLKBELOZ-GFCCVEGCSA-N 0 1 345.830 3.426 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768247786 1302867167 /nfs/dbraw/zinc/86/71/67/1302867167.db2.gz CZRMRGKIWWIKJJ-CQSZACIVSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768247786 1302867176 /nfs/dbraw/zinc/86/71/76/1302867176.db2.gz CZRMRGKIWWIKJJ-CQSZACIVSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000768247786 1302867183 /nfs/dbraw/zinc/86/71/83/1302867183.db2.gz CZRMRGKIWWIKJJ-CQSZACIVSA-N 0 1 340.851 3.487 20 10 EGCDMN CCCN(Cc1ccc(S(C)(=O)=O)cc1)Cc1ccccc1O ZINC000769201479 1303069756 /nfs/dbraw/zinc/06/97/56/1303069756.db2.gz UYVTTYLKXYJELA-UHFFFAOYSA-N 0 1 333.453 3.208 20 10 EGCDMN COc1cccc(O)c1CN1CCO[C@]2(CCc3ccccc32)C1 ZINC000769483324 1303123527 /nfs/dbraw/zinc/12/35/27/1303123527.db2.gz HUPDJMZKEOZJSC-HXUWFJFHSA-N 0 1 325.408 3.075 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000769515078 1303132931 /nfs/dbraw/zinc/13/29/31/1303132931.db2.gz NJCMVCKWTLUMHC-YPMHNXCESA-N 0 1 326.234 3.013 20 10 EGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1CC12CCC2 ZINC000771067586 1303355429 /nfs/dbraw/zinc/35/54/29/1303355429.db2.gz UPPLAMNDZKFVBL-JKSUJKDBSA-N 0 1 348.874 3.316 20 10 EGCDMN COc1ccc(O)c([C@H](C)NCc2csc(-c3cnn(C)c3)n2)c1 ZINC000775372156 1303948151 /nfs/dbraw/zinc/94/81/51/1303948151.db2.gz ZCOJWOGOGXBXIL-NSHDSACASA-N 0 1 344.440 3.109 20 10 EGCDMN CC[C@H]([NH2+]C[C@@H](C(C)C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775484294 1303970760 /nfs/dbraw/zinc/97/07/60/1303970760.db2.gz AOQYYXDVGGFTEO-IRXDYDNUSA-N 0 1 340.895 3.443 20 10 EGCDMN CC[C@H]([NH2+][C@@H](C)COCCOC)c1cc(Br)ccc1[O-] ZINC000775524474 1303978453 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/nfs/dbraw/zinc/86/79/82/1318867982.db2.gz NFHDLABGQJZDPM-UHFFFAOYSA-N 0 1 329.410 3.131 20 10 EGCDMN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@H]1C[C@@H]1C1CC1 ZINC000815834836 1319061313 /nfs/dbraw/zinc/06/13/13/1319061313.db2.gz BKRFBONDSNIUON-BBWFWOEESA-N 0 1 348.874 3.172 20 10 EGCDMN Oc1cc(F)c(Cl)cc1CN1CCN(c2ncccc2F)CC1 ZINC000816516255 1319173052 /nfs/dbraw/zinc/17/30/52/1319173052.db2.gz ZCUVBDFHPBVKCW-UHFFFAOYSA-N 0 1 339.773 3.041 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN(OC)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000817418559 1319355370 /nfs/dbraw/zinc/35/53/70/1319355370.db2.gz WMOPLQQETFHNBQ-CQSZACIVSA-N 0 1 332.366 3.478 20 10 EGCDMN C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817941233 1319470442 /nfs/dbraw/zinc/47/04/42/1319470442.db2.gz OBRWMMMTHLEPTA-SCZZXKLOSA-N 0 1 333.657 3.211 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H](N)c1ccc(N(C)C)cc1)c1cc(Cl)ccc1[O-] ZINC000817941920 1319470591 /nfs/dbraw/zinc/47/05/91/1319470591.db2.gz LSQYGKBBUGJHLF-SJKOYZFVSA-N 0 1 333.863 3.462 20 10 EGCDMN CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)c(C)cc2O)C1 ZINC000824561562 1320265396 /nfs/dbraw/zinc/26/53/96/1320265396.db2.gz ZSBLFJMQGQVAJY-CYBMUJFWSA-N 0 1 326.824 3.065 20 10 EGCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1cccs1 ZINC000825291849 1320323886 /nfs/dbraw/zinc/32/38/86/1320323886.db2.gz QSRNEEOUQCDGMZ-CQSZACIVSA-N 0 1 342.258 3.214 20 10 EGCDMN CC[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000825332252 1320328588 /nfs/dbraw/zinc/32/85/88/1320328588.db2.gz XXVAHVNGDGDMQJ-AWEZNQCLSA-N 0 1 328.250 3.450 20 10 EGCDMN COc1cc(CN2CCN(C(C)=O)CC2(C)C)c(O)c(C(C)(C)C)c1 ZINC000825451557 1320340161 /nfs/dbraw/zinc/34/01/61/1320340161.db2.gz XEIXFNZIHPCTCJ-UHFFFAOYSA-N 0 1 348.487 3.141 20 10 EGCDMN C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(Br)cc3O)C2)C1 ZINC000826016078 1320378029 /nfs/dbraw/zinc/37/80/29/1320378029.db2.gz GTJJTYRTIUDBGH-MRXNPFEDSA-N 0 1 339.277 3.072 20 10 EGCDMN Cc1cc(CN[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000838973253 1320845347 /nfs/dbraw/zinc/84/53/47/1320845347.db2.gz WKIHGHWIWVXNMZ-ZDUSSCGKSA-N 0 1 337.370 3.343 20 10 EGCDMN Cc1cncc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840758185 1321143017 /nfs/dbraw/zinc/14/30/17/1321143017.db2.gz DHDRPIINWZFGHM-AWEZNQCLSA-N 0 1 347.409 3.356 20 10 EGCDMN COc1cc(Cl)cc(CN2C[C@@H](O)C[C@@H]2c2ccccc2)c1O ZINC000840957204 1321186431 /nfs/dbraw/zinc/18/64/31/1321186431.db2.gz JESUHIVQJPICFL-JKSUJKDBSA-N 0 1 333.815 3.362 20 10 EGCDMN O=C1CCCN1[C@H]1CCC[N@H+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000840974800 1321192510 /nfs/dbraw/zinc/19/25/10/1321192510.db2.gz OXTKDGHXZLSBHQ-LBPRGKRZSA-N 0 1 340.826 3.162 20 10 EGCDMN [NH3+][C@@H]1Cc2ccccc2N(Cc2cccc(Br)c2[O-])C1 ZINC000841106320 1321218831 /nfs/dbraw/zinc/21/88/31/1321218831.db2.gz JXCXCIOHICHJFN-CYBMUJFWSA-N 0 1 333.229 3.045 20 10 EGCDMN C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1[O-])C(=O)NCc1ccccc1 ZINC000841746063 1321305199 /nfs/dbraw/zinc/30/51/99/1321305199.db2.gz BVLRYMABUVIUCW-STQMWFEESA-N 0 1 332.831 3.401 20 10 EGCDMN C[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841760560 1321307992 /nfs/dbraw/zinc/30/79/92/1321307992.db2.gz SNCZXHYVJNSDMU-WFASDCNBSA-N 0 1 336.863 3.487 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417939 1321515404 /nfs/dbraw/zinc/51/54/04/1321515404.db2.gz XNDROCBRFXKLRF-BXUZGUMPSA-N 0 1 340.807 3.345 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)c1[O-] ZINC000843419648 1321515624 /nfs/dbraw/zinc/51/56/24/1321515624.db2.gz NRNHGGMMRWFQDJ-GFCCVEGCSA-N 0 1 333.775 3.338 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@](C)(N)c2ccccc2)cc1 ZINC000844167262 1321575142 /nfs/dbraw/zinc/57/51/42/1321575142.db2.gz YSGJFBFJTFXJJA-OAQYLSRUSA-N 0 1 339.483 3.365 20 10 EGCDMN CCN(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000846472138 1321787845 /nfs/dbraw/zinc/78/78/45/1321787845.db2.gz HLJMLUGZXWWTFS-QGZVFWFLSA-N 0 1 332.831 3.355 20 10 EGCDMN CCc1cccc(CN[C@H](C)c2nc(-c3cc(C)ccn3)n[nH]2)c1O ZINC000848906899 1322041024 /nfs/dbraw/zinc/04/10/24/1322041024.db2.gz FCXAPEQZOLNROS-CYBMUJFWSA-N 0 1 337.427 3.294 20 10 EGCDMN O=C(Nc1cccc(N2CCOCC2)c1)c1c(O)cccc1Cl ZINC000920458911 1322181275 /nfs/dbraw/zinc/18/12/75/1322181275.db2.gz NAGZGYFFOJNMFZ-UHFFFAOYSA-N 0 1 332.787 3.135 20 10 EGCDMN C[C@@H]1C[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)c2c1c(F)ccc2[O-] ZINC000850563171 1322268745 /nfs/dbraw/zinc/26/87/45/1322268745.db2.gz TZLMMHUPQCJNQP-SPKLELGKSA-N 0 1 337.435 3.237 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CCO)c1[O-] ZINC000852456896 1323195310 /nfs/dbraw/zinc/19/53/10/1323195310.db2.gz MUTLUJPDKFAPIF-ZBEGNZNMSA-N 0 1 325.836 3.231 20 10 EGCDMN OC[C@H]1c2ccccc2CCN1Cc1c(O)cccc1Br ZINC000862245896 1329470534 /nfs/dbraw/zinc/47/05/34/1329470534.db2.gz AVRYUVTVSAGSNP-INIZCTEOSA-N 0 1 348.240 3.246 20 10 EGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCC[C@H]1O ZINC000862300119 1329474514 /nfs/dbraw/zinc/47/45/14/1329474514.db2.gz KQHULCWIGMNZHQ-BXUZGUMPSA-N 0 1 328.250 3.138 20 10 EGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCC[C@H]1O ZINC000862300119 1329474515 /nfs/dbraw/zinc/47/45/15/1329474515.db2.gz KQHULCWIGMNZHQ-BXUZGUMPSA-N 0 1 328.250 3.138 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000862359827 1329477714 /nfs/dbraw/zinc/47/77/14/1329477714.db2.gz RDRAQPMXBAMSPI-ZFWWWQNUSA-N 0 1 326.234 3.298 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000862359827 1329477717 /nfs/dbraw/zinc/47/77/17/1329477717.db2.gz RDRAQPMXBAMSPI-ZFWWWQNUSA-N 0 1 326.234 3.298 20 10 EGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862370093 1329478911 /nfs/dbraw/zinc/47/89/11/1329478911.db2.gz BINFITONOKYYSU-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CCC[C@]1(CO)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862370093 1329478912 /nfs/dbraw/zinc/47/89/12/1329478912.db2.gz BINFITONOKYYSU-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862370093 1329478913 /nfs/dbraw/zinc/47/89/13/1329478913.db2.gz 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EGCDMN CC[C@@H]([NH2+]CCC1(O)CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810241022 1317983928 /nfs/dbraw/zinc/98/39/28/1317983928.db2.gz KXVULCNUCFBREK-CQSZACIVSA-N 0 1 347.377 3.383 20 10 EGCDMN COc1cccc(O)c1C[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000811512541 1318189696 /nfs/dbraw/zinc/18/96/96/1318189696.db2.gz NZGZGERLPAOFGD-FQEVSTJZSA-N 0 1 325.408 3.371 20 10 EGCDMN Cc1cc(Br)cc(CN[C@@H](C)C[N@@H+](C)C(C)C)c1O ZINC000811512540 1318189998 /nfs/dbraw/zinc/18/99/98/1318189998.db2.gz NYOIOBSCGUKTBB-LBPRGKRZSA-N 0 1 329.282 3.281 20 10 EGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3cccc(Br)c3[O-])C2)c1 ZINC000811520276 1318194323 /nfs/dbraw/zinc/19/43/23/1318194323.db2.gz MVOGFCFSNAHPBB-ZDUSSCGKSA-N 0 1 336.233 3.107 20 10 EGCDMN CCC[N@H+]1CCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684030 1318619444 /nfs/dbraw/zinc/61/94/44/1318619444.db2.gz JFBXASWUQGIMTB-ZDUSSCGKSA-N 0 1 331.243 3.190 20 10 EGCDMN C[C@H](C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])CN(C)C ZINC000813878560 1318648397 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328.338 3.263 20 10 EGCDMN CC[C@@H]([NH2+]CCc1ccnn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810236263 1317983034 /nfs/dbraw/zinc/98/30/34/1317983034.db2.gz BBRNIHFJWKNZFH-CQSZACIVSA-N 0 1 327.350 3.428 20 10 EGCDMN C[C@@H](O)c1ncc(C(=O)NCc2cc(Cl)cc(Cl)c2O)s1 ZINC000813684809 1318619384 /nfs/dbraw/zinc/61/93/84/1318619384.db2.gz XLORIIPGRKGWRR-ZCFIWIBFSA-N 0 1 347.223 3.139 20 10 EGCDMN CN(Cc1cnn(-c2ccccc2)n1)Cc1cc(Cl)c(F)cc1O ZINC000816491261 1319166773 /nfs/dbraw/zinc/16/67/73/1319166773.db2.gz FXONGVXDRQIBRW-UHFFFAOYSA-N 0 1 346.793 3.397 20 10 EGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000816560583 1319183318 /nfs/dbraw/zinc/18/33/18/1319183318.db2.gz SZMCNWGAVIAOBX-QGZVFWFLSA-N 0 1 339.769 3.417 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CCO)CC2)c1 ZINC000817419265 1319356233 /nfs/dbraw/zinc/35/62/33/1319356233.db2.gz SCJDROFOAPDHMP-ZDUSSCGKSA-N 0 1 342.277 3.448 20 10 EGCDMN CC[C@@H](Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(Cl)c1[O-] ZINC000817951058 1319474793 /nfs/dbraw/zinc/47/47/93/1319474793.db2.gz AVDXQTUVODSRSE-MRXNPFEDSA-N 0 1 346.862 3.413 20 10 EGCDMN COc1ccc(CN(C)Cc2cc(C)cc(OC)c2O)c(OC)c1 ZINC000915818579 1319542275 /nfs/dbraw/zinc/54/22/75/1319542275.db2.gz UUAVTVNQROQIQN-UHFFFAOYSA-N 0 1 331.412 3.358 20 10 EGCDMN Cc1cc(N2CCCC2)ccc1NC(=O)c1c(F)ccc(O)c1O ZINC000823961165 1320218848 /nfs/dbraw/zinc/21/88/48/1320218848.db2.gz NAFYFXODFLHJIC-UHFFFAOYSA-N 0 1 330.359 3.398 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000824715551 1320279242 /nfs/dbraw/zinc/27/92/42/1320279242.db2.gz MFUCIGRWPKGJOR-GUTXKFCHSA-N 0 1 340.807 3.079 20 10 EGCDMN CO[C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])CC1(C)C ZINC000824820863 1320289184 /nfs/dbraw/zinc/28/91/84/1320289184.db2.gz OYEKUXRAYJPDNS-ZDUSSCGKSA-N 0 1 328.250 3.402 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000824845676 1320290485 /nfs/dbraw/zinc/29/04/85/1320290485.db2.gz MVGOSYNIBIRNPM-ZBFHGGJFSA-N 0 1 340.261 3.041 20 10 EGCDMN C[C@@H](O)c1ccc(C[NH2+]Cc2ccc(Br)cc2[O-])cc1 ZINC000825138489 1320314660 /nfs/dbraw/zinc/31/46/60/1320314660.db2.gz NMEVHYIQQFXHFN-LLVKDONJSA-N 0 1 336.229 3.498 20 10 EGCDMN CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])CCO1 ZINC000825406510 1320336309 /nfs/dbraw/zinc/33/63/09/1320336309.db2.gz UPOZVTGAAGWNKO-ZFWWWQNUSA-N 0 1 328.250 3.448 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@H](C)CNC(=O)OC(C)(C)C)cc1Cl ZINC000825537333 1320346251 /nfs/dbraw/zinc/34/62/51/1320346251.db2.gz VCYDAJMJMMQSQC-LLVKDONJSA-N 0 1 328.840 3.357 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C(=O)C1CCSCC1 ZINC000840926609 1321179091 /nfs/dbraw/zinc/17/90/91/1321179091.db2.gz GFIQMINPHSFXJE-UHFFFAOYSA-N 0 1 348.251 3.028 20 10 EGCDMN COC(=O)C[C@@](C)(NCc1ccc(N(C)C)cc1C)c1ccncc1 ZINC000840939382 1321181960 /nfs/dbraw/zinc/18/19/60/1321181960.db2.gz WYUZBDOFHMCDDJ-HXUWFJFHSA-N 0 1 341.455 3.024 20 10 EGCDMN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(Cl)cc1[O-] ZINC000841745013 1321305897 /nfs/dbraw/zinc/30/58/97/1321305897.db2.gz MJLUGFQMNRKCIC-FZMZJTMJSA-N 0 1 339.794 3.275 20 10 EGCDMN C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c1ccccc1)c1ccc(Cl)cc1[O-] ZINC000841751178 1321306786 /nfs/dbraw/zinc/30/67/86/1321306786.db2.gz MDHPHICKNFGWAV-XGWLTEMNSA-N 0 1 335.831 3.181 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC[C@H](c3cccnc3)C2)c1[O-] ZINC000843419649 1321515667 /nfs/dbraw/zinc/51/56/67/1321515667.db2.gz NRNHGGMMRWFQDJ-LBPRGKRZSA-N 0 1 333.775 3.338 20 10 EGCDMN CC[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000846106648 1321767801 /nfs/dbraw/zinc/76/78/01/1321767801.db2.gz DDQZEUJKCAWBOV-GDBMZVCRSA-N 0 1 347.377 3.383 20 10 EGCDMN Cc1cc(C[N@@H+](C)[C@@H](Cc2ccccc2)C(=O)[O-])ccc1N(C)C ZINC000846272475 1321781667 /nfs/dbraw/zinc/78/16/67/1321781667.db2.gz OTRYZKNBOFCLNQ-IBGZPJMESA-N 0 1 326.440 3.189 20 10 EGCDMN C[C@H](Cc1cnc[nH]1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000847474697 1321873971 /nfs/dbraw/zinc/87/39/71/1321873971.db2.gz UTRJUYPNRGFIQW-MRXNPFEDSA-N 0 1 340.471 3.141 20 10 EGCDMN COC(=O)/C=C/c1ccc(CNCc2ccc(N(C)C)cc2C)o1 ZINC000848896271 1322036494 /nfs/dbraw/zinc/03/64/94/1322036494.db2.gz WXBWNVOIBKOBJT-MDZDMXLPSA-N 0 1 328.412 3.130 20 10 EGCDMN Cc1cnc(OC2CCN(Cc3ccc(N(C)C)c(F)c3)CC2)nc1 ZINC000848925384 1322047196 /nfs/dbraw/zinc/04/71/96/1322047196.db2.gz UHPJKSVKEYMSKT-UHFFFAOYSA-N 0 1 344.434 3.034 20 10 EGCDMN COc1cc([N+](=O)[O-])ccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000850429740 1322247247 /nfs/dbraw/zinc/24/72/47/1322247247.db2.gz IISOAPYBMWSWAV-GFCCVEGCSA-N 0 1 328.368 3.389 20 10 EGCDMN C[C@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1[O-] ZINC000850558570 1322267313 /nfs/dbraw/zinc/26/73/13/1322267313.db2.gz ZZEKANRDFZBFDG-MAUKXSAKSA-N 0 1 340.467 3.449 20 10 EGCDMN C[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1ccc2ccccc2c1[O-] ZINC000850558569 1322267433 /nfs/dbraw/zinc/26/74/33/1322267433.db2.gz ZZEKANRDFZBFDG-CRAIPNDOSA-N 0 1 340.467 3.449 20 10 EGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3c(O)cccc3Br)C2)c1 ZINC000862372493 1329479520 /nfs/dbraw/zinc/47/95/20/1329479520.db2.gz MRQPQVWRJDGWTG-LBPRGKRZSA-N 0 1 336.233 3.107 20 10 EGCDMN Cc1cnn([C@H]2CC[N@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC000862372493 1329479521 /nfs/dbraw/zinc/47/95/21/1329479521.db2.gz MRQPQVWRJDGWTG-LBPRGKRZSA-N 0 1 336.233 3.107 20 10 EGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3c([O-])cccc3Br)C2)c1 ZINC000862372493 1329479523 /nfs/dbraw/zinc/47/95/23/1329479523.db2.gz MRQPQVWRJDGWTG-LBPRGKRZSA-N 0 1 336.233 3.107 20 10 EGCDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000862760107 1329507455 /nfs/dbraw/zinc/50/74/55/1329507455.db2.gz MLYXYVKMAJMOLD-IBGZPJMESA-N 0 1 338.451 3.372 20 10 EGCDMN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2Cc2ccccc2)c1 ZINC000862760107 1329507456 /nfs/dbraw/zinc/50/74/56/1329507456.db2.gz MLYXYVKMAJMOLD-IBGZPJMESA-N 0 1 338.451 3.372 20 10 EGCDMN Cc1ccc(CNCc2ccc(N3CCC(O)CC3)cc2)c(F)c1 ZINC000865633233 1329723079 /nfs/dbraw/zinc/72/30/79/1329723079.db2.gz ZDVKMCDQIQRLGE-UHFFFAOYSA-N 0 1 328.431 3.385 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN1Cc1cccc(Cl)c1O ZINC001231915115 1376351272 /nfs/dbraw/zinc/35/12/72/1376351272.db2.gz ZCXJSIFUXBMDIL-CYBMUJFWSA-N 0 1 326.824 3.444 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)c2ccn(-c3ccncc3)n2)cc1 ZINC001324654995 1387718917 /nfs/dbraw/zinc/71/89/17/1387718917.db2.gz VFKZTHLTUIKUOE-UHFFFAOYSA-N 0 1 349.438 3.044 20 10 EGCDMN COc1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1ccc(O)cc1 ZINC001190219332 1367202991 /nfs/dbraw/zinc/20/29/91/1367202991.db2.gz URTPTJPMZDUHSV-UHFFFAOYSA-N 0 1 347.314 3.220 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(O)ccc(F)c1F ZINC001192754565 1367868433 /nfs/dbraw/zinc/86/84/33/1367868433.db2.gz SUHLWVYYIQLWLC-UHFFFAOYSA-N 0 1 334.366 3.399 20 10 EGCDMN COc1nc(Cl)ccc1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193605963 1368071948 /nfs/dbraw/zinc/07/19/48/1368071948.db2.gz OXVRRBRLBPWOGG-UHFFFAOYSA-N 0 1 329.139 3.061 20 10 EGCDMN Cc1ccc(CNC(=O)c2cc(O)c(O)c(Cl)c2)c(F)c1F ZINC001193625594 1368077233 /nfs/dbraw/zinc/07/72/33/1368077233.db2.gz KPNGXWNFGCZSJR-UHFFFAOYSA-N 0 1 327.714 3.268 20 10 EGCDMN O=C(Nc1cccc2[nH]c(=O)ccc12)c1cc(O)c(O)c(Cl)c1 ZINC001193625518 1368077992 /nfs/dbraw/zinc/07/79/92/1368077992.db2.gz PAENPIIYXISXNX-UHFFFAOYSA-N 0 1 330.727 3.257 20 10 EGCDMN COc1ccc2c(c1)[C@@H](NC(=O)c1cc(O)c(O)c(Cl)c1)CC2 ZINC001193634579 1368080648 /nfs/dbraw/zinc/08/06/48/1368080648.db2.gz YMLFODGCFPQWLA-AWEZNQCLSA-N 0 1 333.771 3.177 20 10 EGCDMN CN(C)CCN(C)S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197155221 1368757418 /nfs/dbraw/zinc/75/74/18/1368757418.db2.gz WFBQUPNWNBAZLA-VHEBQXMUSA-N 0 1 346.456 3.284 20 10 EGCDMN CCOC(=O)N1CCC([N@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664210 1370207370 /nfs/dbraw/zinc/20/73/70/1370207370.db2.gz RARHLVSBCXIJDY-UHFFFAOYSA-N 0 1 326.824 3.098 20 10 EGCDMN CCOC(=O)N1CCC([N@@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC001203664210 1370207373 /nfs/dbraw/zinc/20/73/73/1370207373.db2.gz RARHLVSBCXIJDY-UHFFFAOYSA-N 0 1 326.824 3.098 20 10 EGCDMN COc1ccc(O[C@@H]2CC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665416 1370208022 /nfs/dbraw/zinc/20/80/22/1370208022.db2.gz JGKXYMJOQKLBSR-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN COc1ccc(O[C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665416 1370208027 /nfs/dbraw/zinc/20/80/27/1370208027.db2.gz JGKXYMJOQKLBSR-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN O=C1OC2(CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)c2cnccc21 ZINC001203664645 1370208333 /nfs/dbraw/zinc/20/83/33/1370208333.db2.gz OWSOBZOOFSTZMH-UHFFFAOYSA-N 0 1 344.798 3.102 20 10 EGCDMN COc1ccc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665245 1370208643 /nfs/dbraw/zinc/20/86/43/1370208643.db2.gz DPQOSELITVIGTL-INIZCTEOSA-N 0 1 348.830 3.493 20 10 EGCDMN COc1ccc(O[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665245 1370208647 /nfs/dbraw/zinc/20/86/47/1370208647.db2.gz DPQOSELITVIGTL-INIZCTEOSA-N 0 1 348.830 3.493 20 10 EGCDMN Cc1cnc(O[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665648 1370209085 /nfs/dbraw/zinc/20/90/85/1370209085.db2.gz RGIODKDYAYIUQI-HNNXBMFYSA-N 0 1 333.819 3.187 20 10 EGCDMN Cc1cnc(O[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nc1 ZINC001203665648 1370209090 /nfs/dbraw/zinc/20/90/90/1370209090.db2.gz RGIODKDYAYIUQI-HNNXBMFYSA-N 0 1 333.819 3.187 20 10 EGCDMN COc1ccc(O)c(CN2CCC[C@H]2C(=O)Nc2ccccc2)c1 ZINC001203680618 1370216393 /nfs/dbraw/zinc/21/63/93/1370216393.db2.gz AMBKQZRGQHFUAT-KRWDZBQOSA-N 0 1 326.396 3.004 20 10 EGCDMN O=C(OCc1ccccc1)[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203884818 1370298976 /nfs/dbraw/zinc/29/89/76/1370298976.db2.gz ZOBYGMUDGGWXOO-QGZVFWFLSA-N 0 1 341.407 3.053 20 10 EGCDMN CN(C)c1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC001203930570 1370317624 /nfs/dbraw/zinc/31/76/24/1370317624.db2.gz ZHYDIHGMLSTYRZ-UHFFFAOYSA-N 0 1 327.447 3.210 20 10 EGCDMN CCOC(=O)C1(F)CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001204326423 1370444839 /nfs/dbraw/zinc/44/48/39/1370444839.db2.gz HJZUTCVFJDHGPT-UHFFFAOYSA-N 0 1 334.435 3.154 20 10 EGCDMN COc1cc(CN2CCC(OCc3ccccc3)CC2)cc(O)c1O ZINC001204343558 1370448784 /nfs/dbraw/zinc/44/87/84/1370448784.db2.gz SZFCVILYYSRWPJ-UHFFFAOYSA-N 0 1 343.423 3.288 20 10 EGCDMN COc1ccccc1C1CCN(Cc2cc(O)c(O)c(OC)c2)CC1 ZINC001204346307 1370449667 /nfs/dbraw/zinc/44/96/67/1370449667.db2.gz MUEUDOCAYOLQSP-UHFFFAOYSA-N 0 1 343.423 3.495 20 10 EGCDMN COc1ccc(N2CCN(CCOCc3ccccc3)CC2)c(C)c1 ZINC001207236910 1371338532 /nfs/dbraw/zinc/33/85/32/1371338532.db2.gz CAXPSKSMZMKBOH-UHFFFAOYSA-N 0 1 340.467 3.342 20 10 EGCDMN Cc1cc(N)ncc1Nc1cccc2c1C(=O)c1cccc(N)c1C2=O ZINC001209970237 1372244041 /nfs/dbraw/zinc/24/40/41/1372244041.db2.gz YJXTYKNEVXSNLO-UHFFFAOYSA-N 0 1 344.374 3.073 20 10 EGCDMN NCc1ccc2c(n1)N(C(=O)c1ccccc1-c1cccnc1)CCC2 ZINC001188043492 1388226737 /nfs/dbraw/zinc/22/67/37/1388226737.db2.gz VMTFANDCSYBRKS-UHFFFAOYSA-N 0 1 344.418 3.195 20 10 EGCDMN COc1nccc(-c2noc(-c3cc(O)c(O)c(Cl)c3)n2)c1F ZINC001216976784 1373374237 /nfs/dbraw/zinc/37/42/37/1373374237.db2.gz JRIDYOUYRHMISP-UHFFFAOYSA-N 0 1 337.694 3.011 20 10 EGCDMN Cc1ccccc1O[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231563026 1376265903 /nfs/dbraw/zinc/26/59/03/1376265903.db2.gz DDVFBAXKYOGFRM-MRXNPFEDSA-N 0 1 327.380 3.052 20 10 EGCDMN COc1cc(CN2CCN(c3cccc(C)c3C)CC2)c(O)cc1O ZINC001231636622 1376288468 /nfs/dbraw/zinc/28/84/68/1376288468.db2.gz YKKWQBGGTBAXOD-UHFFFAOYSA-N 0 1 342.439 3.045 20 10 EGCDMN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231866595 1376329176 /nfs/dbraw/zinc/32/91/76/1376329176.db2.gz GJKJESVTEZXPTP-ZWKOTPCHSA-N 0 1 339.863 3.372 20 10 EGCDMN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1cc(Cl)c(C)cc1[O-])C2 ZINC001231866595 1376329182 /nfs/dbraw/zinc/32/91/82/1376329182.db2.gz GJKJESVTEZXPTP-ZWKOTPCHSA-N 0 1 339.863 3.372 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1Cl ZINC001231868230 1376330696 /nfs/dbraw/zinc/33/06/96/1376330696.db2.gz SLZJXUZAGIAXHR-IRXDYDNUSA-N 0 1 348.874 3.329 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)cc1Cl ZINC001231868230 1376330706 /nfs/dbraw/zinc/33/07/06/1376330706.db2.gz SLZJXUZAGIAXHR-IRXDYDNUSA-N 0 1 348.874 3.329 20 10 EGCDMN O=C(Nc1ccccc1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231911409 1376346237 /nfs/dbraw/zinc/34/62/37/1376346237.db2.gz DKIPIKOAWGBQLB-UHFFFAOYSA-N 0 1 345.830 3.395 20 10 EGCDMN O=C1c2ccccc2[C@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC001231910333 1376347409 /nfs/dbraw/zinc/34/74/09/1376347409.db2.gz LSEVFIRAQDHTPB-MRXNPFEDSA-N 0 1 328.799 3.058 20 10 EGCDMN O=C1c2ccccc2[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])CCN12 ZINC001231910333 1376347417 /nfs/dbraw/zinc/34/74/17/1376347417.db2.gz LSEVFIRAQDHTPB-MRXNPFEDSA-N 0 1 328.799 3.058 20 10 EGCDMN COc1cccnc1O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC001231913266 1376349625 /nfs/dbraw/zinc/34/96/25/1376349625.db2.gz KCRZFAIMTUBGSK-CYBMUJFWSA-N 0 1 334.803 3.103 20 10 EGCDMN CCOc1ccc(N2CCN(Cc3cc(C)nc(C)c3)CC2)cc1 ZINC001232005299 1376380703 /nfs/dbraw/zinc/38/07/03/1376380703.db2.gz UKMSTKZTMGJRNF-UHFFFAOYSA-N 0 1 325.456 3.419 20 10 EGCDMN COC(=O)c1ccc2c(c1)C[N@@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233077324 1376563078 /nfs/dbraw/zinc/56/30/78/1376563078.db2.gz JBXKNRNGRARLJB-UHFFFAOYSA-N 0 1 333.334 3.015 20 10 EGCDMN COC(=O)c1ccc2c(c1)C[N@H+](Cc1ccc(F)c(F)c1[O-])CC2 ZINC001233077324 1376563080 /nfs/dbraw/zinc/56/30/80/1376563080.db2.gz JBXKNRNGRARLJB-UHFFFAOYSA-N 0 1 333.334 3.015 20 10 EGCDMN COc1cc(Cl)cc(CN2CCC(Oc3ccncc3)CC2)c1O ZINC001233288025 1376604759 /nfs/dbraw/zinc/60/47/59/1376604759.db2.gz RXNGONIDJIBNDL-UHFFFAOYSA-N 0 1 348.830 3.493 20 10 EGCDMN [O-]c1cc(C(F)(F)F)ccc1C[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001233451920 1376649668 /nfs/dbraw/zinc/64/96/68/1376649668.db2.gz DNXANAXTHBOLKN-AWEZNQCLSA-N 0 1 329.362 3.396 20 10 EGCDMN C[N@@H+](Cc1cccc(OC(F)(F)F)c1O)[C@H]1CCC2(C1)OCCO2 ZINC001233776084 1376714069 /nfs/dbraw/zinc/71/40/69/1376714069.db2.gz JOFBBWKSSAORPS-LBPRGKRZSA-N 0 1 347.333 3.018 20 10 EGCDMN C[N@H+](Cc1cccc(OC(F)(F)F)c1[O-])[C@H]1CCC2(C1)OCCO2 ZINC001233776084 1376714076 /nfs/dbraw/zinc/71/40/76/1376714076.db2.gz JOFBBWKSSAORPS-LBPRGKRZSA-N 0 1 347.333 3.018 20 10 EGCDMN 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CC[N@@H+](CCC(=O)C1CC1)Cc1cc(Br)ccc1O ZINC000767411487 1302663757 /nfs/dbraw/zinc/66/37/57/1302663757.db2.gz JLQCYPAYOSBPOA-UHFFFAOYSA-N 0 1 326.234 3.346 20 10 EGCDMN CC[N@H+](CCC(=O)C1CC1)Cc1cc(Br)ccc1[O-] ZINC000767411487 1302663769 /nfs/dbraw/zinc/66/37/69/1302663769.db2.gz JLQCYPAYOSBPOA-UHFFFAOYSA-N 0 1 326.234 3.346 20 10 EGCDMN COc1cccc(O)c1CN1CCN(c2cccc(Cl)c2)CC1 ZINC000768140783 1302833759 /nfs/dbraw/zinc/83/37/59/1302833759.db2.gz JYTMZHLTWTXXLL-UHFFFAOYSA-N 0 1 332.831 3.376 20 10 EGCDMN COc1cccc(O)c1C[NH+]1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000768226378 1302858463 /nfs/dbraw/zinc/85/84/63/1302858463.db2.gz NGIBNAGUVAOQMA-UHFFFAOYSA-N 0 1 341.407 3.201 20 10 EGCDMN CCCCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@@H]3O)C1(C)C ZINC000768464453 1302910850 /nfs/dbraw/zinc/91/08/50/1302910850.db2.gz RVIPWMDWDFWFQZ-QXAKKESOSA-N 0 1 349.471 3.234 20 10 EGCDMN CCN(CC)c1ccc(C[N@H+](C)CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774547402 1303826535 /nfs/dbraw/zinc/82/65/35/1303826535.db2.gz NEIFKVKWVZLMGO-UHFFFAOYSA-N 0 1 345.409 3.033 20 10 EGCDMN CCN(CC)c1ccc(C[N@@H+](C)CCC[N-]C(=O)C(F)(F)F)cc1 ZINC000774547402 1303826538 /nfs/dbraw/zinc/82/65/38/1303826538.db2.gz NEIFKVKWVZLMGO-UHFFFAOYSA-N 0 1 345.409 3.033 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834751 1303864436 /nfs/dbraw/zinc/86/44/36/1303864436.db2.gz XVDSOYDXMLXPKL-CQSZACIVSA-N 0 1 329.356 3.041 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2ccccn2)ccc1[N+](=O)[O-] ZINC000774834751 1303864444 /nfs/dbraw/zinc/86/44/44/1303864444.db2.gz XVDSOYDXMLXPKL-CQSZACIVSA-N 0 1 329.356 3.041 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000774879628 1303871907 /nfs/dbraw/zinc/87/19/07/1303871907.db2.gz JNJWWDVTOGKMDT-ZDUSSCGKSA-N 0 1 346.358 3.438 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](c3cccc(F)c3)C2)ccc1[N+](=O)[O-] ZINC000774879628 1303871912 /nfs/dbraw/zinc/87/19/12/1303871912.db2.gz JNJWWDVTOGKMDT-ZDUSSCGKSA-N 0 1 346.358 3.438 20 10 EGCDMN COc1c(O)c(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774904209 1303875667 /nfs/dbraw/zinc/87/56/67/1303875667.db2.gz QCOBAXFBBCDFTN-OAHLLOKOSA-N 0 1 328.368 3.126 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774904209 1303875670 /nfs/dbraw/zinc/87/56/70/1303875670.db2.gz QCOBAXFBBCDFTN-OAHLLOKOSA-N 0 1 328.368 3.126 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CC[C@@H]2Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000774904209 1303875674 /nfs/dbraw/zinc/87/56/74/1303875674.db2.gz QCOBAXFBBCDFTN-OAHLLOKOSA-N 0 1 328.368 3.126 20 10 EGCDMN CCS[C@H]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774913719 1303876547 /nfs/dbraw/zinc/87/65/47/1303876547.db2.gz OZUKKRWZZXSCMX-OLZOCXBDSA-N 0 1 340.445 3.415 20 10 EGCDMN CC[C@@H]([NH2+][C@@H](C)COCCOC)c1cc(Br)ccc1[O-] ZINC000775524476 1303978341 /nfs/dbraw/zinc/97/83/41/1303978341.db2.gz ABKDXDQCPWFLCD-SMDDNHRTSA-N 0 1 346.265 3.247 20 10 EGCDMN CC[C@@H]([NH2+]CC1(N(C)C)CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775506711 1303976534 /nfs/dbraw/zinc/97/65/34/1303976534.db2.gz CNMUFFSSUHVWPK-OAHLLOKOSA-N 0 1 326.868 3.197 20 10 EGCDMN CC[C@H]([NH2+][C@@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1[O-] ZINC000775527011 1303979573 /nfs/dbraw/zinc/97/95/73/1303979573.db2.gz VFSOCSDBLSYSAX-UKPHBRMFSA-N 0 1 325.836 3.424 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCOCC3(CCCC3)C2)c1[O-] ZINC000776010205 1304078389 /nfs/dbraw/zinc/07/83/89/1304078389.db2.gz ZEKBEZNKPFIGMM-UHFFFAOYSA-N 0 1 340.807 3.346 20 10 EGCDMN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000776806666 1304202296 /nfs/dbraw/zinc/20/22/96/1304202296.db2.gz FLVMJJUTXIIMOC-STQMWFEESA-N 0 1 340.851 3.392 20 10 EGCDMN COc1ccc(CN2C[C@@H](C)O[C@@H](c3ccccc3)C2)c(O)c1OC ZINC000891806028 1305173111 /nfs/dbraw/zinc/17/31/11/1305173111.db2.gz UWAGMSYVIJBXEN-RDTXWAMCSA-N 0 1 343.423 3.371 20 10 EGCDMN COc1ccc(CN[C@@H]2COc3c2cccc3Cl)c(O)c1OC ZINC000893135773 1305726248 /nfs/dbraw/zinc/72/62/48/1305726248.db2.gz SVAJRYCPFKNVKR-CYBMUJFWSA-N 0 1 335.787 3.286 20 10 EGCDMN CC[C@H](NCc1cc(C)cc(OC)c1O)c1nnc2n1CCCCC2 ZINC000894213218 1306280644 /nfs/dbraw/zinc/28/06/44/1306280644.db2.gz MSHJWRJBYYTGMS-HNNXBMFYSA-N 0 1 344.459 3.268 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc(O)c1O ZINC000807838169 1317591386 /nfs/dbraw/zinc/59/13/86/1317591386.db2.gz KCJOULBSLQTPTI-UHFFFAOYSA-N 0 1 328.151 3.040 20 10 EGCDMN Cc1noc(C[C@H]2CCC[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000897577246 1310391218 /nfs/dbraw/zinc/39/12/18/1310391218.db2.gz QCLAARXGWKCTKO-LLVKDONJSA-N 0 1 339.798 3.331 20 10 EGCDMN Cc1cccc(CN(C)CC(=O)N(C)[C@H](C)c2ccccc2)c1O ZINC000800543624 1310780746 /nfs/dbraw/zinc/78/07/46/1310780746.db2.gz GATOQEJDXHTCEJ-MRXNPFEDSA-N 0 1 326.440 3.352 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCCNc1ccccn1 ZINC000825429345 1320337589 /nfs/dbraw/zinc/33/75/89/1320337589.db2.gz LBZQBEKWXOZEEW-UHFFFAOYSA-N 0 1 336.233 3.142 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)cc1Cl ZINC000825738209 1320359808 /nfs/dbraw/zinc/35/98/08/1320359808.db2.gz KHQZKBDMVKASJX-LLVKDONJSA-N 0 1 328.840 3.357 20 10 EGCDMN CC(C)[N@H+]1CC[C@@H](N(C)Cc2cccc(Br)c2[O-])C1 ZINC000825332071 1320328797 /nfs/dbraw/zinc/32/87/97/1320328797.db2.gz QNWNURMRIBYOPJ-CYBMUJFWSA-N 0 1 327.266 3.069 20 10 EGCDMN CC(C)N1CC[C@@H]([N@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000825332071 1320328800 /nfs/dbraw/zinc/32/88/00/1320328800.db2.gz QNWNURMRIBYOPJ-CYBMUJFWSA-N 0 1 327.266 3.069 20 10 EGCDMN CC(C)N1CC[C@@H]([N@@H+](C)Cc2cccc(Br)c2[O-])C1 ZINC000825332071 1320328805 /nfs/dbraw/zinc/32/88/05/1320328805.db2.gz QNWNURMRIBYOPJ-CYBMUJFWSA-N 0 1 327.266 3.069 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1C[C@H](C)Cc2c[nH]nc21 ZINC000857846142 1328600292 /nfs/dbraw/zinc/60/02/92/1328600292.db2.gz XTMIVSYWTSZQDF-RDTXWAMCSA-N 0 1 340.471 3.190 20 10 EGCDMN COc1ccc(N2CCN(C[C@H](OC)c3ccccc3)CC2)cc1 ZINC000801911163 1316964967 /nfs/dbraw/zinc/96/49/67/1316964967.db2.gz VHQVNXIYGRVIRE-FQEVSTJZSA-N 0 1 326.440 3.205 20 10 EGCDMN CN(C)c1ccc(C[N@@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])cc1F ZINC000902003463 1317507552 /nfs/dbraw/zinc/50/75/52/1317507552.db2.gz CJUWSRIGMGGZPI-GOSISDBHSA-N 0 1 330.403 3.019 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2nccn2c1 ZINC000807834574 1317589688 /nfs/dbraw/zinc/58/96/88/1317589688.db2.gz OBCOHHXLCIPFIP-UHFFFAOYSA-N 0 1 336.178 3.277 20 10 EGCDMN COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(O)c1 ZINC000807836893 1317590592 /nfs/dbraw/zinc/59/05/92/1317590592.db2.gz SZDOPBNJIHEYEP-UHFFFAOYSA-N 0 1 342.178 3.343 20 10 EGCDMN CS(=O)(=O)c1cccnc1NCc1cc(Cl)cc(Cl)c1O ZINC000808088710 1317621619 /nfs/dbraw/zinc/62/16/19/1317621619.db2.gz AOSUJPQHPFJMFP-UHFFFAOYSA-N 0 1 347.223 3.110 20 10 EGCDMN COc1cc(OC)nc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808090271 1317622103 /nfs/dbraw/zinc/62/21/03/1317622103.db2.gz WVYJQLHRLGLENG-UHFFFAOYSA-N 0 1 330.171 3.118 20 10 EGCDMN O=S(=O)(Nc1cc(Cl)c(O)cc1F)c1ccc2c(c1)CCC2 ZINC000808114398 1317626344 /nfs/dbraw/zinc/62/63/44/1317626344.db2.gz WROYIBRCVILWNX-UHFFFAOYSA-N 0 1 341.791 3.474 20 10 EGCDMN O=C([O-])[C@@H](CC[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000903992204 1317762984 /nfs/dbraw/zinc/76/29/84/1317762984.db2.gz AXMLLRQYHFZJRQ-ZDUSSCGKSA-N 0 1 335.350 3.094 20 10 EGCDMN Cc1cccc(C[C@H](C[NH2+]Cc2cc(F)cc(F)c2O)C(=O)[O-])c1 ZINC000903993780 1317763804 /nfs/dbraw/zinc/76/38/04/1317763804.db2.gz LNMRXMFYDYDCPD-CQSZACIVSA-N 0 1 335.350 3.012 20 10 EGCDMN COc1ccc2nc(CNCc3cccc(OC)c3O)sc2c1 ZINC000809740221 1317886033 /nfs/dbraw/zinc/88/60/33/1317886033.db2.gz QDHNCHVGTXMOKZ-UHFFFAOYSA-N 0 1 330.409 3.309 20 10 EGCDMN CNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000809779072 1317897746 /nfs/dbraw/zinc/89/77/46/1317897746.db2.gz CPCYVOTZFKALTB-GFCCVEGCSA-N 0 1 347.242 3.410 20 10 EGCDMN CCC[C@]1(CO)CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000809790984 1317902081 /nfs/dbraw/zinc/90/20/81/1317902081.db2.gz RHKKZHMPQYTGRY-INIZCTEOSA-N 0 1 342.277 3.448 20 10 EGCDMN CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810213035 1317977234 /nfs/dbraw/zinc/97/72/34/1317977234.db2.gz KKQPCDDSSYJJJV-ONGXEEELSA-N 0 1 331.256 3.375 20 10 EGCDMN CN(C)c1ccnc(CNC(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000905618970 1317973635 /nfs/dbraw/zinc/97/36/35/1317973635.db2.gz RDUMTPCKCZUYGR-UHFFFAOYSA-N 0 1 326.469 3.123 20 10 EGCDMN CC[C@H]([NH2+]C[C@@](C)(O)CCOC)c1ccc(C(F)(F)F)cc1[O-] ZINC000810219275 1317978630 /nfs/dbraw/zinc/97/86/30/1317978630.db2.gz PGJZQVRGZXERLD-ZFWWWQNUSA-N 0 1 335.366 3.239 20 10 EGCDMN CC[C@H]([NH2+]CCc1cncn1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238090 1317984502 /nfs/dbraw/zinc/98/45/02/1317984502.db2.gz YAJFNCUDDVMWGL-AWEZNQCLSA-N 0 1 327.350 3.428 20 10 EGCDMN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000811513420 1318193116 /nfs/dbraw/zinc/19/31/16/1318193116.db2.gz YZCDAWTWVMYEQC-ZDUSSCGKSA-N 0 1 328.378 3.139 20 10 EGCDMN COc1cc(Cl)cc(CNCc2cn3cc(C)ccc3n2)c1O ZINC000811633800 1318215240 /nfs/dbraw/zinc/21/52/40/1318215240.db2.gz UAEPYJZIYNIVPT-UHFFFAOYSA-N 0 1 331.803 3.300 20 10 EGCDMN CC(C)(C)N1CC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000908275241 1318324047 /nfs/dbraw/zinc/32/40/47/1318324047.db2.gz NRPQWXBWHWPJER-OAHLLOKOSA-N 0 1 349.438 3.208 20 10 EGCDMN Cn1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)c(C2CC2)n1 ZINC000813684374 1318619649 /nfs/dbraw/zinc/61/96/49/1318619649.db2.gz PJHJBZWFFUQVTI-UHFFFAOYSA-N 0 1 340.210 3.240 20 10 EGCDMN O=C(C[C@H]1CCCC[C@@H]1O)NCc1cc(Cl)cc(Cl)c1O ZINC000813682571 1318620000 /nfs/dbraw/zinc/62/00/00/1318620000.db2.gz FZFYQPOMVOTUPK-RNCFNFMXSA-N 0 1 332.227 3.256 20 10 EGCDMN Cc1nc(CN2CCN(Cc3ccc(N(C)C)c(C)c3)CC2)cs1 ZINC000815011534 1318865734 /nfs/dbraw/zinc/86/57/34/1318865734.db2.gz PZDFAHHINYWNSP-UHFFFAOYSA-N 0 1 344.528 3.144 20 10 EGCDMN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816520590 1319174798 /nfs/dbraw/zinc/17/47/98/1319174798.db2.gz SMMUGTVYVGGTSD-AWEZNQCLSA-N 0 1 339.798 3.098 20 10 EGCDMN CC(C)[C@]1(CO)CCC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000816662224 1319202686 /nfs/dbraw/zinc/20/26/86/1319202686.db2.gz KOUQTIVZOXXIFW-MRXNPFEDSA-N 0 1 342.277 3.385 20 10 EGCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000816662224 1319202695 /nfs/dbraw/zinc/20/26/95/1319202695.db2.gz KOUQTIVZOXXIFW-MRXNPFEDSA-N 0 1 342.277 3.385 20 10 EGCDMN CCCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000914482214 1319334578 /nfs/dbraw/zinc/33/45/78/1319334578.db2.gz XKVGMNNSHRPVHU-UHFFFAOYSA-N 0 1 326.444 3.233 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccncc1Cl ZINC000817573320 1319399262 /nfs/dbraw/zinc/39/92/62/1319399262.db2.gz CBHNTDJRZNNHSB-CQSZACIVSA-N 0 1 331.847 3.422 20 10 EGCDMN COC(=O)c1ccc([O-])c([C@@H](C)NCC[NH2+]C2CCCCCC2)c1 ZINC000817960824 1319478076 /nfs/dbraw/zinc/47/80/76/1319478076.db2.gz RFCBJAXZZKSWIK-CQSZACIVSA-N 0 1 334.460 3.142 20 10 EGCDMN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3cccs3)[nH]n2)cc1 ZINC000915680847 1319518416 /nfs/dbraw/zinc/51/84/16/1319518416.db2.gz DXLAFWPYQXFTBR-UHFFFAOYSA-N 0 1 340.452 3.476 20 10 EGCDMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C)n1-c1ccccc1C ZINC000819719842 1319778039 /nfs/dbraw/zinc/77/80/39/1319778039.db2.gz IDRXFTJJNKKNNH-INIZCTEOSA-N 0 1 349.438 3.150 20 10 EGCDMN CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(C)c(C)cc1O ZINC000819900587 1319797259 /nfs/dbraw/zinc/79/72/59/1319797259.db2.gz FHMKXZIHEUXMOB-LJQANCHMSA-N 0 1 338.451 3.072 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCc2nc[nH]c2C1 ZINC000819973418 1319813562 /nfs/dbraw/zinc/81/35/62/1319813562.db2.gz XGCRKJRFAWJNQQ-UHFFFAOYSA-N 0 1 334.423 3.324 20 10 EGCDMN CC(C)CO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926541 1320296576 /nfs/dbraw/zinc/29/65/76/1320296576.db2.gz FUOCDGWJZLVCDB-CQSZACIVSA-N 0 1 328.250 3.402 20 10 EGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000824926541 1320296581 /nfs/dbraw/zinc/29/65/81/1320296581.db2.gz FUOCDGWJZLVCDB-CQSZACIVSA-N 0 1 328.250 3.402 20 10 EGCDMN C[C@H](C[C@@H](O)c1ccco1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825396460 1320334580 /nfs/dbraw/zinc/33/45/80/1320334580.db2.gz ULJPLNVXLOTXLM-QMTHXVAHSA-N 0 1 340.217 3.350 20 10 EGCDMN C[C@H](NCc1cnc(C2CC2)nc1)c1ccc(N2CCOCC2)cc1 ZINC000838917072 1320834023 /nfs/dbraw/zinc/83/40/23/1320834023.db2.gz ZAVJYGKLJRPZAP-HNNXBMFYSA-N 0 1 338.455 3.041 20 10 EGCDMN COc1cc2c(c(OC)c1)N(Cc1n[nH]c(C(C)(C)C)n1)CCC2 ZINC000839654436 1320952021 /nfs/dbraw/zinc/95/20/21/1320952021.db2.gz HPJAGCGZUZJCPM-UHFFFAOYSA-N 0 1 330.432 3.072 20 10 EGCDMN C[C@@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 ZINC000839772204 1320974671 /nfs/dbraw/zinc/97/46/71/1320974671.db2.gz ZLNKDTHRTNCJDO-VIFPVBQESA-N 0 1 342.226 3.243 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN1CCN([C@@H](C)c2cccnc2)CC1 ZINC000840916005 1321176959 /nfs/dbraw/zinc/17/69/59/1321176959.db2.gz VLWHHNDIKIFBPJ-SFHVURJKSA-N 0 1 338.499 3.335 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841748224 1321306301 /nfs/dbraw/zinc/30/63/01/1321306301.db2.gz JLMKKZGDFNDRSR-DYVFJYSZSA-N 0 1 344.842 3.497 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(Cl)cc1[O-] ZINC000841760559 1321308153 /nfs/dbraw/zinc/30/81/53/1321308153.db2.gz SNCZXHYVJNSDMU-SWLSCSKDSA-N 0 1 336.863 3.487 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CCCC[C@@H]2[C@@H](C)[NH3+])c1 ZINC000843046295 1321461305 /nfs/dbraw/zinc/46/13/05/1321461305.db2.gz QZTRXAGVSWBJQY-BXUZGUMPSA-N 0 1 327.266 3.165 20 10 EGCDMN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000848921001 1322046195 /nfs/dbraw/zinc/04/61/95/1322046195.db2.gz NRPYAKWMBJJDCQ-IBGZPJMESA-N 0 1 338.451 3.282 20 10 EGCDMN CCCN1CC[C@H]([NH2+][C@H](C)c2cc(Br)ccc2[O-])C1 ZINC000850555729 1322265738 /nfs/dbraw/zinc/26/57/38/1322265738.db2.gz PTEBXVSTFCJLBV-YPMHNXCESA-N 0 1 327.266 3.290 20 10 EGCDMN Cc1cc(C(F)(F)F)nn1CC[NH2+]Cc1c([O-])cccc1Cl ZINC000922429603 1322527916 /nfs/dbraw/zinc/52/79/16/1322527916.db2.gz NMLKGUNWJXAJNE-UHFFFAOYSA-N 0 1 333.741 3.359 20 10 EGCDMN COc1ccnc([C@@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000924791829 1323164544 /nfs/dbraw/zinc/16/45/44/1323164544.db2.gz BKAPVCHOCVLWAV-JKSUJKDBSA-N 0 1 341.455 3.339 20 10 EGCDMN Cc1cc(Br)cc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)c1O ZINC000854244083 1325234816 /nfs/dbraw/zinc/23/48/16/1325234816.db2.gz OXYAHNLFCDFBAD-UHFFFAOYSA-N 0 1 344.249 3.396 20 10 EGCDMN O=C(Nc1nc(C(F)(F)F)cs1)c1cc(O)c(O)c(Cl)c1 ZINC001193589302 1368067624 /nfs/dbraw/zinc/06/76/24/1368067624.db2.gz HYAXPKBPFVHMBB-UHFFFAOYSA-N 0 1 338.694 3.479 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000862359657 1329477875 /nfs/dbraw/zinc/47/78/75/1329477875.db2.gz PKYAFOORRVQWJM-OAHLLOKOSA-N 0 1 326.234 3.157 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000862359657 1329477876 /nfs/dbraw/zinc/47/78/76/1329477876.db2.gz PKYAFOORRVQWJM-OAHLLOKOSA-N 0 1 326.234 3.157 20 10 EGCDMN Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000862228289 1329468173 /nfs/dbraw/zinc/46/81/73/1329468173.db2.gz QALCDNPLBODFLK-LLVKDONJSA-N 0 1 336.233 3.257 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000862228289 1329468175 /nfs/dbraw/zinc/46/81/75/1329468175.db2.gz QALCDNPLBODFLK-LLVKDONJSA-N 0 1 336.233 3.257 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000862228289 1329468177 /nfs/dbraw/zinc/46/81/77/1329468177.db2.gz QALCDNPLBODFLK-LLVKDONJSA-N 0 1 336.233 3.257 20 10 EGCDMN Oc1cccc(Br)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000862228291 1329468274 /nfs/dbraw/zinc/46/82/74/1329468274.db2.gz QALCDNPLBODFLK-NSHDSACASA-N 0 1 336.233 3.257 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000862228291 1329468275 /nfs/dbraw/zinc/46/82/75/1329468275.db2.gz QALCDNPLBODFLK-NSHDSACASA-N 0 1 336.233 3.257 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000862228291 1329468276 /nfs/dbraw/zinc/46/82/76/1329468276.db2.gz QALCDNPLBODFLK-NSHDSACASA-N 0 1 336.233 3.257 20 10 EGCDMN CN(C)c1cc(F)c(CN2CCC[C@H](C3(C)OCCO3)C2)cc1F ZINC000862322569 1329474992 /nfs/dbraw/zinc/47/49/92/1329474992.db2.gz NPJDTFVZLSDVQY-AWEZNQCLSA-N 0 1 340.414 3.006 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000862387385 1329480986 /nfs/dbraw/zinc/48/09/86/1329480986.db2.gz KNSCJKSDGHFPST-ZDUSSCGKSA-N 0 1 328.275 3.482 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000862387385 1329480988 /nfs/dbraw/zinc/48/09/88/1329480988.db2.gz KNSCJKSDGHFPST-ZDUSSCGKSA-N 0 1 328.275 3.482 20 10 EGCDMN CC(C)[N@@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C1 ZINC000862390155 1329481567 /nfs/dbraw/zinc/48/15/67/1329481567.db2.gz BJNCFOJAVDGWDU-LBPRGKRZSA-N 0 1 327.266 3.069 20 10 EGCDMN CC(C)[N@H+]1CC[C@H](N(C)Cc2c([O-])cccc2Br)C1 ZINC000862390155 1329481569 /nfs/dbraw/zinc/48/15/69/1329481569.db2.gz BJNCFOJAVDGWDU-LBPRGKRZSA-N 0 1 327.266 3.069 20 10 EGCDMN C[C@@]1(CO)CCC[N@@H+](Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233028168 1376557132 /nfs/dbraw/zinc/55/71/32/1376557132.db2.gz JITVXZUPYCYDML-OAHLLOKOSA-N 0 1 346.240 3.278 20 10 EGCDMN CC(=O)C1CCN(Cc2cc(Br)cc(C)c2O)CC1 ZINC001233109759 1376570592 /nfs/dbraw/zinc/57/05/92/1376570592.db2.gz CPEUXUOKCNFMEV-UHFFFAOYSA-N 0 1 326.234 3.264 20 10 EGCDMN Cc1cc(Br)cc(CN2CC[C@H]3CCCO[C@H]3C2)c1O ZINC001233108401 1376570911 /nfs/dbraw/zinc/57/09/11/1376570911.db2.gz MCNCXZPXWNGASS-DOMZBBRYSA-N 0 1 340.261 3.464 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2ccncc2)[nH]n1 ZINC001189325426 1366990245 /nfs/dbraw/zinc/99/02/45/1366990245.db2.gz VWKXGKGOQRTCMV-UHFFFAOYSA-N 0 1 349.438 3.200 20 10 EGCDMN O=C(Nc1cnc2ccc(O)cc2c1)c1cc(O)c(O)c(Cl)c1 ZINC001193605312 1368072151 /nfs/dbraw/zinc/07/21/51/1368072151.db2.gz DMWKCTPOOMPMRS-UHFFFAOYSA-N 0 1 330.727 3.257 20 10 EGCDMN COc1cccc(CN(C)Cc2cncc(Br)c2)c1O ZINC001203588999 1370180449 /nfs/dbraw/zinc/18/04/49/1370180449.db2.gz AMWLRJZPNSEMES-UHFFFAOYSA-N 0 1 337.217 3.190 20 10 EGCDMN COc1cccc(CN2CCN([C@@H](C)c3ccc(F)cc3)CC2)c1O ZINC001203602204 1370184149 /nfs/dbraw/zinc/18/41/49/1370184149.db2.gz IIOKSOSSWAYMSM-HNNXBMFYSA-N 0 1 344.430 3.419 20 10 EGCDMN COc1ccc(CN(C)Cc2ncccc2C(F)(F)F)c(O)c1 ZINC001203621295 1370190267 /nfs/dbraw/zinc/19/02/67/1370190267.db2.gz RTTMORCUFSQJHR-UHFFFAOYSA-N 0 1 326.318 3.447 20 10 EGCDMN COc1ccc(O)c(CN2CCN([C@H](C)c3ccc(F)cc3)CC2)c1 ZINC001203684154 1370216896 /nfs/dbraw/zinc/21/68/96/1370216896.db2.gz NSBRIZCSYATQJD-OAHLLOKOSA-N 0 1 344.430 3.419 20 10 EGCDMN COc1cc(CN2CCC3(CC(OCC4CC4)C3)CC2)cc(O)c1O ZINC001204342137 1370448173 /nfs/dbraw/zinc/44/81/73/1370448173.db2.gz JTDRYTHOHQXTTL-UHFFFAOYSA-N 0 1 347.455 3.278 20 10 EGCDMN CCOc1ccc(N2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC001116348250 1370890768 /nfs/dbraw/zinc/89/07/68/1370890768.db2.gz SMXMECGBAOQXGF-UHFFFAOYSA-N 0 1 326.440 3.416 20 10 EGCDMN N[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206222119 1370997208 /nfs/dbraw/zinc/99/72/08/1370997208.db2.gz LXWKHDFUJILIJZ-NSHDSACASA-N 0 1 329.149 3.165 20 10 EGCDMN N[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001206222119 1370997210 /nfs/dbraw/zinc/99/72/10/1370997210.db2.gz LXWKHDFUJILIJZ-NSHDSACASA-N 0 1 329.149 3.165 20 10 EGCDMN CN1Cc2ccccc2[C@@H]([NH2+]Cc2c([O-])cccc2Br)C1 ZINC001118801116 1371232488 /nfs/dbraw/zinc/23/24/88/1371232488.db2.gz MJDWTFYZUYYEJV-INIZCTEOSA-N 0 1 347.256 3.431 20 10 EGCDMN COc1ccc(N2CCN(CCOc3ccccc3)CC2)c(C)c1 ZINC001209299926 1372063554 /nfs/dbraw/zinc/06/35/54/1372063554.db2.gz LAQAZNGZDZYNMY-UHFFFAOYSA-N 0 1 326.440 3.205 20 10 EGCDMN CC(C)C(=O)N1CC(OC2=CC(=O)C=CC2=N[N-]c2cccc[nH+]2)C1 ZINC001227492603 1375437584 /nfs/dbraw/zinc/43/75/84/1375437584.db2.gz SDBIHDZWSTUNQJ-QZQOTICOSA-N 0 1 340.383 3.448 20 10 EGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@H](Oc3ccccc3)C2)c1 ZINC001231563044 1376264941 /nfs/dbraw/zinc/26/49/41/1376264941.db2.gz DKXTYUVGYFGMBU-KRWDZBQOSA-N 0 1 327.380 3.134 20 10 EGCDMN COc1cccc([C@H]2CCC[N@H+]2Cc2cc(C(=O)[O-])ccc2O)c1 ZINC001231566046 1376267799 /nfs/dbraw/zinc/26/77/99/1376267799.db2.gz OHYZBRSUIQNRHW-QGZVFWFLSA-N 0 1 327.380 3.436 20 10 EGCDMN COc1cccc(O[C@H]2CC[N@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871289 1376332886 /nfs/dbraw/zinc/33/28/86/1376332886.db2.gz IWUGZEUQFDDOTI-AWEZNQCLSA-N 0 1 348.830 3.411 20 10 EGCDMN COc1cccc(O[C@H]2CC[N@@H+](Cc3cc(Cl)c(C)cc3[O-])C2)n1 ZINC001231871289 1376332891 /nfs/dbraw/zinc/33/28/91/1376332891.db2.gz IWUGZEUQFDDOTI-AWEZNQCLSA-N 0 1 348.830 3.411 20 10 EGCDMN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cccc(Cl)c2O)C[C@@H]1F ZINC001231912498 1376349165 /nfs/dbraw/zinc/34/91/65/1376349165.db2.gz JBBVZNZHVGMNCE-QWHCGFSZSA-N 0 1 344.814 3.093 20 10 EGCDMN C[C@@H]1CN(C(=O)c2ccccc2)CCN1Cc1cccc(Cl)c1O ZINC001231913819 1376349578 /nfs/dbraw/zinc/34/95/78/1376349578.db2.gz SOWINOOIANZJDK-CQSZACIVSA-N 0 1 344.842 3.392 20 10 EGCDMN C[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+]1Cc1cccc(Cl)c1[O-] ZINC001231913819 1376349586 /nfs/dbraw/zinc/34/95/86/1376349586.db2.gz SOWINOOIANZJDK-CQSZACIVSA-N 0 1 344.842 3.392 20 10 EGCDMN C[C@@H]1CN(C(=O)c2ccccc2)CC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC001231913819 1376349596 /nfs/dbraw/zinc/34/95/96/1376349596.db2.gz SOWINOOIANZJDK-CQSZACIVSA-N 0 1 344.842 3.392 20 10 EGCDMN Oc1c(Cl)cccc1CN1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001231913758 1376349985 /nfs/dbraw/zinc/34/99/85/1376349985.db2.gz RFYAPIPHUOTNEA-CQSZACIVSA-N 0 1 330.806 3.351 20 10 EGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCN2CCc3ccccc3[C@H]2C1 ZINC001231914852 1376350842 /nfs/dbraw/zinc/35/08/42/1376350842.db2.gz SOPVBWMYXQQBQJ-GOSISDBHSA-N 0 1 328.843 3.461 20 10 EGCDMN COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCCC23CC3)c1 ZINC001233306139 1376608163 /nfs/dbraw/zinc/60/81/63/1376608163.db2.gz GUESDJVFOJFPSE-UHFFFAOYSA-N 0 1 340.217 3.070 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC001233334968 1376618131 /nfs/dbraw/zinc/61/81/31/1376618131.db2.gz BRPASQIPPVZNQZ-MAUKXSAKSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001233334968 1376618139 /nfs/dbraw/zinc/61/81/39/1376618139.db2.gz BRPASQIPPVZNQZ-MAUKXSAKSA-N 0 1 344.405 3.377 20 10 EGCDMN Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(C(F)(F)F)c3[O-])C2)no1 ZINC001233416056 1376641573 /nfs/dbraw/zinc/64/15/73/1376641573.db2.gz UTGSKYJXTAKIFM-LBPRGKRZSA-N 0 1 341.333 3.482 20 10 EGCDMN CN(Cc1cccc(OC(F)(F)F)c1)Cc1cc(O)c(O)cc1O ZINC001233487535 1376653333 /nfs/dbraw/zinc/65/33/33/1376653333.db2.gz HWDLDHDCUUNWBG-UHFFFAOYSA-N 0 1 343.301 3.334 20 10 EGCDMN Oc1c(Br)cc(F)cc1CN1CCc2ncccc2C1 ZINC001235304297 1376867150 /nfs/dbraw/zinc/86/71/50/1376867150.db2.gz WTGZMOYIPKVCHM-UHFFFAOYSA-N 0 1 337.192 3.247 20 10 EGCDMN C[C@]1(O)CCCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2O)C1 ZINC001237054030 1376970678 /nfs/dbraw/zinc/97/06/78/1376970678.db2.gz SXYSLLFCBANKIS-HNNXBMFYSA-N 0 1 333.350 3.070 20 10 EGCDMN COC(=O)c1ccc(OC)c(CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC001137249566 1377504101 /nfs/dbraw/zinc/50/41/01/1377504101.db2.gz CRUSPFFYSBZMIS-UHFFFAOYSA-N 0 1 342.439 3.180 20 10 EGCDMN C[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C[N@H+]1Cc1c([O-])cccc1F ZINC001137838890 1377626893 /nfs/dbraw/zinc/62/68/93/1377626893.db2.gz MDZOINGRBODWLE-CHWSQXEVSA-N 0 1 338.423 3.409 20 10 EGCDMN Cc1cc(CN2CCO[C@@H]3C[C@@H](CO)C[C@H]32)c(C)n1-c1ccccc1 ZINC001137856058 1377631917 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3.406 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+](Cc1cccnc1)C1CCOCC1 ZINC001139683582 1377933746 /nfs/dbraw/zinc/93/37/46/1377933746.db2.gz NFMUWXDMLDHSHO-UHFFFAOYSA-N 0 1 334.366 3.247 20 10 EGCDMN CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139682748 1377933902 /nfs/dbraw/zinc/93/39/02/1377933902.db2.gz BPFWGYDCUCCWHA-GOSISDBHSA-N 0 1 338.398 3.037 20 10 EGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3c(O)cccc3Br)CC[C@H]2O1 ZINC001140100641 1378007414 /nfs/dbraw/zinc/00/74/14/1378007414.db2.gz XRNSBZHBDCJRMT-ZIBATOQPSA-N 0 1 326.234 3.154 20 10 EGCDMN C[C@H]1C[C@H]2C[N@H+](Cc3c([O-])cccc3Br)CC[C@H]2O1 ZINC001140100641 1378007416 /nfs/dbraw/zinc/00/74/16/1378007416.db2.gz XRNSBZHBDCJRMT-ZIBATOQPSA-N 0 1 326.234 3.154 20 10 EGCDMN C[C@H]1C[C@H]2C[N@@H+](Cc3c([O-])cccc3Br)CC[C@H]2O1 ZINC001140100641 1378007417 /nfs/dbraw/zinc/00/74/17/1378007417.db2.gz XRNSBZHBDCJRMT-ZIBATOQPSA-N 0 1 326.234 3.154 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH+]1CCC2(CCOC2)CC1 ZINC001140098652 1378007579 /nfs/dbraw/zinc/00/75/79/1378007579.db2.gz JRQMKBQRPCPLLN-UHFFFAOYSA-N 0 1 326.234 3.157 20 10 EGCDMN CCN(CC)C(=O)NC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC001140342638 1378049892 /nfs/dbraw/zinc/04/98/92/1378049892.db2.gz ROSBAGYYZVARAS-UHFFFAOYSA-N 0 1 339.867 3.061 20 10 EGCDMN Cc1ccnc(O[C@@H]2CCC[N@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC001140342631 1378050250 /nfs/dbraw/zinc/05/02/50/1378050250.db2.gz RNAVRGFPEBHTGX-CYBMUJFWSA-N 0 1 333.819 3.187 20 10 EGCDMN Cc1ccnc(O[C@@H]2CCC[N@@H+](Cc3c([O-])cccc3Cl)C2)n1 ZINC001140342631 1378050252 /nfs/dbraw/zinc/05/02/52/1378050252.db2.gz RNAVRGFPEBHTGX-CYBMUJFWSA-N 0 1 333.819 3.187 20 10 EGCDMN COC(=O)c1ccc(C2C[NH+](Cc3ccc(Cl)cc3[O-])C2)cc1 ZINC001140464206 1378066782 /nfs/dbraw/zinc/06/67/82/1378066782.db2.gz GSHJAICRJUMMBD-UHFFFAOYSA-N 0 1 331.799 3.432 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466614 1378068998 /nfs/dbraw/zinc/06/89/98/1378068998.db2.gz IASLPYXCQXYSGC-LBPRGKRZSA-N 0 1 340.851 3.392 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466614 1378068999 /nfs/dbraw/zinc/06/89/99/1378068999.db2.gz IASLPYXCQXYSGC-LBPRGKRZSA-N 0 1 340.851 3.392 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466455 1378069169 /nfs/dbraw/zinc/06/91/69/1378069169.db2.gz GGKOOWQEJFCWIT-CQSZACIVSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[O-])C1 ZINC001140466455 1378069170 /nfs/dbraw/zinc/06/91/70/1378069170.db2.gz GGKOOWQEJFCWIT-CQSZACIVSA-N 0 1 340.851 3.487 20 10 EGCDMN Cc1ccc(O)c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1 ZINC001140621660 1378100468 /nfs/dbraw/zinc/10/04/68/1378100468.db2.gz OHZHHVXHQVPNMO-KRWDZBQOSA-N 0 1 343.471 3.206 20 10 EGCDMN Cc1c(O)ccc(CN2CCN(Cc3ccccc3Cl)CC2)c1O ZINC001140745377 1378128418 /nfs/dbraw/zinc/12/84/18/1378128418.db2.gz HROGHCOJXWXHMX-UHFFFAOYSA-N 0 1 346.858 3.377 20 10 EGCDMN Cc1c(O)ccc(CN2CCO[C@](C)(c3ccc(F)cc3)C2)c1O ZINC001140749006 1378129071 /nfs/dbraw/zinc/12/90/71/1378129071.db2.gz NYAMVAICDBORAH-IBGZPJMESA-N 0 1 331.387 3.293 20 10 EGCDMN CCN(CC)c1ccc(CN2CCC[C@H]2c2nc(C)no2)c(O)c1 ZINC001140856363 1378159591 /nfs/dbraw/zinc/15/95/91/1378159591.db2.gz ZIILMYXLKCIZCB-INIZCTEOSA-N 0 1 330.432 3.267 20 10 EGCDMN Cc1ccc(C[N@H+]2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)c(O)c1 ZINC001140950565 1378189819 /nfs/dbraw/zinc/18/98/19/1378189819.db2.gz YTFOCYHKJNCOOE-WBVHZDCISA-N 0 1 343.496 3.254 20 10 EGCDMN Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C(N)=O)c2ccccc2)c(O)c1 ZINC001140951098 1378189906 /nfs/dbraw/zinc/18/99/06/1378189906.db2.gz YUWLDQDGBFQBMX-UYAOXDASSA-N 0 1 338.451 3.324 20 10 EGCDMN Cc1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C2)c(O)c1 ZINC001140950652 1378190468 /nfs/dbraw/zinc/19/04/68/1378190468.db2.gz AOJIGUDINLMBCI-RDJZCZTQSA-N 0 1 346.471 3.389 20 10 EGCDMN CC(C)(C)c1cccc(CN2CCN(c3nccs3)CC2)c1O ZINC001143103748 1378540736 /nfs/dbraw/zinc/54/07/36/1378540736.db2.gz JUQUBZIFEXXMRF-UHFFFAOYSA-N 0 1 331.485 3.468 20 10 EGCDMN COC[C@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299020 1378713411 /nfs/dbraw/zinc/71/34/11/1378713411.db2.gz OWOXZCCELNIULU-LLVKDONJSA-N 0 1 332.213 3.295 20 10 EGCDMN CC[C@@]12C[C@@H](CO1)N(Cc1cc(Br)c(F)cc1O)C2 ZINC001144306780 1378714259 /nfs/dbraw/zinc/71/42/59/1378714259.db2.gz QCXOXIRIJOJHNQ-HZMBPMFUSA-N 0 1 330.197 3.047 20 10 EGCDMN Oc1cc(O)c(CN2CCc3c(cccc3C(F)(F)F)C2)c(O)c1 ZINC001144515143 1378740033 /nfs/dbraw/zinc/74/00/33/1378740033.db2.gz FEKDWIZOXIDVFD-UHFFFAOYSA-N 0 1 339.313 3.381 20 10 EGCDMN CCOC(=O)c1cc2ccc(N(CC)Cc3ccccc3O)nc2[nH]1 ZINC001154888963 1380373645 /nfs/dbraw/zinc/37/36/45/1380373645.db2.gz MHEMQKAPOAWEEX-UHFFFAOYSA-N 0 1 339.395 3.472 20 10 EGCDMN COc1cc(Cl)cc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC001156655766 1380605483 /nfs/dbraw/zinc/60/54/83/1380605483.db2.gz JKXZYNVZKQHTGZ-UHFFFAOYSA-N 0 1 346.862 3.108 20 10 EGCDMN CCc1ncc(Cl)nc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC001167426209 1383631266 /nfs/dbraw/zinc/63/12/66/1383631266.db2.gz BQUXVPVVUIIWHS-UHFFFAOYSA-N 0 1 345.878 3.056 20 10 EGCDMN COc1ccc(C[C@@H](C)[N@H+]2CCc3cccc(O)c3C2)c([N+](=O)[O-])c1 ZINC001170352673 1384298141 /nfs/dbraw/zinc/29/81/41/1384298141.db2.gz PVIHTDZWEOLABK-CYBMUJFWSA-N 0 1 342.395 3.298 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)C(=O)NCC(F)(F)F)c1ccc2ccccc2c1[O-] ZINC001320420012 1386605336 /nfs/dbraw/zinc/60/53/36/1386605336.db2.gz JPAQODZQHRRKEW-MNOVXSKESA-N 0 1 340.345 3.263 20 10 EGCDMN C[C@H]([NH2+]C[C@H](CO)CC1CCOCC1)c1cc(Cl)ccc1[O-] ZINC001320878874 1386745535 /nfs/dbraw/zinc/74/55/35/1386745535.db2.gz CXQLIFWYTJYRLP-GXTWGEPZSA-N 0 1 327.852 3.121 20 10 EGCDMN O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](CF)C2)c1[O-] ZINC001333314772 1390282378 /nfs/dbraw/zinc/28/23/78/1390282378.db2.gz WHFKECILGFECGU-ZDUSSCGKSA-N 0 1 329.371 3.120 20 10 EGCDMN COC(=O)c1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)o1 ZINC001346818579 1390980524 /nfs/dbraw/zinc/98/05/24/1390980524.db2.gz DFBMJYNZPVEMTK-UHFFFAOYSA-N 0 1 344.150 3.009 20 10 EGCDMN COc1ccc(C[NH2+][C@@H]2CCCc3cc(-c4nn[n-]n4)ccc32)cc1C ZINC000826202635 1430159728 /nfs/dbraw/zinc/15/97/28/1430159728.db2.gz GVWHTZBKOCMORE-GOSISDBHSA-N 0 1 349.438 3.351 20 10 EGCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000840995390 979295941 /nfs/dbraw/zinc/29/59/41/979295941.db2.gz DXHLTFNEZLZIPN-OAHLLOKOSA-N 0 1 330.453 3.291 20 10 EGCDMN Cc1cc(C[N@@H+](CC(=O)[O-])C2CCOCC2)ccc1N1CCCCC1 ZINC000846274247 979439914 /nfs/dbraw/zinc/43/99/14/979439914.db2.gz DXQWYCVUJLGNLT-UHFFFAOYSA-N 0 1 346.471 3.051 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000863738822 979675325 /nfs/dbraw/zinc/67/53/25/979675325.db2.gz FHSSYYCRZJFLOV-CMPLNLGQSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1 ZINC000863738822 979675330 /nfs/dbraw/zinc/67/53/30/979675330.db2.gz FHSSYYCRZJFLOV-CMPLNLGQSA-N 0 1 342.233 3.006 20 10 EGCDMN CCc1cccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1O ZINC001597587220 988409362 /nfs/dbraw/zinc/40/93/62/988409362.db2.gz RKVAVJTTWSBJFP-CQSZACIVSA-N 0 1 346.452 3.489 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C(=O)[O-])c(C)c2)cc1 ZINC001599584037 993589446 /nfs/dbraw/zinc/58/94/46/993589446.db2.gz LNXALBVGCAUZMS-UHFFFAOYSA-N 0 1 342.439 3.270 20 10 EGCDMN COC1CCC(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)CC1 ZINC001599101239 997387357 /nfs/dbraw/zinc/38/73/57/997387357.db2.gz LIOOBIJMWIGBDS-UHFFFAOYSA-N 0 1 341.835 3.137 20 10 EGCDMN CCN(Cc1ccnn1CC)Cc1cc(Br)ccc1O ZINC000180221292 455149221 /nfs/dbraw/zinc/14/92/21/455149221.db2.gz HGIFPZQNWQHHFP-UHFFFAOYSA-N 0 1 338.249 3.393 20 10 EGCDMN CN(C)c1ccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)cc1 ZINC000008280672 453186004 /nfs/dbraw/zinc/18/60/04/453186004.db2.gz SJDDDJICMHISTA-UHFFFAOYSA-N 0 1 334.423 3.415 20 10 EGCDMN COc1ccc(OC)c2c1CN(Cc1cc(C)c(C)cc1O)C[C@@H]2O ZINC000029543374 453829741 /nfs/dbraw/zinc/82/97/41/453829741.db2.gz IRYDUJFTSBVTJN-KRWDZBQOSA-N 0 1 343.423 3.075 20 10 EGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000119584090 454205965 /nfs/dbraw/zinc/20/59/65/454205965.db2.gz AFLPQECVISXSNE-OAHLLOKOSA-N 0 1 335.831 3.055 20 10 EGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000119584090 454205969 /nfs/dbraw/zinc/20/59/69/454205969.db2.gz AFLPQECVISXSNE-OAHLLOKOSA-N 0 1 335.831 3.055 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000121774186 454474952 /nfs/dbraw/zinc/47/49/52/454474952.db2.gz JENXOWPRAOTYJH-ZDUSSCGKSA-N 0 1 342.830 3.468 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000121774186 454474958 /nfs/dbraw/zinc/47/49/58/454474958.db2.gz JENXOWPRAOTYJH-ZDUSSCGKSA-N 0 1 342.830 3.468 20 10 EGCDMN CCCN(CC(=O)Nc1nnc(C(C)C)s1)Cc1ccccc1O ZINC000137009724 454765076 /nfs/dbraw/zinc/76/50/76/454765076.db2.gz MSYJQLSYOJIESG-UHFFFAOYSA-N 0 1 348.472 3.218 20 10 EGCDMN CCCNC(=O)c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113323266 454922603 /nfs/dbraw/zinc/92/26/03/454922603.db2.gz BIDXTQQIRVYSHV-UHFFFAOYSA-N 0 1 332.831 3.475 20 10 EGCDMN O=C1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[O-])CN1Cc1ccccc1 ZINC000179052010 455003206 /nfs/dbraw/zinc/00/32/06/455003206.db2.gz FRVROFVJYYQTNU-OAHLLOKOSA-N 0 1 344.842 3.184 20 10 EGCDMN C[C@H]([NH2+]CCc1nnc2n1CCCCC2)c1cc(Cl)ccc1[O-] ZINC000184955480 455478529 /nfs/dbraw/zinc/47/85/29/455478529.db2.gz ZODPWQACNAFSQU-LBPRGKRZSA-N 0 1 334.851 3.257 20 10 EGCDMN C[C@H](NC[C@@H](O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 ZINC000268878560 455716980 /nfs/dbraw/zinc/71/69/80/455716980.db2.gz XBBIPZXTVGUPGA-XHDPSFHLSA-N 0 1 334.357 3.390 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293830616 455797876 /nfs/dbraw/zinc/79/78/76/455797876.db2.gz GLOHHKLOOPUNER-AWEZNQCLSA-N 0 1 326.234 3.034 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293830616 455797870 /nfs/dbraw/zinc/79/78/70/455797870.db2.gz GLOHHKLOOPUNER-AWEZNQCLSA-N 0 1 326.234 3.034 20 10 EGCDMN CCSCC[C@@H](C)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278307246 455812508 /nfs/dbraw/zinc/81/25/08/455812508.db2.gz WKFSFKDICMHXKN-LLVKDONJSA-N 0 1 328.434 3.273 20 10 EGCDMN CC1(C)C[C@@H](O)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000295286631 455845182 /nfs/dbraw/zinc/84/51/82/455845182.db2.gz UBSYQXVZVNRSJU-ZDUSSCGKSA-N 0 1 328.250 3.138 20 10 EGCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000295286631 455845188 /nfs/dbraw/zinc/84/51/88/455845188.db2.gz UBSYQXVZVNRSJU-ZDUSSCGKSA-N 0 1 328.250 3.138 20 10 EGCDMN Oc1c(Cl)cc(Cl)cc1CNc1ncn(CC(F)(F)F)n1 ZINC000195167415 455928421 /nfs/dbraw/zinc/92/84/21/455928421.db2.gz XXZTYHWPWXCWPN-UHFFFAOYSA-N 0 1 341.120 3.465 20 10 EGCDMN CN(C)c1ccc(CN[C@@H](C[S@](C)=O)c2ccccc2)cc1F ZINC000272738985 456056410 /nfs/dbraw/zinc/05/64/10/456056410.db2.gz IEDFFOZUHKSRCO-SBUREZEXSA-N 0 1 334.460 3.101 20 10 EGCDMN Cc1ccc([C@H](NCc2cccc(C)c2O)[C@@H](C)S(C)(=O)=O)cc1 ZINC000280844620 456064568 /nfs/dbraw/zinc/06/45/68/456064568.db2.gz YSHDWIZXGGXFBY-CRAIPNDOSA-N 0 1 347.480 3.273 20 10 EGCDMN Cc1cc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000272796875 456072189 /nfs/dbraw/zinc/07/21/89/456072189.db2.gz ULMGMLWNVSNBGH-MRXNPFEDSA-N 0 1 337.467 3.474 20 10 EGCDMN C[C@H]([NH2+][C@H](CO)C[C@@H](O)c1ccccc1)c1cc(Cl)ccc1[O-] ZINC000273344676 456223473 /nfs/dbraw/zinc/22/34/73/456223473.db2.gz AIJFARAYGXGQDY-XLWVJDPXSA-N 0 1 335.831 3.181 20 10 EGCDMN C[C@@H]([NH2+]CCNc1ccccn1)c1ccc(Br)cc1[O-] ZINC000273575664 456239065 /nfs/dbraw/zinc/23/90/65/456239065.db2.gz LRYXWIINQBJVJB-LLVKDONJSA-N 0 1 336.233 3.312 20 10 EGCDMN CCN(Cc1cnn(C)c1)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000299543445 456724133 /nfs/dbraw/zinc/72/41/33/456724133.db2.gz AKBRYSXXQRBFBU-UHFFFAOYSA-N 0 1 342.487 3.057 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371327196 457868788 /nfs/dbraw/zinc/86/87/88/457868788.db2.gz MIEPMADJFGRQJN-NEPJUHHUSA-N 0 1 326.234 3.013 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000371327196 457868796 /nfs/dbraw/zinc/86/87/96/457868796.db2.gz MIEPMADJFGRQJN-NEPJUHHUSA-N 0 1 326.234 3.013 20 10 EGCDMN 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343.423 3.293 20 10 EGCDMN CC(C)CNC(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741709510 576712505 /nfs/dbraw/zinc/71/25/05/576712505.db2.gz LTCSFXQTDVUOTN-QGZVFWFLSA-N 0 1 331.504 3.269 20 10 EGCDMN CC1CCN(C(=O)CN(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000741711836 576712596 /nfs/dbraw/zinc/71/25/96/576712596.db2.gz OBMLNWHBOYFWGQ-UHFFFAOYSA-N 0 1 343.515 3.367 20 10 EGCDMN O=C([O-])c1cc2ccccc2c(C[N@H+]2CCC3(C2)CCOCC3)c1O ZINC000833307292 600722137 /nfs/dbraw/zinc/72/21/37/600722137.db2.gz HPIGZMLVMKUTKD-UHFFFAOYSA-N 0 1 341.407 3.246 20 10 EGCDMN COc1cccc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1O ZINC000833735098 604538268 /nfs/dbraw/zinc/53/82/68/604538268.db2.gz FDBYRRUMCSPLFM-CQSZACIVSA-N 0 1 329.396 3.124 20 10 EGCDMN CC1=C(C(=O)[O-])C[C@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000833583289 605337968 /nfs/dbraw/zinc/33/79/68/605337968.db2.gz JDLNYMRONKVCRK-MRXNPFEDSA-N 0 1 331.412 3.284 20 10 EGCDMN CCCN(Cc1cc(C(C)C)c(C)cc1O)[C@@H]1CCS(=O)(=O)C1 ZINC000022013950 1291208752 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[O-]c1ccc(Cl)cc1C[NH2+][C@H](CO)Cc1c[nH]c2ccccc12 ZINC000734844920 575559436 /nfs/dbraw/zinc/55/94/36/575559436.db2.gz DIBMKIZGCYTTPI-HNNXBMFYSA-N 0 1 330.815 3.220 20 10 EGCDMN CC(C)(C)c1cc(C[N@@H+]2CCO[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000736295448 575928478 /nfs/dbraw/zinc/92/84/78/575928478.db2.gz YVSNIUGCPWMWIH-MRXNPFEDSA-N 0 1 349.471 3.273 20 10 EGCDMN CC(C)(C)c1cc(C[N@H+]2CCO[C@@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000736295448 575928481 /nfs/dbraw/zinc/92/84/81/575928481.db2.gz YVSNIUGCPWMWIH-MRXNPFEDSA-N 0 1 349.471 3.273 20 10 EGCDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc(Cl)ccc1O ZINC000739795607 576505852 /nfs/dbraw/zinc/50/58/52/576505852.db2.gz OOHWADVVEXLGEO-UHFFFAOYSA-N 0 1 341.741 3.411 20 10 EGCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000743259716 576804358 /nfs/dbraw/zinc/80/43/58/576804358.db2.gz LSYCVSHZBVWFAK-UHFFFAOYSA-N 0 1 327.789 3.163 20 10 EGCDMN CCOC(=O)CC[N@@H+](Cc1c([O-])ccc2ccncc21)CC1CC1 ZINC000743357761 576806679 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CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C2CC2)cc1 ZINC000829927845 1292644171 /nfs/dbraw/zinc/64/41/71/1292644171.db2.gz ZOCATDMSAGHRBO-UHFFFAOYSA-N 0 1 333.409 3.469 20 10 EGCDMN COCC[C@H]1COCCN1Cc1ccc(N2CCCCC2)c(C)c1 ZINC000829979541 1292650165 /nfs/dbraw/zinc/65/01/65/1292650165.db2.gz GPFVGVGEBZKNAO-IBGZPJMESA-N 0 1 332.488 3.223 20 10 EGCDMN COc1ccc(-n2ccc(CN[C@@H]3CCc4cccc(O)c43)n2)cc1 ZINC000834566376 1293117444 /nfs/dbraw/zinc/11/74/44/1293117444.db2.gz LTMPYGSSFLVJRW-GOSISDBHSA-N 0 1 335.407 3.364 20 10 EGCDMN CC[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccc(C(F)(F)F)cc1[O-] ZINC000834907887 1293172513 /nfs/dbraw/zinc/17/25/13/1293172513.db2.gz FOUHVUBFKXISKQ-DOMZBBRYSA-N 0 1 330.350 3.120 20 10 EGCDMN Cc1csc(=O)n1CCN(Cc1ccco1)Cc1ccccc1O ZINC000123390197 1293442672 /nfs/dbraw/zinc/44/26/72/1293442672.db2.gz AZLAJOFRBGSWBQ-UHFFFAOYSA-N 0 1 344.436 3.219 20 10 EGCDMN CCN(CC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000152364145 1293965635 /nfs/dbraw/zinc/96/56/35/1293965635.db2.gz 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ZINC000707146253 1298226900 /nfs/dbraw/zinc/22/69/00/1298226900.db2.gz KWCQLADQVLQCBK-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139196 1298238488 /nfs/dbraw/zinc/23/84/88/1298238488.db2.gz FZYULCJLPXIYEV-SECBINFHSA-N 0 1 334.641 3.276 20 10 EGCDMN CCN(CC)[C@H](CNC(=O)NCc1cc(C)ccc1O)c1ccco1 ZINC000875171150 1298250515 /nfs/dbraw/zinc/25/05/15/1298250515.db2.gz PWIFFYTZUKKVAT-MRXNPFEDSA-N 0 1 345.443 3.176 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)CCOc2ccc(F)cc2)c1O ZINC000748050533 1298917344 /nfs/dbraw/zinc/91/73/44/1298917344.db2.gz FXGQDIRSLZEOLP-UHFFFAOYSA-N 0 1 335.350 3.384 20 10 EGCDMN COC(=O)CC[N@H+](Cc1cc(Cl)cc(C(C)=O)c1[O-])CC(C)C ZINC000748049587 1298918007 /nfs/dbraw/zinc/91/80/07/1298918007.db2.gz JQUGVNIJDADGAR-UHFFFAOYSA-N 0 1 341.835 3.269 20 10 EGCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1ccc(F)c(F)c1[O-] ZINC000876753439 1298960694 /nfs/dbraw/zinc/96/06/94/1298960694.db2.gz FMHOBBGFYWZZET-UHFFFAOYSA-N 0 1 330.375 3.017 20 10 EGCDMN Cc1cccc(O)c1CN(C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000877501634 1299352563 /nfs/dbraw/zinc/35/25/63/1299352563.db2.gz SPSBIUJDIRANOV-MRXNPFEDSA-N 0 1 326.440 3.352 20 10 EGCDMN Cc1cc(C(=O)CN2CCc3cn[nH]c3C2)c(C)n1-c1cccc(C)c1 ZINC000750720587 1299443774 /nfs/dbraw/zinc/44/37/74/1299443774.db2.gz QKMHKHLDLYYCEE-UHFFFAOYSA-N 0 1 348.450 3.367 20 10 EGCDMN Cc1cc(C(=O)NCCN2CCC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000752295458 1299720607 /nfs/dbraw/zinc/72/06/07/1299720607.db2.gz JRWCMEBDPMINRN-UHFFFAOYSA-N 0 1 325.456 3.146 20 10 EGCDMN COC(=O)[C@H](C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000761217643 1301423363 /nfs/dbraw/zinc/42/33/63/1301423363.db2.gz WUBJMZGAJSRGQD-SECBINFHSA-N 0 1 332.227 3.473 20 10 EGCDMN CSc1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761974586 1301579649 /nfs/dbraw/zinc/57/96/49/1301579649.db2.gz CBUBOGPKUWJVPI-UHFFFAOYSA-N 0 1 348.808 3.102 20 10 EGCDMN CC(C)=C(C)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761982850 1301582639 /nfs/dbraw/zinc/58/26/39/1301582639.db2.gz UZIWUHKDZMONQI-INIZCTEOSA-N 0 1 336.863 3.483 20 10 EGCDMN CC(C)=C(C)C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761982850 1301582648 /nfs/dbraw/zinc/58/26/48/1301582648.db2.gz UZIWUHKDZMONQI-INIZCTEOSA-N 0 1 336.863 3.483 20 10 EGCDMN CC(C)=C(C)C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000761982850 1301582653 /nfs/dbraw/zinc/58/26/53/1301582653.db2.gz UZIWUHKDZMONQI-INIZCTEOSA-N 0 1 336.863 3.483 20 10 EGCDMN [O-]c1c(F)cc(F)cc1CNc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000883006879 1302202148 /nfs/dbraw/zinc/20/21/48/1302202148.db2.gz GDKVOXKWTFHQBE-UHFFFAOYSA-N 0 1 348.393 3.239 20 10 EGCDMN CCN(CC)C(=O)CN[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000765333961 1302248298 /nfs/dbraw/zinc/24/82/98/1302248298.db2.gz OCWVIIFPPMMCDP-HNNXBMFYSA-N 0 1 335.467 3.335 20 10 EGCDMN Cc1cc(O)c(CN2CCCC[C@@H](S(C)(=O)=O)C2)cc1C(C)C ZINC000766666701 1302497697 /nfs/dbraw/zinc/49/76/97/1302497697.db2.gz FETIPXCAMOWAGR-MRXNPFEDSA-N 0 1 339.501 3.223 20 10 EGCDMN COc1cccc(O)c1CN(Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000768336747 1302882260 /nfs/dbraw/zinc/88/22/60/1302882260.db2.gz LRMCKWUDYIOJPM-UHFFFAOYSA-N 0 1 328.368 3.474 20 10 EGCDMN CCN(Cc1ccccc1Cl)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768439888 1302900840 /nfs/dbraw/zinc/90/08/40/1302900840.db2.gz OPXGHPUAUMGGEQ-QGZVFWFLSA-N 0 1 333.815 3.494 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055204 1303895873 /nfs/dbraw/zinc/89/58/73/1303895873.db2.gz QWYSFPJXBGSRBD-KOLCDFICSA-N 0 1 348.321 3.472 20 10 EGCDMN COc1c([O-])c(C[N@H+]2C[C@@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055204 1303895878 /nfs/dbraw/zinc/89/58/78/1303895878.db2.gz QWYSFPJXBGSRBD-KOLCDFICSA-N 0 1 348.321 3.472 20 10 EGCDMN CCC[C@@]1(C(=O)OCC)CCCN1Cc1cccc(OCC)c1O ZINC000775183072 1303920429 /nfs/dbraw/zinc/92/04/29/1303920429.db2.gz GHGRIGCOSSUNMP-IBGZPJMESA-N 0 1 335.444 3.489 20 10 EGCDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000775199833 1303923941 /nfs/dbraw/zinc/92/39/41/1303923941.db2.gz GOHQUJVYYHAWDG-KRWDZBQOSA-N 0 1 325.836 3.457 20 10 EGCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775667482 1304010129 /nfs/dbraw/zinc/01/01/29/1304010129.db2.gz IWCYOERIEHXCDN-LBPRGKRZSA-N 0 1 342.842 3.313 20 10 EGCDMN CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668077 1304010681 /nfs/dbraw/zinc/01/06/81/1304010681.db2.gz QZCLFTWQOHPCKX-GFCCVEGCSA-N 0 1 342.842 3.169 20 10 EGCDMN C[C@H]1CN(Cc2cc(Cl)cc(F)c2O)C[C@@H](C(F)(F)F)O1 ZINC000775719467 1304020987 /nfs/dbraw/zinc/02/09/87/1304020987.db2.gz DOTCMESBLJMABP-CPCISQLKSA-N 0 1 327.705 3.336 20 10 EGCDMN C[C@H]([NH2+]Cc1cc(=O)oc2cc([O-])ccc12)c1ccc(N(C)C)cc1 ZINC000775834298 1304047081 /nfs/dbraw/zinc/04/70/81/1304047081.db2.gz QLMFBRVRMIJCJD-ZDUSSCGKSA-N 0 1 338.407 3.415 20 10 EGCDMN COc1ccc(O)c(CNCc2nc3cccc(Cl)c3n2C)c1 ZINC000775984549 1304074445 /nfs/dbraw/zinc/07/44/45/1304074445.db2.gz WCWYDDFMISWORW-UHFFFAOYSA-N 0 1 331.803 3.231 20 10 EGCDMN 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O=C1NN(c2ccccc2)C(=O)/C1=C\c1cnc(-c2ccccc2)s1 ZINC000728697540 574767285 /nfs/dbraw/zinc/76/72/85/574767285.db2.gz RLLRDPDIVBUGSI-WJDWOHSUSA-N 0 1 347.399 3.272 20 10 EGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1nc(-c2ccccc2)cs1 ZINC000728696702 574767287 /nfs/dbraw/zinc/76/72/87/574767287.db2.gz APKXEODKYVHGDV-RVDMUPIBSA-N 0 1 347.399 3.272 20 10 EGCDMN O=C1CCCN1Cc1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000733324728 575327781 /nfs/dbraw/zinc/32/77/81/575327781.db2.gz WPTLJYGZVJKDRK-UHFFFAOYSA-N 0 1 344.842 3.458 20 10 EGCDMN COc1ccc(O)c(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000833733210 605248664 /nfs/dbraw/zinc/24/86/64/605248664.db2.gz CPAZDGJHTCDCSX-PBHICJAKSA-N 0 1 333.428 3.256 20 10 EGCDMN COc1cccc(CC[NH2+]Cc2ccc(Br)cc2[O-])c1 ZINC000691429093 1298134235 /nfs/dbraw/zinc/13/42/35/1298134235.db2.gz ONBBVSZBZRXNCZ-UHFFFAOYSA-N 0 1 336.229 3.496 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H]1CSCCS1 ZINC000691448362 1298134255 /nfs/dbraw/zinc/13/42/55/1298134255.db2.gz 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CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123798371 1293455842 /nfs/dbraw/zinc/45/58/42/1293455842.db2.gz QXLLWEFPOMFXFW-LLVKDONJSA-N 0 1 326.824 3.145 20 10 EGCDMN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123798371 1293455844 /nfs/dbraw/zinc/45/58/44/1293455844.db2.gz QXLLWEFPOMFXFW-LLVKDONJSA-N 0 1 326.824 3.145 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)C3=CCCCC3)cc2F)CC1 ZINC000127991600 1293579598 /nfs/dbraw/zinc/57/95/98/1293579598.db2.gz XUQNHKOMMXXGLV-UHFFFAOYSA-N 0 1 345.462 3.084 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1[O-] ZINC000129152085 1293615450 /nfs/dbraw/zinc/61/54/50/1293615450.db2.gz SFNAUALDAJAHET-DYVFJYSZSA-N 0 1 336.863 3.164 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1[O-] ZINC000129152085 1293615456 /nfs/dbraw/zinc/61/54/56/1293615456.db2.gz SFNAUALDAJAHET-DYVFJYSZSA-N 0 1 336.863 3.164 20 10 EGCDMN Oc1ccccc1CN(Cc1cccc2c1OCO2)C[C@@H]1CCCO1 ZINC000160177952 1294261209 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ZINC000901127168 1317385583 /nfs/dbraw/zinc/38/55/83/1317385583.db2.gz JUWHKUCDCSTQAM-JOHMGYAOSA-N 0 1 343.254 3.269 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2c1OCO2 ZINC000807835983 1317589487 /nfs/dbraw/zinc/58/94/87/1317589487.db2.gz OIVPLIIJKNBRKL-UHFFFAOYSA-N 0 1 340.162 3.358 20 10 EGCDMN Cc1nc(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cs1 ZINC000807837912 1317590731 /nfs/dbraw/zinc/59/07/31/1317590731.db2.gz FVRDRIDPYFUEGX-UHFFFAOYSA-N 0 1 331.224 3.323 20 10 EGCDMN CC(C)[C@@H](N[C@@H](C)c1cc2c(cc1O)CCCC2)c1nncn1C ZINC000903067031 1317646625 /nfs/dbraw/zinc/64/66/25/1317646625.db2.gz XYNNEPMYLBNRTM-SCLBCKFNSA-N 0 1 328.460 3.447 20 10 EGCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3C[C@H](C)c4c3c([O-])ccc4F)[C@@H]2C1 ZINC000808722233 1317723226 /nfs/dbraw/zinc/72/32/26/1317723226.db2.gz BKWXQXXMNIYWAH-BQHCWPDZSA-N 0 1 346.446 3.316 20 10 EGCDMN CCOC(=O)c1ccc(CNCc2cc(Cl)cc(OC)c2O)o1 ZINC000809743700 1317887074 /nfs/dbraw/zinc/88/70/74/1317887074.db2.gz ZVCFEXXKJCGZHZ-UHFFFAOYSA-N 0 1 339.775 3.114 20 10 EGCDMN CN1CCN(c2ccc(CN3CCCOc4ccccc43)cc2)CC1 ZINC000811508115 1318187126 /nfs/dbraw/zinc/18/71/26/1318187126.db2.gz ASADBHKNBNCXDR-UHFFFAOYSA-N 0 1 337.467 3.228 20 10 EGCDMN Cc1cc(C[NH2+]Cc2cc(Cl)ccc2[O-])nc(N2CCCC2)n1 ZINC000814178387 1318692252 /nfs/dbraw/zinc/69/22/52/1318692252.db2.gz NUPGZJNPKKSVNX-UHFFFAOYSA-N 0 1 332.835 3.034 20 10 EGCDMN Cc1cc(CN2CCN([C@H](C)c3cccnc3)CC2)ccc1N(C)C ZINC000815053652 1318875225 /nfs/dbraw/zinc/87/52/25/1318875225.db2.gz VOYMTZOFSBDZJU-GOSISDBHSA-N 0 1 338.499 3.335 20 10 EGCDMN C[C@@H]([NH2+]CCN(C)CC(F)F)c1ccc(Br)cc1[O-] ZINC000858596629 1328805612 /nfs/dbraw/zinc/80/56/12/1328805612.db2.gz HTUKFJRSVHVDMB-SECBINFHSA-N 0 1 337.208 3.002 20 10 EGCDMN [O-]c1c(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc2ccccc21 ZINC000816505397 1319169484 /nfs/dbraw/zinc/16/94/84/1319169484.db2.gz VEXXYPDTYUZODN-KRWDZBQOSA-N 0 1 348.450 3.463 20 10 EGCDMN [O-]c1c(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)ccc2ccccc21 ZINC000816505397 1319169487 /nfs/dbraw/zinc/16/94/87/1319169487.db2.gz VEXXYPDTYUZODN-KRWDZBQOSA-N 0 1 348.450 3.463 20 10 EGCDMN Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(Cl)c(F)cc1O ZINC000816520591 1319174779 /nfs/dbraw/zinc/17/47/79/1319174779.db2.gz SMMUGTVYVGGTSD-CQSZACIVSA-N 0 1 339.798 3.098 20 10 EGCDMN [O-]c1c(C[NH2+]Cc2cccnc2-n2cccn2)ccc2ccccc21 ZINC000816534218 1319177105 /nfs/dbraw/zinc/17/71/05/1319177105.db2.gz AXDISYAPRMUTCW-UHFFFAOYSA-N 0 1 330.391 3.416 20 10 EGCDMN O=c1[nH]c2ccccc2n1CC[NH2+]Cc1ccc2ccccc2c1[O-] ZINC000816555459 1319181471 /nfs/dbraw/zinc/18/14/71/1319181471.db2.gz FSHYRMJWFRWMPI-UHFFFAOYSA-N 0 1 333.391 3.391 20 10 EGCDMN CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816551773 1319181772 /nfs/dbraw/zinc/18/17/72/1319181772.db2.gz OGVZHSPWWXZJLL-WBVHZDCISA-N 0 1 326.440 3.282 20 10 EGCDMN C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cc(Br)cc(Cl)c1[O-] ZINC000817941232 1319470405 /nfs/dbraw/zinc/47/04/05/1319470405.db2.gz OBRWMMMTHLEPTA-PSASIEDQSA-N 0 1 333.657 3.211 20 10 EGCDMN CC(C)[C@H](N)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958156 1319476710 /nfs/dbraw/zinc/47/67/10/1319476710.db2.gz IKRVQEJFSUVFNB-PRHODGIISA-N 0 1 335.673 3.442 20 10 EGCDMN CC(C)N(CC(=O)N1CCC[C@@H](C)C1)Cc1ccc(N(C)C)cc1 ZINC000917074921 1319750962 /nfs/dbraw/zinc/75/09/62/1319750962.db2.gz LTLURRIDAQIDQK-QGZVFWFLSA-N 0 1 331.504 3.222 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](c2nc[nH]n2)C1 ZINC000819719382 1319778586 /nfs/dbraw/zinc/77/85/86/1319778586.db2.gz AOMZTYHBXBDISK-MRXNPFEDSA-N 0 1 349.438 3.150 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1[O-] ZINC000821336527 1320007148 /nfs/dbraw/zinc/00/71/48/1320007148.db2.gz CSZQLNCGRQCPMV-QGZVFWFLSA-N 0 1 345.418 3.093 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1[O-] ZINC000821336527 1320007151 /nfs/dbraw/zinc/00/71/51/1320007151.db2.gz CSZQLNCGRQCPMV-QGZVFWFLSA-N 0 1 345.418 3.093 20 10 EGCDMN COc1ccc(-n2cc(CNCc3ccc4c(c3)CCO4)cn2)cc1 ZINC000823752012 1320203640 /nfs/dbraw/zinc/20/36/40/1320203640.db2.gz ALHULTDYMXUNIW-UHFFFAOYSA-N 0 1 335.407 3.106 20 10 EGCDMN Cc1c(Cl)cncc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000824494921 1320261991 /nfs/dbraw/zinc/26/19/91/1320261991.db2.gz XSCSRNHSRPDDTB-UHFFFAOYSA-N 0 1 330.863 3.407 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]CCCNC(=O)c2cccs2)cc1Cl ZINC000825273295 1320322664 /nfs/dbraw/zinc/32/26/64/1320322664.db2.gz GGBHUYZSDOVNKS-UHFFFAOYSA-N 0 1 338.860 3.325 20 10 EGCDMN C[C@@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825283321 1320323524 /nfs/dbraw/zinc/32/35/24/1320323524.db2.gz IYANWPCPNVXJKQ-MRXNPFEDSA-N 0 1 336.229 3.152 20 10 EGCDMN Cc1cc(O)c(CN2C[C@@H](C)OC3(CCOCC3)C2)cc1Cl ZINC000825731685 1320358655 /nfs/dbraw/zinc/35/86/55/1320358655.db2.gz KGMBLNMTNJTABL-CYBMUJFWSA-N 0 1 325.836 3.124 20 10 EGCDMN CCO[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000836666250 1320518244 /nfs/dbraw/zinc/51/82/44/1320518244.db2.gz OLFPGFFZBXGMHT-CHWSQXEVSA-N 0 1 347.242 3.456 20 10 EGCDMN CC[N@@H+](CCC1(O)CCC1)Cc1cc(Br)ccc1O ZINC000839497384 1320928822 /nfs/dbraw/zinc/92/88/22/1320928822.db2.gz BUUOKPZFAJFPFQ-UHFFFAOYSA-N 0 1 328.250 3.282 20 10 EGCDMN CC[N@H+](CCC1(O)CCC1)Cc1cc(Br)ccc1[O-] ZINC000839497384 1320928827 /nfs/dbraw/zinc/92/88/27/1320928827.db2.gz BUUOKPZFAJFPFQ-UHFFFAOYSA-N 0 1 328.250 3.282 20 10 EGCDMN CC[N@@H+](CCC1(O)CCC1)Cc1cc(Br)ccc1[O-] ZINC000839497384 1320928831 /nfs/dbraw/zinc/92/88/31/1320928831.db2.gz BUUOKPZFAJFPFQ-UHFFFAOYSA-N 0 1 328.250 3.282 20 10 EGCDMN C[C@H](C(=O)NCc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C ZINC000840460073 1321095265 /nfs/dbraw/zinc/09/52/65/1321095265.db2.gz LITDDVMNUYDTDN-MRVPVSSYSA-N 0 1 348.226 3.293 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c1[O-] ZINC000843417941 1321515885 /nfs/dbraw/zinc/51/58/85/1321515885.db2.gz XNDROCBRFXKLRF-RISCZKNCSA-N 0 1 340.807 3.345 20 10 EGCDMN CN(C)c1ccc(CN(C)C(=O)[C@H](N)c2cccc(Cl)c2)cc1 ZINC000843488446 1321522263 /nfs/dbraw/zinc/52/22/63/1321522263.db2.gz ZVAAQRHNCQXUKU-QGZVFWFLSA-N 0 1 331.847 3.064 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000848575982 1321979212 /nfs/dbraw/zinc/97/92/12/1321979212.db2.gz YRWDVNITKUBJAW-LSDHHAIUSA-N 0 1 339.277 3.261 20 10 EGCDMN Fc1ccc(CNCc2ccc(N3CCOCC3)cc2)c(F)c1F ZINC000850069488 1322189648 /nfs/dbraw/zinc/18/96/48/1322189648.db2.gz NWUJNHZBPKSOPB-UHFFFAOYSA-N 0 1 336.357 3.230 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000850406146 1322241164 /nfs/dbraw/zinc/24/11/64/1322241164.db2.gz UKPFTZHTKZSNDB-UHFFFAOYSA-N 0 1 346.858 3.297 20 10 EGCDMN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccc(Br)cc1[O-] ZINC000850544951 1322263924 /nfs/dbraw/zinc/26/39/24/1322263924.db2.gz KXTPQSHXBDUXAE-JQWIXIFHSA-N 0 1 328.250 3.214 20 10 EGCDMN O=C(NC[C@H]1COCCN1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000859614602 1329034907 /nfs/dbraw/zinc/03/49/07/1329034907.db2.gz IDUGSXDYUSAPPJ-KRWDZBQOSA-N 0 1 339.399 3.212 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](O)c3ccnn3C)CC2)cc1Cl ZINC000857063498 1325566285 /nfs/dbraw/zinc/56/62/85/1325566285.db2.gz UMWUONWFNUWSMZ-SFHVURJKSA-N 0 1 349.862 3.033 20 10 EGCDMN CC[C@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000927079558 1327849536 /nfs/dbraw/zinc/84/95/36/1327849536.db2.gz GDTOQJBGBUHNBD-OCCSQVGLSA-N 0 1 344.249 3.001 20 10 EGCDMN CC[C@@H]([NH2+]CCO[C@@H]1CCOC1)c1cc(Br)ccc1[O-] ZINC000927079559 1327849723 /nfs/dbraw/zinc/84/97/23/1327849723.db2.gz GDTOQJBGBUHNBD-TZMCWYRMSA-N 0 1 344.249 3.001 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000862228394 1329468217 /nfs/dbraw/zinc/46/82/17/1329468217.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 0 1 336.233 3.257 20 10 EGCDMN Oc1cccc(Br)c1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000862228394 1329468214 /nfs/dbraw/zinc/46/82/14/1329468214.db2.gz BNYOLLSAPYKKSE-LLVKDONJSA-N 0 1 336.233 3.257 20 10 EGCDMN C[N@@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCC[C@@H]1O ZINC000862300122 1329474497 /nfs/dbraw/zinc/47/44/97/1329474497.db2.gz KQHULCWIGMNZHQ-RISCZKNCSA-N 0 1 328.250 3.138 20 10 EGCDMN C[N@H+](Cc1c([O-])cccc1Br)C[C@H]1CCCC[C@@H]1O ZINC000862300122 1329474498 /nfs/dbraw/zinc/47/44/98/1329474498.db2.gz KQHULCWIGMNZHQ-RISCZKNCSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862337729 1329475978 /nfs/dbraw/zinc/47/59/78/1329475978.db2.gz ZJNONUKCTPQOHT-JTNHKYCSSA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1c([O-])cccc1Br ZINC000862337729 1329475979 /nfs/dbraw/zinc/47/59/79/1329475979.db2.gz ZJNONUKCTPQOHT-JTNHKYCSSA-N 0 1 328.250 3.136 20 10 EGCDMN CCC[C@]1(CO)CCC[N@@H+]1Cc1c([O-])cccc1Br ZINC000862348568 1329476284 /nfs/dbraw/zinc/47/62/84/1329476284.db2.gz BONXEIHTCHOGSV-OAHLLOKOSA-N 0 1 328.250 3.282 20 10 EGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1c([O-])cccc1Br ZINC000862348568 1329476287 /nfs/dbraw/zinc/47/62/87/1329476287.db2.gz BONXEIHTCHOGSV-OAHLLOKOSA-N 0 1 328.250 3.282 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000862396022 1329482407 /nfs/dbraw/zinc/48/24/07/1329482407.db2.gz ZJYYJWMZSIJACC-BBRMVZONSA-N 0 1 348.240 3.463 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000862396022 1329482409 /nfs/dbraw/zinc/48/24/09/1329482409.db2.gz ZJYYJWMZSIJACC-BBRMVZONSA-N 0 1 348.240 3.463 20 10 EGCDMN Cc1ccc(O)c(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000862760108 1329507508 /nfs/dbraw/zinc/50/75/08/1329507508.db2.gz MLYXYVKMAJMOLD-LJQANCHMSA-N 0 1 338.451 3.372 20 10 EGCDMN Cc1ccc(O)c(CNC(=O)[C@H]2CCCCN2Cc2ccccc2)c1 ZINC000862760108 1329507511 /nfs/dbraw/zinc/50/75/11/1329507511.db2.gz MLYXYVKMAJMOLD-LJQANCHMSA-N 0 1 338.451 3.372 20 10 EGCDMN Cc1cc(C(=O)Cn2ccnc2CN)c(C)n1-c1ccc(C)c(C)c1 ZINC000864619783 1329630670 /nfs/dbraw/zinc/63/06/70/1329630670.db2.gz RKYHBPJTPKILHQ-UHFFFAOYSA-N 0 1 336.439 3.249 20 10 EGCDMN CCOC(=O)CC(C)(C)CC(=O)C(O)=Cc1ccccc1SC ZINC000935948449 1330098385 /nfs/dbraw/zinc/09/83/85/1330098385.db2.gz MIYVBVVJSDFSML-UHFFFAOYSA-N 0 1 336.453 3.459 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2c([O-])cc(Br)cc2F)CCC[C@@]1(C)O ZINC001233029127 1376557092 /nfs/dbraw/zinc/55/70/92/1376557092.db2.gz ZDUJBAMYKBKEBU-ZUZCIYMTSA-N 0 1 346.240 3.277 20 10 EGCDMN Cc1noc(C(F)F)c1C(=O)Nc1c2nonc2ccc1Cl ZINC001323420361 1387367375 /nfs/dbraw/zinc/36/73/75/1387367375.db2.gz XMHJQMYSMQGNNU-UHFFFAOYSA-N 0 1 328.662 3.363 20 10 EGCDMN COc1ccc2cc(S(=O)(=O)Nc3cccc(O)c3O)ccc2c1 ZINC001191966732 1367651726 /nfs/dbraw/zinc/65/17/26/1367651726.db2.gz YBCFFYAOOCFMAA-UHFFFAOYSA-N 0 1 345.376 3.060 20 10 EGCDMN N=C(NC(=O)c1cc(O)c(O)c(Cl)c1)c1ccc2ccccc2n1 ZINC001193633766 1368080107 /nfs/dbraw/zinc/08/01/07/1368080107.db2.gz GFJJKWPXAGCCSN-UHFFFAOYSA-N 0 1 341.754 3.055 20 10 EGCDMN Cc1ccnc(OC2CC[NH+](Cc3cc(Cl)ccc3[O-])CC2)n1 ZINC001203665882 1370208990 /nfs/dbraw/zinc/20/89/90/1370208990.db2.gz ZKOSDQGTBIAGMF-UHFFFAOYSA-N 0 1 333.819 3.187 20 10 EGCDMN CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2cnn(CC)c21 ZINC001203932220 1370319298 /nfs/dbraw/zinc/31/92/98/1370319298.db2.gz WSEGKSSOHRJVRL-SFHVURJKSA-N 0 1 342.487 3.105 20 10 EGCDMN CN(C)c1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)cc1 ZINC001203934439 1370321699 /nfs/dbraw/zinc/32/16/99/1370321699.db2.gz YWHRUBZZDRFMDK-ZWKOTPCHSA-N 0 1 341.480 3.194 20 10 EGCDMN CCN(CC)c1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)cc1 ZINC001203939314 1370323619 /nfs/dbraw/zinc/32/36/19/1370323619.db2.gz NURCIXSWPPBVFS-UHFFFAOYSA-N 0 1 341.499 3.120 20 10 EGCDMN COc1cc(CN2CCC[C@H](Sc3ccncc3)C2)cc(O)c1O ZINC001204344288 1370448903 /nfs/dbraw/zinc/44/89/03/1370448903.db2.gz FQLUUSPVPWKTBO-HNNXBMFYSA-N 0 1 346.452 3.258 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(CN2CCN(c3cncnc3)CC2)cc1 ZINC001209517398 1372126945 /nfs/dbraw/zinc/12/69/45/1372126945.db2.gz CBBGJAQQGDRQKL-UHFFFAOYSA-N 0 1 347.466 3.206 20 10 EGCDMN c1cc(Nc2ccc3c(c2)OCCN3)ccc1CCN1CCOCC1 ZINC001209767954 1372189540 /nfs/dbraw/zinc/18/95/40/1372189540.db2.gz TZGCCCZICLZZBZ-UHFFFAOYSA-N 0 1 339.439 3.109 20 10 EGCDMN Cc1cccc(CN2CCCC[C@H]2C(=O)NCc2ccc(N)cc2)c1 ZINC001122445129 1372249183 /nfs/dbraw/zinc/24/91/83/1372249183.db2.gz MVJZPNGDQFJMII-FQEVSTJZSA-N 0 1 337.467 3.248 20 10 EGCDMN COC(=O)c1sc(C(=O)OC)c(OC2[C@H](C)CCC[C@H]2C)c1O ZINC001227623716 1375455780 /nfs/dbraw/zinc/45/57/80/1375455780.db2.gz VERYWYRIHYCNNO-RKDXNWHRSA-N 0 1 342.413 3.230 20 10 EGCDMN O=C1CCCC[C@H]1Oc1ccc2c(c1)C(=O)c1ccc(O)cc1C2=O ZINC001229191041 1375784272 /nfs/dbraw/zinc/78/42/72/1375784272.db2.gz SDYNCTLKYDZMDN-GOSISDBHSA-N 0 1 336.343 3.058 20 10 EGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1C[C@H]2CN(Cc3cccnc3)C[C@H]2C1 ZINC001231909981 1376345150 /nfs/dbraw/zinc/34/51/50/1376345150.db2.gz IPWXHARCPGXQKC-CALCHBBNSA-N 0 1 343.858 3.004 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1[C@H]2C[N@@H+](Cc3cccc(Cl)c3[O-])C[C@H]21 ZINC001231910960 1376345414 /nfs/dbraw/zinc/34/54/14/1376345414.db2.gz WYAFFGFBZIKVKO-DABQJJPHSA-N 0 1 338.835 3.001 20 10 EGCDMN CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1cccc(Cl)c1[O-])C2 ZINC001231911352 1376346283 /nfs/dbraw/zinc/34/62/83/1376346283.db2.gz KUMNJJQIUSMAFE-GOSISDBHSA-N 0 1 336.863 3.269 20 10 EGCDMN CC(C)(C)OC(=O)N1CCN(Cc2cccc(Cl)c2O)[C@H]2C[C@H]21 ZINC001231910656 1376347297 /nfs/dbraw/zinc/34/72/97/1376347297.db2.gz PVJOPQZEDKWHMW-UONOGXRCSA-N 0 1 338.835 3.239 20 10 EGCDMN O=C1Nc2ccccc2CN1C1CN(Cc2cccc(Cl)c2O)C1 ZINC001231914160 1376350781 /nfs/dbraw/zinc/35/07/81/1376350781.db2.gz ZIULSZCSWZJALE-UHFFFAOYSA-N 0 1 343.814 3.278 20 10 EGCDMN COc1cc([O-])c(C[N@@H+](C(C)C)C2CCN(C)CC2)cc1Cl ZINC001232270356 1376427942 /nfs/dbraw/zinc/42/79/42/1376427942.db2.gz AJUVHAWZQZUTHO-UHFFFAOYSA-N 0 1 326.868 3.359 20 10 EGCDMN CC(C)O[C@H]1CC[N@@H+](Cc2c([O-])cc(Br)cc2F)C1 ZINC001233029416 1376556386 /nfs/dbraw/zinc/55/63/86/1376556386.db2.gz DNHXIKOKNGAYRC-NSHDSACASA-N 0 1 332.213 3.293 20 10 EGCDMN COc1cc(Cl)cc(C[N@H+]2CCc3cc(CO)ccc3C2)c1O ZINC001233287838 1376604383 /nfs/dbraw/zinc/60/43/83/1376604383.db2.gz JJCMVQFNBLNKCS-UHFFFAOYSA-N 0 1 333.815 3.105 20 10 EGCDMN COc1cc(Cl)cc(CN2CCc3cc(CO)ccc3C2)c1O ZINC001233287838 1376604385 /nfs/dbraw/zinc/60/43/85/1376604385.db2.gz 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C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(Cl)c1O ZINC000775664337 1304009000 /nfs/dbraw/zinc/00/90/00/1304009000.db2.gz LFOCCWCVOXJRAR-GFCCVEGCSA-N 0 1 340.851 3.487 20 10 EGCDMN COc1ccc(N2CCCN(Cc3nc4c(s3)CCC4)CC2)cc1 ZINC000775664528 1304009146 /nfs/dbraw/zinc/00/91/46/1304009146.db2.gz XEJBYOYVRAEVIC-UHFFFAOYSA-N 0 1 343.496 3.353 20 10 EGCDMN CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775668080 1304010189 /nfs/dbraw/zinc/01/01/89/1304010189.db2.gz QZCLFTWQOHPCKX-LBPRGKRZSA-N 0 1 342.842 3.169 20 10 EGCDMN C[C@H](NCc1ccnc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000776172618 1304106458 /nfs/dbraw/zinc/10/64/58/1304106458.db2.gz RLMCOJSFJCWNJF-INIZCTEOSA-N 0 1 339.487 3.384 20 10 EGCDMN CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C1(C)C ZINC000776499743 1304166662 /nfs/dbraw/zinc/16/66/62/1304166662.db2.gz YFTGDKLOQOCNTP-QCZZGDTMSA-N 0 1 328.250 3.304 20 10 EGCDMN O=C(NCc1ccccc1O)c1cn[nH]c1-c1ccc(Cl)s1 ZINC000778999293 1304516368 /nfs/dbraw/zinc/51/63/68/1304516368.db2.gz 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EGCDMN COc1cc(O)c(CN2CCc3cc(F)cc(C)c3C2)cc1OC ZINC000799950155 1310643619 /nfs/dbraw/zinc/64/36/19/1310643619.db2.gz HXLBHPGWYNYHEX-UHFFFAOYSA-N 0 1 331.387 3.415 20 10 EGCDMN O=c1ccccn1C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000800313046 1310731357 /nfs/dbraw/zinc/73/13/57/1310731357.db2.gz AYOUELGFRZULIK-FQEVSTJZSA-N 0 1 346.430 3.314 20 10 EGCDMN C[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccsc1 ZINC000801571154 1310968251 /nfs/dbraw/zinc/96/82/51/1310968251.db2.gz TWOQNKROHIMZSH-CQSZACIVSA-N 0 1 331.485 3.123 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000824926262 1320297051 /nfs/dbraw/zinc/29/70/51/1320297051.db2.gz DFOVXJXJAIVKNZ-DYVFJYSZSA-N 0 1 349.862 3.033 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](O)c3nccn3C)C2)cc1Cl ZINC000824926262 1320297055 /nfs/dbraw/zinc/29/70/55/1320297055.db2.gz DFOVXJXJAIVKNZ-DYVFJYSZSA-N 0 1 349.862 3.033 20 10 EGCDMN CC[C@H]([NH2+][C@@H]1CC(=O)N(CC)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000824893133 1320294503 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CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1[O-] ZINC000805767594 1317420563 /nfs/dbraw/zinc/42/05/63/1317420563.db2.gz LVWHBLUJGGEGBO-YVEFUNNKSA-N 0 1 336.863 3.307 20 10 EGCDMN Cc1ncc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806256361 1317474117 /nfs/dbraw/zinc/47/41/17/1317474117.db2.gz KLLQBGTYZPLRTN-UHFFFAOYSA-N 0 1 327.171 3.119 20 10 EGCDMN CC(C)[N@@H+](CCC(=O)[O-])Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000901977938 1317505060 /nfs/dbraw/zinc/50/50/60/1317505060.db2.gz AVCUELPXDSJKKL-UHFFFAOYSA-N 0 1 332.366 3.457 20 10 EGCDMN Oc1c(Cl)cc(Cl)cc1CNC(=S)NC[C@@H]1CCCCO1 ZINC000806599415 1317510429 /nfs/dbraw/zinc/51/04/29/1317510429.db2.gz RFFMQURRWBYJNT-NSHDSACASA-N 0 1 349.283 3.232 20 10 EGCDMN CCc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cc(=O)[nH]1 ZINC000807836558 1317589231 /nfs/dbraw/zinc/58/92/31/1317589231.db2.gz FJYWGAHRXGAXON-UHFFFAOYSA-N 0 1 341.194 3.292 20 10 EGCDMN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000808095249 1317623061 /nfs/dbraw/zinc/62/30/61/1317623061.db2.gz 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OHUKXSPZHFQEIS-MRXNPFEDSA-N 0 1 332.831 3.224 20 10 EGCDMN CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816499459 1319167700 /nfs/dbraw/zinc/16/77/00/1319167700.db2.gz QQVKLUXYANUBPZ-LBPRGKRZSA-N 0 1 342.842 3.313 20 10 EGCDMN O=C1CCCCN1[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816504763 1319169793 /nfs/dbraw/zinc/16/97/93/1319169793.db2.gz AWDQMFKXBUWKPC-ZDUSSCGKSA-N 0 1 340.826 3.162 20 10 EGCDMN [O-]c1c(C[NH+]2CCC(Oc3cnccn3)CC2)ccc2ccccc21 ZINC000816593515 1319189282 /nfs/dbraw/zinc/18/92/82/1319189282.db2.gz UWSJMIHULTUYCH-UHFFFAOYSA-N 0 1 335.407 3.379 20 10 EGCDMN [O-]c1c(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)ccc2ccccc21 ZINC000816592627 1319189604 /nfs/dbraw/zinc/18/96/04/1319189604.db2.gz PEMMMAAZGISGCT-IBGZPJMESA-N 0 1 337.423 3.214 20 10 EGCDMN [O-]c1c(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)ccc2ccccc21 ZINC000816600784 1319192189 /nfs/dbraw/zinc/19/21/89/1319192189.db2.gz HSNVIJIKWWUSFI-YLJYHZDGSA-N 0 1 341.451 3.203 20 10 EGCDMN C[C@H]([NH2+]C[C@H](N)C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000817965911 1319479973 /nfs/dbraw/zinc/47/99/73/1319479973.db2.gz WXDIFXPLOAYCAP-MADCSZMMSA-N 0 1 333.657 3.196 20 10 EGCDMN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2c2ccccc2)cc1 ZINC000822093694 1320053765 /nfs/dbraw/zinc/05/37/65/1320053765.db2.gz FUGNJQSVDHQYDE-FQEVSTJZSA-N 0 1 337.467 3.206 20 10 EGCDMN COc1ccc(N2CCN(CC[C@@H]3CC3(Cl)Cl)CC2)cc1 ZINC000822570107 1320098624 /nfs/dbraw/zinc/09/86/24/1320098624.db2.gz GRNREUGLBIXSFW-CYBMUJFWSA-N 0 1 329.271 3.401 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC([C@H](O)c3nccn3C)CC2)cc1Cl ZINC000824817987 1320289379 /nfs/dbraw/zinc/28/93/79/1320289379.db2.gz FCTKDWYZSJZBNN-KRWDZBQOSA-N 0 1 349.862 3.033 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133536 1320313812 /nfs/dbraw/zinc/31/38/12/1320313812.db2.gz JMNUZKYNGWDWBA-HNNXBMFYSA-N 0 1 326.234 3.157 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825133536 1320313817 /nfs/dbraw/zinc/31/38/17/1320313817.db2.gz 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3.434 20 10 EGCDMN COc1cc(O[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3[O-])C2)ccn1 ZINC001140468568 1378069097 /nfs/dbraw/zinc/06/90/97/1378069097.db2.gz OWSWKSGONMBECI-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN COc1cc(O[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3[O-])C2)ccn1 ZINC001140468568 1378069098 /nfs/dbraw/zinc/06/90/98/1378069098.db2.gz OWSWKSGONMBECI-OAHLLOKOSA-N 0 1 334.803 3.103 20 10 EGCDMN CC[C@@H]1[N@H+](Cc2ccc(Cl)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001140467878 1378069137 /nfs/dbraw/zinc/06/91/37/1378069137.db2.gz YLWJGDZVGFRUHM-WMZOPIPTSA-N 0 1 336.863 3.411 20 10 EGCDMN CC[C@@H]1[N@@H+](Cc2ccc(Cl)cc2[O-])CCC[C@]12CCC(=O)N2C ZINC001140467878 1378069138 /nfs/dbraw/zinc/06/91/38/1378069138.db2.gz YLWJGDZVGFRUHM-WMZOPIPTSA-N 0 1 336.863 3.411 20 10 EGCDMN [O-]c1cc(F)cc(F)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC001140583530 1378090296 /nfs/dbraw/zinc/09/02/96/1378090296.db2.gz KBRPNTKUXOWREF-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001140583530 1378090297 /nfs/dbraw/zinc/09/02/97/1378090297.db2.gz KBRPNTKUXOWREF-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC001140583530 1378090298 /nfs/dbraw/zinc/09/02/98/1378090298.db2.gz KBRPNTKUXOWREF-HNAYVOBHSA-N 0 1 344.405 3.377 20 10 EGCDMN CCOc1cccc(N2CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)c1 ZINC001140584171 1378090423 /nfs/dbraw/zinc/09/04/23/1378090423.db2.gz GXVTYBPVSMXRDK-UHFFFAOYSA-N 0 1 348.393 3.391 20 10 EGCDMN Oc1cc(F)cc(F)c1CN1Cc2cc(Br)cnc2C1 ZINC001140583642 1378090656 /nfs/dbraw/zinc/09/06/56/1378090656.db2.gz PNVRUCBYANWULZ-UHFFFAOYSA-N 0 1 341.155 3.344 20 10 EGCDMN CC[C@@H](C)N1C[C@]2(CC1=O)CCCC[N@H+]2Cc1c([O-])cccc1F ZINC001273266138 1378092974 /nfs/dbraw/zinc/09/29/74/1378092974.db2.gz QSQLENVHVNRSSQ-AUUYWEPGSA-N 0 1 334.435 3.287 20 10 EGCDMN Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)c1 ZINC001140619736 1378099679 /nfs/dbraw/zinc/09/96/79/1378099679.db2.gz MDQYEOQTNYEWTK-IYBDPMFKSA-N 0 1 332.444 3.284 20 10 EGCDMN Fc1cc(N2CCOCC2)ccc1CN1CCC(OC2CCC2)CC1 ZINC001140660516 1378108356 /nfs/dbraw/zinc/10/83/56/1378108356.db2.gz UQXHCPNKSRNYLD-UHFFFAOYSA-N 0 1 348.462 3.196 20 10 EGCDMN CN(C)c1ccc(CN2CC(N3CCC(F)CC3)C2)c(Cl)c1 ZINC001140924013 1378181917 /nfs/dbraw/zinc/18/19/17/1378181917.db2.gz AOCAMPSZZVAFQJ-UHFFFAOYSA-N 0 1 325.859 3.024 20 10 EGCDMN Cc1ccc(C[N@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c(O)c1 ZINC001140950125 1378189663 /nfs/dbraw/zinc/18/96/63/1378189663.db2.gz NYEBOQADFLDFPL-QWFCFKBJSA-N 0 1 331.456 3.249 20 10 EGCDMN C[C@@H](c1ccc(F)cc1)N1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141162810 1378255968 /nfs/dbraw/zinc/25/59/68/1378255968.db2.gz FVUZAPAFTGJSFM-AWEZNQCLSA-N 0 1 330.403 3.116 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@@]1(C)O ZINC001141367771 1378312026 /nfs/dbraw/zinc/31/20/26/1378312026.db2.gz PNKOTILHLBWJRS-LKFCYVNXSA-N 0 1 348.668 3.401 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2cc(Br)c(F)cc2[O-])CCC[C@@]1(C)O ZINC001144299163 1378712952 /nfs/dbraw/zinc/71/29/52/1378712952.db2.gz QSBIDOKPAYIEMA-ZUZCIYMTSA-N 0 1 346.240 3.277 20 10 EGCDMN C[N@@H+](Cc1cncs1)Cc1cc(Br)c(F)cc1[O-] ZINC001144308275 1378714835 /nfs/dbraw/zinc/71/48/35/1378714835.db2.gz USWCGJXNZJUGFZ-UHFFFAOYSA-N 0 1 331.210 3.382 20 10 EGCDMN Cc1cccc2c(NCc3ccc(N4CCN(C)CC4)cc3)ncnc12 ZINC001156656086 1380605551 /nfs/dbraw/zinc/60/55/51/1380605551.db2.gz OKKPLPUTFLBVBG-UHFFFAOYSA-N 0 1 347.466 3.302 20 10 EGCDMN CN1CCN(c2ccc(CNc3nccc4ncsc43)cc2)CC1 ZINC001156658173 1380606033 /nfs/dbraw/zinc/60/60/33/1380606033.db2.gz UPKZXRCRDHXTRJ-UHFFFAOYSA-N 0 1 339.468 3.055 20 10 EGCDMN CC(C)Cc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ncn1 ZINC001156659491 1380606333 /nfs/dbraw/zinc/60/63/33/1380606333.db2.gz MRJVTLRZUOGJKW-UHFFFAOYSA-N 0 1 339.487 3.039 20 10 EGCDMN CCN(CC)c1ccc(CN(C)[C@@H](C)C(=O)NCc2ccco2)cc1 ZINC001317715353 1385417879 /nfs/dbraw/zinc/41/78/79/1385417879.db2.gz CBLJAUNUERZCKJ-INIZCTEOSA-N 0 1 343.471 3.263 20 10 EGCDMN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)[C@H](C)N1CCCC1 ZINC001180586966 1386842383 /nfs/dbraw/zinc/84/23/83/1386842383.db2.gz WJSVLVONEIMUAZ-KSSFIOAISA-N 0 1 330.472 3.233 20 10 EGCDMN COc1ccc(C[C@H](C)[N@@H+](C)Cc2ccc(OC)c(OC)c2O)cc1 ZINC001342829681 1390659661 /nfs/dbraw/zinc/65/96/61/1390659661.db2.gz KZYPXUMTFFOEDU-AWEZNQCLSA-N 0 1 345.439 3.481 20 10 EGCDMN COc1ccc(C[N@H+]2CCc3cc(F)cc(C)c3C2)c(O)c1OC ZINC001335528947 1390699834 /nfs/dbraw/zinc/69/98/34/1390699834.db2.gz ZUNYTPDNXJMZNL-UHFFFAOYSA-N 0 1 331.387 3.415 20 10 EGCDMN COc1ccc(CN2CCc3cc(F)cc(C)c3C2)c(O)c1OC ZINC001335528947 1390699837 /nfs/dbraw/zinc/69/98/37/1390699837.db2.gz ZUNYTPDNXJMZNL-UHFFFAOYSA-N 0 1 331.387 3.415 20 10 EGCDMN COC(=O)Nc1cccc(CNCc2cc(F)c(N(C)C)cc2F)c1 ZINC001351340191 1391629062 /nfs/dbraw/zinc/62/90/62/1391629062.db2.gz AXEPEIWSVMUGLD-UHFFFAOYSA-N 0 1 349.381 3.499 20 10 EGCDMN CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821164990 1446091995 /nfs/dbraw/zinc/09/19/95/1446091995.db2.gz MQZQHRIZXMXRAO-AWEZNQCLSA-N 0 1 336.443 3.174 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000817881550 955381480 /nfs/dbraw/zinc/38/14/80/955381480.db2.gz KUPPGUJBUGEBAF-JQWIXIFHSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000817881550 955381490 /nfs/dbraw/zinc/38/14/90/955381490.db2.gz KUPPGUJBUGEBAF-JQWIXIFHSA-N 0 1 342.233 3.006 20 10 EGCDMN Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000817881550 955381504 /nfs/dbraw/zinc/38/15/04/955381504.db2.gz KUPPGUJBUGEBAF-JQWIXIFHSA-N 0 1 342.233 3.006 20 10 EGCDMN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000844936120 955683187 /nfs/dbraw/zinc/68/31/87/955683187.db2.gz UFXQATOHMUSXFL-QMTHXVAHSA-N 0 1 330.350 3.209 20 10 EGCDMN CC[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(N(C)C)cc1 ZINC001138930751 960499034 /nfs/dbraw/zinc/49/90/34/960499034.db2.gz QPILNBSHUKLXJT-UHFFFAOYSA-N 0 1 342.439 3.238 20 10 EGCDMN Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000840997212 969222154 /nfs/dbraw/zinc/22/21/54/969222154.db2.gz NNOTWWDMSQQVRG-NSHDSACASA-N 0 1 342.233 3.150 20 10 EGCDMN CCCC[C@H]([NH2+]Cc1cc(C)cc(Br)c1O)C(=O)[O-] ZINC000840996884 979298170 /nfs/dbraw/zinc/29/81/70/979298170.db2.gz REOPNRCTANYLSM-LBPRGKRZSA-N 0 1 330.222 3.196 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC000840998696 979300655 /nfs/dbraw/zinc/30/06/55/979300655.db2.gz OJXDDDAYSITLAP-HNNXBMFYSA-N 0 1 330.350 3.068 20 10 EGCDMN CCC[N@@H+](Cc1nc2cc(C(=O)[O-])ccc2[nH]1)Cc1ccccc1O ZINC001595890777 982922045 /nfs/dbraw/zinc/92/20/45/982922045.db2.gz DGYSBVIEWCZXDL-UHFFFAOYSA-N 0 1 339.395 3.379 20 10 EGCDMN CCOc1ccc(C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c(O)c1 ZINC001597102287 986728040 /nfs/dbraw/zinc/72/80/40/986728040.db2.gz SMPVYWWDPZPKAG-UHFFFAOYSA-N 0 1 327.380 3.047 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000177262896 454843940 /nfs/dbraw/zinc/84/39/40/454843940.db2.gz DONJPXJYEXNNLT-GFCCVEGCSA-N 0 1 349.818 3.319 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1[O-] ZINC000177262896 454843942 /nfs/dbraw/zinc/84/39/42/454843942.db2.gz DONJPXJYEXNNLT-GFCCVEGCSA-N 0 1 349.818 3.319 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000113324095 454922648 /nfs/dbraw/zinc/92/26/48/454922648.db2.gz FUFMPVXLHYJSCE-UHFFFAOYSA-N 0 1 346.858 3.168 20 10 EGCDMN O=C(c1cccc(F)c1)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC000179674113 455066431 /nfs/dbraw/zinc/06/64/31/455066431.db2.gz ORQZUNHQMOKPIY-UHFFFAOYSA-N 0 1 348.805 3.143 20 10 EGCDMN CC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cc(Br)ccc1[O-] ZINC000189289101 455170619 /nfs/dbraw/zinc/17/06/19/455170619.db2.gz SJURUNQPXFXZEC-JKOKRWQUSA-N 0 1 328.250 3.356 20 10 EGCDMN COc1cc(O)c(CN(C)Cc2ncc(C)c(OC)c2C)cc1OC ZINC000183781504 455328121 /nfs/dbraw/zinc/32/81/21/455328121.db2.gz JYTDBLFLEIVZFV-UHFFFAOYSA-N 0 1 346.427 3.062 20 10 EGCDMN C[C@@H](NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnn(C)c1 ZINC000268774842 455713041 /nfs/dbraw/zinc/71/30/41/455713041.db2.gz AXIBICDCFZFLJT-RBSFLKMASA-N 0 1 346.450 3.024 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCc3cn[nH]c32)cc1 ZINC000268801862 455713723 /nfs/dbraw/zinc/71/37/23/455713723.db2.gz AVWOBRYOGZRHNA-KRWDZBQOSA-N 0 1 341.459 3.133 20 10 EGCDMN C[C@@H](NCc1cn2ccsc2n1)c1ccc(N2CCOCC2)cc1 ZINC000268826010 455715722 /nfs/dbraw/zinc/71/57/22/455715722.db2.gz UEEYMGJZRITZCM-CQSZACIVSA-N 0 1 342.468 3.083 20 10 EGCDMN c1csc([C@H](NCc2ccc(N3CCCC3)cc2)c2nnc[nH]2)c1 ZINC000293872761 455799154 /nfs/dbraw/zinc/79/91/54/455799154.db2.gz UYKDTKSPLGLPPO-KRWDZBQOSA-N 0 1 339.468 3.346 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285305957 455821640 /nfs/dbraw/zinc/82/16/40/455821640.db2.gz WDWBSIJVWCTYPP-ZFWWWQNUSA-N 0 1 326.234 3.298 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000285305957 455821643 /nfs/dbraw/zinc/82/16/43/455821643.db2.gz WDWBSIJVWCTYPP-ZFWWWQNUSA-N 0 1 326.234 3.298 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397836 455835396 /nfs/dbraw/zinc/83/53/96/455835396.db2.gz NQOUKVFESVVSGU-NSHDSACASA-N 0 1 348.321 3.472 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CC[C@H](C(F)(F)F)C2(C)C)ccc1[N+](=O)[O-] ZINC000278397836 455835398 /nfs/dbraw/zinc/83/53/98/455835398.db2.gz NQOUKVFESVVSGU-NSHDSACASA-N 0 1 348.321 3.472 20 10 EGCDMN Cc1nccnc1CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000295036331 455836619 /nfs/dbraw/zinc/83/66/19/455836619.db2.gz OZYQWRGECXFFQC-SNVBAGLBSA-N 0 1 336.233 3.146 20 10 EGCDMN COCCn1cc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000269351055 455840909 /nfs/dbraw/zinc/84/09/09/455840909.db2.gz KEAKCDSTOXDVGI-UHFFFAOYSA-N 0 1 342.487 3.152 20 10 EGCDMN CC1(C)C[C@H](O)CC[N@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000295286630 455845492 /nfs/dbraw/zinc/84/54/92/455845492.db2.gz UBSYQXVZVNRSJU-CYBMUJFWSA-N 0 1 328.250 3.138 20 10 EGCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000295286630 455845499 /nfs/dbraw/zinc/84/54/99/455845499.db2.gz UBSYQXVZVNRSJU-CYBMUJFWSA-N 0 1 328.250 3.138 20 10 EGCDMN COC(=O)c1coc([C@H](C)NCc2ccc3c(c2)CCCN3C)c1 ZINC000278839611 455850151 /nfs/dbraw/zinc/85/01/51/455850151.db2.gz USDLQHUYRFMQGI-ZDUSSCGKSA-N 0 1 328.412 3.299 20 10 EGCDMN Oc1cccc2c1[C@@H](NCc1nnc3ccc(C(F)(F)F)cn31)CC2 ZINC000296189386 455875591 /nfs/dbraw/zinc/87/55/91/455875591.db2.gz YMUZLCHOQOQLRN-LBPRGKRZSA-N 0 1 348.328 3.231 20 10 EGCDMN Cc1cccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c1O ZINC000280196551 455914889 /nfs/dbraw/zinc/91/48/89/455914889.db2.gz HRGNQYZXZFPCLW-CQSZACIVSA-N 0 1 341.329 3.422 20 10 EGCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cc(Br)ccc1[O-] ZINC000287292210 456065597 /nfs/dbraw/zinc/06/55/97/456065597.db2.gz DGAGPKBICWCJSJ-GRYCIOLGSA-N 0 1 328.250 3.478 20 10 EGCDMN CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)c1cc(Br)ccc1[O-] ZINC000188473638 456068799 /nfs/dbraw/zinc/06/87/99/456068799.db2.gz ILSPTVHYTOTFBL-MFKMUULPSA-N 0 1 343.265 3.062 20 10 EGCDMN CC[C@@H]([NH2+]CCc1n[nH]c(C)n1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287866400 456080888 /nfs/dbraw/zinc/08/08/88/456080888.db2.gz XRNSRZANPUHXBA-GFCCVEGCSA-N 0 1 329.231 3.409 20 10 EGCDMN CC[C@@H]([NH2+]CCc1nnc(C)[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287866400 456080894 /nfs/dbraw/zinc/08/08/94/456080894.db2.gz XRNSRZANPUHXBA-GFCCVEGCSA-N 0 1 329.231 3.409 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288669067 456102564 /nfs/dbraw/zinc/10/25/64/456102564.db2.gz WFPSWSPCZCZHRA-LBPRGKRZSA-N 0 1 334.213 3.421 20 10 EGCDMN COc1cc(O)c(CN2Cc3ccccc3OC[C@H]2C)cc1OC ZINC000272889179 456102690 /nfs/dbraw/zinc/10/26/90/456102690.db2.gz JGBYUAWPUPJBBJ-CYBMUJFWSA-N 0 1 329.396 3.193 20 10 EGCDMN COc1ccc(O)c(CN(CC(=O)N2CCCCCC2)C(C)C)c1 ZINC000289250086 456118658 /nfs/dbraw/zinc/11/86/58/456118658.db2.gz FDAHZPRSOUGKBO-UHFFFAOYSA-N 0 1 334.460 3.014 20 10 EGCDMN CC[C@H](NCc1nncn1CC)c1cc(Br)ccc1O ZINC000230971645 456142187 /nfs/dbraw/zinc/14/21/87/456142187.db2.gz GGPFLEPDSYWGAS-LBPRGKRZSA-N 0 1 339.237 3.007 20 10 EGCDMN Cc1ccc(O)c(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)c1 ZINC000271276006 456201138 /nfs/dbraw/zinc/20/11/38/456201138.db2.gz KWHXOTBEJSOJGT-UYAOXDASSA-N 0 1 327.424 3.025 20 10 EGCDMN COC(=O)N1CCC([NH2+][C@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000273408843 456228140 /nfs/dbraw/zinc/22/81/40/456228140.db2.gz PAICACNYKLHITG-CYBMUJFWSA-N 0 1 328.412 3.427 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000273489442 456235476 /nfs/dbraw/zinc/23/54/76/456235476.db2.gz OAUOLOSIMRZBPI-SUMWQHHRSA-N 0 1 344.842 3.497 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000274953225 456267988 /nfs/dbraw/zinc/26/79/88/456267988.db2.gz VLIPQWSZAINXDT-CQSZACIVSA-N 0 1 331.847 3.422 20 10 EGCDMN FC(F)Oc1ccc(N2CCC[C@@H](N[C@H]3CCn4ccnc43)C2)cc1 ZINC000297946569 456330857 /nfs/dbraw/zinc/33/08/57/456330857.db2.gz YMPZGHZHUBNAPN-CJNGLKHVSA-N 0 1 348.397 3.188 20 10 EGCDMN CC[C@H](N[C@@H](C)c1ncnn1C)c1cc(Br)ccc1O ZINC000276718481 456560281 /nfs/dbraw/zinc/56/02/81/456560281.db2.gz XJVLDRFZVCBKHO-CABZTGNLSA-N 0 1 339.237 3.085 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNCc1cnnn1Cc1ccccc1 ZINC000491359778 459620060 /nfs/dbraw/zinc/62/00/60/459620060.db2.gz MMYATNHQESHNLY-UHFFFAOYSA-N 0 1 345.450 3.416 20 10 EGCDMN CC[C@@H]([NH2+]Cc1cnnn1CC)c1ccc(C(F)(F)F)cc1[O-] ZINC000527912596 459770828 /nfs/dbraw/zinc/77/08/28/459770828.db2.gz FRFRVENKZUEWSN-CYBMUJFWSA-N 0 1 328.338 3.263 20 10 EGCDMN CCc1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000032271878 523748999 /nfs/dbraw/zinc/74/89/99/523748999.db2.gz UPIOTVZLZNDRIO-UHFFFAOYSA-N 0 1 326.444 3.235 20 10 EGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC2CCCC2)c1 ZINC000728697231 574767232 /nfs/dbraw/zinc/76/72/32/574767232.db2.gz LFQPXPZMZQZZME-RGEXLXHISA-N 0 1 348.402 3.469 20 10 EGCDMN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCN1C ZINC000731865478 575213293 /nfs/dbraw/zinc/21/32/93/575213293.db2.gz KVFDKTFOCLOWAT-LJQANCHMSA-N 0 1 329.488 3.120 20 10 EGCDMN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C1=CC(=O)CS1 ZINC000731872331 575214154 /nfs/dbraw/zinc/21/41/54/575214154.db2.gz FNTNINCNQDBXOB-GFCCVEGCSA-N 0 1 336.482 3.157 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000733330309 575328723 /nfs/dbraw/zinc/32/87/23/575328723.db2.gz SPDCTENMAHQADV-UHFFFAOYSA-N 0 1 348.830 3.288 20 10 EGCDMN CC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)C[C@@H]1CCOC1 ZINC000737102361 576114998 /nfs/dbraw/zinc/11/49/98/576114998.db2.gz XNCLQVFTHYOWJP-ZDUSSCGKSA-N 0 1 329.396 3.102 20 10 EGCDMN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756629956 576159983 /nfs/dbraw/zinc/15/99/83/576159983.db2.gz SRSCIBXBWMWFGP-NWDGAFQWSA-N 0 1 327.266 3.147 20 10 EGCDMN Cc1nc(C)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)s1 ZINC000738846937 576364932 /nfs/dbraw/zinc/36/49/32/576364932.db2.gz GQCBJZXAVRIEHR-UHFFFAOYSA-N 0 1 340.832 3.206 20 10 EGCDMN Cc1nc(C)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)s1 ZINC000738846937 576364933 /nfs/dbraw/zinc/36/49/33/576364933.db2.gz GQCBJZXAVRIEHR-UHFFFAOYSA-N 0 1 340.832 3.206 20 10 EGCDMN Cc1cc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n[nH]1 ZINC000739021227 576374628 /nfs/dbraw/zinc/37/46/28/576374628.db2.gz SHYUBWPBECYBLL-UHFFFAOYSA-N 0 1 341.459 3.050 20 10 EGCDMN COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000739920209 576520047 /nfs/dbraw/zinc/52/00/47/576520047.db2.gz KLSALRSYEPMWMO-QGZVFWFLSA-N 0 1 326.440 3.245 20 10 EGCDMN Cc1cc(C(=O)NCc2cnc[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000742180157 576756202 /nfs/dbraw/zinc/75/62/02/576756202.db2.gz QOZPSQMJSCRQIH-UHFFFAOYSA-N 0 1 328.803 3.401 20 10 EGCDMN Cc1cc(O)c(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C ZINC000833746935 604637164 /nfs/dbraw/zinc/63/71/64/604637164.db2.gz LZSPUDAPPHKAKC-UHFFFAOYSA-N 0 1 349.814 3.455 20 10 EGCDMN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000833506028 604768245 /nfs/dbraw/zinc/76/82/45/604768245.db2.gz QORKLBSFLLLWRJ-GOSISDBHSA-N 0 1 343.423 3.369 20 10 EGCDMN COc1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833735563 604950978 /nfs/dbraw/zinc/95/09/78/604950978.db2.gz NYNJOOVUUKPNNR-UHFFFAOYSA-N 0 1 335.787 3.141 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000691408755 1298133755 /nfs/dbraw/zinc/13/37/55/1298133755.db2.gz ALEHVCOCNDPWFY-CQSZACIVSA-N 0 1 334.213 3.248 20 10 EGCDMN C[C@H](CN1CCCCC1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC000701096464 1298184469 /nfs/dbraw/zinc/18/44/69/1298184469.db2.gz XQVYOKGYTDARSV-GFCCVEGCSA-N 0 1 327.266 3.119 20 10 EGCDMN Cc1ccc(/C=C2\SC(=S)N(C3CCN(C)CC3)C2=O)s1 ZINC000063824241 1292025499 /nfs/dbraw/zinc/02/54/99/1292025499.db2.gz QAERYSGPMRPWQN-LCYFTJDESA-N 0 1 338.523 3.352 20 10 EGCDMN COc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1 ZINC000079270667 1292551269 /nfs/dbraw/zinc/55/12/69/1292551269.db2.gz AGRGQHJKATWGTO-UHFFFAOYSA-N 0 1 336.394 3.213 20 10 EGCDMN NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000092660340 1292883892 /nfs/dbraw/zinc/88/38/92/1292883892.db2.gz GLFUOJLHAJIHBB-SNVBAGLBSA-N 0 1 331.243 3.177 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)c1[O-] ZINC000831656136 1292903743 /nfs/dbraw/zinc/90/37/43/1292903743.db2.gz WQZBXBMZGYZPCH-DLBZAZTESA-N 0 1 325.424 3.113 20 10 EGCDMN CCN(Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccn1 ZINC000093338787 1292916652 /nfs/dbraw/zinc/91/66/52/1292916652.db2.gz ABDFQMHSVIZUPL-UHFFFAOYSA-N 0 1 329.419 3.079 20 10 EGCDMN COc1cc(Br)cc(CN2CCS[C@H](C)[C@H]2C)c1O ZINC000093499803 1292922775 /nfs/dbraw/zinc/92/27/75/1292922775.db2.gz LTGJHGJDRNBEIE-NXEZZACHSA-N 0 1 346.290 3.489 20 10 EGCDMN C[C@H](N[C@@H]1C[C@H](C)n2ccnc21)c1ccc(N2CCOCC2)cc1 ZINC000834534350 1293112575 /nfs/dbraw/zinc/11/25/75/1293112575.db2.gz MIIDKOWHGJAJKX-RLFYNMQTSA-N 0 1 326.444 3.076 20 10 EGCDMN Cn1c(CC[NH2+]Cc2cc(Cl)ccc2[O-])nc2c1cccc2F ZINC000113358762 1293148008 /nfs/dbraw/zinc/14/80/08/1293148008.db2.gz JOUAUVADEJVIGD-UHFFFAOYSA-N 0 1 333.794 3.404 20 10 EGCDMN C[C@H](NCc1nc(-c2ccccn2)n[nH]1)c1cc2c(cc1O)CCCC2 ZINC000834903892 1293171135 /nfs/dbraw/zinc/17/11/35/1293171135.db2.gz KTSPDQOEDNPWJH-ZDUSSCGKSA-N 0 1 349.438 3.302 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000129994531 1293640498 /nfs/dbraw/zinc/64/04/98/1293640498.db2.gz CDYMAMNGEVHUSB-NSHDSACASA-N 0 1 326.234 3.156 20 10 EGCDMN COc1cc(CN2CCOC3(CCOCC3)C2)c(O)c(C(C)(C)C)c1 ZINC000164529248 1294348917 /nfs/dbraw/zinc/34/89/17/1294348917.db2.gz ODMJZUVQWYNZBQ-UHFFFAOYSA-N 0 1 349.471 3.080 20 10 EGCDMN COc1ccc(O)c([C@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000182436501 1295047154 /nfs/dbraw/zinc/04/71/54/1295047154.db2.gz GELVUFMBZPDIEP-KBPBESRZSA-N 0 1 338.411 3.393 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2ccccc2OC(F)F)ccc1O ZINC000182476331 1295051632 /nfs/dbraw/zinc/05/16/32/1295051632.db2.gz GGKVNDXHXJEBDK-UHFFFAOYSA-N 0 1 329.324 3.103 20 10 EGCDMN COc1cccc(CNC(C)(C)c2nc3ccccc3n2C)c1O ZINC000185637358 1295276313 /nfs/dbraw/zinc/27/63/13/1295276313.db2.gz BUCGKWLDQSTBPK-UHFFFAOYSA-N 0 1 325.412 3.312 20 10 EGCDMN C[C@@H]([NH2+]CC1CCS(=O)(=O)CC1)c1ccc2ccccc2c1[O-] ZINC000186185329 1295310374 /nfs/dbraw/zinc/31/03/74/1295310374.db2.gz DAFHASBMLRXFRD-CYBMUJFWSA-N 0 1 333.453 3.021 20 10 EGCDMN O=C1O[C@@H](CN(Cc2ccco2)Cc2ccccc2O)CC12CCC2 ZINC000192102116 1295731398 /nfs/dbraw/zinc/73/13/98/1295731398.db2.gz HOSBFFOHPJSEHF-QGZVFWFLSA-N 0 1 341.407 3.473 20 10 EGCDMN CCOc1ccc(O)c(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000246314727 1296347764 /nfs/dbraw/zinc/34/77/64/1296347764.db2.gz RNCURGPYWOIPCM-IBGZPJMESA-N 0 1 326.440 3.280 20 10 EGCDMN CC(C)c1nsc(NCc2ccc(N3CCN(C)CC3)cc2)n1 ZINC000871865912 1296578122 /nfs/dbraw/zinc/57/81/22/1296578122.db2.gz YLKXTLVKBASUKN-UHFFFAOYSA-N 0 1 331.489 3.025 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CO)C1CCCCC1 ZINC000706808510 1298223344 /nfs/dbraw/zinc/22/33/44/1298223344.db2.gz SPPDHQKTVOZPFM-CQSZACIVSA-N 0 1 328.250 3.186 20 10 EGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)N1CCCCC1 ZINC000706875107 1298226840 /nfs/dbraw/zinc/22/68/40/1298226840.db2.gz NSIDSIYRFLIYAG-GFCCVEGCSA-N 0 1 327.266 3.119 20 10 EGCDMN COC[C@H]1CCCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146254 1298227385 /nfs/dbraw/zinc/22/73/85/1298227385.db2.gz KWCQLADQVLQCBK-LBPRGKRZSA-N 0 1 328.250 3.403 20 10 EGCDMN COC[C@H]1CCCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000707146254 1298227393 /nfs/dbraw/zinc/22/73/93/1298227393.db2.gz KWCQLADQVLQCBK-LBPRGKRZSA-N 0 1 328.250 3.403 20 10 EGCDMN C[C@@H]1COCCC[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074768 1298233680 /nfs/dbraw/zinc/23/36/80/1298233680.db2.gz FKHVMRCVRZDCQC-SECBINFHSA-N 0 1 334.641 3.419 20 10 EGCDMN C[C@@H]1COCCC[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000708074768 1298233693 /nfs/dbraw/zinc/23/36/93/1298233693.db2.gz FKHVMRCVRZDCQC-SECBINFHSA-N 0 1 334.641 3.419 20 10 EGCDMN CC[C@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])CCCO1 ZINC000715738757 1298286629 /nfs/dbraw/zinc/28/66/29/1298286629.db2.gz QAVUYIKMPNALOL-LBPRGKRZSA-N 0 1 332.213 3.295 20 10 EGCDMN C[C@H](C[NH2+]Cc1c([O-])cccc1Br)CC1(C)OCCO1 ZINC000715908530 1298290339 /nfs/dbraw/zinc/29/03/39/1298290339.db2.gz JTBAZYOATVOTGR-NSHDSACASA-N 0 1 344.249 3.034 20 10 EGCDMN Oc1ccc(Br)cc1CNCc1nc2c(s1)CCC2 ZINC000719557833 1298320891 /nfs/dbraw/zinc/32/08/91/1298320891.db2.gz WJMNOSWNJZVHQA-UHFFFAOYSA-N 0 1 339.258 3.390 20 10 EGCDMN CCc1noc(CC)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000877109724 1299159321 /nfs/dbraw/zinc/15/93/21/1299159321.db2.gz REHDLCOWLZLJLN-UHFFFAOYSA-N 0 1 343.471 3.050 20 10 EGCDMN CCOc1ccc(O)c(CN2CCc3ccc(NC(C)=O)cc3C2)c1 ZINC000877816311 1299577863 /nfs/dbraw/zinc/57/78/63/1299577863.db2.gz BMGGIDZHQHFNTB-UHFFFAOYSA-N 0 1 340.423 3.308 20 10 EGCDMN COC(=O)[C@@]1(F)CCN(Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000751934845 1299657379 /nfs/dbraw/zinc/65/73/79/1299657379.db2.gz AQBWYMBLZNOYJF-LJQANCHMSA-N 0 1 343.354 3.379 20 10 EGCDMN CC1(C)C[C@@H]1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000752626643 1299770005 /nfs/dbraw/zinc/77/00/05/1299770005.db2.gz QUMRSOJELMLLEA-LSDHHAIUSA-N 0 1 336.863 3.172 20 10 EGCDMN COc1ccccc1[C@H](CO)N[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756713042 1300551372 /nfs/dbraw/zinc/55/13/72/1300551372.db2.gz SOAUMTHWPBICGN-UGFHNGPFSA-N 0 1 331.387 3.411 20 10 EGCDMN C[C@H]([NH2+][C@@H](CO)CC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000756774325 1300563723 /nfs/dbraw/zinc/56/37/23/1300563723.db2.gz BTDUCXKWTUMMCB-IONNQARKSA-N 0 1 342.155 3.119 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000761509917 1301487425 /nfs/dbraw/zinc/48/74/25/1301487425.db2.gz CAYCQAALSDDFNX-CYBMUJFWSA-N 0 1 328.250 3.198 20 10 EGCDMN CCN1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000882942657 1302175651 /nfs/dbraw/zinc/17/56/51/1302175651.db2.gz KVXZWSMILWWREA-NSHDSACASA-N 0 1 345.256 3.115 20 10 EGCDMN O=C1CN(Cc2cccc(Cl)c2O)CCN1c1cccc(F)c1 ZINC000765683569 1302306424 /nfs/dbraw/zinc/30/64/24/1302306424.db2.gz QNLBASGIPLGBGM-UHFFFAOYSA-N 0 1 334.778 3.034 20 10 EGCDMN CCN1C[C@@H](C)N(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000765939869 1302355544 /nfs/dbraw/zinc/35/55/44/1302355544.db2.gz KPCYFDRHDOGITI-JKSUJKDBSA-N 0 1 340.471 3.044 20 10 EGCDMN 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Cn1cc(C[C@@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000093870272 454743568 /nfs/dbraw/zinc/74/35/68/454743568.db2.gz BCUZSNMLANDOJY-NSHDSACASA-N 0 1 340.254 3.497 20 10 EGCDMN CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000155581963 455018810 /nfs/dbraw/zinc/01/88/10/455018810.db2.gz HUOYTJGYAXZNBS-NSHDSACASA-N 0 1 331.243 3.047 20 10 EGCDMN O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179559913 455057906 /nfs/dbraw/zinc/05/79/06/455057906.db2.gz AJTVOYHMXHAIIL-AWEZNQCLSA-N 0 1 345.830 3.291 20 10 EGCDMN C[C@@H]([NH2+]CCCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000185312829 455537708 /nfs/dbraw/zinc/53/77/08/455537708.db2.gz DCASBHYZYXVPJQ-LLVKDONJSA-N 0 1 338.249 3.172 20 10 EGCDMN CC(=O)N1CCC(C[NH2+][C@@H](C)c2ccc3ccccc3c2[O-])CC1 ZINC000185377213 455550383 /nfs/dbraw/zinc/55/03/83/455550383.db2.gz VIGDEJUEMYSWPA-AWEZNQCLSA-N 0 1 326.440 3.455 20 10 EGCDMN C[C@@H]([NH2+]CC[S@@](=O)C(C)(C)C)c1cc(Br)ccc1[O-] ZINC000185474495 455562780 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ZINC000271054005 456113840 /nfs/dbraw/zinc/11/38/40/456113840.db2.gz YGKQDPVFGNVKQE-ZDUSSCGKSA-N 0 1 342.830 3.468 20 10 EGCDMN [O-]c1cccc(Cl)c1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000271054005 456113842 /nfs/dbraw/zinc/11/38/42/456113842.db2.gz YGKQDPVFGNVKQE-ZDUSSCGKSA-N 0 1 342.830 3.468 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CCC[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970680 456201438 /nfs/dbraw/zinc/20/14/38/456201438.db2.gz ZBHSUZSAHKQBFA-AWEZNQCLSA-N 0 1 329.356 3.041 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CCC[C@H]2c2ccncc2)ccc1[N+](=O)[O-] ZINC000289970680 456201443 /nfs/dbraw/zinc/20/14/43/456201443.db2.gz ZBHSUZSAHKQBFA-AWEZNQCLSA-N 0 1 329.356 3.041 20 10 EGCDMN CCOc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)c1O ZINC000271281627 456204039 /nfs/dbraw/zinc/20/40/39/456204039.db2.gz PLLXPLAVLZKWKE-JKSUJKDBSA-N 0 1 331.412 3.472 20 10 EGCDMN CCN(C)c1ccc([C@@H](C)NCc2ccc(OC)nc2OC)cc1 ZINC000290111776 456243817 /nfs/dbraw/zinc/24/38/17/456243817.db2.gz IRCFTICHVUHPQX-CQSZACIVSA-N 0 1 329.444 3.406 20 10 EGCDMN COCCOCCOCCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000274680721 456263561 /nfs/dbraw/zinc/26/35/61/456263561.db2.gz RFDVVPWNDLYGQD-MRXNPFEDSA-N 0 1 347.455 3.266 20 10 EGCDMN CC1(C)CCc2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)ccc2O1 ZINC000731564482 575080785 /nfs/dbraw/zinc/08/07/85/575080785.db2.gz GJQOUCJNSFLNAU-LGMDPLHJSA-N 0 1 348.402 3.252 20 10 EGCDMN CN(C)C(=O)C[C@H](NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000733325687 575327964 /nfs/dbraw/zinc/32/79/64/575327964.db2.gz TVQYESRYLCOMMI-SFHVURJKSA-N 0 1 343.446 3.201 20 10 EGCDMN CCS(=O)(=O)C[C@@H](C)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000733329193 575328323 /nfs/dbraw/zinc/32/83/23/575328323.db2.gz OZKFYBDRGFIXOR-OAHLLOKOSA-N 0 1 348.512 3.315 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)[C@H](C)C(C)(C)C)cc2F)CC1 ZINC000734389874 575484347 /nfs/dbraw/zinc/48/43/47/575484347.db2.gz AEGJEWXAISTBLT-HNNXBMFYSA-N 0 1 349.494 3.266 20 10 EGCDMN C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756470476 576138691 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CCCCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000090447646 1292793755 /nfs/dbraw/zinc/79/37/55/1292793755.db2.gz MLMFINZRYUHFSV-JXAWBTAJSA-N 0 1 336.391 3.327 20 10 EGCDMN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000092704267 1292886821 /nfs/dbraw/zinc/88/68/21/1292886821.db2.gz WADQZESAIXFNNN-CYBMUJFWSA-N 0 1 326.824 3.145 20 10 EGCDMN Fc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CC2 ZINC000093383756 1292917440 /nfs/dbraw/zinc/91/74/40/1292917440.db2.gz ACCNCZNVEKHSKU-UHFFFAOYSA-N 0 1 326.415 3.221 20 10 EGCDMN C[C@H]([NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1)c1cc(Cl)ccc1[O-] ZINC000834900089 1293169698 /nfs/dbraw/zinc/16/96/98/1293169698.db2.gz SVRRQFMZFJNJAJ-PLQHRBFRSA-N 0 1 335.835 3.350 20 10 EGCDMN Cc1ccsc1/C=C1\SC(=S)N(C2CCN(C)CC2)C1=O ZINC000126478759 1293535393 /nfs/dbraw/zinc/53/53/93/1293535393.db2.gz OIYYLONPLZJGQA-LCYFTJDESA-N 0 1 338.523 3.352 20 10 EGCDMN CCN(CC)c1ccc(CN2CCN(Cc3ccccn3)CC2)cc1 ZINC000135933117 1293805260 /nfs/dbraw/zinc/80/52/60/1293805260.db2.gz 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/nfs/dbraw/zinc/79/52/08/1294795208.db2.gz FEOYPWYGCILGKD-UHFFFAOYSA-N 0 1 340.423 3.226 20 10 EGCDMN CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)c1cc(Br)ccc1[O-] ZINC000248578413 1296420523 /nfs/dbraw/zinc/42/05/23/1296420523.db2.gz UUQRWGLBKSCBHL-LQJRIPTKSA-N 0 1 348.306 3.308 20 10 EGCDMN Cc1cc(O)ccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000316238439 1297141058 /nfs/dbraw/zinc/14/10/58/1297141058.db2.gz QWDDIUJEKPXJSZ-UHFFFAOYSA-N 0 1 342.760 3.063 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](N)c1ccc(C)cc1 ZINC000326214268 1297235283 /nfs/dbraw/zinc/23/52/83/1297235283.db2.gz FQBJLZZQRAFJNT-IBGZPJMESA-N 0 1 325.456 3.110 20 10 EGCDMN CCN(CC)c1ccc(CNCc2ccc(C(=O)OC)n2C)cc1F ZINC000873047883 1297244686 /nfs/dbraw/zinc/24/46/86/1297244686.db2.gz HLHMHXTXBGSAAH-UHFFFAOYSA-N 0 1 347.434 3.087 20 10 EGCDMN CO[C@@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000692964019 1298147441 /nfs/dbraw/zinc/14/74/41/1298147441.db2.gz DNGRIUDSLBGJDK-HNNXBMFYSA-N 0 1 328.250 3.450 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H]1COc2ccccc2C1 ZINC000706847048 1298222183 /nfs/dbraw/zinc/22/21/83/1298222183.db2.gz VAVKGSCWZFOWSI-GFCCVEGCSA-N 0 1 334.213 3.248 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000713535146 1298270786 /nfs/dbraw/zinc/27/07/86/1298270786.db2.gz XEMOLFQOGMMYBQ-VCTAVGKDSA-N 0 1 338.245 3.202 20 10 EGCDMN Cc1ccc(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(O)c1 ZINC000876811905 1299005912 /nfs/dbraw/zinc/00/59/12/1299005912.db2.gz IEPKDWJEGALFDE-UYAOXDASSA-N 0 1 327.424 3.025 20 10 EGCDMN OC1CCN(c2ccc(CN3CCc4cc(F)ccc4C3)cc2)CC1 ZINC000877170180 1299191943 /nfs/dbraw/zinc/19/19/43/1299191943.db2.gz KTWDBXLNBQYJMK-UHFFFAOYSA-N 0 1 340.442 3.345 20 10 EGCDMN Cc1noc(C)c1C(C)(C)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877523619 1299366445 /nfs/dbraw/zinc/36/64/45/1299366445.db2.gz LLNBVEJTOHOJHW-UHFFFAOYSA-N 0 1 343.471 3.277 20 10 EGCDMN C[C@H]1Oc2ccccc2[C@@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877535623 1299377498 /nfs/dbraw/zinc/37/74/98/1299377498.db2.gz CBZPQTLJOGGVPB-QVKFZJNVSA-N 0 1 338.451 3.260 20 10 EGCDMN CC[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CC)O1 ZINC000877594096 1299418979 /nfs/dbraw/zinc/41/89/79/1299418979.db2.gz BJKIJDJWCPHQLX-PMACEKPBSA-N 0 1 332.488 3.037 20 10 EGCDMN COCC[N@H+](CCc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750818955 1299458445 /nfs/dbraw/zinc/45/84/45/1299458445.db2.gz HTUDLBPAHNYZJD-UHFFFAOYSA-N 0 1 345.414 3.425 20 10 EGCDMN COCC[N@@H+](CCc1ccccc1)Cc1cc(F)cc(C(C)=O)c1[O-] ZINC000750818955 1299458448 /nfs/dbraw/zinc/45/84/48/1299458448.db2.gz HTUDLBPAHNYZJD-UHFFFAOYSA-N 0 1 345.414 3.425 20 10 EGCDMN [O-]c1c(C[NH2+]C[C@H](n2cncn2)C(F)(F)F)ccc2ccccc12 ZINC000877675565 1299471584 /nfs/dbraw/zinc/47/15/84/1299471584.db2.gz QWZYMIAZLDIAMO-AWEZNQCLSA-N 0 1 336.317 3.030 20 10 EGCDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@H](O)C(F)(F)F ZINC000877694003 1299486526 /nfs/dbraw/zinc/48/65/26/1299486526.db2.gz WTEAWWVLKMOLBV-PELKAZGASA-N 0 1 344.299 3.173 20 10 EGCDMN C[C@H]1C[C@@H](NCc2nncn2-c2ccccc2)c2c1c(F)ccc2O ZINC000756400699 1300484132 /nfs/dbraw/zinc/48/41/32/1300484132.db2.gz DMCXATQOSKZCJW-SWLSCSKDSA-N 0 1 338.386 3.450 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccc(Br)cc1[O-] ZINC000756544675 1300518128 /nfs/dbraw/zinc/51/81/28/1300518128.db2.gz LFIXQKBUGIWZSX-CMPLNLGQSA-N 0 1 325.250 3.042 20 10 EGCDMN C[C@@H]([NH2+]CCOC[C@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000756582372 1300527092 /nfs/dbraw/zinc/52/70/92/1300527092.db2.gz HXXPHIWERRPGPO-DGCLKSJQSA-N 0 1 344.249 3.001 20 10 EGCDMN C[C@@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000756582374 1300527018 /nfs/dbraw/zinc/52/70/18/1300527018.db2.gz HXXPHIWERRPGPO-YPMHNXCESA-N 0 1 344.249 3.001 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(Br)cc1[O-] ZINC000756645446 1300540512 /nfs/dbraw/zinc/54/05/12/1300540512.db2.gz GPGGOJUKBGRENO-ZIBATOQPSA-N 0 1 339.277 3.288 20 10 EGCDMN CCC/C=C\C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761981934 1301581804 /nfs/dbraw/zinc/58/18/04/1301581804.db2.gz JTFRHNRVYFTRLP-HQQUCIOCSA-N 0 1 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CCOc1ccc(CNc2nc3cc(OC)c(OC)cc3[nH]2)c(O)c1 ZINC000775193652 1303922452 /nfs/dbraw/zinc/92/24/52/1303922452.db2.gz RYKDJZMIHBMEFJ-UHFFFAOYSA-N 0 1 343.383 3.297 20 10 EGCDMN COc1cccc(CNCc2nc3cccc(Cl)c3n2C)c1O ZINC000775318056 1303938066 /nfs/dbraw/zinc/93/80/66/1303938066.db2.gz DSGPMGUPZSENJF-UHFFFAOYSA-N 0 1 331.803 3.231 20 10 EGCDMN CC[C@@H]([NH2+]CCN1CCOCC1(C)C)c1cc(Cl)ccc1[O-] ZINC000775498023 1303974335 /nfs/dbraw/zinc/97/43/35/1303974335.db2.gz FWLVLDXOAIYYQF-OAHLLOKOSA-N 0 1 326.868 3.197 20 10 EGCDMN CCO[C@H](C)c1noc(CN(C)Cc2cccc(Cl)c2O)n1 ZINC000775725196 1304021724 /nfs/dbraw/zinc/02/17/24/1304021724.db2.gz LYJKRKQZKPKXSJ-SNVBAGLBSA-N 0 1 325.796 3.158 20 10 EGCDMN CCc1nc(NC(=O)CN[C@@H](C)c2ccc(N(C)C)cc2)sc1C ZINC000775835450 1304047494 /nfs/dbraw/zinc/04/74/94/1304047494.db2.gz YZIUXVXGMFIKKM-LBPRGKRZSA-N 0 1 346.500 3.369 20 10 EGCDMN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000776806663 1304201860 /nfs/dbraw/zinc/20/18/60/1304201860.db2.gz 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EGCDMN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H](O)C1CC1 ZINC000894775783 1309064747 /nfs/dbraw/zinc/06/47/47/1309064747.db2.gz CSFBJFBAQUOPQY-LBPRGKRZSA-N 0 1 334.641 3.011 20 10 EGCDMN COC(=O)[C@@H](Cc1ccccc1)NCc1c(O)ccc(Cl)c1F ZINC000792178670 1309137545 /nfs/dbraw/zinc/13/75/45/1309137545.db2.gz FDFZXQPYPYQXLJ-CQSZACIVSA-N 0 1 337.778 3.059 20 10 EGCDMN Cn1ncc2c1CN(Cc1cc(Cl)cc(Br)c1O)C2 ZINC000895281420 1309269319 /nfs/dbraw/zinc/26/93/19/1309269319.db2.gz DBRZDDLPOOXFGH-UHFFFAOYSA-N 0 1 342.624 3.057 20 10 EGCDMN Fc1cc(CN[C@@H]2CCCc3cccnc32)ccc1N1CCOCC1 ZINC000798926853 1310459237 /nfs/dbraw/zinc/45/92/37/1310459237.db2.gz NBLXNHXEXMGXCD-GOSISDBHSA-N 0 1 341.430 3.225 20 10 EGCDMN Cc1cc(Cl)nc(CNCc2ccc(N3CCOCC3)cc2)c1 ZINC000800284519 1310721096 /nfs/dbraw/zinc/72/10/96/1310721096.db2.gz IPPQARZKNITABA-UHFFFAOYSA-N 0 1 331.847 3.170 20 10 EGCDMN Cc1noc(C)c1CN(C)Cc1ccc(Br)cc1O ZINC000824592022 1320268727 /nfs/dbraw/zinc/26/87/27/1320268727.db2.gz CGOYAHVWNGKWSX-UHFFFAOYSA-N 0 1 325.206 3.392 20 10 EGCDMN Cc1noc(C)c1C[N@@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824592022 1320268732 /nfs/dbraw/zinc/26/87/32/1320268732.db2.gz CGOYAHVWNGKWSX-UHFFFAOYSA-N 0 1 325.206 3.392 20 10 EGCDMN Cc1noc(C)c1C[N@H+](C)Cc1ccc(Br)cc1[O-] ZINC000824592022 1320268736 /nfs/dbraw/zinc/26/87/36/1320268736.db2.gz CGOYAHVWNGKWSX-UHFFFAOYSA-N 0 1 325.206 3.392 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)cc1Cl ZINC000825097127 1320308972 /nfs/dbraw/zinc/30/89/72/1320308972.db2.gz PIPBZYRHGQFSRB-UHFFFAOYSA-N 0 1 348.830 3.341 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+][C@H](CCO)c1cccs1 ZINC000858142813 1328694321 /nfs/dbraw/zinc/69/43/21/1328694321.db2.gz NKINYXDCPQIAPG-GFCCVEGCSA-N 0 1 342.258 3.430 20 10 EGCDMN Cc1cccnc1CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805401465 1317356526 /nfs/dbraw/zinc/35/65/26/1317356526.db2.gz UWWFFKOTYBCRIV-UHFFFAOYSA-N 0 1 340.210 3.402 20 10 EGCDMN COCC1CCC([NH2+]Cc2c([O-])cccc2Br)CC1 ZINC000858177333 1328704680 /nfs/dbraw/zinc/70/46/80/1328704680.db2.gz AZOCFBAGADUZNK-UHFFFAOYSA-N 0 1 328.250 3.450 20 10 EGCDMN CC[N@@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)C(C)(C)C ZINC000808733425 1317725605 /nfs/dbraw/zinc/72/56/05/1317725605.db2.gz VGYJTBLBOATUSP-AWEZNQCLSA-N 0 1 330.266 3.384 20 10 EGCDMN CC[N@H+](Cc1cc(Br)ccc1[O-])C[C@H](O)C(C)(C)C ZINC000808733425 1317725611 /nfs/dbraw/zinc/72/56/11/1317725611.db2.gz VGYJTBLBOATUSP-AWEZNQCLSA-N 0 1 330.266 3.384 20 10 EGCDMN C[C@@H](O)c1ncc(CNCc2ccc(N3CCSCC3)cc2)s1 ZINC000809607000 1317841922 /nfs/dbraw/zinc/84/19/22/1317841922.db2.gz MBCQBRCCPVWNIR-CYBMUJFWSA-N 0 1 349.525 3.039 20 10 EGCDMN CCN(CC)c1ccc(CN[C@H]2Cc3ccccc3NC2=O)cc1F ZINC000858280848 1328727423 /nfs/dbraw/zinc/72/74/23/1328727423.db2.gz FZMATBJYHNYVQC-SFHVURJKSA-N 0 1 341.430 3.325 20 10 EGCDMN Oc1ccc(-c2ccccc2)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 ZINC000809698097 1317867964 /nfs/dbraw/zinc/86/79/64/1317867964.db2.gz VTOIQSNUKFCZGI-FPOVZHCZSA-N 0 1 339.435 3.439 20 10 EGCDMN Cc1ccc2c(c1)CN(Cc1ccc(N3CCOCC3)cc1)CCO2 ZINC000809703895 1317869223 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CCCNC(=O)C1CC[NH+](Cc2ccc3ccccc3c2[O-])CC1 ZINC000816484319 1319163165 /nfs/dbraw/zinc/16/31/65/1319163165.db2.gz XWVPIWJYWMEKOI-UHFFFAOYSA-N 0 1 326.440 3.284 20 10 EGCDMN NC(=O)CC[N@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816483532 1319163505 /nfs/dbraw/zinc/16/35/05/1319163505.db2.gz VVOSFPCXIHRSDP-UHFFFAOYSA-N 0 1 334.419 3.423 20 10 EGCDMN NC(=O)CC[N@@H+](Cc1ccccc1)Cc1ccc2ccccc2c1[O-] ZINC000816483532 1319163510 /nfs/dbraw/zinc/16/35/10/1319163510.db2.gz VVOSFPCXIHRSDP-UHFFFAOYSA-N 0 1 334.419 3.423 20 10 EGCDMN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499373 1319167854 /nfs/dbraw/zinc/16/78/54/1319167854.db2.gz NYPXNWSFSPPVPV-QGZVFWFLSA-N 0 1 326.440 3.284 20 10 EGCDMN CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1 ZINC000816499373 1319167856 /nfs/dbraw/zinc/16/78/56/1319167856.db2.gz NYPXNWSFSPPVPV-QGZVFWFLSA-N 0 1 326.440 3.284 20 10 EGCDMN CN(C)C(=O)OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816608465 1319191234 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CCc1nc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n[nH]1 ZINC000824445497 1320258788 /nfs/dbraw/zinc/25/87/88/1320258788.db2.gz BMSOYAXVRWFFLY-UHFFFAOYSA-N 0 1 347.466 3.220 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1Cl ZINC000824542513 1320263702 /nfs/dbraw/zinc/26/37/02/1320263702.db2.gz VGCACPFNGPPJSM-UHFFFAOYSA-N 0 1 336.863 3.188 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC(C(=O)NCC(C)C)CC2)cc1Cl ZINC000824548238 1320263863 /nfs/dbraw/zinc/26/38/63/1320263863.db2.gz KOVNFYZSTCLDRZ-UHFFFAOYSA-N 0 1 338.879 3.338 20 10 EGCDMN Cc1cc(Br)cc(CN[C@@H]2C[C@@H](C)n3ccnc32)c1O ZINC000825016545 1320303917 /nfs/dbraw/zinc/30/39/17/1320303917.db2.gz DQTZIOQAMZHFMX-ZWNOBZJWSA-N 0 1 336.233 3.455 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)cc2)cc1Cl ZINC000825130996 1320313765 /nfs/dbraw/zinc/31/37/65/1320313765.db2.gz HWBYIQNWVXEKKO-AWEZNQCLSA-N 0 1 337.822 3.434 20 10 EGCDMN CC[C@@H]([NH2+]Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC000825332255 1320328075 /nfs/dbraw/zinc/32/80/75/1320328075.db2.gz 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1386834465 /nfs/dbraw/zinc/83/44/65/1386834465.db2.gz CACCOWYJPUJKHK-MRXNPFEDSA-N 0 1 332.394 3.377 20 10 EGCDMN CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001180557335 1386834471 /nfs/dbraw/zinc/83/44/71/1386834471.db2.gz CACCOWYJPUJKHK-MRXNPFEDSA-N 0 1 332.394 3.377 20 10 EGCDMN CN(Cc1ccc(F)c(F)c1[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001180557335 1386834474 /nfs/dbraw/zinc/83/44/74/1386834474.db2.gz CACCOWYJPUJKHK-MRXNPFEDSA-N 0 1 332.394 3.377 20 10 EGCDMN Nc1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC001336284907 1389058909 /nfs/dbraw/zinc/05/89/09/1389058909.db2.gz DOJVMCKJFAYKDL-UHFFFAOYSA-N 0 1 343.858 3.270 20 10 EGCDMN CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Br)cc(F)c1[O-] ZINC001331528332 1389783965 /nfs/dbraw/zinc/78/39/65/1389783965.db2.gz GTIRIRBFHAFRRD-UHFFFAOYSA-N 0 1 342.212 3.049 20 10 EGCDMN C[N@@H+](Cc1ccc(N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001335285864 1390666652 /nfs/dbraw/zinc/66/66/52/1390666652.db2.gz STGLFFQBJZCFFY-QGZVFWFLSA-N 0 1 329.831 3.160 20 10 EGCDMN CN(Cc1ccc(N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC001335285864 1390666654 /nfs/dbraw/zinc/66/66/54/1390666654.db2.gz STGLFFQBJZCFFY-QGZVFWFLSA-N 0 1 329.831 3.160 20 10 EGCDMN CCN(CC)c1ccc(CN(C)Cc2c(C)cnn2COC)cc1 ZINC001355215359 1392197698 /nfs/dbraw/zinc/19/76/98/1392197698.db2.gz HYSRECIDKVLSNR-UHFFFAOYSA-N 0 1 330.476 3.274 20 10 EGCDMN O=C([O-])CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000691422858 954684064 /nfs/dbraw/zinc/68/40/64/954684064.db2.gz KCDVHEWQMPNPSE-ZDUSSCGKSA-N 0 1 342.233 3.374 20 10 EGCDMN CCOc1cccc(C[N@H+]2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1O ZINC001597155116 986946996 /nfs/dbraw/zinc/94/69/96/986946996.db2.gz ISDIUINYRVQBLN-IRXDYDNUSA-N 0 1 341.407 3.091 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)[C@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001599584537 993595561 /nfs/dbraw/zinc/59/55/61/993595561.db2.gz XNZFBOXFCRUKEQ-SFHVURJKSA-N 0 1 346.402 3.028 20 10 EGCDMN Cc1cc(C)cc(C[C@H]([NH2+]Cc2cc(F)cc(F)c2O)C(=O)[O-])c1 ZINC000903998896 1126131403 /nfs/dbraw/zinc/13/14/03/1126131403.db2.gz AKEXOSCINQXJNB-INIZCTEOSA-N 0 1 335.350 3.073 20 10 EGCDMN COc1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])ccn1 ZINC000181010178 455275921 /nfs/dbraw/zinc/27/59/21/455275921.db2.gz OVGLKCCOKBMEHV-SNVBAGLBSA-N 0 1 337.217 3.409 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245798104 455381137 /nfs/dbraw/zinc/38/11/37/455381137.db2.gz XJZGNDBWEZLPJL-NHYWBVRUSA-N 0 1 326.234 3.156 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245798104 455381139 /nfs/dbraw/zinc/38/11/39/455381139.db2.gz XJZGNDBWEZLPJL-NHYWBVRUSA-N 0 1 326.234 3.156 20 10 EGCDMN CC(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n[nH]1 ZINC000069696755 454133609 /nfs/dbraw/zinc/13/36/09/454133609.db2.gz HYCZIFFAEGWKQZ-OAHLLOKOSA-N 0 1 343.427 3.060 20 10 EGCDMN C[N@@H+](Cc1c([O-])cccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000119583954 454205847 /nfs/dbraw/zinc/20/58/47/454205847.db2.gz AFLPQECVISXSNE-HNNXBMFYSA-N 0 1 335.831 3.055 20 10 EGCDMN C[N@H+](Cc1c([O-])cccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000119583954 454205851 /nfs/dbraw/zinc/20/58/51/454205851.db2.gz AFLPQECVISXSNE-HNNXBMFYSA-N 0 1 335.831 3.055 20 10 EGCDMN C[C@H](N[C@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885631 454349207 /nfs/dbraw/zinc/34/92/07/454349207.db2.gz GDQVXLCXGAXUKN-OXJNMPFZSA-N 0 1 342.487 3.185 20 10 EGCDMN CCN(CC)c1ccc(CN2CCC(N(C)C(C)=O)CC2)cc1F ZINC000092538379 454583238 /nfs/dbraw/zinc/58/32/38/454583238.db2.gz CVTYJIKJACKWSA-UHFFFAOYSA-N 0 1 335.467 3.115 20 10 EGCDMN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1O ZINC000109769638 454835410 /nfs/dbraw/zinc/83/54/10/454835410.db2.gz NWVJVQJHWIHZLD-HUUCEWRRSA-N 0 1 342.439 3.099 20 10 EGCDMN C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1O)c1ccccc1Cl ZINC000109769342 454836165 /nfs/dbraw/zinc/83/61/65/454836165.db2.gz CHNDSGHTKHGIOJ-ZDUSSCGKSA-N 0 1 332.831 3.355 20 10 EGCDMN Cc1nc(CN2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)cs1 ZINC000179651425 455064282 /nfs/dbraw/zinc/06/42/82/455064282.db2.gz SDFRXBQKVCTXME-UHFFFAOYSA-N 0 1 337.876 3.128 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000264974148 455298102 /nfs/dbraw/zinc/29/81/02/455298102.db2.gz RSHKKZNCCPNFBF-UHFFFAOYSA-N 0 1 348.830 3.288 20 10 EGCDMN C[C@@H]([NH2+]CCCO[C@@H]1CCOC1)c1ccc(Br)cc1[O-] ZINC000185705399 455600420 /nfs/dbraw/zinc/60/04/20/455600420.db2.gz RKSJWKWKAZEEIM-DGCLKSJQSA-N 0 1 344.249 3.001 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000268311390 455647439 /nfs/dbraw/zinc/64/74/39/455647439.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N 0 1 347.386 3.415 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)c1[O-] ZINC000268311390 455647442 /nfs/dbraw/zinc/64/74/42/455647442.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N 0 1 347.386 3.415 20 10 EGCDMN CC(=O)c1cc(F)cc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000268311390 455647444 /nfs/dbraw/zinc/64/74/44/455647444.db2.gz XQRSWBBWYFVSOQ-WBVHZDCISA-N 0 1 347.386 3.415 20 10 EGCDMN Oc1cc(F)cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000186158029 455706610 /nfs/dbraw/zinc/70/66/10/455706610.db2.gz DYUXADNWLQXTNP-GOSISDBHSA-N 0 1 331.387 3.418 20 10 EGCDMN C[C@H](NCc1cccnc1OCC(F)F)c1cc(F)ccc1O ZINC000186199527 455715889 /nfs/dbraw/zinc/71/58/89/455715889.db2.gz YBCRLOKYMUJBQJ-JTQLQIEISA-N 0 1 326.318 3.421 20 10 EGCDMN C[C@@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc2ccccc2c1[O-] ZINC000192910381 455716026 /nfs/dbraw/zinc/71/60/26/455716026.db2.gz PIOYSTOTTNMYME-OAHLLOKOSA-N 0 1 328.456 3.307 20 10 EGCDMN C[C@H](NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1ccnn1C ZINC000278168255 455775905 /nfs/dbraw/zinc/77/59/05/455775905.db2.gz CDRKQGHIGDAOOL-ZNMIVQPWSA-N 0 1 346.450 3.024 20 10 EGCDMN COc1c([O-])c(C[N@@H+](C)[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000278216905 455788817 /nfs/dbraw/zinc/78/88/17/455788817.db2.gz LBHAMHQMWCFGQR-HNNXBMFYSA-N 0 1 328.368 3.428 20 10 EGCDMN CC(=O)N1CC[N@@H+](Cc2cccc(Cl)c2[O-])CC12CCCCC2 ZINC000271869885 455793722 /nfs/dbraw/zinc/79/37/22/455793722.db2.gz RWJBITDEMGRMCM-UHFFFAOYSA-N 0 1 336.863 3.413 20 10 EGCDMN CC(=O)NCCN(Cc1ccsc1)Cc1ccc(N(C)C)c(C)c1 ZINC000294187896 455807992 /nfs/dbraw/zinc/80/79/92/455807992.db2.gz QUAGRNPSBAOZHP-UHFFFAOYSA-N 0 1 345.512 3.261 20 10 EGCDMN COc1c([O-])c(C[N@@H+](C)C[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000278496216 455837218 /nfs/dbraw/zinc/83/72/18/455837218.db2.gz MQGHQHSGYDQEJT-SNVBAGLBSA-N 0 1 337.401 3.001 20 10 EGCDMN COc1c([O-])c(C[NH2+]C2(c3nccs3)CCCC2)ccc1[N+](=O)[O-] ZINC000278537545 455839314 /nfs/dbraw/zinc/83/93/14/455839314.db2.gz WNXYADCXLCAIRS-UHFFFAOYSA-N 0 1 349.412 3.325 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(Cl)ccc1[O-] ZINC000278564778 455840084 /nfs/dbraw/zinc/84/00/84/455840084.db2.gz WXCSFDUTUSYEIM-OCCSQVGLSA-N 0 1 334.851 3.099 20 10 EGCDMN Cc1cc(C(=O)N[C@H](C)c2n[nH]c(C)n2)c(C)n1-c1cccc(C)c1 ZINC000286258300 456010407 /nfs/dbraw/zinc/01/04/07/456010407.db2.gz FKTJWSUYFGBHJP-CYBMUJFWSA-N 0 1 337.427 3.320 20 10 EGCDMN Cc1nc([C@H](C)NC(=O)c2sccc2-n2c(C)ccc2C)n[nH]1 ZINC000286425483 456045312 /nfs/dbraw/zinc/04/53/12/456045312.db2.gz QDYHPUSBAKCCEN-NSHDSACASA-N 0 1 329.429 3.073 20 10 EGCDMN CCOc1cccc(CN(C)Cc2c(C)nc3sccn32)c1O ZINC000271151536 456142340 /nfs/dbraw/zinc/14/23/40/456142340.db2.gz LDNUMPPZIMQICK-UHFFFAOYSA-N 0 1 331.441 3.441 20 10 EGCDMN COc1cc(Cl)cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)c1O ZINC000290881856 456456087 /nfs/dbraw/zinc/45/60/87/456456087.db2.gz KVZUBRLTOTUGKW-CYBMUJFWSA-N 0 1 342.226 3.351 20 10 EGCDMN C[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncc[nH]1 ZINC000367597129 457966624 /nfs/dbraw/zinc/96/66/24/457966624.db2.gz QXPCAVNEEHKICE-QWHCGFSZSA-N 0 1 336.386 3.331 20 10 EGCDMN CCN(CC)c1ccc(CNCc2cnc3n2CCCC3)cc1F ZINC000376767708 458386993 /nfs/dbraw/zinc/38/69/93/458386993.db2.gz JULRLWZDUXLZAM-UHFFFAOYSA-N 0 1 330.451 3.495 20 10 EGCDMN CC[C@@H]([NH2+]CC12CC(C1)CO2)c1cc(Br)ccc1[O-] ZINC000527976872 459786917 /nfs/dbraw/zinc/78/69/17/459786917.db2.gz DHOWMWSFIRGWOO-VROQLPPWSA-N 0 1 326.234 3.374 20 10 EGCDMN Oc1ccc(Cl)cc1CN1CCC[C@H](NCc2nccs2)C1 ZINC000733334547 575328592 /nfs/dbraw/zinc/32/85/92/575328592.db2.gz LVHINMFYANXTTJ-AWEZNQCLSA-N 0 1 337.876 3.256 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000734850951 575560882 /nfs/dbraw/zinc/56/08/82/575560882.db2.gz SOQGTHDKOXIJGC-AWEZNQCLSA-N 0 1 340.192 3.117 20 10 EGCDMN Cc1ccc(F)c(N2CCC[C@@H](N(C)Cc3ccccc3O)C2=O)c1 ZINC000735670813 575697445 /nfs/dbraw/zinc/69/74/45/575697445.db2.gz UHDCUMICBISUKE-QGZVFWFLSA-N 0 1 342.414 3.467 20 10 EGCDMN CC[N@H+]1CC[C@H](N(C)c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC000737111779 576118984 /nfs/dbraw/zinc/11/89/84/576118984.db2.gz FECKLCRVWWICFE-BZDCKHMYSA-N 0 1 347.415 3.002 20 10 EGCDMN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1cc(Br)ccc1[O-] ZINC000756629575 576160024 /nfs/dbraw/zinc/16/00/24/576160024.db2.gz PZAAJPAEHRWURE-RYUDHWBXSA-N 0 1 327.266 3.147 20 10 EGCDMN CCN(CC)c1ccc(CN(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000741676722 576710433 /nfs/dbraw/zinc/71/04/33/576710433.db2.gz OXLPAIOVYRUSJY-ROUUACIJSA-N 0 1 345.531 3.469 20 10 EGCDMN O=C([O-])[C@@H]([NH2+]Cc1cccc(Br)c1O)c1ccccc1 ZINC000050510405 598219622 /nfs/dbraw/zinc/21/96/22/598219622.db2.gz UUMUUSWLVACWTB-ZDUSSCGKSA-N 0 1 336.185 3.070 20 10 EGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820427599 599393943 /nfs/dbraw/zinc/39/39/43/599393943.db2.gz UDGCGFXQMSPHNQ-SNVBAGLBSA-N 0 1 329.791 3.077 20 10 EGCDMN CN(CC[C@H]1CCCC[N@H+]1C)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830756196 600821561 /nfs/dbraw/zinc/82/15/61/600821561.db2.gz VKQUCLQGVODRQN-SOIVGHGOSA-N 0 1 347.415 3.003 20 10 EGCDMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccco2)Cc2ccccc2O)O1 ZINC000833579168 605359942 /nfs/dbraw/zinc/35/99/42/605359942.db2.gz AYNJUHGIOAETSL-INIZCTEOSA-N 0 1 343.379 3.135 20 10 EGCDMN C[C@](CO)([NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000691430871 1298133773 /nfs/dbraw/zinc/13/37/73/1298133773.db2.gz UGCGHVAFVATFKZ-MRXNPFEDSA-N 0 1 336.229 3.152 20 10 EGCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@H+](Cc4ccc(Br)cc4[O-])[C@H]1[C@H]3C2 ZINC000691677321 1298136322 /nfs/dbraw/zinc/13/63/22/1298136322.db2.gz NASZYYPSMDRZJF-GSJWJAIFSA-N 0 1 338.245 3.010 20 10 EGCDMN CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(Br)cc4[O-])[C@H]1[C@H]3C2 ZINC000691677321 1298136327 /nfs/dbraw/zinc/13/63/27/1298136327.db2.gz NASZYYPSMDRZJF-GSJWJAIFSA-N 0 1 338.245 3.010 20 10 EGCDMN C[C@@H]1SCC[C@@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000827649809 1292351051 /nfs/dbraw/zinc/35/10/51/1292351051.db2.gz LBUJYYMZUQZAOO-CPCISQLKSA-N 0 1 335.256 3.392 20 10 EGCDMN Cc1cc(CN2CCO[C@]3(CCO[C@H]3C)C2)ccc1N1CCCCC1 ZINC000829336887 1292563120 /nfs/dbraw/zinc/56/31/20/1292563120.db2.gz ULQFXJGGQBVVTL-GHTZIAJQSA-N 0 1 344.499 3.365 20 10 EGCDMN c1ccc(N2CCN(Cc3ccc(N4CCCCC4)cc3)CC2)nc1 ZINC000112142979 1293118414 /nfs/dbraw/zinc/11/84/14/1293118414.db2.gz RCPMWTFCOGKSHS-UHFFFAOYSA-N 0 1 336.483 3.394 20 10 EGCDMN COc1cccc([C@@H](C[NH2+]Cc2c([O-])cccc2Cl)N(C)C)c1 ZINC000113311368 1293146821 /nfs/dbraw/zinc/14/68/21/1293146821.db2.gz HBMPRLMWNROEEX-QGZVFWFLSA-N 0 1 334.847 3.447 20 10 EGCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000834913718 1293175435 /nfs/dbraw/zinc/17/54/35/1293175435.db2.gz ZTVFJZVNSHXHQV-PWSUYJOCSA-N 0 1 333.819 3.427 20 10 EGCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3c([O-])cccc3Cl)C2)nc1 ZINC000128909743 1293607399 /nfs/dbraw/zinc/60/73/99/1293607399.db2.gz GVKJUJZSRLDPED-NSHDSACASA-N 0 1 348.790 3.035 20 10 EGCDMN O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3c([O-])cccc3Cl)C2)nc1 ZINC000128909743 1293607406 /nfs/dbraw/zinc/60/74/06/1293607406.db2.gz GVKJUJZSRLDPED-NSHDSACASA-N 0 1 348.790 3.035 20 10 EGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C2OCCO2)C1 ZINC000179370940 1294789666 /nfs/dbraw/zinc/78/96/66/1294789666.db2.gz VVVGCUGXFBLOKM-JTQLQIEISA-N 0 1 332.227 3.284 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000179738893 1294820679 /nfs/dbraw/zinc/82/06/79/1294820679.db2.gz HIPQOAVRRZSUNV-LBPRGKRZSA-N 0 1 340.851 3.392 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000179738893 1294820691 /nfs/dbraw/zinc/82/06/91/1294820691.db2.gz HIPQOAVRRZSUNV-LBPRGKRZSA-N 0 1 340.851 3.392 20 10 EGCDMN COc1ccc(O)c([C@H](C)[NH2+]Cc2cc(=O)oc3cc([O-])ccc23)c1 ZINC000182397001 1295042735 /nfs/dbraw/zinc/04/27/35/1295042735.db2.gz JEDFDCLVRLMORB-NSHDSACASA-N 0 1 341.363 3.064 20 10 EGCDMN CCOC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000187689853 1295408854 /nfs/dbraw/zinc/40/88/54/1295408854.db2.gz SVYJFYQKYYHBRG-OLZOCXBDSA-N 0 1 338.423 3.439 20 10 EGCDMN CCOc1cccc(CNCc2ccc(Br)o2)c1O ZINC000189507584 1295526161 /nfs/dbraw/zinc/52/61/61/1295526161.db2.gz CWRFMDMQJVEDJT-UHFFFAOYSA-N 0 1 326.190 3.436 20 10 EGCDMN CN1CCC(N2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1 ZINC000255263551 1296511759 /nfs/dbraw/zinc/51/17/59/1296511759.db2.gz ILPWYCOOPRJQSO-GXDHUFHOSA-N 0 1 336.457 3.121 20 10 EGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000305803560 1297053637 /nfs/dbraw/zinc/05/36/37/1297053637.db2.gz YKJDEMZOAMLDJN-WMZOPIPTSA-N 0 1 347.842 3.370 20 10 EGCDMN [O-]c1c(Cl)cccc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000305803560 1297053649 /nfs/dbraw/zinc/05/36/49/1297053649.db2.gz YKJDEMZOAMLDJN-WMZOPIPTSA-N 0 1 347.842 3.370 20 10 EGCDMN CCCOc1ccc(CN[C@@H]2CCN(CC(F)(F)F)C2=O)cc1C ZINC000873052021 1297248434 /nfs/dbraw/zinc/24/84/34/1297248434.db2.gz RQEOHOQFCOCDCW-CQSZACIVSA-N 0 1 344.377 3.037 20 10 EGCDMN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CN(C(=O)OC(C)(C)C)C1 ZINC000686278603 1298116232 /nfs/dbraw/zinc/11/62/32/1298116232.db2.gz FRWLIEVKUASDGD-LLVKDONJSA-N 0 1 340.851 3.391 20 10 EGCDMN COc1ccc(O)c([C@@H](C)NCc2ccncc2Br)c1 ZINC000686562684 1298117359 /nfs/dbraw/zinc/11/73/59/1298117359.db2.gz UUGKRTULEHJFSS-SNVBAGLBSA-N 0 1 337.217 3.409 20 10 EGCDMN CCN1CCC([N@@H+](C)Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715760663 1298286355 /nfs/dbraw/zinc/28/63/55/1298286355.db2.gz PHJNEZAHJAZPGH-UHFFFAOYSA-N 0 1 345.256 3.210 20 10 EGCDMN COc1ccc(CNCC(=O)Nc2cccc3cccnc32)cc1C ZINC000725851886 1298376735 /nfs/dbraw/zinc/37/67/35/1298376735.db2.gz ZQGZHCNGFDMGAL-UHFFFAOYSA-N 0 1 335.407 3.280 20 10 EGCDMN Cc1cc(CN)oc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000876504191 1298796879 /nfs/dbraw/zinc/79/68/79/1298796879.db2.gz WBSYRLPUKBIQRF-UHFFFAOYSA-N 0 1 341.455 3.309 20 10 EGCDMN CN(Cc1ccc(N2CCC(O)CC2)cc1)Cc1ccccc1F ZINC000876536705 1298812955 /nfs/dbraw/zinc/81/29/55/1298812955.db2.gz RRDYOAQJJWVZES-UHFFFAOYSA-N 0 1 328.431 3.419 20 10 EGCDMN Cc1cccc(O)c1CN1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000876812532 1299008774 /nfs/dbraw/zinc/00/87/74/1299008774.db2.gz MKJGRDKCZAWVLW-PXNSSMCTSA-N 0 1 327.424 3.025 20 10 EGCDMN Cc1ccc2c(c1)[C@H](NCc1ccc(N3CCC(O)CC3)cc1)CO2 ZINC000877099098 1299156372 /nfs/dbraw/zinc/15/63/72/1299156372.db2.gz HTEVHPBWHCTCEG-HXUWFJFHSA-N 0 1 338.451 3.179 20 10 EGCDMN CC1([C@H]2CCC[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)OCCO1 ZINC000753593143 1299984429 /nfs/dbraw/zinc/98/44/29/1299984429.db2.gz CASQZVCKEUFQAV-LBPRGKRZSA-N 0 1 329.799 3.160 20 10 EGCDMN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1cc(Br)ccc1[O-] ZINC000756431705 1300490210 /nfs/dbraw/zinc/49/02/10/1300490210.db2.gz DJDGALWXNNKFOX-IINYFYTJSA-N 0 1 327.266 3.146 20 10 EGCDMN C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756553934 1300520800 /nfs/dbraw/zinc/52/08/00/1300520800.db2.gz NIAGRWZFWKUULT-QWRGUYRKSA-N 0 1 345.256 3.286 20 10 EGCDMN C[C@@H](NCc1n[nH]cc1Br)c1cc(F)cc(F)c1O ZINC000756585744 1300526661 /nfs/dbraw/zinc/52/66/61/1300526661.db2.gz MHJSEXDUVCGFCG-ZCFIWIBFSA-N 0 1 332.148 3.007 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)c1cc(Cl)ccc1[O-] ZINC000756765653 1300562395 /nfs/dbraw/zinc/56/23/95/1300562395.db2.gz QJDUONTWJJMRMC-GXTWGEPZSA-N 0 1 325.836 3.424 20 10 EGCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C ZINC000758774211 1300953235 /nfs/dbraw/zinc/95/32/35/1300953235.db2.gz NVGIYGQCPJZIDR-UHFFFAOYSA-N 0 1 339.800 3.357 20 10 EGCDMN Cc1nccc(NCc2ccc(N3CCC(CO)CC3)cc2)c1Cl ZINC000759065547 1301007427 /nfs/dbraw/zinc/00/74/27/1301007427.db2.gz PIDUJHATQYSRKT-UHFFFAOYSA-N 0 1 345.874 3.286 20 10 EGCDMN Cc1ccccc1[C@H]1C(=O)NCCN1Cc1cccc(Cl)c1O ZINC000761225320 1301424311 /nfs/dbraw/zinc/42/43/11/1301424311.db2.gz GLXBHTMVOXVODA-INIZCTEOSA-N 0 1 330.815 3.027 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2cnc(Cl)c(F)c2)c(C)c(C)c1O ZINC000761977309 1301581457 /nfs/dbraw/zinc/58/14/57/1301581457.db2.gz QUMQSCAWEWQOLO-UHFFFAOYSA-N 0 1 344.795 3.306 20 10 EGCDMN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCCc2c[nH]nc21 ZINC000883048482 1302221915 /nfs/dbraw/zinc/22/19/15/1302221915.db2.gz PPQVTUZDDQJDNA-LBPRGKRZSA-N 0 1 340.196 3.184 20 10 EGCDMN CCOc1ccc(CN(C)Cc2cc(C(=O)OC)c(C)o2)c(O)c1 ZINC000768215375 1302856353 /nfs/dbraw/zinc/85/63/53/1302856353.db2.gz DZZQUAPDHIFWQM-UHFFFAOYSA-N 0 1 333.384 3.111 20 10 EGCDMN Oc1cc2c(cc1C[N@H+]1CC[C@H](c3c(F)cccc3F)C1)[C@H](O)CO2 ZINC000768909105 1303011262 /nfs/dbraw/zinc/01/12/62/1303011262.db2.gz GXIRWFOZFLOKKH-APPDUMDISA-N 0 1 347.361 3.086 20 10 EGCDMN COc1cccc2c1nc(-c1ccc(N3CCN(C)CC3)cc1)n2C ZINC000769730732 1303166615 /nfs/dbraw/zinc/16/66/15/1303166615.db2.gz ZVXJKAQCBCQLMJ-UHFFFAOYSA-N 0 1 336.439 3.001 20 10 EGCDMN Cc1nsc(N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)n1 ZINC000771203990 1303375447 /nfs/dbraw/zinc/37/54/47/1303375447.db2.gz SOXBTAIYTUGFCU-CYBMUJFWSA-N 0 1 338.864 3.282 20 10 EGCDMN Cc1nsc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000771203990 1303375450 /nfs/dbraw/zinc/37/54/50/1303375450.db2.gz SOXBTAIYTUGFCU-CYBMUJFWSA-N 0 1 338.864 3.282 20 10 EGCDMN Cc1nsc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)n1 ZINC000771203990 1303375453 /nfs/dbraw/zinc/37/54/53/1303375453.db2.gz SOXBTAIYTUGFCU-CYBMUJFWSA-N 0 1 338.864 3.282 20 10 EGCDMN CC[C@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775484292 1303971088 /nfs/dbraw/zinc/97/10/88/1303971088.db2.gz AOQYYXDVGGFTEO-DLBZAZTESA-N 0 1 340.895 3.443 20 10 EGCDMN CC[C@@H]([NH2+]Cc1ccc(-n2cncn2)nc1)c1cc(Cl)ccc1[O-] ZINC000775486418 1303971570 /nfs/dbraw/zinc/97/15/70/1303971570.db2.gz AXVATXLBLNPQBF-OAHLLOKOSA-N 0 1 343.818 3.262 20 10 EGCDMN CC[C@H](NCc1nnnn1-c1ccccc1)c1cc(Cl)ccc1O ZINC000775495796 1303974094 /nfs/dbraw/zinc/97/40/94/1303974094.db2.gz CFJGZJQBVAJQPG-HNNXBMFYSA-N 0 1 343.818 3.262 20 10 EGCDMN CC[C@H]([NH2+]CCS(=O)(=O)C(C)(C)C)c1cc(Cl)ccc1[O-] ZINC000775520936 1303978325 /nfs/dbraw/zinc/97/83/25/1303978325.db2.gz KNYXDBGLMRJTQU-ZDUSSCGKSA-N 0 1 333.881 3.300 20 10 EGCDMN CC[C@H]([NH2+][C@H]1CCO[C@]2(CCOC2)C1)c1cc(Cl)ccc1[O-] ZINC000775527008 1303979786 /nfs/dbraw/zinc/97/97/86/1303979786.db2.gz VFSOCSDBLSYSAX-JLJPHGGASA-N 0 1 325.836 3.424 20 10 EGCDMN CC(C)c1nc([C@@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)n[nH]1 ZINC000776246302 1304119961 /nfs/dbraw/zinc/11/99/61/1304119961.db2.gz QJBILQRVGKTFFM-CHWSQXEVSA-N 0 1 344.463 3.116 20 10 EGCDMN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000776748327 1304192249 /nfs/dbraw/zinc/19/22/49/1304192249.db2.gz ASOWNEHGMLCLLW-UHFFFAOYSA-N 0 1 327.789 3.163 20 10 EGCDMN C[C@@H]1CN(c2ccc(CNCc3ccc(F)nc3)cc2F)C[C@H](C)O1 ZINC000778158980 1304406233 /nfs/dbraw/zinc/40/62/33/1304406233.db2.gz SQKHALNZLGVLIT-OKILXGFUSA-N 0 1 347.409 3.263 20 10 EGCDMN O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC000779193776 1304541161 /nfs/dbraw/zinc/54/11/61/1304541161.db2.gz TVHKUGJUCLISRK-GOSISDBHSA-N 0 1 328.799 3.141 20 10 EGCDMN O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC000779193776 1304541165 /nfs/dbraw/zinc/54/11/65/1304541165.db2.gz TVHKUGJUCLISRK-GOSISDBHSA-N 0 1 328.799 3.141 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000781905932 1304890136 /nfs/dbraw/zinc/89/01/36/1304890136.db2.gz RTWSYPVLXDWANX-AWEZNQCLSA-N 0 1 339.277 3.133 20 10 EGCDMN Fc1cc(CNCc2scnc2C2CC2)ccc1N1CCOCC1 ZINC000785424968 1305348081 /nfs/dbraw/zinc/34/80/81/1305348081.db2.gz AIMGYAIRLRDMMY-UHFFFAOYSA-N 0 1 347.459 3.286 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785540478 1305374461 /nfs/dbraw/zinc/37/44/61/1305374461.db2.gz JXRUGXSNELNRQV-PKWAYOAASA-N 0 1 325.836 3.230 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)c1[O-] ZINC000785540478 1305374472 /nfs/dbraw/zinc/37/44/72/1305374472.db2.gz JXRUGXSNELNRQV-PKWAYOAASA-N 0 1 325.836 3.230 20 10 EGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(SC)cc1 ZINC000790411190 1306320336 /nfs/dbraw/zinc/32/03/36/1306320336.db2.gz GTISSNOCKPFPBJ-UHFFFAOYSA-N 0 1 339.438 3.314 20 10 EGCDMN Oc1c(F)cc(Br)cc1CN1CCC[C@H]1c1ncc[nH]1 ZINC000894462219 1308902977 /nfs/dbraw/zinc/90/29/77/1308902977.db2.gz QWTXEUGCUBOBQA-LBPRGKRZSA-N 0 1 340.196 3.354 20 10 EGCDMN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782529 1309070149 /nfs/dbraw/zinc/07/01/49/1309070149.db2.gz LKOJLJCVDJACFI-IINYFYTJSA-N 0 1 345.256 3.066 20 10 EGCDMN CC(C)(C)OC(=O)NCC1CC([NH2+]Cc2cc(Cl)ccc2[O-])C1 ZINC000895155280 1309215508 /nfs/dbraw/zinc/21/55/08/1309215508.db2.gz HDYSUSDGGUXGLS-UHFFFAOYSA-N 0 1 340.851 3.439 20 10 EGCDMN 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[O-]c1cc(Br)ccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC001333907147 1390435445 /nfs/dbraw/zinc/43/54/45/1390435445.db2.gz GFCNSKARIARWEK-GFCCVEGCSA-N 0 1 328.250 3.139 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC001333907147 1390435448 /nfs/dbraw/zinc/43/54/48/1390435448.db2.gz GFCNSKARIARWEK-GFCCVEGCSA-N 0 1 328.250 3.139 20 10 EGCDMN COc1c([O-])c(C[N@@H+](Cc2ccccn2)CC(C)C)ccc1[N+](=O)[O-] ZINC001335111701 1390643477 /nfs/dbraw/zinc/64/34/77/1390643477.db2.gz DHYGXFGBVVNGIK-UHFFFAOYSA-N 0 1 345.399 3.362 20 10 EGCDMN COc1c([O-])c(C[N@H+](Cc2ccccn2)CC(C)C)ccc1[N+](=O)[O-] ZINC001335111701 1390643480 /nfs/dbraw/zinc/64/34/80/1390643480.db2.gz DHYGXFGBVVNGIK-UHFFFAOYSA-N 0 1 345.399 3.362 20 10 EGCDMN CCOC(=O)COc1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC001349568081 1391341683 /nfs/dbraw/zinc/34/16/83/1391341683.db2.gz DTGNCVBINHSZKW-UHFFFAOYSA-N 0 1 349.814 3.277 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826268641 1426423641 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CN(C)c1ccc(/C=C/C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])cc1 ZINC000901987765 980668921 /nfs/dbraw/zinc/66/89/21/980668921.db2.gz GDTZRRVTIAMFIO-RRFGBZISSA-N 0 1 336.435 3.450 20 10 EGCDMN CC[C@@H](C)C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001594953297 982678482 /nfs/dbraw/zinc/67/84/82/982678482.db2.gz NCZCHPIFEIQZMZ-BXKDBHETSA-N 0 1 330.222 3.134 20 10 EGCDMN CN(C)c1ccc(C[N@@H+](C)Cc2cc(C(=O)[O-])c3n2CCCC3)cc1 ZINC001598519477 992661384 /nfs/dbraw/zinc/66/13/84/992661384.db2.gz SIKZHZKHWQJIOP-UHFFFAOYSA-N 0 1 341.455 3.221 20 10 EGCDMN CN(Cc1ccccc1O)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528415578 313088273 /nfs/dbraw/zinc/08/82/73/313088273.db2.gz FTUNDUICNBMBCC-MRXNPFEDSA-N 0 1 348.805 3.422 20 10 EGCDMN CCc1nn(C)c(OC)c1CN[C@H](C)c1ccc(N(C)CC)cc1 ZINC000089211657 454126271 /nfs/dbraw/zinc/12/62/71/454126271.db2.gz XTKROIGEAPPBSL-CQSZACIVSA-N 0 1 330.476 3.298 20 10 EGCDMN CCc1ccc(CNCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000131117299 454237080 /nfs/dbraw/zinc/23/70/80/454237080.db2.gz 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C[C@@H]([NH2+]Cc1cccc(CO)c1)c1ccc(Br)cc1[O-] ZINC000185373467 455550839 /nfs/dbraw/zinc/55/08/39/455550839.db2.gz LZGFSBXJTPCQPB-LLVKDONJSA-N 0 1 336.229 3.498 20 10 EGCDMN C[C@@H](N[C@@H]1CCCc2c[nH]nc21)c1ccc(N2CCOCC2)c(F)c1 ZINC000271534001 455674750 /nfs/dbraw/zinc/67/47/50/455674750.db2.gz RRZWXBGPGFKJHE-CXAGYDPISA-N 0 1 344.434 3.114 20 10 EGCDMN C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H](O)COCc1ccccc1 ZINC000271740271 455740868 /nfs/dbraw/zinc/74/08/68/455740868.db2.gz QIKUGARMVBHEQV-MRXNPFEDSA-N 0 1 335.831 3.055 20 10 EGCDMN COc1c([O-])c(C[NH2+][C@H](c2ncccc2C)C(C)C)ccc1[N+](=O)[O-] ZINC000278309954 455814030 /nfs/dbraw/zinc/81/40/30/455814030.db2.gz DWRHVNXSIIEAIW-HNNXBMFYSA-N 0 1 345.399 3.499 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285305954 455821236 /nfs/dbraw/zinc/82/12/36/455821236.db2.gz WDWBSIJVWCTYPP-UKRRQHHQSA-N 0 1 326.234 3.298 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000285305954 455821238 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C[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1[O-] ZINC000188028436 455981922 /nfs/dbraw/zinc/98/19/22/455981922.db2.gz NMPRJMYYPSWRSQ-WDMOLILDSA-N 0 1 328.250 3.356 20 10 EGCDMN CCn1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)cn1 ZINC000280773325 456049212 /nfs/dbraw/zinc/04/92/12/456049212.db2.gz FGLFODYWZZSBFS-UHFFFAOYSA-N 0 1 326.366 3.278 20 10 EGCDMN CC[N@@H+](Cc1ccc(OC)c(OC)c1)Cc1cc2c(cc1O)OCO2 ZINC000271026716 456102519 /nfs/dbraw/zinc/10/25/19/456102519.db2.gz FILPCJPYNBVOCV-UHFFFAOYSA-N 0 1 345.395 3.160 20 10 EGCDMN Cc1noc(CCC[NH2+][C@@H](C)c2ccc(Br)cc2[O-])n1 ZINC000273344748 456224119 /nfs/dbraw/zinc/22/41/19/456224119.db2.gz AKOKQAVLTWDFNK-VIFPVBQESA-N 0 1 340.221 3.130 20 10 EGCDMN C[C@H](NCc1ncnn1C(C)(C)C)c1cc2c(cc1O)CCCC2 ZINC000282739259 456609490 /nfs/dbraw/zinc/60/94/90/456609490.db2.gz NARUPWYITAGFSM-ZDUSSCGKSA-N 0 1 328.460 3.468 20 10 EGCDMN CN(C)c1ccc(CN(Cc2ccc(C(N)=O)cc2F)C2CC2)cc1 ZINC000292062071 456844544 /nfs/dbraw/zinc/84/45/44/456844544.db2.gz 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575254566 /nfs/dbraw/zinc/25/45/66/575254566.db2.gz UNOBVXMCSVAMNS-UHFFFAOYSA-N 0 1 344.480 3.234 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)[C@@H](C)C(C)(C)C)cc2F)CC1 ZINC000734389875 575484332 /nfs/dbraw/zinc/48/43/32/575484332.db2.gz AEGJEWXAISTBLT-OAHLLOKOSA-N 0 1 349.494 3.266 20 10 EGCDMN Cc1cc(O)c(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1C ZINC000742159690 576753438 /nfs/dbraw/zinc/75/34/38/576753438.db2.gz SMSIMQGBHNXSQY-HNNXBMFYSA-N 0 1 334.460 3.450 20 10 EGCDMN CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C(=O)[O-])cc1 ZINC000833651047 605488921 /nfs/dbraw/zinc/48/89/21/605488921.db2.gz LNUPQPAEDHMWMI-RTBURBONSA-N 0 1 348.487 3.377 20 10 EGCDMN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl ZINC000033750717 1291387834 /nfs/dbraw/zinc/38/78/34/1291387834.db2.gz LGVJQSJDOAAAAU-UHFFFAOYSA-N 0 1 329.736 3.009 20 10 EGCDMN CC(C)(C)c1cc(O)c(O)c(CN2CCN(c3ccccn3)CC2)c1 ZINC000042910024 1291447386 /nfs/dbraw/zinc/44/73/86/1291447386.db2.gz IMSRTAXKORPPNP-UHFFFAOYSA-N 0 1 341.455 3.113 20 10 EGCDMN Cc1cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)ccc1N1CCCCC1 ZINC000828037014 1292421611 /nfs/dbraw/zinc/42/16/11/1292421611.db2.gz RUBGVTBVZZAWKE-NHCUHLMSSA-N 0 1 344.499 3.365 20 10 EGCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093281431 1292913802 /nfs/dbraw/zinc/91/38/02/1292913802.db2.gz GYBLHHZKLGCMAM-ZDUSSCGKSA-N 0 1 338.879 3.420 20 10 EGCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000093281431 1292913818 /nfs/dbraw/zinc/91/38/18/1292913818.db2.gz GYBLHHZKLGCMAM-ZDUSSCGKSA-N 0 1 338.879 3.420 20 10 EGCDMN NC(=O)C[N@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093358535 1292919156 /nfs/dbraw/zinc/91/91/56/1292919156.db2.gz BZOAJUURMZYXJS-UHFFFAOYSA-N 0 1 339.222 3.187 20 10 EGCDMN NC(=O)C[N@@H+](Cc1ccccc1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000093358535 1292919164 /nfs/dbraw/zinc/91/91/64/1292919164.db2.gz BZOAJUURMZYXJS-UHFFFAOYSA-N 0 1 339.222 3.187 20 10 EGCDMN CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000834535015 1293112690 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COc1cccc2c1CCN(Cc1ccc(N3CCOCC3)cc1)C2 ZINC000180785300 1294915932 /nfs/dbraw/zinc/91/59/32/1294915932.db2.gz LSMJVXWQZAWSFT-UHFFFAOYSA-N 0 1 338.451 3.090 20 10 EGCDMN Cc1cc(C)c(O)c(CN2CCN([C@H](C)c3nccs3)CC2)c1 ZINC000184903392 1295227320 /nfs/dbraw/zinc/22/73/20/1295227320.db2.gz UAITWAZBAGXLSQ-OAHLLOKOSA-N 0 1 331.485 3.344 20 10 EGCDMN C[C@H](c1ccccc1)[N@@H+](CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527392 1296073850 /nfs/dbraw/zinc/07/38/50/1296073850.db2.gz IZPUFTBXYKJPMN-MRXNPFEDSA-N 0 1 338.451 3.482 20 10 EGCDMN C[C@H](c1ccccc1)N(CC(=O)NCC1CC1)Cc1ccccc1O ZINC000195527392 1296073866 /nfs/dbraw/zinc/07/38/66/1296073866.db2.gz IZPUFTBXYKJPMN-MRXNPFEDSA-N 0 1 338.451 3.482 20 10 EGCDMN CO[C@@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000230299866 1296163287 /nfs/dbraw/zinc/16/32/87/1296163287.db2.gz WUAFCHVYYQPOMB-HNNXBMFYSA-N 0 1 328.250 3.464 20 10 EGCDMN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1cc(Br)ccc1[O-] ZINC000228846870 1296154658 /nfs/dbraw/zinc/15/46/58/1296154658.db2.gz 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CC(=O)c1cc(F)cc(C[NH2+]C(C)(C)C(=O)Nc2ccccc2)c1[O-] ZINC000766920853 1302547509 /nfs/dbraw/zinc/54/75/09/1302547509.db2.gz SLMVRBCSTOXXPC-UHFFFAOYSA-N 0 1 344.386 3.241 20 10 EGCDMN CN(C)c1ccc(CN(C)C[C@@H]2COc3ccccc3O2)cc1F ZINC000768179573 1302847043 /nfs/dbraw/zinc/84/70/43/1302847043.db2.gz IRAZDFSZYUALAX-OAHLLOKOSA-N 0 1 330.403 3.164 20 10 EGCDMN CN(CC[N@H+](C)Cc1c([O-])ccc2ccncc21)C(=O)OC(C)(C)C ZINC000768464898 1302913834 /nfs/dbraw/zinc/91/38/34/1302913834.db2.gz GDZUAPDCMQRMKV-UHFFFAOYSA-N 0 1 345.443 3.239 20 10 EGCDMN CN(CC[N@@H+](C)Cc1c([O-])ccc2ccncc21)C(=O)OC(C)(C)C ZINC000768464898 1302913842 /nfs/dbraw/zinc/91/38/42/1302913842.db2.gz GDZUAPDCMQRMKV-UHFFFAOYSA-N 0 1 345.443 3.239 20 10 EGCDMN CCOc1ccc(CN2CCN([C@H](C)c3cccnc3)CC2)c(O)c1 ZINC000769425683 1303111228 /nfs/dbraw/zinc/11/12/28/1303111228.db2.gz SEEFHSWNDKHBHQ-MRXNPFEDSA-N 0 1 341.455 3.065 20 10 EGCDMN [O-]c1ccc(Cl)c(F)c1C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000775139642 1303915276 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ZINC000787425159 1305743418 /nfs/dbraw/zinc/74/34/18/1305743418.db2.gz UGANHSINJPKVQF-SFHVURJKSA-N 0 1 333.815 3.266 20 10 EGCDMN CSc1ccc(CN(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000893910522 1306125597 /nfs/dbraw/zinc/12/55/97/1306125597.db2.gz KIPNRCRRRFQPME-UHFFFAOYSA-N 0 1 332.469 3.470 20 10 EGCDMN [O-]c1c(F)cc(Br)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000894073265 1306201680 /nfs/dbraw/zinc/20/16/80/1306201680.db2.gz ULOWZDHCTOCEKY-WDEREUQCSA-N 0 1 344.224 3.152 20 10 EGCDMN C[C@@H](O)CC(C)(C)CNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000806858346 1317531681 /nfs/dbraw/zinc/53/16/81/1317531681.db2.gz KWDULDIWKGDQQV-SECBINFHSA-N 0 1 349.258 3.295 20 10 EGCDMN COC(=O)[C@H](NCc1cc(F)cc(F)c1O)c1ccc(C)c(C)c1 ZINC000894495649 1308922032 /nfs/dbraw/zinc/92/20/32/1308922032.db2.gz PKPCIIOKHUJLIU-MRXNPFEDSA-N 0 1 335.350 3.291 20 10 EGCDMN C[C@@H](c1ccccc1)N(C)C(=O)CN(C)Cc1cc(F)cc(F)c1O ZINC000894671138 1309016374 /nfs/dbraw/zinc/01/63/74/1309016374.db2.gz BAJPCXPDOHKFDX-ZDUSSCGKSA-N 0 1 348.393 3.322 20 10 EGCDMN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)cc(F)c1[O-] ZINC000894686548 1309021759 /nfs/dbraw/zinc/02/17/59/1309021759.db2.gz RHWHTHGSMSLERG-CABCVRRESA-N 0 1 331.366 3.224 20 10 EGCDMN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894782526 1309069428 /nfs/dbraw/zinc/06/94/28/1309069428.db2.gz LKOJLJCVDJACFI-HZMBPMFUSA-N 0 1 345.256 3.066 20 10 EGCDMN C[C@H]1CN(Cc2c(O)ccc(Cl)c2F)C[C@@H](C(F)(F)F)O1 ZINC000792169132 1309134183 /nfs/dbraw/zinc/13/41/83/1309134183.db2.gz JJHCZRJLGLMYNP-CPCISQLKSA-N 0 1 327.705 3.336 20 10 EGCDMN CC[C@@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1c(O)ccc(Cl)c1F ZINC000792170786 1309135868 /nfs/dbraw/zinc/13/58/68/1309135868.db2.gz XJUWTBQEUSNENW-OLZOCXBDSA-N 0 1 342.842 3.406 20 10 EGCDMN CN(C)c1ccc(CN2CCC(Oc3ccc(F)nc3)CC2)cc1F ZINC000792184753 1309138856 /nfs/dbraw/zinc/13/88/56/1309138856.db2.gz WKHMFGHMQMKRSI-UHFFFAOYSA-N 0 1 347.409 3.469 20 10 EGCDMN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC000895034854 1309166345 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ZINC001233336175 1376619956 /nfs/dbraw/zinc/61/99/56/1376619956.db2.gz BKCMALNFZSNTSG-QAPCUYQASA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001233336175 1376619961 /nfs/dbraw/zinc/61/99/61/1376619961.db2.gz BKCMALNFZSNTSG-QAPCUYQASA-N 0 1 344.405 3.377 20 10 EGCDMN O=c1[nH]cc(CN2CCCc3cc(O)c(O)cc3C2)c2ccccc12 ZINC001234017067 1376754227 /nfs/dbraw/zinc/75/42/27/1376754227.db2.gz RUCDWSDOPBHTEC-UHFFFAOYSA-N 0 1 336.391 3.300 20 10 EGCDMN Oc1ccc(Br)cc1C[N@@H+]1CCCCC12CC[NH2+]CC2 ZINC001235189848 1376856237 /nfs/dbraw/zinc/85/62/37/1376856237.db2.gz DYPJHKLROREMMU-UHFFFAOYSA-N 0 1 339.277 3.263 20 10 EGCDMN [O-]c1c(Br)cc(F)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC001235305561 1376867309 /nfs/dbraw/zinc/86/73/09/1376867309.db2.gz NUARZBHMTWZHNJ-CQSZACIVSA-N 0 1 330.197 3.049 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@](C)(O)[C@@H](C)C2)c1 ZINC001236662567 1376960205 /nfs/dbraw/zinc/96/02/05/1376960205.db2.gz FKBWHYXUMNVVNS-LRDDRELGSA-N 0 1 342.277 3.446 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c1 ZINC001236662290 1376960841 /nfs/dbraw/zinc/96/08/41/1376960841.db2.gz BUCLFSALIWJNGU-SMDDNHRTSA-N 0 1 328.250 3.056 20 10 EGCDMN C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@]1(C)O ZINC001237053488 1376971298 /nfs/dbraw/zinc/97/12/98/1376971298.db2.gz MPEXSUCHWZLNOJ-WBMJQRKESA-N 0 1 347.377 3.316 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CCC[C@]1(C)O ZINC001237053488 1376971300 /nfs/dbraw/zinc/97/13/00/1376971300.db2.gz MPEXSUCHWZLNOJ-WBMJQRKESA-N 0 1 347.377 3.316 20 10 EGCDMN COc1cc(CN2CCN(c3ccccc3C)CC2)c(O)c(OC)c1 ZINC001237675213 1376983632 /nfs/dbraw/zinc/98/36/32/1376983632.db2.gz URQPZDGRRRKRPH-UHFFFAOYSA-N 0 1 342.439 3.040 20 10 EGCDMN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC001138129573 1377682421 /nfs/dbraw/zinc/68/24/21/1377682421.db2.gz KUCOXEWIUYZBIB-ZDUSSCGKSA-N 0 1 338.423 3.363 20 10 EGCDMN C[C@@]1(F)CCN(Cc2cc3c4c(c2O)CCCN4CCC3)C[C@@H]1F ZINC001138338121 1377705263 /nfs/dbraw/zinc/70/52/63/1377705263.db2.gz KHRINGPVKGXEDX-QFBILLFUSA-N 0 1 336.426 3.363 20 10 EGCDMN Oc1cc2c(cc1O)CN(Cc1ccc3c(c1)CCCO3)CCC2 ZINC001138719544 1377772864 /nfs/dbraw/zinc/77/28/64/1377772864.db2.gz WHXZGYOMFGUIST-UHFFFAOYSA-N 0 1 325.408 3.371 20 10 EGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CCC(=O)[C@@H]2CCCC[C@@H]21 ZINC001139126256 1377833868 /nfs/dbraw/zinc/83/38/68/1377833868.db2.gz CTSXJAVQWOADHI-ZBFHGGJFSA-N 0 1 341.407 3.141 20 10 EGCDMN Cc1cc([C@H]2CCC[N@H+]2Cc2c([O-])ccc3c(C)cc(=O)oc32)no1 ZINC001139126414 1377833947 /nfs/dbraw/zinc/83/39/47/1377833947.db2.gz GHOPVSRICPOPIY-MRXNPFEDSA-N 0 1 340.379 3.441 20 10 EGCDMN COc1ccccc1C[N@@H+](C)Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139128075 1377835183 /nfs/dbraw/zinc/83/51/83/1377835183.db2.gz SICODWWJBVEXOG-UHFFFAOYSA-N 0 1 339.391 3.448 20 10 EGCDMN Cc1cc(=O)oc2c1ccc([O-])c2C[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC001139129290 1377835229 /nfs/dbraw/zinc/83/52/29/1377835229.db2.gz UVYUXSAZCFXCKB-JTQLQIEISA-N 0 1 327.302 3.191 20 10 EGCDMN Cc1cc(=O)oc2c1ccc(O)c2CN(C)CC(=O)c1ccccc1 ZINC001139131985 1377835770 /nfs/dbraw/zinc/83/57/70/1377835770.db2.gz RHFDQVIPIGMQRN-UHFFFAOYSA-N 0 1 337.375 3.122 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684131 1377933625 /nfs/dbraw/zinc/93/36/25/1377933625.db2.gz HVNQXKUVJQWJKI-NSHDSACASA-N 0 1 342.386 3.160 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)ccc(F)c2[O-])C1 ZINC001139684131 1377933626 /nfs/dbraw/zinc/93/36/26/1377933626.db2.gz HVNQXKUVJQWJKI-NSHDSACASA-N 0 1 342.386 3.160 20 10 EGCDMN COc1ccc(CC[N@@H+](C)Cc2c(F)ccc(F)c2[O-])cc1OC ZINC001139685511 1377933682 /nfs/dbraw/zinc/93/36/82/1377933682.db2.gz MABGGFCBQPMQQJ-UHFFFAOYSA-N 0 1 337.366 3.362 20 10 EGCDMN COC[C@]12CCCO[C@H]1CC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339199 1378049135 /nfs/dbraw/zinc/04/91/35/1378049135.db2.gz FGTZRFMTXGDAHJ-DLBZAZTESA-N 0 1 325.836 3.063 20 10 EGCDMN COC[C@]12CCCO[C@H]1CC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140339199 1378049139 /nfs/dbraw/zinc/04/91/39/1378049139.db2.gz FGTZRFMTXGDAHJ-DLBZAZTESA-N 0 1 325.836 3.063 20 10 EGCDMN COCC[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140340136 1378049374 /nfs/dbraw/zinc/04/93/74/1378049374.db2.gz ROBBDRWWWYEZCO-RDTXWAMCSA-N 0 1 339.863 3.453 20 10 EGCDMN COCC[C@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140340136 1378049377 /nfs/dbraw/zinc/04/93/77/1378049377.db2.gz ROBBDRWWWYEZCO-RDTXWAMCSA-N 0 1 339.863 3.453 20 10 EGCDMN O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465614 1378067991 /nfs/dbraw/zinc/06/79/91/1378067991.db2.gz QXWKLZDYMOSZKV-MRXNPFEDSA-N 0 1 348.874 3.316 20 10 EGCDMN [O-]c1cc(F)cc(F)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001140583660 1378090425 /nfs/dbraw/zinc/09/04/25/1378090425.db2.gz QBFHJTUIXNFQCV-IYBDPMFKSA-N 0 1 344.405 3.234 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2c([O-])cc(F)cc2F)C1 ZINC001140583319 1378090467 /nfs/dbraw/zinc/09/04/67/1378090467.db2.gz DXVBULABGCNWMJ-NSHDSACASA-N 0 1 342.386 3.017 20 10 EGCDMN Cc1ccc(O)c(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)c1 ZINC001140619535 1378099725 /nfs/dbraw/zinc/09/97/25/1378099725.db2.gz GUSBYQVBOPBIGQ-CVEARBPZSA-N 0 1 332.444 3.284 20 10 EGCDMN Fc1cc(N2CCOCC2)ccc1CN1CCCC(F)(F)CC1 ZINC001140660608 1378108141 /nfs/dbraw/zinc/10/81/41/1378108141.db2.gz XSABVMANRNGIQN-UHFFFAOYSA-N 0 1 328.378 3.284 20 10 EGCDMN Cc1nccnc1O[C@@H]1CCN(Cc2ccc(N(C)C)cc2Cl)C1 ZINC001140926502 1378183006 /nfs/dbraw/zinc/18/30/06/1378183006.db2.gz MPEPOULYESWJIO-MRXNPFEDSA-N 0 1 346.862 3.158 20 10 EGCDMN CN(C)c1ccc(CN2CCC[C@H](Oc3ncccn3)C2)c(Cl)c1 ZINC001140926846 1378183135 /nfs/dbraw/zinc/18/31/35/1378183135.db2.gz XIQYGNJNPOODQP-INIZCTEOSA-N 0 1 346.862 3.239 20 10 EGCDMN Cc1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c(O)c1 ZINC001140954346 1378191928 /nfs/dbraw/zinc/19/19/28/1378191928.db2.gz QTKPYPFZQYSGIA-UHFFFAOYSA-N 0 1 336.435 3.152 20 10 EGCDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1c(O)cc(OC)cc1OC ZINC001141030717 1378212680 /nfs/dbraw/zinc/21/26/80/1378212680.db2.gz IGURHFLKPYTUGO-UHFFFAOYSA-N 0 1 331.412 3.440 20 10 EGCDMN COc1cc(O)c(C[N@H+]2CC[C@H](Cc3ccccc3)C2)c(OC)c1 ZINC001141028104 1378212995 /nfs/dbraw/zinc/21/29/95/1378212995.db2.gz BJYHAVWVAURTNS-MRXNPFEDSA-N 0 1 327.424 3.474 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2cc(F)c(F)cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001142527217 1378453566 /nfs/dbraw/zinc/45/35/66/1378453566.db2.gz OPOZTYNCLDVJBR-YGRLFVJLSA-N 0 1 342.386 3.015 20 10 EGCDMN CN(C)c1ccc(/C=C/c2ccc(NC(=O)C3CN(C)C3)cc2)cc1 ZINC001142599273 1378463354 /nfs/dbraw/zinc/46/33/54/1378463354.db2.gz SAHHJIOCVYXPPE-SNAWJCMRSA-N 0 1 335.451 3.423 20 10 EGCDMN CC(=O)[C@@H]1CCCCN1Cc1cc(Br)c(F)cc1O ZINC001144306528 1378714356 /nfs/dbraw/zinc/71/43/56/1378714356.db2.gz FRESKHSYSHFELN-ZDUSSCGKSA-N 0 1 330.197 3.237 20 10 EGCDMN Cc1nc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1Cl ZINC001156656729 1380605576 /nfs/dbraw/zinc/60/55/76/1380605576.db2.gz ZSGGTCDVFCXVPH-UHFFFAOYSA-N 0 1 330.863 3.407 20 10 EGCDMN COc1cc2cnc(NCc3ccc(O)c(O)c3)cc2cc1OC ZINC001158997387 1381503172 /nfs/dbraw/zinc/50/31/72/1381503172.db2.gz GBFSGSPGXLIXBF-UHFFFAOYSA-N 0 1 326.352 3.275 20 10 EGCDMN CN1CCN(c2ccc(CNc3ccc(-n4cccc4)cn3)cc2)CC1 ZINC001167426929 1383631341 /nfs/dbraw/zinc/63/13/41/1383631341.db2.gz PBTQAUPZIIIWLV-UHFFFAOYSA-N 0 1 347.466 3.236 20 10 EGCDMN C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC(=O)c1ccc([O-])c(O)c1 ZINC001172862132 1384867475 /nfs/dbraw/zinc/86/74/75/1384867475.db2.gz XQBMJLIUCDOMCZ-JTQLQIEISA-N 0 1 337.778 3.294 20 10 EGCDMN COc1cccc(O)c1CNCc1cccc(OCC(F)(F)F)n1 ZINC001321076191 1386802369 /nfs/dbraw/zinc/80/23/69/1386802369.db2.gz KSIOATUBLMLIMB-UHFFFAOYSA-N 0 1 342.317 3.027 20 10 EGCDMN C[S@@](=O)C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005201 1389513471 /nfs/dbraw/zinc/51/34/71/1389513471.db2.gz ORMVAKXKTVVDMD-GBXCKJPGSA-N 0 1 342.508 3.496 20 10 EGCDMN COc1ccc(CN2Cc3ccccc3OC[C@@H]2C)c(O)c1OC ZINC001333705654 1390379455 /nfs/dbraw/zinc/37/94/55/1390379455.db2.gz KGAQAKQQLFIAJS-ZDUSSCGKSA-N 0 1 329.396 3.193 20 10 EGCDMN COc1ccc(CN2Cc3ccccc3OC[C@H]2C)c(O)c1OC ZINC001333705653 1390379657 /nfs/dbraw/zinc/37/96/57/1390379657.db2.gz KGAQAKQQLFIAJS-CYBMUJFWSA-N 0 1 329.396 3.193 20 10 EGCDMN Cc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)ccc1N(C)C ZINC001594303641 957935246 /nfs/dbraw/zinc/93/52/46/957935246.db2.gz XFDMFTIYIWKOAX-RBUKOAKNSA-N 0 1 338.451 3.361 20 10 EGCDMN C[C@@H](C(=O)[O-])[N@@H+](Cc1ccc(N(C)C)cc1C(F)(F)F)C1CC1 ZINC001588596343 959372545 /nfs/dbraw/zinc/37/25/45/959372545.db2.gz FGTBFYJCOKHZJJ-JTQLQIEISA-N 0 1 330.350 3.209 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH2+]C2(CC(=O)[O-])CCCC2)c1O ZINC001589268252 985953035 /nfs/dbraw/zinc/95/30/35/985953035.db2.gz PTJPZJJFALHMPT-UHFFFAOYSA-N 0 1 325.792 3.125 20 10 EGCDMN CN(C)c1cc(F)c(C[N@@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F ZINC001598305437 991258702 /nfs/dbraw/zinc/25/87/02/991258702.db2.gz FOGCOIYPEXQDDX-SFHVURJKSA-N 0 1 346.377 3.042 20 10 EGCDMN CN(C)c1cc(F)c(C[N@H+]2Cc3ccccc3C[C@H]2C(=O)[O-])cc1F ZINC001598305437 991258712 /nfs/dbraw/zinc/25/87/12/991258712.db2.gz FOGCOIYPEXQDDX-SFHVURJKSA-N 0 1 346.377 3.042 20 10 EGCDMN C[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)CC1=CCCOC1 ZINC001598446845 991883125 /nfs/dbraw/zinc/88/31/25/991883125.db2.gz JYFSSOMCAPBGQH-UHFFFAOYSA-N 0 1 327.380 3.022 20 10 EGCDMN COCC[N@H+](Cc1c(O)c(C(=O)[O-])cc2ccccc21)CC(C)C ZINC001599237759 997975846 /nfs/dbraw/zinc/97/58/46/997975846.db2.gz DNQPTSVGGHJORY-UHFFFAOYSA-N 0 1 331.412 3.348 20 10 EGCDMN COc1ccc(O)c(CN(C)Cc2ccc(Br)o2)c1 ZINC000179681654 455066734 /nfs/dbraw/zinc/06/67/34/455066734.db2.gz YBLMCKLBXJWWHO-UHFFFAOYSA-N 0 1 326.190 3.388 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000121774002 454475085 /nfs/dbraw/zinc/47/50/85/454475085.db2.gz JENXOWPRAOTYJH-CYBMUJFWSA-N 0 1 342.830 3.468 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000121774002 454475087 /nfs/dbraw/zinc/47/50/87/454475087.db2.gz JENXOWPRAOTYJH-CYBMUJFWSA-N 0 1 342.830 3.468 20 10 EGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070317 454514771 /nfs/dbraw/zinc/51/47/71/454514771.db2.gz JMWFZIVCGZGOFR-NSHDSACASA-N 0 1 341.242 3.203 20 10 EGCDMN C[C@@H](NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)cn1 ZINC000092740585 454622659 /nfs/dbraw/zinc/62/26/59/454622659.db2.gz LMTHDHKJWHDTME-OAHLLOKOSA-N 0 1 343.446 3.280 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093504824 454719938 /nfs/dbraw/zinc/71/99/38/454719938.db2.gz XJZGNDBWEZLPJL-ABAIWWIYSA-N 0 1 326.234 3.156 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000093504824 454719941 /nfs/dbraw/zinc/71/99/41/454719941.db2.gz XJZGNDBWEZLPJL-ABAIWWIYSA-N 0 1 326.234 3.156 20 10 EGCDMN Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000109772528 454835176 /nfs/dbraw/zinc/83/51/76/454835176.db2.gz JFKLWPVLYKCSSI-UHFFFAOYSA-N 0 1 343.383 3.069 20 10 EGCDMN COc1ncccc1C[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000184985394 455481899 /nfs/dbraw/zinc/48/18/99/455481899.db2.gz ZVFKRUIQCOJBOI-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN O=C1CCCN1c1cccc(C[NH2+]Cc2c([O-])cccc2Cl)c1 ZINC000113321744 454923124 /nfs/dbraw/zinc/92/31/24/454923124.db2.gz UEUVQNNGDGFIAR-UHFFFAOYSA-N 0 1 330.815 3.462 20 10 EGCDMN CCC[N@@H+](CCn1cnc2ccccc2c1=O)Cc1ccccc1O ZINC000117338006 455083758 /nfs/dbraw/zinc/08/37/58/455083758.db2.gz GSMWMJGPEHGPIP-UHFFFAOYSA-N 0 1 337.423 3.014 20 10 EGCDMN O=C(c1cccc(F)c1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179922546 455099666 /nfs/dbraw/zinc/09/96/66/455099666.db2.gz JQIBIONBORQPPF-UHFFFAOYSA-N 0 1 346.377 3.019 20 10 EGCDMN C[N@H+](CCC1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000129612582 455118399 /nfs/dbraw/zinc/11/83/99/455118399.db2.gz SRPHHOSHAPAJAO-UHFFFAOYSA-N 0 1 328.250 3.403 20 10 EGCDMN C[N@@H+](CCC1CCOCC1)Cc1cc(Br)ccc1[O-] ZINC000129612582 455118403 /nfs/dbraw/zinc/11/84/03/455118403.db2.gz SRPHHOSHAPAJAO-UHFFFAOYSA-N 0 1 328.250 3.403 20 10 EGCDMN Oc1c(Cl)cccc1CN1CCn2c(nnc2-c2ccccc2)C1 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ZINC000373225243 458435812 /nfs/dbraw/zinc/43/58/12/458435812.db2.gz DLCDVDNCEJQFAX-GFCCVEGCSA-N 0 1 335.835 3.167 20 10 EGCDMN Cc1c2ccccc2n(C)c1CNCc1cnc(N2CCCC2)nc1 ZINC000527237027 459612824 /nfs/dbraw/zinc/61/28/24/459612824.db2.gz ARMMEHWUGBQNCR-UHFFFAOYSA-N 0 1 335.455 3.167 20 10 EGCDMN CCC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000727238459 574655486 /nfs/dbraw/zinc/65/54/86/574655486.db2.gz VSRNIXSMHUKCIE-UHFFFAOYSA-N 0 1 339.483 3.281 20 10 EGCDMN CCCN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000727238459 574655487 /nfs/dbraw/zinc/65/54/87/574655487.db2.gz VSRNIXSMHUKCIE-UHFFFAOYSA-N 0 1 339.483 3.281 20 10 EGCDMN CC1(C)CCc2cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)ccc2O1 ZINC000731564481 575080813 /nfs/dbraw/zinc/08/08/13/575080813.db2.gz GJQOUCJNSFLNAU-GHRIWEEISA-N 0 1 348.402 3.252 20 10 EGCDMN CC(C)N(CC(=O)NCc1ccccc1)Cc1ccc(N(C)C)cc1 ZINC000732408335 575266285 /nfs/dbraw/zinc/26/62/85/575266285.db2.gz JEYIOACTTYUAPS-UHFFFAOYSA-N 0 1 339.483 3.279 20 10 EGCDMN CCCC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)Nc1cc(C)on1 ZINC000732919546 575296231 /nfs/dbraw/zinc/29/62/31/575296231.db2.gz KZBRQHPMBWLPDF-MRXNPFEDSA-N 0 1 343.427 3.205 20 10 EGCDMN C[C@H]1CCCN(C(=O)C[N@@H+](Cc2ccccc2O)C2CCCC2)C1 ZINC000733613891 575375385 /nfs/dbraw/zinc/37/53/85/575375385.db2.gz PFZQNNKDQAETPW-INIZCTEOSA-N 0 1 330.472 3.395 20 10 EGCDMN COc1ccc(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000737992191 576278658 /nfs/dbraw/zinc/27/86/58/576278658.db2.gz JRALHXLMEWASRX-UHFFFAOYSA-N 0 1 349.814 3.184 20 10 EGCDMN O=C([O-])C[N@@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)CCC2 ZINC000739795457 576505775 /nfs/dbraw/zinc/50/57/75/576505775.db2.gz IEGJXQAAQGCWPK-UHFFFAOYSA-N 0 1 347.361 3.246 20 10 EGCDMN CC(C)OC(=O)[C@@H](C)[N@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000826990641 601895199 /nfs/dbraw/zinc/89/51/99/601895199.db2.gz WRYLEKOWXCVSKC-GFCCVEGCSA-N 0 1 345.395 3.016 20 10 EGCDMN CC(C)OC(=O)[C@@H](C)[N@@H+](C)Cc1c(O)c(C(=O)[O-])cc2ccccc21 ZINC000826990641 601895202 /nfs/dbraw/zinc/89/52/02/601895202.db2.gz WRYLEKOWXCVSKC-GFCCVEGCSA-N 0 1 345.395 3.016 20 10 EGCDMN C[N@@H+](Cc1ccc(C(=O)[O-])[nH]1)Cc1ccc(N2CCCCC2)cc1 ZINC000833695510 605100577 /nfs/dbraw/zinc/10/05/77/605100577.db2.gz OTGUWUWJLSBGAM-UHFFFAOYSA-N 0 1 327.428 3.335 20 10 EGCDMN Cc1cc(C)c(NS(=O)(=O)c2cccc3nsnc32)c(C)c1 ZINC000014255502 1291140034 /nfs/dbraw/zinc/14/00/34/1291140034.db2.gz MFTODWQILYRBGN-UHFFFAOYSA-N 0 1 333.438 3.417 20 10 EGCDMN Cc1cccc(N2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1C ZINC000016081245 1291163925 /nfs/dbraw/zinc/16/39/25/1291163925.db2.gz QZWDCVYRLPSJEQ-UHFFFAOYSA-N 0 1 340.423 3.060 20 10 EGCDMN CCOC[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000093419262 1292921342 /nfs/dbraw/zinc/92/13/42/1292921342.db2.gz APENOFWZJXCVNT-LBPRGKRZSA-N 0 1 328.250 3.403 20 10 EGCDMN Oc1cc2c(cc1C[N@H+]1CCSC[C@@H]1c1ccccc1)OCO2 ZINC000151775149 1293938194 /nfs/dbraw/zinc/93/81/94/1293938194.db2.gz LNFLBXIBPVVSJX-OAHLLOKOSA-N 0 1 329.421 3.411 20 10 EGCDMN Oc1cc2c(cc1CN1CCSC[C@@H]1c1ccccc1)OCO2 ZINC000151775149 1293938200 /nfs/dbraw/zinc/93/82/00/1293938200.db2.gz LNFLBXIBPVVSJX-OAHLLOKOSA-N 0 1 329.421 3.411 20 10 EGCDMN Cc1ncsc1CC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172536789 1294439118 /nfs/dbraw/zinc/43/91/18/1294439118.db2.gz PEDVFFCSVCPWPU-INIZCTEOSA-N 0 1 332.469 3.381 20 10 EGCDMN Cc1nccnc1[C@H](C)NCc1ccc(N2CCSCC2)cc1 ZINC000187792796 1295416245 /nfs/dbraw/zinc/41/62/45/1295416245.db2.gz PRUBTCVNJBVBLJ-HNNXBMFYSA-N 0 1 328.485 3.189 20 10 EGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)ccc1C ZINC000189418020 1295520791 /nfs/dbraw/zinc/52/07/91/1295520791.db2.gz ADOBDXSQSOTQGA-UHFFFAOYSA-N 0 1 325.361 3.039 20 10 EGCDMN CCN(Cc1cc(C(=O)OC)c(C)o1)Cc1ccc(N(C)C)cc1 ZINC000215628900 1296117403 /nfs/dbraw/zinc/11/74/03/1296117403.db2.gz HUHIBDHXDJELBC-UHFFFAOYSA-N 0 1 330.428 3.463 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1[O-])[C@H](C)N1CCOCC1 ZINC000248481254 1296416496 /nfs/dbraw/zinc/41/64/96/1296416496.db2.gz BAPLZOZNPVKDBX-PMPSAXMXSA-N 0 1 328.456 3.305 20 10 EGCDMN CCCOc1ccc(C[NH2+]Cc2nc(CC(=O)[O-])cs2)cc1C ZINC000871881119 1296589707 /nfs/dbraw/zinc/58/97/07/1296589707.db2.gz JDIKAKYWYIOEAO-UHFFFAOYSA-N 0 1 334.441 3.157 20 10 EGCDMN COc1ccc(CN[C@H]2COc3ccc(C)cc32)cc1Cn1cccn1 ZINC000873076809 1297261346 /nfs/dbraw/zinc/26/13/46/1297261346.db2.gz BINJLNNQNNCEBZ-IBGZPJMESA-N 0 1 349.434 3.472 20 10 EGCDMN CCCOc1ccc(CNC[C@@H](n2cncn2)C(F)(F)F)cc1C ZINC000873150458 1297301943 /nfs/dbraw/zinc/30/19/43/1297301943.db2.gz KOKKGKJSVVTMCL-OAHLLOKOSA-N 0 1 342.365 3.269 20 10 EGCDMN CC[C@H]([NH2+]CCN1CC=CCC1)c1cc(Br)ccc1[O-] ZINC000392322239 1297655020 /nfs/dbraw/zinc/65/50/20/1297655020.db2.gz VVLJYGSXNMDKFY-HNNXBMFYSA-N 0 1 339.277 3.457 20 10 EGCDMN CN1[C@@H]2CC[C@H]1CC([N@H+](C)Cc1cccc(Br)c1[O-])C2 ZINC000394155047 1297675634 /nfs/dbraw/zinc/67/56/34/1297675634.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 0 1 339.277 3.212 20 10 EGCDMN CN1[C@@H]2CC[C@H]1CC([N@@H+](C)Cc1cccc(Br)c1[O-])C2 ZINC000394155047 1297675645 /nfs/dbraw/zinc/67/56/45/1297675645.db2.gz LRUCZUVWIWDCDT-PBWFPOADSA-N 0 1 339.277 3.212 20 10 EGCDMN CC(=O)c1cc(Cl)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)c1[O-] ZINC000394668898 1297678887 /nfs/dbraw/zinc/67/88/87/1297678887.db2.gz WAHVKFKNVWMJIZ-INIZCTEOSA-N 0 1 336.863 3.308 20 10 EGCDMN CC[C@H]([NH2+]C1CCN(OC)CC1)c1cc(Br)ccc1[O-] ZINC000692132749 1298140979 /nfs/dbraw/zinc/14/09/79/1298140979.db2.gz DCKVMDUZADEISO-AWEZNQCLSA-N 0 1 343.265 3.221 20 10 EGCDMN CO[C@H](C[NH2+]Cc1cc(Br)ccc1[O-])C1CCCC1 ZINC000692964020 1298147850 /nfs/dbraw/zinc/14/78/50/1298147850.db2.gz DNGRIUDSLBGJDK-OAHLLOKOSA-N 0 1 328.250 3.450 20 10 EGCDMN CO[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000713471339 1298271545 /nfs/dbraw/zinc/27/15/45/1298271545.db2.gz TXKJMYGQFOGALO-KBPBESRZSA-N 0 1 326.234 3.202 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC000876652646 1298898538 /nfs/dbraw/zinc/89/85/38/1298898538.db2.gz GHIZDQODICVQOA-LLVKDONJSA-N 0 1 342.386 3.017 20 10 EGCDMN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000877053673 1299134676 /nfs/dbraw/zinc/13/46/76/1299134676.db2.gz VVWHPEDNPDXDSZ-QGZVFWFLSA-N 0 1 331.485 3.345 20 10 EGCDMN C[C@@H]1CC[C@@H](C)N1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000752088511 1299692718 /nfs/dbraw/zinc/69/27/18/1299692718.db2.gz LFDTVBLIRWGVMY-HZPDHXFCSA-N 0 1 342.439 3.387 20 10 EGCDMN COC(=O)COc1ccccc1[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000753659509 1300001042 /nfs/dbraw/zinc/00/10/42/1300001042.db2.gz UBPYILQSZLKTPK-CQSZACIVSA-N 0 1 341.407 3.024 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1cc(Br)cc(F)c1[O-] ZINC000756505994 1300509127 /nfs/dbraw/zinc/50/91/27/1300509127.db2.gz ZJQGSLZVJWNXMR-VHSXEESVSA-N 0 1 333.245 3.285 20 10 EGCDMN C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1ccc(Br)cc1[O-] ZINC000756634603 1300537818 /nfs/dbraw/zinc/53/78/18/1300537818.db2.gz MIBLRSRRQXJITD-CKQAKLJMSA-N 0 1 328.250 3.499 20 10 EGCDMN C[C@@H]([NH2+][C@@H](CO)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756776843 1300565117 /nfs/dbraw/zinc/56/51/17/1300565117.db2.gz SIKIFYYGAWLSGV-VXNVDRBHSA-N 0 1 342.155 3.119 20 10 EGCDMN COC(=O)[C@@H](C)C[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CC1 ZINC000761217646 1301422959 /nfs/dbraw/zinc/42/29/59/1301422959.db2.gz WUBJMZGAJSRGQD-VIFPVBQESA-N 0 1 332.227 3.473 20 10 EGCDMN Cn1cccc1[C@H]1CCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000768199401 1302854125 /nfs/dbraw/zinc/85/41/25/1302854125.db2.gz VWRJZEPDDWBUBW-HXUWFJFHSA-N 0 1 343.446 3.338 20 10 EGCDMN CC(C)COC(=O)N1CCCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000769224661 1303075892 /nfs/dbraw/zinc/07/58/92/1303075892.db2.gz AJRLTTHNQSXPDW-UHFFFAOYSA-N 0 1 333.476 3.053 20 10 EGCDMN Cc1ccc(N[C@@H]2CCC[N@H+](Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000769246715 1303080642 /nfs/dbraw/zinc/08/06/42/1303080642.db2.gz JRTRWLYVENLVDY-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN Cc1ccc(N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3[O-])C2)nn1 ZINC000769246715 1303080648 /nfs/dbraw/zinc/08/06/48/1303080648.db2.gz JRTRWLYVENLVDY-OAHLLOKOSA-N 0 1 332.835 3.221 20 10 EGCDMN CC[N@H+]1C[C@H](C)N(Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000769467040 1303117855 /nfs/dbraw/zinc/11/78/55/1303117855.db2.gz RCWVMJADBBYBHV-RYUDHWBXSA-N 0 1 327.266 3.069 20 10 EGCDMN COc1ccc(O)c([C@@H](C)NCc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000769788605 1303175049 /nfs/dbraw/zinc/17/50/49/1303175049.db2.gz XQWSTOFPWQJSBF-SNVBAGLBSA-N 0 1 342.355 3.036 20 10 EGCDMN COc1ccc(N2CCN(Cc3[nH]nc4ccccc43)CC2)cc1F ZINC000770308049 1303246775 /nfs/dbraw/zinc/24/67/75/1303246775.db2.gz XXURJFUJXYFFLC-UHFFFAOYSA-N 0 1 340.402 3.033 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773694028 1303725133 /nfs/dbraw/zinc/72/51/33/1303725133.db2.gz JHOLVUXXZFSMGG-LSDHHAIUSA-N 0 1 335.419 3.373 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)c1[O-] ZINC000773694028 1303725134 /nfs/dbraw/zinc/72/51/34/1303725134.db2.gz JHOLVUXXZFSMGG-LSDHHAIUSA-N 0 1 335.419 3.373 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055207 1303896323 /nfs/dbraw/zinc/89/63/23/1303896323.db2.gz QWYSFPJXBGSRBD-MWLCHTKSSA-N 0 1 348.321 3.472 20 10 EGCDMN COc1c([O-])c(C[N@H+]2C[C@H](C(F)(F)F)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000775055207 1303896327 /nfs/dbraw/zinc/89/63/27/1303896327.db2.gz QWYSFPJXBGSRBD-MWLCHTKSSA-N 0 1 348.321 3.472 20 10 EGCDMN C[C@@H](NCc1cnc(Cl)s1)c1ccc(N2CCOCC2)cc1 ZINC000775259686 1303932422 /nfs/dbraw/zinc/93/24/22/1303932422.db2.gz KGQGRZTWPFFACB-GFCCVEGCSA-N 0 1 337.876 3.484 20 10 EGCDMN C[C@@H](NC(=O)c1sccc1CN(C)C)c1ccc(N(C)C)cc1 ZINC000775411240 1303959439 /nfs/dbraw/zinc/95/94/39/1303959439.db2.gz PQQYVZMVUBGBIU-CYBMUJFWSA-N 0 1 331.485 3.367 20 10 EGCDMN CC[C@H](Nc1cnn(CCO)c1)c1ccc(Cl)c(Cl)c1O ZINC000775540834 1303981062 /nfs/dbraw/zinc/98/10/62/1303981062.db2.gz ODKBQPWWIGBINF-LBPRGKRZSA-N 0 1 330.215 3.451 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000775645161 1304001833 /nfs/dbraw/zinc/00/18/33/1304001833.db2.gz XFSQJSHINLHSGF-UHFFFAOYSA-N 0 1 336.794 3.213 20 10 EGCDMN CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(F)c2O)CC1 ZINC000775645225 1304002233 /nfs/dbraw/zinc/00/22/33/1304002233.db2.gz GBHLQUNUXMHVKQ-UHFFFAOYSA-N 0 1 344.814 3.237 20 10 EGCDMN C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000777218550 1304270047 /nfs/dbraw/zinc/27/00/47/1304270047.db2.gz ASXJDILZNWEDPW-VIFPVBQESA-N 0 1 333.259 3.434 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(F)c1[O-] ZINC000779003208 1304516970 /nfs/dbraw/zinc/51/69/70/1304516970.db2.gz SQTLCLBLQRTZGG-AWEZNQCLSA-N 0 1 338.423 3.411 20 10 EGCDMN COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1F ZINC000780573380 1304710868 /nfs/dbraw/zinc/71/08/68/1304710868.db2.gz ZLDRVIXHWZCEMV-UHFFFAOYSA-N 0 1 329.419 3.198 20 10 EGCDMN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)co1 ZINC000780934757 1304753408 /nfs/dbraw/zinc/75/34/08/1304753408.db2.gz ABLDLEJBWYQRIV-INIZCTEOSA-N 0 1 348.830 3.341 20 10 EGCDMN CC[NH+](CC)[C@H]1CCN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781897186 1304887492 /nfs/dbraw/zinc/88/74/92/1304887492.db2.gz PLOFAYCHYYVYIT-AWEZNQCLSA-N 0 1 341.293 3.379 20 10 EGCDMN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)cc(F)c1[O-] ZINC000894033561 1306184478 /nfs/dbraw/zinc/18/44/78/1306184478.db2.gz IRJPJTQPGNQIIO-CABZTGNLSA-N 0 1 332.213 3.029 20 10 EGCDMN Cc1cc2n[nH]cc2cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000790997442 1308906578 /nfs/dbraw/zinc/90/65/78/1308906578.db2.gz OVHYGIVJBMOTFK-UHFFFAOYSA-N 0 1 335.455 3.235 20 10 EGCDMN [O-]c1c(F)cc(F)cc1C[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000894815623 1309086336 /nfs/dbraw/zinc/08/63/36/1309086336.db2.gz RQLPOVGYAXJTQL-FQEVSTJZSA-N 0 1 347.405 3.488 20 10 EGCDMN CCOc1ccc(CN(C)[C@H](c2nnc[nH]2)c2ccccc2)c(O)c1 ZINC000894960557 1309135825 /nfs/dbraw/zinc/13/58/25/1309135825.db2.gz NQXQLQYDZMVJFG-SFHVURJKSA-N 0 1 338.411 3.130 20 10 EGCDMN CN(Cc1cccs1)c1ccc(CN2CCCC[C@@H]2C(N)=O)cc1 ZINC000823386971 1320173920 /nfs/dbraw/zinc/17/39/20/1320173920.db2.gz RNGBPGSKUVQZQB-GOSISDBHSA-N 0 1 343.496 3.224 20 10 EGCDMN CS(=O)(=O)CC1CCC([NH2+]Cc2ccc3ccccc3c2[O-])CC1 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CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000813684028 1318619276 /nfs/dbraw/zinc/61/92/76/1318619276.db2.gz JFBXASWUQGIMTB-CYBMUJFWSA-N 0 1 331.243 3.190 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc(Cl)ccc1[O-] ZINC000858537904 1328791493 /nfs/dbraw/zinc/79/14/93/1328791493.db2.gz SELXGMMDLZUJTB-VMDBXTETSA-N 0 1 334.803 3.327 20 10 EGCDMN Oc1c(CN2CCN(c3ncccc3F)CC2)ccc2ccccc21 ZINC000816515975 1319170571 /nfs/dbraw/zinc/17/05/71/1319170571.db2.gz QTEBIZISWTUOBH-UHFFFAOYSA-N 0 1 337.398 3.402 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC(C3(C)OCCO3)CC2)cc1Cl ZINC000824789039 1320285746 /nfs/dbraw/zinc/28/57/46/1320285746.db2.gz KYAARLIRVYIIMP-UHFFFAOYSA-N 0 1 325.836 3.329 20 10 EGCDMN Oc1ccc(Cl)c(F)c1CN1CCN(c2ccnc(F)c2)CC1 ZINC000824804907 1320286845 /nfs/dbraw/zinc/28/68/45/1320286845.db2.gz BJRLCQYHLQQNGN-UHFFFAOYSA-N 0 1 339.773 3.041 20 10 EGCDMN COc1cc(CN(C)C[C@@H](O)C(F)(F)F)c(O)c(C(C)(C)C)c1 ZINC000825928160 1320372653 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C[C@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1[O-] ZINC000840891195 1321171853 /nfs/dbraw/zinc/17/18/53/1321171853.db2.gz UXYWGMPYRWHEJM-AWEZNQCLSA-N 0 1 347.480 3.411 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN1CCNC(=O)C[C@H]1c1ccccc1 ZINC000840910535 1321175337 /nfs/dbraw/zinc/17/53/37/1321175337.db2.gz IQLBLZRLOPETBS-FQEVSTJZSA-N 0 1 337.467 3.124 20 10 EGCDMN Cc1csc(N2CCN(Cc3ccc(N(C)C)cc3C)CC2)n1 ZINC000840911201 1321175863 /nfs/dbraw/zinc/17/58/63/1321175863.db2.gz XACUSUVGQVULBR-UHFFFAOYSA-N 0 1 330.501 3.148 20 10 EGCDMN COCCOc1ncccc1C[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841744639 1321305604 /nfs/dbraw/zinc/30/56/04/1321305604.db2.gz JKTWGHKXQUAPFN-GFCCVEGCSA-N 0 1 336.819 3.317 20 10 EGCDMN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000841750114 1321306822 /nfs/dbraw/zinc/30/68/22/1321306822.db2.gz UOHUTDXAQOZICZ-LBPRGKRZSA-N 0 1 348.830 3.135 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000844172942 1321575553 /nfs/dbraw/zinc/57/55/53/1321575553.db2.gz 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326.234 3.157 20 10 EGCDMN CO[C@H]1CC[N@@H+](Cc2c(O)cccc2Br)CC1(C)C ZINC000862385759 1329481207 /nfs/dbraw/zinc/48/12/07/1329481207.db2.gz DHPQYXNPHHMXJR-AWEZNQCLSA-N 0 1 328.250 3.402 20 10 EGCDMN CO[C@H]1CC[N@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC000862385759 1329481209 /nfs/dbraw/zinc/48/12/09/1329481209.db2.gz DHPQYXNPHHMXJR-AWEZNQCLSA-N 0 1 328.250 3.402 20 10 EGCDMN CO[C@H]1CC[N@@H+](Cc2c([O-])cccc2Br)CC1(C)C ZINC000862385759 1329481210 /nfs/dbraw/zinc/48/12/10/1329481210.db2.gz DHPQYXNPHHMXJR-AWEZNQCLSA-N 0 1 328.250 3.402 20 10 EGCDMN C[C@H]1[C@H]([NH+]2CCCC2)CCN1Cc1c([O-])cccc1Br ZINC000862367176 1329478296 /nfs/dbraw/zinc/47/82/96/1329478296.db2.gz YKFSDYGDIXNGPP-SWLSCSKDSA-N 0 1 339.277 3.213 20 10 EGCDMN COC(=O)[C@H]1C[N@@H+](Cc2cccc(Cl)c2[O-])Cc2ccccc21 ZINC000862538275 1329493783 /nfs/dbraw/zinc/49/37/83/1329493783.db2.gz PFGVDPIIMKHTQQ-HNNXBMFYSA-N 0 1 331.799 3.318 20 10 EGCDMN CCC(O)(CC)C[N@@H+](C)Cc1cc(C)cc(Br)c1[O-] ZINC000862539871 1329494328 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C[S@](=O)C[C@H](NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC001338005205 1389513829 /nfs/dbraw/zinc/51/38/29/1389513829.db2.gz ORMVAKXKTVVDMD-RDPSFJRHSA-N 0 1 342.508 3.496 20 10 EGCDMN CC(C)[C@H](O)C(C)(C)C[NH2+]Cc1c([O-])cccc1Br ZINC001331271558 1389679412 /nfs/dbraw/zinc/67/94/12/1389679412.db2.gz KVBZUZWZNPFHOP-AWEZNQCLSA-N 0 1 330.266 3.287 20 10 EGCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Br ZINC001335157953 1390649912 /nfs/dbraw/zinc/64/99/12/1390649912.db2.gz WOKQWEXNHZGYMG-SNVBAGLBSA-N 0 1 344.249 3.365 20 10 EGCDMN Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000826268850 1428655652 /nfs/dbraw/zinc/65/56/52/1428655652.db2.gz PYMMWHOECXYNLM-AWEZNQCLSA-N 0 1 336.443 3.092 20 10 EGCDMN CC[C@H]([NH2+]Cc1cccc(-c2nn[n-]n2)c1)c1ccc(N(C)C)cc1 ZINC000820926346 1423423275 /nfs/dbraw/zinc/42/32/75/1423423275.db2.gz RJPNRLOYHKQBCQ-SFHVURJKSA-N 0 1 336.443 3.174 20 10 EGCDMN CN(Cc1cccs1)c1ccc(C[N@H+]2CCC[C@H]2C(=O)[O-])cc1 ZINC000840995496 979295663 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Cn1c2ccc(F)cc2c(C[N@@H+](C)Cc2ccccc2O)c1C(=O)[O-] ZINC001598530632 992776114 /nfs/dbraw/zinc/77/61/14/992776114.db2.gz OYBDJXODIGFXRV-UHFFFAOYSA-N 0 1 342.370 3.353 20 10 EGCDMN COc1ccc(N2CCC[N@H+]([C@H](C(=O)[O-])c3ccsc3)CC2)cc1 ZINC001599586972 993626220 /nfs/dbraw/zinc/62/62/20/993626220.db2.gz ZJSSHNVFZZWTEJ-KRWDZBQOSA-N 0 1 346.452 3.095 20 10 EGCDMN Cc1nccnc1CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000295036326 455836390 /nfs/dbraw/zinc/83/63/90/455836390.db2.gz OZYQWRGECXFFQC-JTQLQIEISA-N 0 1 336.233 3.146 20 10 EGCDMN CC[C@H]([NH2+]C[C@@H](O)CN1CCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287770024 456077417 /nfs/dbraw/zinc/07/74/17/456077417.db2.gz RLIQJGLEZDWWNM-DOMZBBRYSA-N 0 1 347.286 3.196 20 10 EGCDMN C[C@H]([NH2+]Cc1cc(Br)ccc1[O-])[C@H](O)c1ccccc1 ZINC000288587458 456100676 /nfs/dbraw/zinc/10/06/76/456100676.db2.gz OJEFRCVESRDOOQ-ZBEGNZNMSA-N 0 1 336.229 3.366 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000121165594 454400711 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CC[C@@H]([NH2+]CCSCCCO)c1cc(Br)ccc1[O-] ZINC000155713352 455034872 /nfs/dbraw/zinc/03/48/72/455034872.db2.gz ZXILAHLXWRKAAI-CYBMUJFWSA-N 0 1 348.306 3.311 20 10 EGCDMN COc1cccc(CNCc2c(F)cccc2N2CCCC2)c1O ZINC000265011454 455299141 /nfs/dbraw/zinc/29/91/41/455299141.db2.gz AODQUQCYTXNXRR-UHFFFAOYSA-N 0 1 330.403 3.430 20 10 EGCDMN C[C@](O)(C[NH2+]Cc1cc(Br)ccc1[O-])c1ccccc1 ZINC000265126200 455300921 /nfs/dbraw/zinc/30/09/21/455300921.db2.gz HEIXSMIJLONFEK-INIZCTEOSA-N 0 1 336.229 3.152 20 10 EGCDMN Cc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(O)c1 ZINC000185655158 455590595 /nfs/dbraw/zinc/59/05/95/455590595.db2.gz VJKPYRKJOBBAGV-HNNXBMFYSA-N 0 1 340.471 3.427 20 10 EGCDMN Cc1cc(C(=O)N[C@H]2CCCc3cn[nH]c32)c(C)n1-c1ccccn1 ZINC000269038130 455770912 /nfs/dbraw/zinc/77/09/12/455770912.db2.gz XWONLLUYBIUCGK-INIZCTEOSA-N 0 1 335.411 3.020 20 10 EGCDMN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCc2cn[nH]c21 ZINC000269040243 455772157 /nfs/dbraw/zinc/77/21/57/455772157.db2.gz QCHMBSXFFNLRAS-OAHLLOKOSA-N 0 1 328.416 3.115 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)c1[O-] ZINC000285327475 455823439 /nfs/dbraw/zinc/82/34/39/455823439.db2.gz XGSWJQGKNJLUDB-JSGCOSHPSA-N 0 1 326.780 3.097 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)c1[O-] ZINC000279271952 455861161 /nfs/dbraw/zinc/86/11/61/455861161.db2.gz NLEJLZGMUSKBSG-QGTPRVQTSA-N 0 1 333.403 3.171 20 10 EGCDMN CCn1cc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000295866605 455861720 /nfs/dbraw/zinc/86/17/20/455861720.db2.gz FXYBHTKUSMZFRD-GJZGRUSLSA-N 0 1 346.450 3.291 20 10 EGCDMN C[C@@H]1OCC[C@]12CN(Cc1ccc(N3CCCCC3)cc1)CCO2 ZINC000279577399 455868563 /nfs/dbraw/zinc/86/85/63/455868563.db2.gz BCBBYDRFULEIOA-PXNSSMCTSA-N 0 1 330.472 3.057 20 10 EGCDMN Cc1cc(Br)cc(CN[C@@H](CCO)c2ccco2)c1O ZINC000187529770 455921649 /nfs/dbraw/zinc/92/16/49/455921649.db2.gz KRIQGAHUKFAQME-ZDUSSCGKSA-N 0 1 340.217 3.269 20 10 EGCDMN CCN1CCN(c2ccc(CN[C@H](C)c3cscn3)cc2F)CC1 ZINC000271114331 456130739 /nfs/dbraw/zinc/13/07/39/456130739.db2.gz IAZNMWRMIXOAHJ-CQSZACIVSA-N 0 1 348.491 3.275 20 10 EGCDMN CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(Br)ccc1O ZINC000274755633 456264182 /nfs/dbraw/zinc/26/41/82/456264182.db2.gz ITSWASMENTZEKY-HNNXBMFYSA-N 0 1 339.277 3.457 20 10 EGCDMN COc1ccc(F)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000275043445 456269192 /nfs/dbraw/zinc/26/91/92/456269192.db2.gz IBVZXBRVUBPFOB-UHFFFAOYSA-N 0 1 348.393 3.100 20 10 EGCDMN CC(=O)NCCN(Cc1ccsc1)Cc1cc(C)c(C)cc1O ZINC000282279120 456465076 /nfs/dbraw/zinc/46/50/76/456465076.db2.gz URDKOOYDJWLSCU-UHFFFAOYSA-N 0 1 332.469 3.209 20 10 EGCDMN CC(C)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000298692120 456518071 /nfs/dbraw/zinc/51/80/71/456518071.db2.gz BZKVJUNSONGOQH-UHFFFAOYSA-N 0 1 326.444 3.404 20 10 EGCDMN Cc1noc(C2(C)CCN(Cc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000374734463 457696338 /nfs/dbraw/zinc/69/63/38/457696338.db2.gz OBMPHCPWAFHNRT-UHFFFAOYSA-N 0 1 332.423 3.137 20 10 EGCDMN Cc1nnc(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)[nH]1 ZINC000728703201 574767568 /nfs/dbraw/zinc/76/75/68/574767568.db2.gz KFCJIPFUNYYIQS-UHFFFAOYSA-N 0 1 329.791 3.426 20 10 EGCDMN Cc1n[nH]c(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)n1 ZINC000728703201 574767569 /nfs/dbraw/zinc/76/75/69/574767569.db2.gz KFCJIPFUNYYIQS-UHFFFAOYSA-N 0 1 329.791 3.426 20 10 EGCDMN CCN(C)[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000734471294 575496719 /nfs/dbraw/zinc/49/67/19/575496719.db2.gz LQMNQVNGOKHVQJ-HXUWFJFHSA-N 0 1 339.483 3.370 20 10 EGCDMN CC(C)(C)c1cc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000736295443 575928433 /nfs/dbraw/zinc/92/84/33/575928433.db2.gz YVSNIUGCPWMWIH-INIZCTEOSA-N 0 1 349.471 3.273 20 10 EGCDMN CC(C)(C)c1cc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC000736295443 575928434 /nfs/dbraw/zinc/92/84/34/575928434.db2.gz YVSNIUGCPWMWIH-INIZCTEOSA-N 0 1 349.471 3.273 20 10 EGCDMN CCN(CC)c1ccc(CN(C)CC(=O)N2CCCCCC2)cc1 ZINC000741676420 576710484 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[O-]c1cc(Br)ccc1C[NH2+][C@@H](CO)C1CCCCC1 ZINC000691487596 1298134408 /nfs/dbraw/zinc/13/44/08/1298134408.db2.gz GSYKXQILTUOWBM-AWEZNQCLSA-N 0 1 328.250 3.186 20 10 EGCDMN CC(C)[C@H]1C[N@H+](Cc2ccc(Br)cc2[O-])CCCO1 ZINC000691678203 1298135884 /nfs/dbraw/zinc/13/58/84/1298135884.db2.gz OLQDVTVMIXGPBF-OAHLLOKOSA-N 0 1 328.250 3.402 20 10 EGCDMN CC(C)[C@H]1C[N@@H+](Cc2ccc(Br)cc2[O-])CCCO1 ZINC000691678203 1298135892 /nfs/dbraw/zinc/13/58/92/1298135892.db2.gz OLQDVTVMIXGPBF-OAHLLOKOSA-N 0 1 328.250 3.402 20 10 EGCDMN Cc1cc(CN(C)C[C@@H](O)C(F)(F)F)ccc1N1CCCCC1 ZINC000828625174 1292484548 /nfs/dbraw/zinc/48/45/48/1292484548.db2.gz ZOJIHGLJCFISHF-MRXNPFEDSA-N 0 1 330.394 3.340 20 10 EGCDMN CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091892469 1292843787 /nfs/dbraw/zinc/84/37/87/1292843787.db2.gz ZLLVTPNORDFNIU-KGLIPLIRSA-N 0 1 339.823 3.012 20 10 EGCDMN CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091892469 1292843796 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338.249 3.172 20 10 EGCDMN CC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)c1cc(Br)ccc1[O-] ZINC000160087192 1294257770 /nfs/dbraw/zinc/25/77/70/1294257770.db2.gz ACGKWNFAIRFLGJ-HIFRSBDPSA-N 0 1 344.249 3.001 20 10 EGCDMN COc1ccc(C[NH2+]Cc2cc(Br)ccc2[O-])cc1O ZINC000171134655 1294395262 /nfs/dbraw/zinc/39/52/62/1294395262.db2.gz OHSIXMXFTOVWGM-UHFFFAOYSA-N 0 1 338.201 3.159 20 10 EGCDMN COc1ccccc1CC[NH2+]Cc1cc(Br)ccc1[O-] ZINC000227434495 1296143805 /nfs/dbraw/zinc/14/38/05/1296143805.db2.gz PYBYCQHBJGZEED-UHFFFAOYSA-N 0 1 336.229 3.496 20 10 EGCDMN C[C@@](CO)([NH2+]Cc1c([O-])cccc1Br)c1ccccc1 ZINC000706828387 1298223663 /nfs/dbraw/zinc/22/36/63/1298223663.db2.gz BCUSHLXYCZRWDE-INIZCTEOSA-N 0 1 336.229 3.152 20 10 EGCDMN C[C@@](CO)(NCc1c(O)cccc1Br)c1ccccc1 ZINC000706828387 1298223672 /nfs/dbraw/zinc/22/36/72/1298223672.db2.gz BCUSHLXYCZRWDE-INIZCTEOSA-N 0 1 336.229 3.152 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2Cc1c([O-])cccc1Br ZINC000707130996 1298225913 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CCC[N@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000821109926 1427549858 /nfs/dbraw/zinc/54/98/58/1427549858.db2.gz SMYYZEDNLLTVEQ-UHFFFAOYSA-N 0 1 341.390 3.124 20 10 EGCDMN CCC[N@@H+](Cc1ccc(F)c(-c2nn[n-]n2)c1)Cc1ccccc1O ZINC000821109926 1427549865 /nfs/dbraw/zinc/54/98/65/1427549865.db2.gz SMYYZEDNLLTVEQ-UHFFFAOYSA-N 0 1 341.390 3.124 20 10 EGCDMN COc1cc(Cl)cc(C[N@H+]2CCC[C@@H](CCC(=O)[O-])C2)c1O ZINC000317650148 950911682 /nfs/dbraw/zinc/91/16/82/950911682.db2.gz RSZYAELFRSSGID-NSHDSACASA-N 0 1 327.808 3.131 20 10 EGCDMN O=C([O-])[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC001595164701 952204701 /nfs/dbraw/zinc/20/47/01/952204701.db2.gz BONQNBOUUGPMQM-QGZVFWFLSA-N 0 1 341.407 3.268 20 10 EGCDMN C[N@@H+](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(C)(C)CC(=O)[O-] ZINC001333135841 961650882 /nfs/dbraw/zinc/65/08/82/961650882.db2.gz DXZJGAMIFPOKJM-UHFFFAOYSA-N 0 1 349.431 3.270 20 10 EGCDMN CC(C)c1ccc(O)c(C[N@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)c1 ZINC001591974489 976589546 /nfs/dbraw/zinc/58/95/46/976589546.db2.gz ZFFHWQKNNVDRNP-HXUWFJFHSA-N 0 1 347.455 3.097 20 10 EGCDMN CC[C@H](C)C[C@@H]([NH2+]Cc1cccc(Br)c1O)C(=O)[O-] ZINC001594953299 982678653 /nfs/dbraw/zinc/67/86/53/982678653.db2.gz NCZCHPIFEIQZMZ-JOYOIKCWSA-N 0 1 330.222 3.134 20 10 EGCDMN CCOc1ccc(O)c(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC001597130494 986848059 /nfs/dbraw/zinc/84/80/59/986848059.db2.gz PSLFVRWSKFYPLT-MSOLQXFVSA-N 0 1 341.407 3.091 20 10 EGCDMN C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001594169033 998651793 /nfs/dbraw/zinc/65/17/93/998651793.db2.gz ZGZJGCWQPUEHFQ-KSSFIOAISA-N 0 1 341.407 3.266 20 10 EGCDMN COc1cccc(CN(C)Cc2ccc(Br)o2)c1O ZINC000130696172 454212409 /nfs/dbraw/zinc/21/24/09/454212409.db2.gz XAJRBOWMGKCTSO-UHFFFAOYSA-N 0 1 326.190 3.388 20 10 EGCDMN C[C@H](N[C@@H](CO)c1cnn(C)c1)c1ccc(N2CCCCCC2)cc1 ZINC000090885629 454348679 /nfs/dbraw/zinc/34/86/79/454348679.db2.gz GDQVXLCXGAXUKN-JXFKEZNVSA-N 0 1 342.487 3.185 20 10 EGCDMN CCN(Cc1ccccc1)C(=O)[C@H](C)N(C)Cc1ccccc1O ZINC000121143797 454397204 /nfs/dbraw/zinc/39/72/04/454397204.db2.gz PTMNKJLFALRBEP-INIZCTEOSA-N 0 1 326.440 3.261 20 10 EGCDMN COc1ccc(N2CCCN(Cc3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000092380865 454558640 /nfs/dbraw/zinc/55/86/40/454558640.db2.gz CTYGWJKZBYEQOS-UHFFFAOYSA-N 0 1 342.487 3.359 20 10 EGCDMN CC(C)C(=O)N1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123573460 454654129 /nfs/dbraw/zinc/65/41/29/454654129.db2.gz LPURIERHYBNEKD-UHFFFAOYSA-N 0 1 345.270 3.389 20 10 EGCDMN CC(C)C(=O)N1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000123573460 454654134 /nfs/dbraw/zinc/65/41/34/454654134.db2.gz LPURIERHYBNEKD-UHFFFAOYSA-N 0 1 345.270 3.389 20 10 EGCDMN C[C@@H](N[C@H](CO)c1ccccc1)c1ccc(N2CCOCC2)c(F)c1 ZINC000123660187 454662650 /nfs/dbraw/zinc/66/26/50/454662650.db2.gz DKTSDPMMEZGQQN-DNVCBOLYSA-N 0 1 344.430 3.047 20 10 EGCDMN C[N@@H+](CCc1nccs1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000093843838 454739586 /nfs/dbraw/zinc/73/95/86/454739586.db2.gz WPHCQSQIWRSOMZ-UHFFFAOYSA-N 0 1 327.793 3.085 20 10 EGCDMN CCc1cc2c(C[N@@H+](C)Cc3ccccc3O)cc(=O)oc2cc1O ZINC000109771296 454836010 /nfs/dbraw/zinc/83/60/10/454836010.db2.gz FLBSQWJFUJNXGU-UHFFFAOYSA-N 0 1 339.391 3.399 20 10 EGCDMN CCc1cc2c(C[N@H+](C)Cc3ccccc3O)cc(=O)oc2cc1[O-] ZINC000109771296 454836012 /nfs/dbraw/zinc/83/60/12/454836012.db2.gz FLBSQWJFUJNXGU-UHFFFAOYSA-N 0 1 339.391 3.399 20 10 EGCDMN CCc1cc2c(C[N@@H+](C)Cc3ccccc3O)cc(=O)oc2cc1[O-] ZINC000109771296 454836013 /nfs/dbraw/zinc/83/60/13/454836013.db2.gz FLBSQWJFUJNXGU-UHFFFAOYSA-N 0 1 339.391 3.399 20 10 EGCDMN CCN(CC(=O)Nc1cccc(OC)c1)Cc1cc(C)ccc1O ZINC000179603568 455061830 /nfs/dbraw/zinc/06/18/30/455061830.db2.gz MBGXBHLCNISSAX-UHFFFAOYSA-N 0 1 328.412 3.170 20 10 EGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(Br)ccc2O)C1 ZINC000190215367 455288758 /nfs/dbraw/zinc/28/87/58/455288758.db2.gz NYZCGEASEDOEIN-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CC[C@]1(CO)CCC[N@@H+](Cc2cc(Br)ccc2[O-])C1 ZINC000190215367 455288764 /nfs/dbraw/zinc/28/87/64/455288764.db2.gz NYZCGEASEDOEIN-HNNXBMFYSA-N 0 1 328.250 3.139 20 10 EGCDMN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Cl)cc1O ZINC000175426414 455447682 /nfs/dbraw/zinc/44/76/82/455447682.db2.gz VNPSCQBANALOJT-UHFFFAOYSA-N 0 1 332.787 3.151 20 10 EGCDMN Cc1n[nH]cc1CCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000184978221 455480081 /nfs/dbraw/zinc/48/00/81/455480081.db2.gz JVIWAYXFXSEGTH-LLVKDONJSA-N 0 1 338.249 3.470 20 10 EGCDMN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000185201123 455520451 /nfs/dbraw/zinc/52/04/51/455520451.db2.gz LDYGXZKFYPFIJQ-GFCCVEGCSA-N 0 1 348.830 3.135 20 10 EGCDMN C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cc(Br)ccc1[O-] ZINC000185531116 455574061 /nfs/dbraw/zinc/57/40/61/455574061.db2.gz LOFPERHWOCTTNL-GYSYKLTISA-N 0 1 328.250 3.356 20 10 EGCDMN CC[C@@H]([NH2+]Cc1cc(C)nn1C)c1cc(Br)ccc1[O-] ZINC000284267697 455659021 /nfs/dbraw/zinc/65/90/21/455659021.db2.gz JELDXXXUGWZWAX-CQSZACIVSA-N 0 1 338.249 3.438 20 10 EGCDMN CC(C)[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000271517920 455668170 /nfs/dbraw/zinc/66/81/70/455668170.db2.gz MRSLNKKZEFOFNW-DZGCQCFKSA-N 0 1 328.250 3.448 20 10 EGCDMN COC1CCN(c2ccc(CN3CCO[C@H]4CCC[C@H]43)cc2)CC1 ZINC000294805990 455828272 /nfs/dbraw/zinc/82/82/72/455828272.db2.gz COKPCJUSPFJQIW-UXHICEINSA-N 0 1 330.472 3.055 20 10 EGCDMN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1c(F)ccc(O)c1O ZINC000294910717 455832285 /nfs/dbraw/zinc/83/22/85/455832285.db2.gz SGJGVDPYFAVGBC-ZDUSSCGKSA-N 0 1 347.342 3.047 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000295600697 455855064 /nfs/dbraw/zinc/85/50/64/455855064.db2.gz XGHSYVQFNQDQTP-CQSZACIVSA-N 0 1 325.836 3.231 20 10 EGCDMN Cc1ccc(O)c(CN[C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1 ZINC000187514933 455919362 /nfs/dbraw/zinc/91/93/62/455919362.db2.gz ORXGDTRUDFLUJO-LJQANCHMSA-N 0 1 325.387 3.452 20 10 EGCDMN COc1ccc(N2CCN(CC[C@@H](O)c3ccccc3)CC2)cc1F ZINC000286193922 455997492 /nfs/dbraw/zinc/99/74/92/455997492.db2.gz AHSFOLGKRYQNCF-LJQANCHMSA-N 0 1 344.430 3.080 20 10 EGCDMN C[C@H]([NH2+]CC1([S@](C)=O)CCC1)c1cc(Br)ccc1[O-] ZINC000281110336 456137281 /nfs/dbraw/zinc/13/72/81/456137281.db2.gz RNUJZDOJCSAMQX-OVWNDWIMSA-N 0 1 346.290 3.107 20 10 EGCDMN Cc1nn(C(C)C)cc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000281407699 456225576 /nfs/dbraw/zinc/22/55/76/456225576.db2.gz PZQRIENIZMYLTJ-UHFFFAOYSA-N 0 1 346.450 3.038 20 10 EGCDMN COC[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000273431850 456230767 /nfs/dbraw/zinc/23/07/67/456230767.db2.gz DOKANWRKYDHTRO-KRWDZBQOSA-N 0 1 327.424 3.440 20 10 EGCDMN CCN(CC)c1ccc(CNCc2cnc([C@H](C)O)s2)cc1F ZINC000290406293 456319386 /nfs/dbraw/zinc/31/93/86/456319386.db2.gz PVFOTVMBPWMZNC-LBPRGKRZSA-N 0 1 337.464 3.472 20 10 EGCDMN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCCC3(CCOCC3)C2)c1[O-] ZINC000371325071 457866758 /nfs/dbraw/zinc/86/67/58/457866758.db2.gz BVDRKBVZDHWPLM-UHFFFAOYSA-N 0 1 340.807 3.346 20 10 EGCDMN Fc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000730817202 575023783 /nfs/dbraw/zinc/02/37/83/575023783.db2.gz OVBIICFGCUQKAM-UHFFFAOYSA-N 0 1 336.357 3.230 20 10 EGCDMN CCc1cc(CNC(=O)N(C)Cc2ccc(N(CC)CC)cc2)n[nH]1 ZINC000738479119 576329909 /nfs/dbraw/zinc/32/99/09/576329909.db2.gz KEFLPKQWODUKPL-UHFFFAOYSA-N 0 1 343.475 3.160 20 10 EGCDMN O=C([O-])CC[N@@H+](Cc1ccccc1)Cc1cc2c(cc1O)CCC2 ZINC000739723003 576502047 /nfs/dbraw/zinc/50/20/47/576502047.db2.gz ANPKDGBDGNZEMA-UHFFFAOYSA-N 0 1 325.408 3.358 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)CC(C)(C)CC)cc2F)CC1 ZINC000744505992 576830138 /nfs/dbraw/zinc/83/01/38/576830138.db2.gz KGEQBGONCCKSND-UHFFFAOYSA-N 0 1 349.494 3.410 20 10 EGCDMN O=C([O-])[C@]1(F)CC[N@H+](Cc2cc3oc4ccccc4c3cc2O)C1 ZINC000833175983 601372878 /nfs/dbraw/zinc/37/28/78/601372878.db2.gz VEJVTKPMABGWTR-SFHVURJKSA-N 0 1 329.327 3.290 20 10 EGCDMN O=C([O-])c1sccc1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000833347989 601825909 /nfs/dbraw/zinc/82/59/09/601825909.db2.gz YRWKSNHLAHHEAV-OAHLLOKOSA-N 0 1 347.436 3.333 20 10 EGCDMN OC[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000767426956 1302672416 /nfs/dbraw/zinc/67/24/16/1302672416.db2.gz WMCVVHWTBIZELC-MRXNPFEDSA-N 0 1 348.240 3.207 20 10 EGCDMN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000894004511 1306173277 /nfs/dbraw/zinc/17/32/77/1306173277.db2.gz SFPNDGIYXQFPSJ-SNVBAGLBSA-N 0 1 348.668 3.403 20 10 EGCDMN Cc1cnc(CC[NH2+][C@H](C)c2ccc(Br)cc2[O-])cn1 ZINC000834908075 1293172921 /nfs/dbraw/zinc/17/29/21/1293172921.db2.gz GSDCRWQQAGIITF-LLVKDONJSA-N 0 1 336.233 3.146 20 10 EGCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123864376 1293458778 /nfs/dbraw/zinc/45/87/78/1293458778.db2.gz CBWLYMBFPYRHAA-ZDUSSCGKSA-N 0 1 338.879 3.420 20 10 EGCDMN CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123864376 1293458780 /nfs/dbraw/zinc/45/87/80/1293458780.db2.gz CBWLYMBFPYRHAA-ZDUSSCGKSA-N 0 1 338.879 3.420 20 10 EGCDMN Fc1cc(CN2CCC[C@@H]2c2ccc[nH]2)ccc1N1CCOCC1 ZINC000127404803 1293562496 /nfs/dbraw/zinc/56/24/96/1293562496.db2.gz GQWBWSQFKSIJMN-LJQANCHMSA-N 0 1 329.419 3.328 20 10 EGCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175412663 1294555680 /nfs/dbraw/zinc/55/56/80/1294555680.db2.gz DCHHEYDDAQGVDV-CQSZACIVSA-N 0 1 337.427 3.320 20 10 EGCDMN CC[C@@H](NCc1ccc(N2CCSCC2)cc1)c1nccn1C ZINC000182495303 1295053298 /nfs/dbraw/zinc/05/32/98/1295053298.db2.gz FIGJJGKWHOWKQF-QGZVFWFLSA-N 0 1 330.501 3.214 20 10 EGCDMN Cc1cc([C@@H](C)NCC(=O)NCc2ccc(N(C)C)cc2)c(C)s1 ZINC000182756413 1295072191 /nfs/dbraw/zinc/07/21/91/1295072191.db2.gz PZZCFTDBVIUQBK-CQSZACIVSA-N 0 1 345.512 3.398 20 10 EGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1C ZINC000189423207 1295520256 /nfs/dbraw/zinc/52/02/56/1295520256.db2.gz PWGWBRAHDFVBCV-UHFFFAOYSA-N 0 1 325.361 3.039 20 10 EGCDMN Cc1nn[nH]c1C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000194453694 1295978029 /nfs/dbraw/zinc/97/80/29/1295978029.db2.gz KIEQCWZEECTPFQ-CQSZACIVSA-N 0 1 336.395 3.222 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245698765 1296321214 /nfs/dbraw/zinc/32/12/14/1296321214.db2.gz CTGWCLKIBUXBTB-SMDDNHRTSA-N 0 1 326.234 3.156 20 10 EGCDMN Cc1nonc1C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000872135645 1296760446 /nfs/dbraw/zinc/76/04/46/1296760446.db2.gz GTVXMVFMOSWZCI-ZCFIWIBFSA-N 0 1 346.612 3.350 20 10 EGCDMN CCCOc1ccc(CNCc2ccc(S(C)(=O)=O)cc2)cc1C ZINC000873022865 1297230641 /nfs/dbraw/zinc/23/06/41/1297230641.db2.gz FFEYNGPMZILMSL-UHFFFAOYSA-N 0 1 347.480 3.477 20 10 EGCDMN CC1(C)C[N@H+](Cc2c([O-])cccc2Br)[C@@H]2COC[C@@H]21 ZINC000707129727 1298225477 /nfs/dbraw/zinc/22/54/77/1298225477.db2.gz MUYRRRWQIOZWCH-WCQYABFASA-N 0 1 326.234 3.012 20 10 EGCDMN CC1(C)C[N@@H+](Cc2c([O-])cccc2Br)[C@@H]2COC[C@@H]21 ZINC000707129727 1298225484 /nfs/dbraw/zinc/22/54/84/1298225484.db2.gz MUYRRRWQIOZWCH-WCQYABFASA-N 0 1 326.234 3.012 20 10 EGCDMN C[N@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@H]1CCOC1 ZINC000708075913 1298233021 /nfs/dbraw/zinc/23/30/21/1298233021.db2.gz QJHAZBXEYABSTQ-SECBINFHSA-N 0 1 334.641 3.276 20 10 EGCDMN CO[C@@H]1C[C@H]([NH2+]Cc2c([O-])cccc2Br)C12CCC2 ZINC000713460023 1298269263 /nfs/dbraw/zinc/26/92/63/1298269263.db2.gz OVFSJTYANKZURT-UONOGXRCSA-N 0 1 326.234 3.202 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCN1CCc2ccccc21 ZINC000725848956 1298373568 /nfs/dbraw/zinc/37/35/68/1298373568.db2.gz DTAQOFKBBHEJTL-UHFFFAOYSA-N 0 1 347.256 3.307 20 10 EGCDMN Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1-c1cccc(C)c1 ZINC000749679253 1299253596 /nfs/dbraw/zinc/25/35/96/1299253596.db2.gz OANCHDCAIPXYJM-UHFFFAOYSA-N 0 1 326.425 3.496 20 10 EGCDMN CC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](CC)O1 ZINC000877594097 1299419044 /nfs/dbraw/zinc/41/90/44/1299419044.db2.gz BJKIJDJWCPHQLX-WOJBJXKFSA-N 0 1 332.488 3.037 20 10 EGCDMN CC[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@H](CC)O1 ZINC000877594095 1299419364 /nfs/dbraw/zinc/41/93/64/1299419364.db2.gz BJKIJDJWCPHQLX-BGYRXZFFSA-N 0 1 332.488 3.037 20 10 EGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000751598892 1299572459 /nfs/dbraw/zinc/57/24/59/1299572459.db2.gz LLPVIDCDNHOPFW-KRWDZBQOSA-N 0 1 342.439 3.100 20 10 EGCDMN CCCC[N@@H+](CC(=O)Nc1ccnn1CCC)Cc1ccccc1O ZINC000878564934 1300079929 /nfs/dbraw/zinc/07/99/29/1300079929.db2.gz GIJVDGITUXIFJH-UHFFFAOYSA-N 0 1 344.459 3.240 20 10 EGCDMN C[C@H](Cc1cnccn1)[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000756494299 1300506318 /nfs/dbraw/zinc/50/63/18/1300506318.db2.gz LIEAGYMBSLUYQW-MNOVXSKESA-N 0 1 336.233 3.227 20 10 EGCDMN C[C@H]([NH2+][C@H](CO)CC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000756776841 1300564995 /nfs/dbraw/zinc/56/49/95/1300564995.db2.gz SIKIFYYGAWLSGV-CBAPKCEASA-N 0 1 342.155 3.119 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000758547915 1300909109 /nfs/dbraw/zinc/90/91/09/1300909109.db2.gz ZGPLGISBWOCRQG-CYBMUJFWSA-N 0 1 334.213 3.117 20 10 EGCDMN CCN(CC)c1ccc(CN2CCN(C(=O)C3CC3)CC2(C)C)cc1 ZINC000761225300 1301424044 /nfs/dbraw/zinc/42/40/44/1301424044.db2.gz CGKZLUUDIMQLSR-UHFFFAOYSA-N 0 1 343.515 3.366 20 10 EGCDMN CCc1nc([C@@H](C)NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n[nH]1 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CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000811930871 1318291861 /nfs/dbraw/zinc/29/18/61/1318291861.db2.gz JFIQEKKOBGFLBH-JTQLQIEISA-N 0 1 348.274 3.227 20 10 EGCDMN O=C(CCn1cc(Cl)cn1)NCc1cc(Cl)cc(Cl)c1O ZINC000813684987 1318619407 /nfs/dbraw/zinc/61/94/07/1318619407.db2.gz ZYSCNINDLANRHK-UHFFFAOYSA-N 0 1 348.617 3.255 20 10 EGCDMN CCCc1nc(C)c(CNCc2ccc(N3CCOCC3)cc2)o1 ZINC000813792099 1318633227 /nfs/dbraw/zinc/63/32/27/1318633227.db2.gz JBZSEKTVKSNCKF-UHFFFAOYSA-N 0 1 329.444 3.062 20 10 EGCDMN C[C@@H]1CN(Cc2cc(Cl)c(F)cc2O)C[C@@H](C(F)(F)F)O1 ZINC000816516273 1319173404 /nfs/dbraw/zinc/17/34/04/1319173404.db2.gz ZROFWYSGWHXUPW-KRTXAFLBSA-N 0 1 327.705 3.336 20 10 EGCDMN [O-]c1c(C[NH2+]C[C@@H](O)COc2cccc(F)c2)ccc2ccccc12 ZINC000816538430 1319178420 /nfs/dbraw/zinc/17/84/20/1319178420.db2.gz RIXANWZXRJFBFD-QGZVFWFLSA-N 0 1 341.382 3.214 20 10 EGCDMN CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816551770 1319181064 /nfs/dbraw/zinc/18/10/64/1319181064.db2.gz OGVZHSPWWXZJLL-DOTOQJQBSA-N 0 1 326.440 3.282 20 10 EGCDMN [O-]c1c(C[NH2+]Cc2cccc(-n3cncn3)c2)ccc2ccccc21 ZINC000816552343 1319181919 /nfs/dbraw/zinc/18/19/19/1319181919.db2.gz JHTRJQWVZZWURV-UHFFFAOYSA-N 0 1 330.391 3.416 20 10 EGCDMN Oc1c(F)cc(Cl)cc1CNCc1ncn(-c2ccccc2)n1 ZINC000816664823 1319204872 /nfs/dbraw/zinc/20/48/72/1319204872.db2.gz GRSLBNPETYCDIQ-UHFFFAOYSA-N 0 1 332.766 3.055 20 10 EGCDMN [O-]c1cc(Br)ccc1CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000824632404 1320272750 /nfs/dbraw/zinc/27/27/50/1320272750.db2.gz HZXNTDZPRRMFJO-OAHLLOKOSA-N 0 1 339.277 3.215 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809451 1320286657 /nfs/dbraw/zinc/28/66/57/1320286657.db2.gz VFNZYLGOPQZSMH-CQSZACIVSA-N 0 1 336.863 3.188 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809451 1320286659 /nfs/dbraw/zinc/28/66/59/1320286659.db2.gz VFNZYLGOPQZSMH-CQSZACIVSA-N 0 1 336.863 3.188 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]CC(=O)N(C)Cc2ccccc2)cc1Cl ZINC000825127561 1320313041 /nfs/dbraw/zinc/31/30/41/1320313041.db2.gz YNHWEAHMQADHMF-UHFFFAOYSA-N 0 1 332.831 3.102 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000825173782 1320316259 /nfs/dbraw/zinc/31/62/59/1320316259.db2.gz RUQZQUXOYYCKAY-QGZVFWFLSA-N 0 1 344.842 3.245 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CC1(CCO)CCCC1 ZINC000825320558 1320327636 /nfs/dbraw/zinc/32/76/36/1320327636.db2.gz LMEXFFVKLMVPHK-UHFFFAOYSA-N 0 1 328.250 3.187 20 10 EGCDMN Cc1cc(O)c(CN2CCC[C@@H](OC(=O)N(C)C)C2)cc1Cl ZINC000826036317 1320380370 /nfs/dbraw/zinc/38/03/70/1320380370.db2.gz FTHZTUGDIWTSIU-CYBMUJFWSA-N 0 1 326.824 3.017 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCc3ccccc3NC2=O)cc1Cl ZINC000826534778 1320386408 /nfs/dbraw/zinc/38/64/08/1320386408.db2.gz JMLWRLSCSHXOCC-INIZCTEOSA-N 0 1 330.815 3.397 20 10 EGCDMN Cc1cc(Br)cc(CN2CC3(C2)CCCOC3)c1O ZINC000839137712 1320878785 /nfs/dbraw/zinc/87/87/85/1320878785.db2.gz IEHGNLKXOYZUAJ-UHFFFAOYSA-N 0 1 326.234 3.076 20 10 EGCDMN C[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000840757667 1321142186 /nfs/dbraw/zinc/14/21/86/1321142186.db2.gz BQCBMVOLGVXLEQ-ZDUSSCGKSA-N 0 1 333.382 3.047 20 10 EGCDMN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CCC1)c1ccc2ccccc2c1[O-] ZINC000840891197 1321171798 /nfs/dbraw/zinc/17/17/98/1321171798.db2.gz UXYWGMPYRWHEJM-CQSZACIVSA-N 0 1 347.480 3.411 20 10 EGCDMN COC(=O)C[C@](C)(NCc1ccc(N(C)C)cc1C)c1ccncc1 ZINC000840939373 1321181667 /nfs/dbraw/zinc/18/16/67/1321181667.db2.gz WYUZBDOFHMCDDJ-FQEVSTJZSA-N 0 1 341.455 3.024 20 10 EGCDMN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745198 1321305229 /nfs/dbraw/zinc/30/52/29/1321305229.db2.gz NNNVMQFCNHMIGM-CYBMUJFWSA-N 0 1 332.831 3.435 20 10 EGCDMN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841752333 1321306198 /nfs/dbraw/zinc/30/61/98/1321306198.db2.gz AAMSTNGZCWMAQE-LLVKDONJSA-N 0 1 331.865 3.054 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1[O-] ZINC000841764779 1321308969 /nfs/dbraw/zinc/30/89/69/1321308969.db2.gz ILKAOWQKHIHWJP-GXSJLCMTSA-N 0 1 349.219 3.145 20 10 EGCDMN Fc1cc(CN[C@H]2COCc3ccccc32)ccc1N1CCOCC1 ZINC000841891916 1321327622 /nfs/dbraw/zinc/32/76/22/1321327622.db2.gz WHHONNKFCDPKPH-IBGZPJMESA-N 0 1 342.414 3.023 20 10 EGCDMN CCC[N@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843423010 1321516669 /nfs/dbraw/zinc/51/66/69/1321516669.db2.gz UOCWUCQRYQVXFO-CQSZACIVSA-N 0 1 327.266 3.071 20 10 EGCDMN CCC[N@@H+](Cc1cc(Br)ccc1[O-])[C@@H]1CCN(C)C1 ZINC000843423010 1321516672 /nfs/dbraw/zinc/51/66/72/1321516672.db2.gz UOCWUCQRYQVXFO-CQSZACIVSA-N 0 1 327.266 3.071 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](N)c2ccc(C)cc2)cc1 ZINC000844167125 1321575420 /nfs/dbraw/zinc/57/54/20/1321575420.db2.gz QODIIOKBUXAZHP-FQEVSTJZSA-N 0 1 339.483 3.500 20 10 EGCDMN CC(C)O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000846015471 1321762822 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/nfs/dbraw/zinc/27/88/48/456278848.db2.gz LTBYEUJMJVICJY-MRXNPFEDSA-N 0 1 338.517 3.151 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@]2(CO)CCCc3ccccc32)c1[O-] ZINC000281852092 456340895 /nfs/dbraw/zinc/34/08/95/456340895.db2.gz ZGXRYRZLDZDRPC-FQEVSTJZSA-N 0 1 343.398 3.048 20 10 EGCDMN CC[C@H](N[C@H](C)c1ncnn1C)c1cc(Br)ccc1O ZINC000276718492 456559882 /nfs/dbraw/zinc/55/98/82/456559882.db2.gz XJVLDRFZVCBKHO-SKDRFNHKSA-N 0 1 339.237 3.085 20 10 EGCDMN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000283694814 456825445 /nfs/dbraw/zinc/82/54/45/456825445.db2.gz RJGFJEOKBPULSD-YJBOKZPZSA-N 0 1 345.487 3.187 20 10 EGCDMN C[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366478451 457821404 /nfs/dbraw/zinc/82/14/04/457821404.db2.gz PBXRCIGNYIIYSP-ZBEGNZNMSA-N 0 1 346.254 3.469 20 10 EGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000371685645 458033341 /nfs/dbraw/zinc/03/33/41/458033341.db2.gz NJJJPYOWYXXCBX-CQSZACIVSA-N 0 1 328.250 3.464 20 10 EGCDMN 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BCLYPZOYXGMNPZ-KRWDZBQOSA-N 0 1 345.439 3.180 20 10 EGCDMN CC(C)CO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000091964422 1292851178 /nfs/dbraw/zinc/85/11/78/1292851178.db2.gz UNDGPGBSLJYOBQ-CYBMUJFWSA-N 0 1 328.250 3.402 20 10 EGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000092506647 1292873118 /nfs/dbraw/zinc/87/31/18/1292873118.db2.gz BYLODJXWATVPLP-VBQJREDUSA-N 0 1 338.879 3.119 20 10 EGCDMN C[C@@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(Cl)ccc2[O-])C[C@H](C)O1 ZINC000092506647 1292873138 /nfs/dbraw/zinc/87/31/38/1292873138.db2.gz BYLODJXWATVPLP-VBQJREDUSA-N 0 1 338.879 3.119 20 10 EGCDMN CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(Br)c2[O-])C1 ZINC000093742262 1292930765 /nfs/dbraw/zinc/93/07/65/1292930765.db2.gz IAUXRHFZNBJAHX-CYBMUJFWSA-N 0 1 341.293 3.318 20 10 EGCDMN C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc2ccccc2c1 ZINC000111236259 1293101823 /nfs/dbraw/zinc/10/18/23/1293101823.db2.gz ONDAEWMTTQBXPB-IBGZPJMESA-N 0 1 337.419 3.417 20 10 EGCDMN 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[O-]c1ccc(Br)cc1C[NH2+][C@H](CCO)c1ccccc1 ZINC000077468277 454109083 /nfs/dbraw/zinc/10/90/83/454109083.db2.gz LLLZRULEYPEGDR-OAHLLOKOSA-N 0 1 336.229 3.368 20 10 EGCDMN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070316 454514119 /nfs/dbraw/zinc/51/41/19/454514119.db2.gz JMWFZIVCGZGOFR-LLVKDONJSA-N 0 1 341.242 3.203 20 10 EGCDMN CCN1CCN(c2ccc(CN[C@H](C)c3nccs3)cc2F)CC1 ZINC000093406130 454712246 /nfs/dbraw/zinc/71/22/46/454712246.db2.gz PMZFFNPIKGQUKI-CQSZACIVSA-N 0 1 348.491 3.275 20 10 EGCDMN COc1cccc(CN2CCO[C@@]3(CCc4ccccc43)C2)c1O ZINC000093638296 454724871 /nfs/dbraw/zinc/72/48/71/454724871.db2.gz DNEUKVLNJUBKNT-FQEVSTJZSA-N 0 1 325.408 3.075 20 10 EGCDMN C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1O)c1ccccc1 ZINC000109769539 454836102 /nfs/dbraw/zinc/83/61/02/454836102.db2.gz QKZYWSIVJULJKG-HOTGVXAUSA-N 0 1 326.440 3.132 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000113314893 454922235 /nfs/dbraw/zinc/92/22/35/454922235.db2.gz GCDHHWGYXMKZPL-UHFFFAOYSA-N 0 1 346.858 3.168 20 10 EGCDMN O=C1CCCN1Cc1ccc(C[NH2+]Cc2c([O-])cccc2Cl)cc1 ZINC000113325705 454922547 /nfs/dbraw/zinc/92/25/47/454922547.db2.gz CSJLTTCCMCUTNN-UHFFFAOYSA-N 0 1 344.842 3.458 20 10 EGCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1cccc(-c2nnc[nH]2)c1 ZINC000179320709 455032249 /nfs/dbraw/zinc/03/22/49/455032249.db2.gz MPYKRDAZPUARML-UHFFFAOYSA-N 0 1 347.422 3.002 20 10 EGCDMN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccccc1O ZINC000179576877 455060154 /nfs/dbraw/zinc/06/01/54/455060154.db2.gz IYTCDMZUMXHZRC-QGZVFWFLSA-N 0 1 340.423 3.312 20 10 EGCDMN COC(=O)c1ccc(CNCc2ccc(N3CCCCC3)cc2)o1 ZINC000265201794 455302245 /nfs/dbraw/zinc/30/22/45/455302245.db2.gz PXGRQJUDTLKNLA-UHFFFAOYSA-N 0 1 328.412 3.346 20 10 EGCDMN C[C@@H]([NH2+][C@@H](C)c1cc(Br)ccc1[O-])C(=O)NC(C)(C)C ZINC000185217768 455523174 /nfs/dbraw/zinc/52/31/74/455523174.db2.gz KVEDKCITGPOJQX-VHSXEESVSA-N 0 1 343.265 3.109 20 10 EGCDMN CC[N@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278147610 455770122 /nfs/dbraw/zinc/77/01/22/455770122.db2.gz BWGPPCFDQJXLJT-UHFFFAOYSA-N 0 1 346.383 3.340 20 10 EGCDMN CC[N@@H+](Cc1ccc(OC)cc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278147610 455770124 /nfs/dbraw/zinc/77/01/24/455770124.db2.gz BWGPPCFDQJXLJT-UHFFFAOYSA-N 0 1 346.383 3.340 20 10 EGCDMN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2ccccc2c1[O-] ZINC000278183080 455779902 /nfs/dbraw/zinc/77/99/02/455779902.db2.gz BPSYOEBPEQATKW-OAHLLOKOSA-N 0 1 326.440 3.061 20 10 EGCDMN C[C@@H](c1ccc(F)c(F)c1[O-])[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000296345242 455914480 /nfs/dbraw/zinc/91/44/80/455914480.db2.gz IARBSSAHOHOAKS-NWDGAFQWSA-N 0 1 340.414 3.345 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1[O-] ZINC000188028460 455982045 /nfs/dbraw/zinc/98/20/45/455982045.db2.gz NMPRJMYYPSWRSQ-GYSYKLTISA-N 0 1 328.250 3.356 20 10 EGCDMN Cc1ccnc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000286295285 456018424 /nfs/dbraw/zinc/01/84/24/456018424.db2.gz WLFLMRGGUZXNHM-QGZVFWFLSA-N 0 1 339.483 3.450 20 10 EGCDMN Cc1ccc2nc([C@H]3CCCN3C(=O)c3cccc(O)c3O)[nH]c2c1 ZINC000188481387 456071036 /nfs/dbraw/zinc/07/10/36/456071036.db2.gz PUPQSMZELNUSOI-OAHLLOKOSA-N 0 1 337.379 3.260 20 10 EGCDMN CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1cccc(Cl)c1[O-] ZINC000287760574 456078214 /nfs/dbraw/zinc/07/82/14/456078214.db2.gz QVRQAEAUNGNELZ-YOEHRIQHSA-N 0 1 339.911 3.112 20 10 EGCDMN Cc1ccc(O)c(CN2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c1 ZINC000271276003 456200655 /nfs/dbraw/zinc/20/06/55/456200655.db2.gz KWHXOTBEJSOJGT-AZUAARDMSA-N 0 1 327.424 3.025 20 10 EGCDMN CCCCN(Cc1ccccc1O)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000282552252 456549527 /nfs/dbraw/zinc/54/95/27/456549527.db2.gz XHGNZZYOAIJWIW-SFHVURJKSA-N 0 1 330.403 3.360 20 10 EGCDMN C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(F)c(F)c1[O-] ZINC000276865309 456604129 /nfs/dbraw/zinc/60/41/29/456604129.db2.gz DFCAVFCTVOWLJL-OQPBUACISA-N 0 1 329.293 3.333 20 10 EGCDMN CCc1nc(C)c(CN[C@H](C)c2ccc(N3CCOCC3)cc2)o1 ZINC000292010277 456827822 /nfs/dbraw/zinc/82/78/22/456827822.db2.gz YSLQOEKTJPRSJE-CQSZACIVSA-N 0 1 329.444 3.233 20 10 EGCDMN C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1cc(Cl)ccc1[O-] ZINC000363865378 457458829 /nfs/dbraw/zinc/45/88/29/457458829.db2.gz NBGPOGGJQYFIPQ-LBPRGKRZSA-N 0 1 328.803 3.477 20 10 EGCDMN C[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@]2(CCCOC2)O1 ZINC000366478449 457821490 /nfs/dbraw/zinc/82/14/90/457821490.db2.gz PBXRCIGNYIIYSP-BZNIZROVSA-N 0 1 346.254 3.469 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371327197 457868210 /nfs/dbraw/zinc/86/82/10/457868210.db2.gz MIEPMADJFGRQJN-NWDGAFQWSA-N 0 1 326.234 3.013 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000371327197 457868213 /nfs/dbraw/zinc/86/82/13/457868213.db2.gz MIEPMADJFGRQJN-NWDGAFQWSA-N 0 1 326.234 3.013 20 10 EGCDMN Oc1cc2c(cc1C[N@H+]1CC[C@@H](Cc3ccc(F)cc3)C1)OCO2 ZINC000736594120 575988089 /nfs/dbraw/zinc/98/80/89/575988089.db2.gz JPUTYQMTXGJUCC-AWEZNQCLSA-N 0 1 329.371 3.325 20 10 EGCDMN CCN1CCN(c2ccc(CNC(=O)CCC(C)(C)C)cc2F)CC1 ZINC000737554829 576243714 /nfs/dbraw/zinc/24/37/14/576243714.db2.gz NDBCPQLNPPANKE-UHFFFAOYSA-N 0 1 349.494 3.410 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C[C@H]1C(=O)[O-] ZINC000828456255 601818904 /nfs/dbraw/zinc/81/89/04/601818904.db2.gz JVTYSUJLNOQNNY-DGCLKSJQSA-N 0 1 329.396 3.170 20 10 EGCDMN O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000833211475 604983235 /nfs/dbraw/zinc/98/32/35/604983235.db2.gz ZKVHDFOTRXSMSN-GFCCVEGCSA-N 0 1 329.396 3.456 20 10 EGCDMN Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000834913716 1293175513 /nfs/dbraw/zinc/17/55/13/1293175513.db2.gz ZTVFJZVNSHXHQV-JQWIXIFHSA-N 0 1 333.819 3.427 20 10 EGCDMN CCC[N@@H+](CC(=O)NCc1ccccc1C)Cc1ccccc1O ZINC000130735956 1293666859 /nfs/dbraw/zinc/66/68/59/1293666859.db2.gz JNHMYJUYJHEKKA-UHFFFAOYSA-N 0 1 326.440 3.229 20 10 EGCDMN COc1ccccc1CN(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000160418920 1294267949 /nfs/dbraw/zinc/26/79/49/1294267949.db2.gz HJNGYJZOZIIFOC-UHFFFAOYSA-N 0 1 344.430 3.303 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCSC(F)(F)F ZINC000171128310 1294395093 /nfs/dbraw/zinc/39/50/93/1294395093.db2.gz MENPWQXJPPNFGY-UHFFFAOYSA-N 0 1 330.169 3.497 20 10 EGCDMN CCN(Cc1ccccc1)c1ccc(CN2CCC[C@@H]2C(N)=O)cc1 ZINC000179577688 1294806830 /nfs/dbraw/zinc/80/68/30/1294806830.db2.gz FTFYEDMCUKTZJA-HXUWFJFHSA-N 0 1 337.467 3.163 20 10 EGCDMN CN(c1ccc(CNC(=O)CCc2cnc[nH]2)cc1)C1CCCCC1 ZINC000189270315 1295510885 /nfs/dbraw/zinc/51/08/85/1295510885.db2.gz ZNKHJHBUYQAMDW-UHFFFAOYSA-N 0 1 340.471 3.428 20 10 EGCDMN CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(F)c1 ZINC000189419831 1295520367 /nfs/dbraw/zinc/52/03/67/1295520367.db2.gz QKZKOLYIJVYMIE-UHFFFAOYSA-N 0 1 325.361 3.039 20 10 EGCDMN CN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1ccccc1O ZINC000189740368 1295539631 /nfs/dbraw/zinc/53/96/31/1295539631.db2.gz OFYKXMRPJIPNQV-UHFFFAOYSA-N 0 1 325.387 3.408 20 10 EGCDMN O=C(NCc1ccc(N2CCCC2)cc1)c1n[nH]nc1-c1ccccc1 ZINC000193373694 1295857943 /nfs/dbraw/zinc/85/79/43/1295857943.db2.gz CWBOSXVENBBNQF-UHFFFAOYSA-N 0 1 347.422 3.002 20 10 EGCDMN CC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cc(Br)ccc1[O-] ZINC000315761534 1297138482 /nfs/dbraw/zinc/13/84/82/1297138482.db2.gz CMAYCWNHFTYFHL-HIFRSBDPSA-N 0 1 328.250 3.356 20 10 EGCDMN CCCOc1ccc(CNCc2cc(=O)n3ccccc3n2)cc1C ZINC000873132704 1297289252 /nfs/dbraw/zinc/28/92/52/1297289252.db2.gz CNXNUBZSEAJSCZ-UHFFFAOYSA-N 0 1 337.423 3.082 20 10 EGCDMN CC(C)[C@@H]1C[N@@H+](Cc2cccc(Br)c2[O-])CCCO1 ZINC000378806783 1297521860 /nfs/dbraw/zinc/52/18/60/1297521860.db2.gz YRAIKGQBXZQJJW-AWEZNQCLSA-N 0 1 328.250 3.402 20 10 EGCDMN CC[C@@H]([NH2+]CCC1CC(O)C1)c1cc(Br)ccc1[O-] ZINC000702437316 1298195919 /nfs/dbraw/zinc/19/59/19/1298195919.db2.gz SJNKTDLEOWIEFH-MMWSSPAHSA-N 0 1 328.250 3.356 20 10 EGCDMN Cc1cccc(O)c1CN1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000876812533 1299007381 /nfs/dbraw/zinc/00/73/81/1299007381.db2.gz MKJGRDKCZAWVLW-XLIONFOSSA-N 0 1 327.424 3.025 20 10 EGCDMN C[C@@H]1Oc2ccccc2[C@H]1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000877535622 1299376276 /nfs/dbraw/zinc/37/62/76/1299376276.db2.gz CBZPQTLJOGGVPB-BTYIYWSLSA-N 0 1 338.451 3.260 20 10 EGCDMN COc1cc(Cl)cc(CN2CC[C@H](OCc3ccccn3)C2)c1O ZINC000877645649 1299452520 /nfs/dbraw/zinc/45/25/20/1299452520.db2.gz RDISYQYINMGIRE-INIZCTEOSA-N 0 1 348.830 3.240 20 10 EGCDMN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000877694004 1299486563 /nfs/dbraw/zinc/48/65/63/1299486563.db2.gz WTEAWWVLKMOLBV-PRHODGIISA-N 0 1 344.299 3.173 20 10 EGCDMN COc1ccc(N2CCN(Cc3cccc(N(C)C)c3)CC2)cc1F ZINC000753859967 1300031945 /nfs/dbraw/zinc/03/19/45/1300031945.db2.gz DMHTYZBPWCVCBG-UHFFFAOYSA-N 0 1 343.446 3.223 20 10 EGCDMN COCC(=O)Nc1cccc(C[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756378460 1300479716 /nfs/dbraw/zinc/47/97/16/1300479716.db2.gz FDFKGLCGGZWXCE-GFCCVEGCSA-N 0 1 348.830 3.481 20 10 EGCDMN COc1ccc(O)c([C@@H](C)NCc2c(OC)cc(OC)cc2OC)c1 ZINC000756432388 1300490051 /nfs/dbraw/zinc/49/00/51/1300490051.db2.gz RWLDWXLJJCLGPD-GFCCVEGCSA-N 0 1 347.411 3.277 20 10 EGCDMN Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(Cl)ccc2[O-])c1 ZINC000756461982 1300497837 /nfs/dbraw/zinc/49/78/37/1300497837.db2.gz WJXIDGAHRWVNKC-CYBMUJFWSA-N 0 1 332.831 3.435 20 10 EGCDMN C[C@H](NCc1nnnn1-c1ccccc1)c1cc2c(cc1O)CCCC2 ZINC000756490256 1300504819 /nfs/dbraw/zinc/50/48/19/1300504819.db2.gz NAKCGKWHPQLPNI-AWEZNQCLSA-N 0 1 349.438 3.098 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1)c1cc(Cl)ccc1[O-] ZINC000756737072 1300556334 /nfs/dbraw/zinc/55/63/34/1300556334.db2.gz DEELGLMSNABNAC-CYZMBNFOSA-N 0 1 331.865 3.052 20 10 EGCDMN CO[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1[O-])C(F)(F)F ZINC000756836945 1300574229 /nfs/dbraw/zinc/57/42/29/1300574229.db2.gz ZSKMHSDFVHTZDA-CPCISQLKSA-N 0 1 342.155 3.383 20 10 EGCDMN CCc1cc(=O)[n-]c(C[N@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000758715148 1300943019 /nfs/dbraw/zinc/94/30/19/1300943019.db2.gz HLBPZNOAADYTLG-UHFFFAOYSA-N 0 1 327.428 3.395 20 10 EGCDMN CCc1cc(=O)[n-]c(C[N@@H+](Cc2ccccc2O)C2CCCC2)n1 ZINC000758715148 1300943023 /nfs/dbraw/zinc/94/30/23/1300943023.db2.gz HLBPZNOAADYTLG-UHFFFAOYSA-N 0 1 327.428 3.395 20 10 EGCDMN CCc1nc(COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000760302366 1301248987 /nfs/dbraw/zinc/24/89/87/1301248987.db2.gz KCMJSCJBPGXRCT-UHFFFAOYSA-N 0 1 342.374 3.271 20 10 EGCDMN COc1cc(Cl)cc(CNCc2nn(C)c3ccccc23)c1O ZINC000761224958 1301424320 /nfs/dbraw/zinc/42/43/20/1301424320.db2.gz DCLFJQKAZBKXCY-UHFFFAOYSA-N 0 1 331.803 3.231 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768247785 1302865474 /nfs/dbraw/zinc/86/54/74/1302865474.db2.gz CZRMRGKIWWIKJJ-AWEZNQCLSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000768247785 1302865481 /nfs/dbraw/zinc/86/54/81/1302865481.db2.gz CZRMRGKIWWIKJJ-AWEZNQCLSA-N 0 1 340.851 3.487 20 10 EGCDMN CN(C(=O)OC(C)(C)C)[C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000768247785 1302865486 /nfs/dbraw/zinc/86/54/86/1302865486.db2.gz CZRMRGKIWWIKJJ-AWEZNQCLSA-N 0 1 340.851 3.487 20 10 EGCDMN COc1cc(Br)cc(CN(C)Cc2ccoc2)c1O ZINC000769006425 1303030733 /nfs/dbraw/zinc/03/07/33/1303030733.db2.gz TVKZQGPNAMPJBZ-UHFFFAOYSA-N 0 1 326.190 3.388 20 10 EGCDMN CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000769078624 1303043609 /nfs/dbraw/zinc/04/36/09/1303043609.db2.gz RSCWSXAZWJDYSL-SNVBAGLBSA-N 0 1 332.227 3.474 20 10 EGCDMN O=C1CN(Cc2cc(-c3ccccc3)ccc2O)[C@@H]2CCCC[C@H]2N1 ZINC000769192850 1303067795 /nfs/dbraw/zinc/06/77/95/1303067795.db2.gz QOEBZHBMKKDYAM-RTBURBONSA-N 0 1 336.435 3.302 20 10 EGCDMN CC(C)COC(=O)N1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000769225012 1303076220 /nfs/dbraw/zinc/07/62/20/1303076220.db2.gz GSUXRQRYVJKAPP-UHFFFAOYSA-N 0 1 340.851 3.346 20 10 EGCDMN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000769519553 1303134874 /nfs/dbraw/zinc/13/48/74/1303134874.db2.gz RKIOEKKMSDSFLW-ZDUSSCGKSA-N 0 1 340.261 3.403 20 10 EGCDMN 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CC[C@H]([NH2+]C[C@]1(OC)CCOC1)c1cc(Br)ccc1[O-] ZINC000160086802 1294257114 /nfs/dbraw/zinc/25/71/14/1294257114.db2.gz ACGKWNFAIRFLGJ-DZGCQCFKSA-N 0 1 344.249 3.001 20 10 EGCDMN Cc1cc(C(=O)N[C@@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000175933300 1294581388 /nfs/dbraw/zinc/58/13/88/1294581388.db2.gz LERSMVFMMUYGCY-NSHDSACASA-N 0 1 343.818 3.357 20 10 EGCDMN CN(Cc1ccccc1O)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000177154139 1294657391 /nfs/dbraw/zinc/65/73/91/1294657391.db2.gz BIGFGJXWTJSLTE-INIZCTEOSA-N 0 1 330.815 3.283 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)[C@@H]2NCCc3ccccc32)cc1 ZINC000178712713 1294751298 /nfs/dbraw/zinc/75/12/98/1294751298.db2.gz ITSBGZDJTUSKNE-HXUWFJFHSA-N 0 1 337.467 3.036 20 10 EGCDMN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)Cc1ccccc1O ZINC000179569798 1294803340 /nfs/dbraw/zinc/80/33/40/1294803340.db2.gz XAOBREICAUATPB-GOSISDBHSA-N 0 1 340.467 3.115 20 10 EGCDMN CC(C)(C)OC(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[O-])C1 ZINC000179738906 1294820575 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CCCOc1ccc(CN[C@H](C)C(=O)NCc2ccco2)cc1C ZINC000873051242 1297248742 /nfs/dbraw/zinc/24/87/42/1297248742.db2.gz GDIYWMBIIJGGDJ-OAHLLOKOSA-N 0 1 330.428 3.171 20 10 EGCDMN CC1(C)CN(C(=O)Nc2ccc(N)cc2)CCN1Cc1ccccc1 ZINC000382758465 1297564652 /nfs/dbraw/zinc/56/46/52/1297564652.db2.gz UAAGPYALJXZSBZ-UHFFFAOYSA-N 0 1 338.455 3.397 20 10 EGCDMN CO[C@H](C)c1noc(CN(Cc2ccccc2O)C2CCCC2)n1 ZINC000747529077 1298796861 /nfs/dbraw/zinc/79/68/61/1298796861.db2.gz GOHROTIWVPVGBI-CYBMUJFWSA-N 0 1 331.416 3.427 20 10 EGCDMN CC[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1c(C)noc1C ZINC000877120690 1299165700 /nfs/dbraw/zinc/16/57/00/1299165700.db2.gz TXDKZNGZHCRKNJ-LJQANCHMSA-N 0 1 343.471 3.493 20 10 EGCDMN OC1CCN(c2ccc(CN3CCCC[C@@H]3c3cc[nH]n3)cc2)CC1 ZINC000877515967 1299360415 /nfs/dbraw/zinc/36/04/15/1299360415.db2.gz VFKYPEDFLYTXIB-HXUWFJFHSA-N 0 1 340.471 3.098 20 10 EGCDMN C[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)[C@@H](O)C(F)(F)F ZINC000877694005 1299485983 /nfs/dbraw/zinc/48/59/83/1299485983.db2.gz 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O=C1C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)CN1Cc1ccccc1 ZINC000758620783 1300923934 /nfs/dbraw/zinc/92/39/34/1300923934.db2.gz PNHWSSUOENMCHL-OAHLLOKOSA-N 0 1 344.842 3.184 20 10 EGCDMN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000758774134 1300953551 /nfs/dbraw/zinc/95/35/51/1300953551.db2.gz MGAQVJCJIJTJBH-UHFFFAOYSA-N 0 1 339.800 3.357 20 10 EGCDMN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(-c3ccccc3)ccc2O)C1 ZINC000764679775 1302117560 /nfs/dbraw/zinc/11/75/60/1302117560.db2.gz VTWBZSPJGASFAF-GOSISDBHSA-N 0 1 345.464 3.068 20 10 EGCDMN CCOc1ccc(O)c(CN2CCN(c3ccc(F)cc3)CC2)c1 ZINC000768140814 1302834426 /nfs/dbraw/zinc/83/44/26/1302834426.db2.gz LWYBSOCQIMROGS-UHFFFAOYSA-N 0 1 330.403 3.252 20 10 EGCDMN Oc1ccc(Cl)cc1CN1CCN(CCc2cccs2)CC1 ZINC000768357533 1302887716 /nfs/dbraw/zinc/88/77/16/1302887716.db2.gz NFJRNQMUJMGSBI-UHFFFAOYSA-N 0 1 336.888 3.467 20 10 EGCDMN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768447922 1302908782 /nfs/dbraw/zinc/90/87/82/1302908782.db2.gz RQJCUDCELMPLRN-PZJWPPBQSA-N 0 1 339.435 3.372 20 10 EGCDMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768447922 1302908791 /nfs/dbraw/zinc/90/87/91/1302908791.db2.gz RQJCUDCELMPLRN-PZJWPPBQSA-N 0 1 339.435 3.372 20 10 EGCDMN C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768462723 1302910824 /nfs/dbraw/zinc/91/08/24/1302910824.db2.gz CFRSLQQTJVVQBC-VVFCZOMOSA-N 0 1 325.408 3.196 20 10 EGCDMN CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cc3c(cc2O)OC[C@H]3O)C1(CC)CC ZINC000768463454 1302911092 /nfs/dbraw/zinc/91/10/92/1302911092.db2.gz JGSJPLJOAXIQBE-NZSAHSFTSA-N 0 1 349.471 3.234 20 10 EGCDMN CCC[C@]1(CO)CCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000769914154 1303192456 /nfs/dbraw/zinc/19/24/56/1303192456.db2.gz VGMFRARFCKJSTJ-QGZVFWFLSA-N 0 1 325.836 3.375 20 10 EGCDMN CCC[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000769914154 1303192461 /nfs/dbraw/zinc/19/24/61/1303192461.db2.gz VGMFRARFCKJSTJ-QGZVFWFLSA-N 0 1 325.836 3.375 20 10 EGCDMN CC(C)[C@H](C)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771063303 1303355569 /nfs/dbraw/zinc/35/55/69/1303355569.db2.gz DZUPANCVPDKOTO-XJKSGUPXSA-N 0 1 338.879 3.418 20 10 EGCDMN CCC1(O)CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000771876486 1303454169 /nfs/dbraw/zinc/45/41/69/1303454169.db2.gz ZDFGUPSKZFXORK-UHFFFAOYSA-N 0 1 328.250 3.328 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)[C@@H](CO)c2ccccc2C)c1O ZINC000886433291 1303466261 /nfs/dbraw/zinc/46/62/61/1303466261.db2.gz FWFUWUSDBUTOTM-SFHVURJKSA-N 0 1 331.387 3.208 20 10 EGCDMN CCS[C@@H]1CCCC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000774883901 1303871793 /nfs/dbraw/zinc/87/17/93/1303871793.db2.gz FBGNNBFDBUNAAD-CYBMUJFWSA-N 0 1 340.445 3.417 20 10 EGCDMN CCOC(=O)N1CC[C@H]([NH2+][C@H](CC)c2cc(Cl)ccc2[O-])C1 ZINC000775555204 1303983316 /nfs/dbraw/zinc/98/33/16/1303983316.db2.gz TUGJLYXCTMTZOF-GXTWGEPZSA-N 0 1 326.824 3.317 20 10 EGCDMN CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1cc(Cl)ccc1[O-] ZINC000775585357 1303989104 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CCN(CC)c1ccc(CN(C)CC(=O)N2CCC[C@@H](C)C2)cc1 ZINC000781617892 1304849326 /nfs/dbraw/zinc/84/93/26/1304849326.db2.gz WYIFUCMSOTZWOI-QGZVFWFLSA-N 0 1 331.504 3.223 20 10 EGCDMN COc1ccc(N2CCCN(Cc3cnc(F)c(C)c3)CC2)cc1 ZINC000891774358 1305161989 /nfs/dbraw/zinc/16/19/89/1305161989.db2.gz AAZLSFTVQYEFJF-UHFFFAOYSA-N 0 1 329.419 3.250 20 10 EGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)OCC1CC1 ZINC000785096433 1305312322 /nfs/dbraw/zinc/31/23/22/1305312322.db2.gz QKNYUIQWNXTGGW-OAHLLOKOSA-N 0 1 338.835 3.146 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785540474 1305373507 /nfs/dbraw/zinc/37/35/07/1305373507.db2.gz JXRUGXSNELNRQV-KANYHAFZSA-N 0 1 325.836 3.230 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)c1[O-] ZINC000785540474 1305373520 /nfs/dbraw/zinc/37/35/20/1305373520.db2.gz JXRUGXSNELNRQV-KANYHAFZSA-N 0 1 325.836 3.230 20 10 EGCDMN CCc1ccc([C@@H](COC)NCc2ccc(OC)c(OC)c2O)o1 ZINC000892956864 1305626212 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APVHOHQGCQQOOZ-MRXNPFEDSA-N 0 1 349.789 3.285 20 10 EGCDMN [O-]c1cc(F)c(Cl)cc1C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000816560582 1319182779 /nfs/dbraw/zinc/18/27/79/1319182779.db2.gz SZMCNWGAVIAOBX-KRWDZBQOSA-N 0 1 339.769 3.417 20 10 EGCDMN CC(C)[C@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958158 1319477066 /nfs/dbraw/zinc/47/70/66/1319477066.db2.gz IKRVQEJFSUVFNB-QPUJVOFHSA-N 0 1 335.673 3.442 20 10 EGCDMN COc1nccc(CNCc2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000824548176 1320264295 /nfs/dbraw/zinc/26/42/95/1320264295.db2.gz BBBDHNPCAVAAFZ-UHFFFAOYSA-N 0 1 336.439 3.491 20 10 EGCDMN Oc1cc(Br)ccc1CNCc1nccn1C(F)F ZINC000825155498 1320315382 /nfs/dbraw/zinc/31/53/82/1320315382.db2.gz GDUBWUNFLYLBJU-UHFFFAOYSA-N 0 1 332.148 3.036 20 10 EGCDMN CC[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825284646 1320324018 /nfs/dbraw/zinc/32/40/18/1320324018.db2.gz VZZSJNRAYWYLSG-NDMJEZRESA-N 0 1 330.350 3.106 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]CCc2cccc(C(=O)N(C)C)c2)cc1Cl ZINC000825287069 1320324167 /nfs/dbraw/zinc/32/41/67/1320324167.db2.gz IKIIOGRLNRTFQX-UHFFFAOYSA-N 0 1 346.858 3.388 20 10 EGCDMN C[C@H](CCO)C1(C[NH2+]Cc2ccc(Br)cc2[O-])CCC1 ZINC000825405263 1320335279 /nfs/dbraw/zinc/33/52/79/1320335279.db2.gz FNRPRDNMBDZKEL-GFCCVEGCSA-N 0 1 342.277 3.433 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1Cl ZINC000825501863 1320343212 /nfs/dbraw/zinc/34/32/12/1320343212.db2.gz SKNQXLXGDJVGJB-AWEZNQCLSA-N 0 1 325.836 3.329 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1Cl ZINC000825501863 1320343217 /nfs/dbraw/zinc/34/32/17/1320343217.db2.gz SKNQXLXGDJVGJB-AWEZNQCLSA-N 0 1 325.836 3.329 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000826065012 1320381744 /nfs/dbraw/zinc/38/17/44/1320381744.db2.gz SKDQDFFFZMMBHQ-CYBMUJFWSA-N 0 1 328.275 3.482 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000826065012 1320381748 /nfs/dbraw/zinc/38/17/48/1320381748.db2.gz SKDQDFFFZMMBHQ-CYBMUJFWSA-N 0 1 328.275 3.482 20 10 EGCDMN Oc1cc(Br)ccc1CN1CCSC[C@@H]1C1CC1 ZINC000826065012 1320381754 /nfs/dbraw/zinc/38/17/54/1320381754.db2.gz SKDQDFFFZMMBHQ-CYBMUJFWSA-N 0 1 328.275 3.482 20 10 EGCDMN C[C@H]1CC[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000838738852 1320810953 /nfs/dbraw/zinc/81/09/53/1320810953.db2.gz AJRBOXAPLLXZNL-KWQFWETISA-N 0 1 333.215 3.066 20 10 EGCDMN CN(C)c1ccc(CN2CC[C@@]3(C2)CC(=O)c2ccccc2O3)cc1 ZINC000839644086 1320950246 /nfs/dbraw/zinc/95/02/46/1320950246.db2.gz NVKITSZQKJWWDO-NRFANRHFSA-N 0 1 336.435 3.363 20 10 EGCDMN COc1ccc2c(c1)CN(Cc1cc(C)cc(OC)c1O)CCO2 ZINC000840131907 1321036533 /nfs/dbraw/zinc/03/65/33/1321036533.db2.gz FERDQHOAIQGLCH-UHFFFAOYSA-N 0 1 329.396 3.112 20 10 EGCDMN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841746314 1321305309 /nfs/dbraw/zinc/30/53/09/1321305309.db2.gz YLTSSQVSUZYPML-GFCCVEGCSA-N 0 1 348.830 3.021 20 10 EGCDMN C[C@@H]([NH2+]Cc1cccnc1N1CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841744445 1321305657 /nfs/dbraw/zinc/30/56/57/1321305657.db2.gz HOHYTXFBKCICFH-CYBMUJFWSA-N 0 1 347.846 3.128 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCN(CC(F)F)C1)c1ccc(Br)cc1[O-] ZINC000841764781 1321308984 /nfs/dbraw/zinc/30/89/84/1321308984.db2.gz ILKAOWQKHIHWJP-MWLCHTKSSA-N 0 1 349.219 3.145 20 10 EGCDMN C[N@H+](Cc1c([O-])ccc2ccncc21)C[C@]1(O)CCc2ccccc21 ZINC000842623169 1321408144 /nfs/dbraw/zinc/40/81/44/1321408144.db2.gz KJOZCMSYCQAULB-OAQYLSRUSA-N 0 1 334.419 3.206 20 10 EGCDMN C[N@@H+](Cc1c([O-])ccc2ccncc21)C[C@]1(O)CCc2ccccc21 ZINC000842623169 1321408145 /nfs/dbraw/zinc/40/81/45/1321408145.db2.gz KJOZCMSYCQAULB-OAQYLSRUSA-N 0 1 334.419 3.206 20 10 EGCDMN CC[C@H]([NH2+]Cc1c([O-])cccc1Cl)C(=O)NCc1cccs1 ZINC000842749316 1321427717 /nfs/dbraw/zinc/42/77/17/1321427717.db2.gz WUSFFUMVVMCBOP-AWEZNQCLSA-N 0 1 338.860 3.292 20 10 EGCDMN CCC[N@@H+](Cc1cc(Br)ccc1O)C1CC[NH2+]CC1 ZINC000843045000 1321460365 /nfs/dbraw/zinc/46/03/65/1321460365.db2.gz PNLYIXRUFXDULZ-UHFFFAOYSA-N 0 1 327.266 3.119 20 10 EGCDMN Cc1ccc(F)c(CNCc2ccc(N3CCC(O)CC3)cc2)c1 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20 10 EGCDMN CC[N@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1[O-] ZINC000093866960 454741123 /nfs/dbraw/zinc/74/11/23/454741123.db2.gz XGONQPRIHYSTHT-UHFFFAOYSA-N 0 1 340.217 3.262 20 10 EGCDMN CC[N@@H+](Cc1ccc(CO)o1)Cc1cc(Br)ccc1[O-] ZINC000093866960 454741127 /nfs/dbraw/zinc/74/11/27/454741127.db2.gz XGONQPRIHYSTHT-UHFFFAOYSA-N 0 1 340.217 3.262 20 10 EGCDMN CCc1cc(N2CCC([NH2+]Cc3c([O-])cccc3Cl)CC2)ncn1 ZINC000267098708 455501174 /nfs/dbraw/zinc/50/11/74/455501174.db2.gz OLVAWFDOFRPWAZ-UHFFFAOYSA-N 0 1 346.862 3.157 20 10 EGCDMN O=C1CCCCN1CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1 ZINC000128782018 455082429 /nfs/dbraw/zinc/08/24/29/455082429.db2.gz RVHGPEPXJOAVTB-UHFFFAOYSA-N 0 1 336.863 3.270 20 10 EGCDMN O=C(c1ccccc1F)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000179922192 455099960 /nfs/dbraw/zinc/09/99/60/455099960.db2.gz TUOORCWUQRKZND-UHFFFAOYSA-N 0 1 346.377 3.019 20 10 EGCDMN CC(C)Cn1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000182960229 455200157 /nfs/dbraw/zinc/20/01/57/455200157.db2.gz OHIBJWACHRMANV-LJQANCHMSA-N 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O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1c([O-])ccc(Cl)c1F)C2 ZINC000375463193 457938800 /nfs/dbraw/zinc/93/88/00/457938800.db2.gz ZMXLWILRXSSTPE-SFHVURJKSA-N 0 1 346.789 3.281 20 10 EGCDMN CC[C@H]([NH2+]Cc1cnnn1CC)c1cc(Br)ccc1[O-] ZINC000527921083 459772548 /nfs/dbraw/zinc/77/25/48/459772548.db2.gz TVKHIAQPRMIYNB-ZDUSSCGKSA-N 0 1 339.237 3.007 20 10 EGCDMN Oc1ccc2ccncc2c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000738069748 574633033 /nfs/dbraw/zinc/63/30/33/574633033.db2.gz KUCFQAPLJJKXLL-UHFFFAOYSA-N 0 1 339.361 3.010 20 10 EGCDMN [O-]c1ccc2ccncc2c1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000738069748 574633036 /nfs/dbraw/zinc/63/30/36/574633036.db2.gz KUCFQAPLJJKXLL-UHFFFAOYSA-N 0 1 339.361 3.010 20 10 EGCDMN O=c1cc(C[N@H+](Cc2ccccc2O)C2CCCC2)nc2ccccn12 ZINC000731846107 575211896 /nfs/dbraw/zinc/21/18/96/575211896.db2.gz RUNULKIALNGAED-UHFFFAOYSA-N 0 1 349.434 3.345 20 10 EGCDMN Cc1cc(CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n[nH]1 ZINC000733285994 575323933 /nfs/dbraw/zinc/32/39/33/575323933.db2.gz 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/nfs/dbraw/zinc/16/54/05/1293165405.db2.gz OQNXXEUFQMUOAB-BHYGNILZSA-N 0 1 326.440 3.059 20 10 EGCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123864597 1293458575 /nfs/dbraw/zinc/45/85/75/1293458575.db2.gz CBWLYMBFPYRHAA-CYBMUJFWSA-N 0 1 338.879 3.420 20 10 EGCDMN CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000123864597 1293458583 /nfs/dbraw/zinc/45/85/83/1293458583.db2.gz CBWLYMBFPYRHAA-CYBMUJFWSA-N 0 1 338.879 3.420 20 10 EGCDMN O=C(Cc1[nH]nc2ccccc21)NCc1ccc(N2CCCC2)cc1 ZINC000144976636 1293867981 /nfs/dbraw/zinc/86/79/81/1293867981.db2.gz NNGAEXMYMJHLJR-UHFFFAOYSA-N 0 1 334.423 3.022 20 10 EGCDMN CCOc1ccc(O)c(CN2CCc3cc(OC)c(OC)cc3C2)c1 ZINC000159781611 1294246549 /nfs/dbraw/zinc/24/65/49/1294246549.db2.gz SANPBJQTHPZTIY-UHFFFAOYSA-N 0 1 343.423 3.366 20 10 EGCDMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177163267 1294657335 /nfs/dbraw/zinc/65/73/35/1294657335.db2.gz DYZLTRIRYPZJDO-JKSUJKDBSA-N 0 1 325.836 3.374 20 10 EGCDMN CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177163267 1294657341 /nfs/dbraw/zinc/65/73/41/1294657341.db2.gz DYZLTRIRYPZJDO-JKSUJKDBSA-N 0 1 325.836 3.374 20 10 EGCDMN CC[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177163267 1294657355 /nfs/dbraw/zinc/65/73/55/1294657355.db2.gz DYZLTRIRYPZJDO-JKSUJKDBSA-N 0 1 325.836 3.374 20 10 EGCDMN COCc1cccc(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000179230445 1294780727 /nfs/dbraw/zinc/78/07/27/1294780727.db2.gz CLPXRAGGQAUJNO-UHFFFAOYSA-N 0 1 344.430 3.303 20 10 EGCDMN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000182436523 1295047349 /nfs/dbraw/zinc/04/73/49/1295047349.db2.gz GELVUFMBZPDIEP-KGLIPLIRSA-N 0 1 338.411 3.393 20 10 EGCDMN Cc1cccc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1C#N ZINC000187062811 1295365550 /nfs/dbraw/zinc/36/55/50/1295365550.db2.gz URWANCVZBOSKCU-UHFFFAOYSA-N 0 1 330.409 3.298 20 10 EGCDMN Cn1cc([C@H]2CSCCN2Cc2cc3c(cc2O)CCCC3)cn1 ZINC000189870127 1295549292 /nfs/dbraw/zinc/54/92/92/1295549292.db2.gz PPSJHERKGMOEOL-GOSISDBHSA-N 0 1 343.496 3.295 20 10 EGCDMN COC[C@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000190209325 1295568381 /nfs/dbraw/zinc/56/83/81/1295568381.db2.gz ZQROHUPPKFDAJM-ZIAGYGMSSA-N 0 1 345.439 3.253 20 10 EGCDMN COC[C@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000190209325 1295568388 /nfs/dbraw/zinc/56/83/88/1295568388.db2.gz ZQROHUPPKFDAJM-ZIAGYGMSSA-N 0 1 345.439 3.253 20 10 EGCDMN COc1cccc(CNCc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000192669290 1295787788 /nfs/dbraw/zinc/78/77/88/1295787788.db2.gz STFSZDIAVZSGOS-UHFFFAOYSA-N 0 1 348.393 3.100 20 10 EGCDMN CCN(CC)c1ccc(CNC(=O)c2[nH]nc3c2CCCC3)cc1 ZINC000195553422 1296076352 /nfs/dbraw/zinc/07/63/52/1296076352.db2.gz RGGDAYQCDUDYHD-UHFFFAOYSA-N 0 1 326.444 3.065 20 10 EGCDMN Cc1cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c(O)c(C(C)(C)C)c1 ZINC000246455419 1296353238 /nfs/dbraw/zinc/35/32/38/1296353238.db2.gz YJJGPEJVYPVHSA-QZTJIDSGSA-N 0 1 333.472 3.378 20 10 EGCDMN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cccc(Br)c1[O-] ZINC000394365087 1297676443 /nfs/dbraw/zinc/67/64/43/1297676443.db2.gz NBMMJLBJXDJPIR-UQJZFXKTSA-N 0 1 338.245 3.010 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN(OC)CC1)c1cc(Br)ccc1[O-] ZINC000692132750 1298140772 /nfs/dbraw/zinc/14/07/72/1298140772.db2.gz DCKVMDUZADEISO-CQSZACIVSA-N 0 1 343.265 3.221 20 10 EGCDMN CO[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C1CCCC1 ZINC000692952842 1298147646 /nfs/dbraw/zinc/14/76/46/1298147646.db2.gz YJAGMDWBNCOQIL-HNNXBMFYSA-N 0 1 328.250 3.450 20 10 EGCDMN [O-]c1cccc(Br)c1CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000707158319 1298226747 /nfs/dbraw/zinc/22/67/47/1298226747.db2.gz ZGZAUYMMFINASK-CYBMUJFWSA-N 0 1 339.277 3.215 20 10 EGCDMN CO[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000715803759 1298288827 /nfs/dbraw/zinc/28/88/27/1298288827.db2.gz KYKGTEIYOATAHK-GFCCVEGCSA-N 0 1 332.213 3.295 20 10 EGCDMN CCN(CCNC(=O)N[C@H](C)c1ccccc1O)CCC(F)(F)F ZINC000875530855 1298376560 /nfs/dbraw/zinc/37/65/60/1298376560.db2.gz 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EGCDMN [O-]c1c(Cl)cccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000369033860 458070831 /nfs/dbraw/zinc/07/08/31/458070831.db2.gz YQBRTHALBCYFGS-UHFFFAOYSA-N 0 1 335.810 3.292 20 10 EGCDMN CC[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1cc(Br)ccc1[O-] ZINC000037155643 522911062 /nfs/dbraw/zinc/91/10/62/522911062.db2.gz ULNWIIZCYUAQFL-SMDDNHRTSA-N 0 1 338.249 3.481 20 10 EGCDMN O=C(C[NH2+]Cc1c([O-])cccc1Cl)Nc1cccc2cccnc21 ZINC000733327534 575328242 /nfs/dbraw/zinc/32/82/42/575328242.db2.gz UPVBJLIPSPRRHG-UHFFFAOYSA-N 0 1 341.798 3.322 20 10 EGCDMN O=C(CNCc1c(O)cccc1Cl)Nc1cccc2cccnc21 ZINC000733327534 575328244 /nfs/dbraw/zinc/32/82/44/575328244.db2.gz UPVBJLIPSPRRHG-UHFFFAOYSA-N 0 1 341.798 3.322 20 10 EGCDMN Cc1ccc(CC[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000738589813 576339613 /nfs/dbraw/zinc/33/96/13/576339613.db2.gz XBLXFICCNNPDHA-UHFFFAOYSA-N 0 1 333.815 3.483 20 10 EGCDMN O=C([O-])[C@@]1(F)CC[N@H+](Cc2c3c(ccc2O)oc2c3CCCC2)C1 ZINC000833175060 601371921 /nfs/dbraw/zinc/37/19/21/601371921.db2.gz 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[O-]c1c(Br)cc(Cl)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000708216462 1298238276 /nfs/dbraw/zinc/23/82/76/1298238276.db2.gz UOVLRJMOBZKLHM-CQSZACIVSA-N 0 1 346.652 3.421 20 10 EGCDMN CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2[O-])C12CCC2 ZINC000713471341 1298271288 /nfs/dbraw/zinc/27/12/88/1298271288.db2.gz TXKJMYGQFOGALO-KGLIPLIRSA-N 0 1 326.234 3.202 20 10 EGCDMN CC[C@@H]([NH2+][C@H](CO)CC(F)F)c1cc(Br)ccc1[O-] ZINC000717825588 1298304035 /nfs/dbraw/zinc/30/40/35/1298304035.db2.gz ACQKIKDUFNDGBF-GXSJLCMTSA-N 0 1 338.192 3.212 20 10 EGCDMN CCc1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n[nH]1 ZINC000745829066 1298486903 /nfs/dbraw/zinc/48/69/03/1298486903.db2.gz CHEAYWMDLIDHNK-UHFFFAOYSA-N 0 1 343.475 3.158 20 10 EGCDMN CCN(Cc1cnc(CCOC)s1)Cc1ccc(N(C)C)cc1 ZINC000876522620 1298803639 /nfs/dbraw/zinc/80/36/39/1298803639.db2.gz XOTPLJLXLHOJHS-UHFFFAOYSA-N 0 1 333.501 3.420 20 10 EGCDMN [O-]c1c(F)c(F)ccc1C[NH+]1CCN(c2ccc(Cl)cn2)CC1 ZINC000876571400 1298837639 /nfs/dbraw/zinc/83/76/39/1298837639.db2.gz KHGYQDJKASXFNW-UHFFFAOYSA-N 0 1 339.773 3.041 20 10 EGCDMN Cc1cccc(NC(=O)N2CCN(Cc3c(C)cccc3O)CC2)c1 ZINC000876660608 1298905742 /nfs/dbraw/zinc/90/57/42/1298905742.db2.gz VZNROAAGZRTPDI-UHFFFAOYSA-N 0 1 339.439 3.359 20 10 EGCDMN CC(=O)c1cc(F)cc(CN(C)CCOc2ccccc2F)c1O ZINC000748051367 1298919537 /nfs/dbraw/zinc/91/95/37/1298919537.db2.gz RUDMRJOBMBQLEJ-UHFFFAOYSA-N 0 1 335.350 3.384 20 10 EGCDMN Cc1csc(C(C)(C)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877036507 1299125381 /nfs/dbraw/zinc/12/53/81/1299125381.db2.gz SVRPNVZAYHVBHY-UHFFFAOYSA-N 0 1 345.512 3.438 20 10 EGCDMN [O-]c1ccc2ccncc2c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000751598893 1299573274 /nfs/dbraw/zinc/57/32/74/1299573274.db2.gz LLPVIDCDNHOPFW-QGZVFWFLSA-N 0 1 342.439 3.100 20 10 EGCDMN CNC(=O)CCC[N@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000753804988 1300023423 /nfs/dbraw/zinc/02/34/23/1300023423.db2.gz HJVFKGHGHVVJRT-UHFFFAOYSA-N 0 1 326.396 3.250 20 10 EGCDMN CNC(=O)CCC[N@@H+](C)Cc1cc2oc3ccccc3c2cc1[O-] ZINC000753804988 1300023431 /nfs/dbraw/zinc/02/34/31/1300023431.db2.gz HJVFKGHGHVVJRT-UHFFFAOYSA-N 0 1 326.396 3.250 20 10 EGCDMN COc1cc(CN2CCCC[C@H]2C2OCCO2)c(O)c(C(C)(C)C)c1 ZINC000754732975 1300203864 /nfs/dbraw/zinc/20/38/64/1300203864.db2.gz YSEVNMNMPQAYKI-KRWDZBQOSA-N 0 1 349.471 3.426 20 10 EGCDMN C[C@H](N[C@H](C(N)=O)c1ccccc1)c1cc(Br)ccc1O ZINC000756381521 1300480684 /nfs/dbraw/zinc/48/06/84/1300480684.db2.gz MMCCLZDBQNDUPL-BONVTDFDSA-N 0 1 349.228 3.032 20 10 EGCDMN COCCOCCCC[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000756516142 1300513067 /nfs/dbraw/zinc/51/30/67/1300513067.db2.gz HPYVLIQIIFLTQG-GFCCVEGCSA-N 0 1 346.265 3.249 20 10 EGCDMN C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756584516 1300527244 /nfs/dbraw/zinc/52/72/44/1300527244.db2.gz VAWJFJOPZLYBTI-BHPKHCPMSA-N 0 1 334.435 3.316 20 10 EGCDMN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccc(Br)cc1[O-] ZINC000756629954 1300536221 /nfs/dbraw/zinc/53/62/21/1300536221.db2.gz SRSCIBXBWMWFGP-NEPJUHHUSA-N 0 1 327.266 3.147 20 10 EGCDMN 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JVNNBKHKSPCCJD-QMMMGPOBSA-N 0 1 342.155 3.212 20 10 EGCDMN Cc1ncc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(Br)cc1[O-] ZINC000825277699 1320323559 /nfs/dbraw/zinc/32/35/59/1320323559.db2.gz DNAGYKCCIZDDRQ-CQSZACIVSA-N 0 1 348.244 3.420 20 10 EGCDMN Cn1ccnc1[C@@H]1C[C@H]([NH2+]Cc2ccc3ccccc3c2[O-])CCO1 ZINC000825326309 1320327324 /nfs/dbraw/zinc/32/73/24/1320327324.db2.gz MSLINYBYSZQIFI-AEFFLSMTSA-N 0 1 337.423 3.289 20 10 EGCDMN C[C@@]1([NH2+]Cc2ccc(Br)cc2[O-])CCO[C@@H]1C1CC1 ZINC000825500473 1320343288 /nfs/dbraw/zinc/34/32/88/1320343288.db2.gz CLZICQSDZIXYPI-HUUCEWRRSA-N 0 1 326.234 3.202 20 10 EGCDMN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)C[C@@H](O)C(F)(F)F ZINC000825563460 1320347424 /nfs/dbraw/zinc/34/74/24/1320347424.db2.gz XSIRKCIDUDENLY-CQSZACIVSA-N 0 1 349.393 3.443 20 10 EGCDMN C[C@@H](C[NH2+]Cc1ccc(Br)cc1[O-])C(=O)OC(C)(C)C ZINC000826534999 1320386391 /nfs/dbraw/zinc/38/63/91/1320386391.db2.gz ORFARUQADLHWRI-JTQLQIEISA-N 0 1 344.249 3.222 20 10 EGCDMN CCOC(=O)C[C@H](NCc1c(O)ccc(Cl)c1F)C(F)(F)F 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EGCDMN Fc1cc(N2CCOCC2)ccc1CN1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001140660483 1378108167 /nfs/dbraw/zinc/10/81/67/1378108167.db2.gz TTWBSEJGIJEGCZ-GASCZTMLSA-N 0 1 340.389 3.139 20 10 EGCDMN Cc1c(O)ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1O ZINC001140749280 1378129128 /nfs/dbraw/zinc/12/91/28/1378129128.db2.gz VAZJVNUFZOARNQ-UHFFFAOYSA-N 0 1 346.858 3.377 20 10 EGCDMN CCN(CC)c1ccc(CN2CCO[C@@H](c3ccncc3)C2)c(O)c1 ZINC001140857075 1378159854 /nfs/dbraw/zinc/15/98/54/1378159854.db2.gz LKUWTRMTEKWQGF-HXUWFJFHSA-N 0 1 341.455 3.207 20 10 EGCDMN CN1CCOc2cc(CN3CCC(C(=O)OC(C)(C)C)CC3)ccc21 ZINC001141143413 1378248310 /nfs/dbraw/zinc/24/83/10/1378248310.db2.gz YFNOSYSPMWDAAK-UHFFFAOYSA-N 0 1 346.471 3.069 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])CC[C@]1(C)O ZINC001141367772 1378311378 /nfs/dbraw/zinc/31/13/78/1378311378.db2.gz PNKOTILHLBWJRS-OTYXRUKQSA-N 0 1 348.668 3.401 20 10 EGCDMN C[N@@H+](CCCNC(=O)OC(C)(C)C)Cc1cc(F)c(F)cc1[O-] ZINC001142512929 1378451268 /nfs/dbraw/zinc/45/12/68/1378451268.db2.gz QBLPVVGRJPZWCI-UHFFFAOYSA-N 0 1 330.375 3.017 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524953 1378453398 /nfs/dbraw/zinc/45/33/98/1378453398.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 0 1 344.405 3.234 20 10 EGCDMN [O-]c1cc(F)c(F)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001142524953 1378453399 /nfs/dbraw/zinc/45/33/99/1378453399.db2.gz QXOBXSPICVMESP-CALCHBBNSA-N 0 1 344.405 3.234 20 10 EGCDMN CCOc1ccc(N2CCN(Cc3ccc4cc[nH]c4n3)CC2)cc1 ZINC001144188278 1378695503 /nfs/dbraw/zinc/69/55/03/1378695503.db2.gz USLYAUYRGWYUII-UHFFFAOYSA-N 0 1 336.439 3.284 20 10 EGCDMN COC[C@@H]1CCCC[N@H+]1Cc1cc(Br)c(F)cc1[O-] ZINC001144299021 1378712811 /nfs/dbraw/zinc/71/28/11/1378712811.db2.gz OWOXZCCELNIULU-NSHDSACASA-N 0 1 332.213 3.295 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1[nH]nc2cc(F)ccc21 ZINC001154348851 1380261627 /nfs/dbraw/zinc/26/16/27/1380261627.db2.gz SJDUWNZTRONKGP-UHFFFAOYSA-N 0 1 340.402 3.430 20 10 EGCDMN COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(Br)cc1[O-])C2 ZINC001168242934 1383852037 /nfs/dbraw/zinc/85/20/37/1383852037.db2.gz FGWMNSDMRMQGKJ-OAHLLOKOSA-N 0 1 348.240 3.420 20 10 EGCDMN C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC001320133040 1386530230 /nfs/dbraw/zinc/53/02/30/1386530230.db2.gz MSFDTLBXTMSMHO-GFCCVEGCSA-N 0 1 346.814 3.122 20 10 EGCDMN Cc1cccc(CN2CCCC[C@@H]2C(=O)NCc2ccccc2O)c1 ZINC001321683377 1386955973 /nfs/dbraw/zinc/95/59/73/1386955973.db2.gz QGSXFCJBAMQDPD-LJQANCHMSA-N 0 1 338.451 3.372 20 10 EGCDMN Cc1cc(C(=O)N2CCN(C(C)(C)C)CC2)c(C)n1-c1ccccn1 ZINC001322021169 1387032304 /nfs/dbraw/zinc/03/23/04/1387032304.db2.gz IYFVQMXQFYOANS-UHFFFAOYSA-N 0 1 340.471 3.045 20 10 EGCDMN Cc1cccc(NCC[NH2+]Cc2c([O-])cccc2Br)n1 ZINC001332275276 1390073885 /nfs/dbraw/zinc/07/38/85/1390073885.db2.gz UOZTZEXGNDWMJJ-UHFFFAOYSA-N 0 1 336.233 3.060 20 10 EGCDMN C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001347392521 1391067556 /nfs/dbraw/zinc/06/75/56/1391067556.db2.gz SYDXUCAIWZTDTG-SNVBAGLBSA-N 0 1 344.249 3.365 20 10 EGCDMN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000325694540 971236920 /nfs/dbraw/zinc/23/69/20/971236920.db2.gz PKIPPWBAKNZKQG-INIZCTEOSA-N 0 1 339.313 3.384 20 10 EGCDMN CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC001593710112 954180212 /nfs/dbraw/zinc/18/02/12/954180212.db2.gz ALZRDZLQFXNXOT-GFCCVEGCSA-N 0 1 326.387 3.108 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2ccc(C(=O)[O-])s2)cc1 ZINC000903690960 956872261 /nfs/dbraw/zinc/87/22/61/956872261.db2.gz YWUYQANUADSHFU-UHFFFAOYSA-N 0 1 334.441 3.023 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000840997663 979300723 /nfs/dbraw/zinc/30/07/23/979300723.db2.gz XRRBFUZXGNHDGS-CQSZACIVSA-N 0 1 330.350 3.211 20 10 EGCDMN COc1ccc(N(C)CC[N@@H+](C)Cc2csc(C(=O)[O-])c2)cc1 ZINC001599583961 993587679 /nfs/dbraw/zinc/58/76/79/993587679.db2.gz KLTBBHFPIPLNKD-UHFFFAOYSA-N 0 1 334.441 3.023 20 10 EGCDMN Oc1ccc(F)cc1CN1CCC(O)(c2c(F)cccc2F)CC1 ZINC000190026796 455273544 /nfs/dbraw/zinc/27/35/44/455273544.db2.gz LJOICJVDUHKSBF-UHFFFAOYSA-N 0 1 337.341 3.293 20 10 EGCDMN CC(C)N(C(=O)CN(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC000070976191 454191159 /nfs/dbraw/zinc/19/11/59/454191159.db2.gz ROPNMEPDDKNRLK-GOSISDBHSA-N 0 1 348.487 3.019 20 10 EGCDMN COc1ccc2[nH]cc(C3=CCN(c4ncnc5[nH]cnc54)CC3)c2c1 ZINC000072062621 454270460 /nfs/dbraw/zinc/27/04/60/454270460.db2.gz JPALHLTUVQQXHS-UHFFFAOYSA-N 0 1 346.394 3.137 20 10 EGCDMN O=C(CC1CC[NH+](Cc2cc(Cl)ccc2[O-])CC1)N1CCCC1 ZINC000092056182 454510993 /nfs/dbraw/zinc/51/09/93/454510993.db2.gz CSMNNISQHOBJIF-UHFFFAOYSA-N 0 1 336.863 3.270 20 10 EGCDMN COc1cccc(CN(C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000093889628 454744422 /nfs/dbraw/zinc/74/44/22/454744422.db2.gz VHDACGZBHQZVCV-ZAMGYDSWSA-N 0 1 333.453 3.331 20 10 EGCDMN CCOC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177172412 454832406 /nfs/dbraw/zinc/83/24/06/454832406.db2.gz XUPIASMJPMUBNE-ZDUSSCGKSA-N 0 1 325.836 3.497 20 10 EGCDMN CCOC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000177172412 454832408 /nfs/dbraw/zinc/83/24/08/454832408.db2.gz XUPIASMJPMUBNE-ZDUSSCGKSA-N 0 1 325.836 3.497 20 10 EGCDMN Cc1n[nH]cc1CCC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000184978892 455480553 /nfs/dbraw/zinc/48/05/53/455480553.db2.gz AGTLAZJRIXJZNC-NSHDSACASA-N 0 1 338.249 3.470 20 10 EGCDMN C[C@@](O)(C[NH2+]Cc1c([O-])cccc1Cl)c1ccc(F)cc1F ZINC000114509289 454958869 /nfs/dbraw/zinc/95/88/69/454958869.db2.gz GKRXOSRNVLJIKO-MRXNPFEDSA-N 0 1 327.758 3.321 20 10 EGCDMN C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1cc(Cl)ccc1[O-] ZINC000185079087 455498245 /nfs/dbraw/zinc/49/82/45/455498245.db2.gz PPVYBUSNXUFKRP-ZDUSSCGKSA-N 0 1 332.831 3.355 20 10 EGCDMN [O-]c1ccc(Cl)c(F)c1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000191272627 455473928 /nfs/dbraw/zinc/47/39/28/455473928.db2.gz DOTSDHWDHVOAKA-UHFFFAOYSA-N 0 1 341.839 3.354 20 10 EGCDMN Cc1nn(C)c(C)c1C[NH2+][C@H](C)c1cc(Br)ccc1[O-] ZINC000185276605 455532857 /nfs/dbraw/zinc/53/28/57/455532857.db2.gz AZACPSOQKTZXPZ-SECBINFHSA-N 0 1 338.249 3.356 20 10 EGCDMN C[C@@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CC[S@@](=O)C1 ZINC000277569233 455601835 /nfs/dbraw/zinc/60/18/35/455601835.db2.gz SMLLWYOSWKZCJL-IQMFZBJNSA-N 0 1 329.465 3.260 20 10 EGCDMN CC(C)n1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000193438580 455759120 /nfs/dbraw/zinc/75/91/20/455759120.db2.gz BEDWFJKSPOFCSA-KRWDZBQOSA-N 0 1 327.476 3.305 20 10 EGCDMN O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1c(F)ccc(O)c1O ZINC000294898532 455830655 /nfs/dbraw/zinc/83/06/55/455830655.db2.gz RKUWQWBXQYSZDS-CYBMUJFWSA-N 0 1 347.342 3.047 20 10 EGCDMN CCCN(Cc1ccccc1O)C(=O)c1n[nH]c(C(C)C)c1[N+](=O)[O-] ZINC000269453638 455848409 /nfs/dbraw/zinc/84/84/09/455848409.db2.gz GSZVLAAQQPLLES-UHFFFAOYSA-N 0 1 346.387 3.199 20 10 EGCDMN COc1c([O-])c(C[NH2+][C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000278935125 455853593 /nfs/dbraw/zinc/85/35/93/455853593.db2.gz WVQBGVABIQEBMA-SECBINFHSA-N 0 1 338.310 3.438 20 10 EGCDMN Cc1ccnc(-c2n[nH]c([C@H](C)N[C@H]3CCc4cccc(O)c43)n2)c1 ZINC000296447228 455941574 /nfs/dbraw/zinc/94/15/74/455941574.db2.gz MZPZJXSHNLAPFF-JSGCOSHPSA-N 0 1 335.411 3.219 20 10 EGCDMN Cc1ccnc([C@H](C)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000286023315 455961663 /nfs/dbraw/zinc/96/16/63/455961663.db2.gz JVFVJYHXTRBYBI-HNNXBMFYSA-N 0 1 343.446 3.341 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CCCO)CC2)c1[O-] ZINC000272953444 456122852 /nfs/dbraw/zinc/12/28/52/456122852.db2.gz MTUKPGGSKLSVES-UHFFFAOYSA-N 0 1 325.836 3.233 20 10 EGCDMN O=C(CC1CC[NH+](Cc2c([O-])cccc2Cl)CC1)N1CCCC1 ZINC000271143542 456139625 /nfs/dbraw/zinc/13/96/25/456139625.db2.gz WSPNLAIYXKEQCS-UHFFFAOYSA-N 0 1 336.863 3.270 20 10 EGCDMN C[C@@H]([NH2+][C@H]1CCCN(CCCO)C1)c1ccc2ccccc2c1[O-] ZINC000297439783 456220968 /nfs/dbraw/zinc/22/09/68/456220968.db2.gz VZLGSKBFIIKPKK-WBVHZDCISA-N 0 1 328.456 3.043 20 10 EGCDMN COCCOCCOCCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000274680720 456263669 /nfs/dbraw/zinc/26/36/69/456263669.db2.gz RFDVVPWNDLYGQD-INIZCTEOSA-N 0 1 347.455 3.266 20 10 EGCDMN COc1ccc(CN(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000283396995 456773288 /nfs/dbraw/zinc/77/32/88/456773288.db2.gz DPGMNMKLMIVJNG-UHFFFAOYSA-N 0 1 326.444 3.108 20 10 EGCDMN CC[C@H](N[C@H](C)c1nncn1C)c1cc(Br)ccc1O ZINC000037017381 522746192 /nfs/dbraw/zinc/74/61/92/522746192.db2.gz IJTPXQGYCQUZBO-SKDRFNHKSA-N 0 1 339.237 3.085 20 10 EGCDMN Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccccc2O)cc1C ZINC000731843421 575211881 /nfs/dbraw/zinc/21/18/81/575211881.db2.gz FDUOLXSYZXFATQ-MRXNPFEDSA-N 0 1 326.440 3.318 20 10 EGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000737164275 576127432 /nfs/dbraw/zinc/12/74/32/576127432.db2.gz IGBYERUCPHEVKZ-CQSZACIVSA-N 0 1 343.423 3.492 20 10 EGCDMN CCN(C)c1ccc(CN2CCC[C@H]2C(=O)NCc2ccco2)cc1 ZINC000741752671 576717173 /nfs/dbraw/zinc/71/71/73/576717173.db2.gz DYFZKAFPJQQCHP-IBGZPJMESA-N 0 1 341.455 3.017 20 10 EGCDMN COc1ccc(N2CCN(Cc3cc(C)ccc3OC)CC2)cc1 ZINC000742843330 576796458 /nfs/dbraw/zinc/79/64/58/576796458.db2.gz BXWUHZNVUATRGS-UHFFFAOYSA-N 0 1 326.440 3.334 20 10 EGCDMN CC1=C(C(=O)[O-])C[C@@H](C[N@@H+](Cc2ccccc2O)C2CCCC2)O1 ZINC000833583288 605338005 /nfs/dbraw/zinc/33/80/05/605338005.db2.gz JDLNYMRONKVCRK-INIZCTEOSA-N 0 1 331.412 3.284 20 10 EGCDMN COc1ccc(Cl)cc1CN(C)Cc1cc2c(cc1O)OCO2 ZINC000008197443 1291099002 /nfs/dbraw/zinc/09/90/02/1291099002.db2.gz KMPGLIIQGRXDCX-UHFFFAOYSA-N 0 1 335.787 3.415 20 10 EGCDMN COc1cccnc1CN[C@@H](C)c1cc(Br)ccc1O ZINC000834906928 1293172119 /nfs/dbraw/zinc/17/21/19/1293172119.db2.gz UKFXMONMFWTCTK-JTQLQIEISA-N 0 1 337.217 3.409 20 10 EGCDMN CN(Cc1ccccc1O)[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000115543718 1293190920 /nfs/dbraw/zinc/19/09/20/1293190920.db2.gz JYDQGFQTIOBOTL-KRWDZBQOSA-N 0 1 328.387 3.159 20 10 EGCDMN CC(C)N(C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000133589561 1293748580 /nfs/dbraw/zinc/74/85/80/1293748580.db2.gz RATWWZIVNIHONI-QGZVFWFLSA-N 0 1 331.504 3.364 20 10 EGCDMN CC(C)N(C)C(=O)[C@@H](C)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000133589561 1293748584 /nfs/dbraw/zinc/74/85/84/1293748584.db2.gz RATWWZIVNIHONI-QGZVFWFLSA-N 0 1 331.504 3.364 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000133634169 1293749534 /nfs/dbraw/zinc/74/95/34/1293749534.db2.gz COVBSMVPHSFKBP-CQSZACIVSA-N 0 1 340.851 3.439 20 10 EGCDMN Cc1cc(C(=O)N[C@H](C)c2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000175933319 1294581333 /nfs/dbraw/zinc/58/13/33/1294581333.db2.gz LERSMVFMMUYGCY-LLVKDONJSA-N 0 1 343.818 3.357 20 10 EGCDMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177163282 1294656889 /nfs/dbraw/zinc/65/68/89/1294656889.db2.gz DYZLTRIRYPZJDO-CVEARBPZSA-N 0 1 325.836 3.374 20 10 EGCDMN CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177163282 1294656900 /nfs/dbraw/zinc/65/69/00/1294656900.db2.gz DYZLTRIRYPZJDO-CVEARBPZSA-N 0 1 325.836 3.374 20 10 EGCDMN CC[C@H](O)[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000177163282 1294656907 /nfs/dbraw/zinc/65/69/07/1294656907.db2.gz DYZLTRIRYPZJDO-CVEARBPZSA-N 0 1 325.836 3.374 20 10 EGCDMN CC(=O)c1cc(F)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1[O-] ZINC000180455670 1294890311 /nfs/dbraw/zinc/89/03/11/1294890311.db2.gz QOBPNZXDSXENFR-JTQLQIEISA-N 0 1 332.331 3.493 20 10 EGCDMN N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1ccc(O)cc1 ZINC000182405891 1295044040 /nfs/dbraw/zinc/04/40/40/1295044040.db2.gz KHOGHIKKXQWSKX-UHFFFAOYSA-N 0 1 342.298 3.083 20 10 EGCDMN COc1ccc(O)c(CN2CCN([C@H](C)c3ccsc3)CC2)c1 ZINC000184974257 1295232014 /nfs/dbraw/zinc/23/20/14/1295232014.db2.gz QQLPNSXNXXMWCU-CQSZACIVSA-N 0 1 332.469 3.341 20 10 EGCDMN Cc1csc(CC[NH2+]Cc2cc(Br)ccc2[O-])n1 ZINC000227437172 1296143415 /nfs/dbraw/zinc/14/34/15/1296143415.db2.gz BDJWEDWAXXOKCY-UHFFFAOYSA-N 0 1 327.247 3.252 20 10 EGCDMN CCN(CC)c1ccc(CN2CCS[C@@H]3COCC[C@H]32)cc1F ZINC000246776912 1296369689 /nfs/dbraw/zinc/36/96/89/1296369689.db2.gz QBWDCMFAUJLLOX-QZTJIDSGSA-N 0 1 338.492 3.378 20 10 EGCDMN COC[C@@H]1C[N@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000249989427 1296454262 /nfs/dbraw/zinc/45/42/62/1296454262.db2.gz ZQROHUPPKFDAJM-KGLIPLIRSA-N 0 1 345.439 3.253 20 10 EGCDMN COC[C@@H]1C[N@@H+](Cc2c3c(ccc2[O-])oc2c3CCCC2)C[C@@H](C)O1 ZINC000249989427 1296454266 /nfs/dbraw/zinc/45/42/66/1296454266.db2.gz ZQROHUPPKFDAJM-KGLIPLIRSA-N 0 1 345.439 3.253 20 10 EGCDMN Cc1ccccc1/C=C1/SC(=S)N(C2CCN(C)CC2)C1=O ZINC000255292571 1296515483 /nfs/dbraw/zinc/51/54/83/1296515483.db2.gz DQJVNWTVHWTERZ-RVDMUPIBSA-N 0 1 332.494 3.290 20 10 EGCDMN CCCOc1ccc(CN[C@@H](C)C(=O)NCc2ccco2)cc1C ZINC000873051241 1297249037 /nfs/dbraw/zinc/24/90/37/1297249037.db2.gz GDIYWMBIIJGGDJ-HNNXBMFYSA-N 0 1 330.428 3.171 20 10 EGCDMN COC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708139199 1298237973 /nfs/dbraw/zinc/23/79/73/1298237973.db2.gz FZYULCJLPXIYEV-VIFPVBQESA-N 0 1 334.641 3.276 20 10 EGCDMN CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]Cc2c([O-])cccc2Cl)C1 ZINC000715138728 1298277933 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CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2[O-])C1 ZINC000877795352 1299560931 /nfs/dbraw/zinc/56/09/31/1299560931.db2.gz HOYPUAOBPGKXFD-GFCCVEGCSA-N 0 1 328.250 3.138 20 10 EGCDMN C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCSC1 ZINC000755789044 1300396668 /nfs/dbraw/zinc/39/66/68/1300396668.db2.gz ICYLYNFNWMJJPM-AWEZNQCLSA-N 0 1 343.448 3.266 20 10 EGCDMN C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)c1cc(Br)ccc1[O-] ZINC000756495323 1300507085 /nfs/dbraw/zinc/50/70/85/1300507085.db2.gz PZGHHPMEWWUARY-QWRGUYRKSA-N 0 1 336.233 3.227 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCN(CC2CC2)C1)c1ccc(Br)cc1[O-] ZINC000756555624 1300521730 /nfs/dbraw/zinc/52/17/30/1300521730.db2.gz SZOOEUHKESDSEW-SMDDNHRTSA-N 0 1 339.277 3.290 20 10 EGCDMN C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)c2c1c(F)ccc2[O-] ZINC000756584539 1300527074 /nfs/dbraw/zinc/52/70/74/1300527074.db2.gz VAWJFJOPZLYBTI-OSFYFWSMSA-N 0 1 334.435 3.316 20 10 EGCDMN C[C@H]([NH2+]C1CN(C(=O)OC(C)(C)C)C1)c1cc(Cl)ccc1[O-] ZINC000756650335 1300541134 /nfs/dbraw/zinc/54/11/34/1300541134.db2.gz XDFCLROCZOZGFU-JTQLQIEISA-N 0 1 326.824 3.316 20 10 EGCDMN CCOc1ccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c(O)c1 ZINC000761216332 1301421643 /nfs/dbraw/zinc/42/16/43/1301421643.db2.gz OFZVZRRTHQQKFG-UHFFFAOYSA-N 0 1 348.487 3.260 20 10 EGCDMN Oc1ccc(Br)cc1CN1CCOCC2(CCC2)C1 ZINC000761225012 1301424329 /nfs/dbraw/zinc/42/43/29/1301424329.db2.gz FMTXTKXOHJTOPN-UHFFFAOYSA-N 0 1 326.234 3.157 20 10 EGCDMN Cc1cc(C[C@@H](C)[NH2+]Cc2cc(Br)cc(F)c2[O-])n[nH]1 ZINC000883049539 1302222874 /nfs/dbraw/zinc/22/28/74/1302222874.db2.gz OZGACSBUZGETHP-MRVPVSSYSA-N 0 1 342.212 3.046 20 10 EGCDMN NC(=O)c1ccc(C[N@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768440067 1302905272 /nfs/dbraw/zinc/90/52/72/1302905272.db2.gz NJYYELLHZKDMJZ-UHFFFAOYSA-N 0 1 330.815 3.309 20 10 EGCDMN NC(=O)c1ccc(C[N@@H+](Cc2cc(Cl)ccc2[O-])C2CC2)cc1 ZINC000768440067 1302905281 /nfs/dbraw/zinc/90/52/81/1302905281.db2.gz NJYYELLHZKDMJZ-UHFFFAOYSA-N 0 1 330.815 3.309 20 10 EGCDMN Oc1cc2c(cc1CN1CCC[C@H]1c1ccc(F)c(F)c1)[C@@H](O)CO2 ZINC000768447843 1302906157 /nfs/dbraw/zinc/90/61/57/1302906157.db2.gz PXRYTOVZXCQSHH-WMZOPIPTSA-N 0 1 347.361 3.433 20 10 EGCDMN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768447925 1302909458 /nfs/dbraw/zinc/90/94/58/1302909458.db2.gz RQJCUDCELMPLRN-TZIWHRDSSA-N 0 1 339.435 3.372 20 10 EGCDMN C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768447925 1302909465 /nfs/dbraw/zinc/90/94/65/1302909465.db2.gz RQJCUDCELMPLRN-TZIWHRDSSA-N 0 1 339.435 3.372 20 10 EGCDMN CN(C)c1ccc(CN2CCC([C@@](C)(O)C(F)(F)F)CC2)cc1 ZINC000768532711 1302927577 /nfs/dbraw/zinc/92/75/77/1302927577.db2.gz OPMIWRRJHPIVCR-MRXNPFEDSA-N 0 1 330.394 3.278 20 10 EGCDMN COc1ccc(N2CCN(Cc3ccc(N(C)C)cc3)CC2)cc1F ZINC000770300990 1303245893 /nfs/dbraw/zinc/24/58/93/1303245893.db2.gz JPDNSYUZIZYKJQ-UHFFFAOYSA-N 0 1 343.446 3.223 20 10 EGCDMN CCN(C)c1ccc(CN[C@H](C[S@@](C)=O)c2ccccc2)cc1 ZINC000773809327 1303740721 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QCBRHBHVPJGSLI-LBPRGKRZSA-N 0 1 328.368 3.256 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2Cc3ccccc3C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000774909447 1303876023 /nfs/dbraw/zinc/87/60/23/1303876023.db2.gz QCBRHBHVPJGSLI-LBPRGKRZSA-N 0 1 328.368 3.256 20 10 EGCDMN COc1c([O-])c(C[NH2+]Cc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000774974897 1303884971 /nfs/dbraw/zinc/88/49/71/1303884971.db2.gz HJQBATJDGWAUMZ-UHFFFAOYSA-N 0 1 328.324 3.345 20 10 EGCDMN CN(C)c1ccc(CN2CCC(Oc3ncccc3F)CC2)cc1F ZINC000775205853 1303924576 /nfs/dbraw/zinc/92/45/76/1303924576.db2.gz KDBKRECQRFBVMH-UHFFFAOYSA-N 0 1 347.409 3.469 20 10 EGCDMN COc1cc2c(cc1CN[C@@H](C)c1ccc(N(C)C)cc1)OCO2 ZINC000775365673 1303947106 /nfs/dbraw/zinc/94/71/06/1303947106.db2.gz VXIWEWNILQJFBW-ZDUSSCGKSA-N 0 1 328.412 3.341 20 10 EGCDMN C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(N(C)C)cc1 ZINC000775410228 1303959414 /nfs/dbraw/zinc/95/94/14/1303959414.db2.gz KHVBNBPGQZXTSE-CYBMUJFWSA-N 0 1 335.407 3.085 20 10 EGCDMN CC[C@@H]([NH2+]C[C@H](C(C)C)N1CCOCC1)c1cc(Cl)ccc1[O-] ZINC000775484293 1303970681 /nfs/dbraw/zinc/97/06/81/1303970681.db2.gz AOQYYXDVGGFTEO-IAGOWNOFSA-N 0 1 340.895 3.443 20 10 EGCDMN CC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cc(Br)ccc1[O-] ZINC000775523867 1303978628 /nfs/dbraw/zinc/97/86/28/1303978628.db2.gz OGJRKNVFKKANIA-TZMCWYRMSA-N 0 1 328.250 3.356 20 10 EGCDMN Cc1cccc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)c1O ZINC000775647973 1304003491 /nfs/dbraw/zinc/00/34/91/1304003491.db2.gz KMGONOBDOIRANC-GOSISDBHSA-N 0 1 325.408 3.408 20 10 EGCDMN COC(=O)C1([N@@H+](C)Cc2cc(Cl)cc(F)c2[O-])CCCCC1 ZINC000775694112 1304016825 /nfs/dbraw/zinc/01/68/25/1304016825.db2.gz GAXFBSRJGRVYFB-UHFFFAOYSA-N 0 1 329.799 3.492 20 10 EGCDMN C[C@@H](N1CCN(Cc2cc(Cl)cc(F)c2O)CC1)C(F)(F)F ZINC000775735571 1304024669 /nfs/dbraw/zinc/02/46/69/1304024669.db2.gz SLRODQFADDIJOI-SECBINFHSA-N 0 1 340.748 3.253 20 10 EGCDMN Cc1cc(NS(=O)(=O)c2c(C)ccc3cccnc32)ccc1O ZINC000777939893 1304369497 /nfs/dbraw/zinc/36/94/97/1304369497.db2.gz HWINDKNCJLMZKX-UHFFFAOYSA-N 0 1 328.393 3.358 20 10 EGCDMN CC[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cn1 ZINC000779022499 1304519899 /nfs/dbraw/zinc/51/98/99/1304519899.db2.gz CLHHVSNQTQDOMZ-GOSISDBHSA-N 0 1 329.419 3.298 20 10 EGCDMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(SC(F)F)cc1 ZINC000781549793 1304840295 /nfs/dbraw/zinc/84/02/95/1304840295.db2.gz VTKZCVOEFIAQGC-GXDHUFHOSA-N 0 1 346.358 3.463 20 10 EGCDMN Cc1cc(F)ncc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000891468279 1305058699 /nfs/dbraw/zinc/05/86/99/1305058699.db2.gz UTHHXOSTZLXGCK-QGZVFWFLSA-N 0 1 330.403 3.416 20 10 EGCDMN Cc1cc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cnc1F ZINC000891467733 1305058877 /nfs/dbraw/zinc/05/88/77/1305058877.db2.gz MLNKWIWHALIAMR-QGZVFWFLSA-N 0 1 330.403 3.416 20 10 EGCDMN Cc1nccnc1[C@@H](C)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000783222798 1305064887 /nfs/dbraw/zinc/06/48/87/1305064887.db2.gz GFRLGEJHTBPEDQ-GDBMZVCRSA-N 0 1 326.444 3.033 20 10 EGCDMN COCCc1ccccc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000786163670 1305527715 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/nfs/dbraw/zinc/35/73/34/1320357334.db2.gz RKHYRLJVAWZRBZ-HNNXBMFYSA-N 0 1 328.250 3.282 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)c2ccccc2)cc1 ZINC000826019690 1320379029 /nfs/dbraw/zinc/37/90/29/1320379029.db2.gz JXEWKVPZCJELCR-LJQANCHMSA-N 0 1 325.456 3.191 20 10 EGCDMN COc1cc(C)nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000839540475 1320934925 /nfs/dbraw/zinc/93/49/25/1320934925.db2.gz AKQDOWQBEOJHPG-INIZCTEOSA-N 0 1 341.455 3.086 20 10 EGCDMN Cc1ccc([C@H](O)C[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000858104871 1328683826 /nfs/dbraw/zinc/68/38/26/1328683826.db2.gz AUPFNESNBMPWQA-MRXNPFEDSA-N 0 1 336.229 3.286 20 10 EGCDMN CC[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCCO1 ZINC000805232241 1317329908 /nfs/dbraw/zinc/32/99/08/1317329908.db2.gz PQRSSVNXUIMUSW-OLZOCXBDSA-N 0 1 347.242 3.456 20 10 EGCDMN C[C@@H](NC(=O)NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCCOC1 ZINC000805273334 1317335207 /nfs/dbraw/zinc/33/52/07/1317335207.db2.gz LYWZJWQVKDJPEA-ZJUUUORDSA-N 0 1 347.242 3.313 20 10 EGCDMN Fc1ccc(-n2cc(CNCCCSc3nccs3)nn2)cc1 ZINC000858140211 1328693752 /nfs/dbraw/zinc/69/37/52/1328693752.db2.gz AGCNKNOSYNCWGJ-UHFFFAOYSA-N 0 1 349.460 3.135 20 10 EGCDMN COc1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000806204642 1317471523 /nfs/dbraw/zinc/47/15/23/1317471523.db2.gz LUIFYLBAQXFILO-UHFFFAOYSA-N 0 1 342.182 3.424 20 10 EGCDMN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1c([O-])cccc1Br ZINC000858168114 1328701841 /nfs/dbraw/zinc/70/18/41/1328701841.db2.gz NLQZXVWQMHJGJL-OAHLLOKOSA-N 0 1 328.250 3.186 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)cc1F ZINC000901890330 1317493443 /nfs/dbraw/zinc/49/34/43/1317493443.db2.gz KIWORCNNTLMFSG-SJORKVTESA-N 0 1 342.414 3.192 20 10 EGCDMN C[C@@H]1C(=O)CC[C@@H]1CC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836150 1317590126 /nfs/dbraw/zinc/59/01/26/1317590126.db2.gz PMAGYNQTGHTQSZ-DTWKUNHWSA-N 0 1 330.211 3.321 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1c[nH]nc1C1CC1 ZINC000807840965 1317590951 /nfs/dbraw/zinc/59/09/51/1317590951.db2.gz OMHZRGQZLYVRHZ-UHFFFAOYSA-N 0 1 326.183 3.230 20 10 EGCDMN COCc1cccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808114619 1317626809 /nfs/dbraw/zinc/62/68/09/1317626809.db2.gz CSIODEIUTHYPRZ-UHFFFAOYSA-N 0 1 345.779 3.132 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC000808436033 1317677464 /nfs/dbraw/zinc/67/74/64/1317677464.db2.gz IRFFHIUPQIFBNR-ZDUSSCGKSA-N 0 1 348.830 3.146 20 10 EGCDMN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CNCCC1(F)F ZINC000903955211 1317756693 /nfs/dbraw/zinc/75/66/93/1317756693.db2.gz MUNPLFXXSYYOCS-VIFPVBQESA-N 0 1 325.186 3.033 20 10 EGCDMN Oc1ccc(-c2ccccc2)cc1CN1CCOC[C@H]1[C@H]1CCCO1 ZINC000809698098 1317868120 /nfs/dbraw/zinc/86/81/20/1317868120.db2.gz VTOIQSNUKFCZGI-PZJWPPBQSA-N 0 1 339.435 3.439 20 10 EGCDMN CCOc1cccc(CN(CC)CC(=O)N2CCCCCC2)c1O ZINC000809714020 1317872878 /nfs/dbraw/zinc/87/28/78/1317872878.db2.gz VBCJCILLLJVRBM-UHFFFAOYSA-N 0 1 334.460 3.015 20 10 EGCDMN COc1c([O-])c(C[N@@H+]2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728804 1317880540 /nfs/dbraw/zinc/88/05/40/1317880540.db2.gz IIMNLIOBWGXMAL-CQSZACIVSA-N 0 1 329.356 3.041 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CCC[C@@H]2c2cccnc2)ccc1[N+](=O)[O-] ZINC000809728804 1317880545 /nfs/dbraw/zinc/88/05/45/1317880545.db2.gz IIMNLIOBWGXMAL-CQSZACIVSA-N 0 1 329.356 3.041 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810207070 1317976532 /nfs/dbraw/zinc/97/65/32/1317976532.db2.gz FUUWYHPEONLELU-OAHLLOKOSA-N 0 1 344.377 3.463 20 10 EGCDMN CC[C@H]([NH2+]CCN1CCOC[C@H]1C)c1ccc(C(F)(F)F)cc1[O-] ZINC000810215569 1317977776 /nfs/dbraw/zinc/97/77/76/1317977776.db2.gz HBJZABNKEIGBKA-DOMZBBRYSA-N 0 1 346.393 3.172 20 10 EGCDMN CC[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810218316 1317978919 /nfs/dbraw/zinc/97/89/19/1317978919.db2.gz IDNOQEVHPNBFBW-CYBMUJFWSA-N 0 1 344.377 3.497 20 10 EGCDMN CC[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810235084 1317982354 /nfs/dbraw/zinc/98/23/54/1317982354.db2.gz LTOFPBZUZJWREY-GJZGRUSLSA-N 0 1 347.377 3.239 20 10 EGCDMN C[C@H]([NH2+]Cc1ccc(CC(N)=O)cc1)c1ccc2ccccc2c1[O-] ZINC000810242403 1317985827 /nfs/dbraw/zinc/98/58/27/1317985827.db2.gz QKSJCMZHSGCQLK-AWEZNQCLSA-N 0 1 334.419 3.424 20 10 EGCDMN CC[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000811506980 1318187016 /nfs/dbraw/zinc/18/70/16/1318187016.db2.gz NBQRSFSXPAMNBF-OAHLLOKOSA-N 0 1 346.393 3.174 20 10 EGCDMN CC1(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510618 1318189058 /nfs/dbraw/zinc/18/90/58/1318189058.db2.gz LEQFFCFXZBIWMY-ZFWWWQNUSA-N 0 1 340.807 3.343 20 10 EGCDMN CC1(C)C[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1[C@@H]1CCCO1 ZINC000811510618 1318189062 /nfs/dbraw/zinc/18/90/62/1318189062.db2.gz LEQFFCFXZBIWMY-ZFWWWQNUSA-N 0 1 340.807 3.343 20 10 EGCDMN O=C([C@@H]1CCC[N@@H+](Cc2ccc3ccccc3c2[O-])C1)N1CCCC1 ZINC000816510127 1319168719 /nfs/dbraw/zinc/16/87/19/1319168719.db2.gz NNCWAIVIXLWOSX-GOSISDBHSA-N 0 1 338.451 3.380 20 10 EGCDMN O=C([C@@H]1CCC[N@H+](Cc2ccc3ccccc3c2[O-])C1)N1CCCC1 ZINC000816510127 1319168722 /nfs/dbraw/zinc/16/87/22/1319168722.db2.gz NNCWAIVIXLWOSX-GOSISDBHSA-N 0 1 338.451 3.380 20 10 EGCDMN C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816516477 1319173470 /nfs/dbraw/zinc/17/34/70/1319173470.db2.gz GYHJWNBBGIJPAY-CYBMUJFWSA-N 0 1 326.843 3.348 20 10 EGCDMN CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])C1 ZINC000816551771 1319181234 /nfs/dbraw/zinc/18/12/34/1319181234.db2.gz OGVZHSPWWXZJLL-NVXWUHKLSA-N 0 1 326.440 3.282 20 10 EGCDMN CC(C)[C@]1(CO)CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000816662326 1319203560 /nfs/dbraw/zinc/20/35/60/1319203560.db2.gz MLTZYTJFGGNZOK-MRXNPFEDSA-N 0 1 342.823 3.184 20 10 EGCDMN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817958160 1319477127 /nfs/dbraw/zinc/47/71/27/1319477127.db2.gz IKRVQEJFSUVFNB-UFBFGSQYSA-N 0 1 335.673 3.442 20 10 EGCDMN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1cc(Br)c(F)cc1[O-] ZINC000818615413 1319571760 /nfs/dbraw/zinc/57/17/60/1319571760.db2.gz NXJXEURRDGADOX-ZEGGKSINSA-N 0 1 331.229 3.214 20 10 EGCDMN Cc1cc(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000819719400 1319778237 /nfs/dbraw/zinc/77/82/37/1319778237.db2.gz BBMZVUBZVYEWLI-INIZCTEOSA-N 0 1 349.438 3.150 20 10 EGCDMN CCn1nnc(C)c1CNCc1ccc(N2CCC(C)CC2)cc1 ZINC000823837296 1320210600 /nfs/dbraw/zinc/21/06/00/1320210600.db2.gz VGRBBJCLSGVZDQ-UHFFFAOYSA-N 0 1 327.476 3.133 20 10 EGCDMN CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C[C@H]1C ZINC000824815041 1320287942 /nfs/dbraw/zinc/28/79/42/1320287942.db2.gz HUSWRDNZMCDTTH-BXUZGUMPSA-N 0 1 328.250 3.320 20 10 EGCDMN Cc1cccc(OC[C@H](O)C[NH2+]Cc2cc(Cl)c(C)cc2[O-])c1 ZINC000825138635 1320314607 /nfs/dbraw/zinc/31/46/07/1320314607.db2.gz RLHSXILXQFIFRQ-OAHLLOKOSA-N 0 1 335.831 3.192 20 10 EGCDMN O=C(c1c(F)ccc(O)c1O)N1CC2(CCC2)c2c1cccc2F ZINC000825682896 1320355433 /nfs/dbraw/zinc/35/54/33/1320355433.db2.gz FRNJTOFPLMTDGD-UHFFFAOYSA-N 0 1 331.318 3.458 20 10 EGCDMN Cc1cc(O)c(CN2C[C@@]3(CCOC3)OC(C)(C)C2)cc1Cl ZINC000825753902 1320360493 /nfs/dbraw/zinc/36/04/93/1320360493.db2.gz WMXOCEKHNDFUJO-QGZVFWFLSA-N 0 1 325.836 3.124 20 10 EGCDMN C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1Cc1ccc(Br)cc1[O-] ZINC000825885408 1320368380 /nfs/dbraw/zinc/36/83/80/1320368380.db2.gz FYTXGAILSZIIHD-IUODEOHRSA-N 0 1 339.277 3.213 20 10 EGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3O)C2)c1 ZINC000825955616 1320374592 /nfs/dbraw/zinc/37/45/92/1320374592.db2.gz PNYLLOSRMYZEHC-AWEZNQCLSA-N 0 1 336.233 3.107 20 10 EGCDMN Cc1cnn([C@H]2CC[N@H+](Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825955616 1320374596 /nfs/dbraw/zinc/37/45/96/1320374596.db2.gz PNYLLOSRMYZEHC-AWEZNQCLSA-N 0 1 336.233 3.107 20 10 EGCDMN Cc1cnn([C@H]2CC[N@@H+](Cc3ccc(Br)cc3[O-])C2)c1 ZINC000825955616 1320374600 /nfs/dbraw/zinc/37/46/00/1320374600.db2.gz PNYLLOSRMYZEHC-AWEZNQCLSA-N 0 1 336.233 3.107 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000826065013 1320381299 /nfs/dbraw/zinc/38/12/99/1320381299.db2.gz SKDQDFFFZMMBHQ-ZDUSSCGKSA-N 0 1 328.275 3.482 20 10 EGCDMN [O-]c1cc(Br)ccc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000826065013 1320381301 /nfs/dbraw/zinc/38/13/01/1320381301.db2.gz SKDQDFFFZMMBHQ-ZDUSSCGKSA-N 0 1 328.275 3.482 20 10 EGCDMN Oc1cc(Br)ccc1CN1CCSC[C@H]1C1CC1 ZINC000826065013 1320381309 /nfs/dbraw/zinc/38/13/09/1320381309.db2.gz SKDQDFFFZMMBHQ-ZDUSSCGKSA-N 0 1 328.275 3.482 20 10 EGCDMN CC(C)(C[NH2+]Cc1ccc2ccccc2c1[O-])[C@]1(O)CCCOC1 ZINC000827595179 1320461609 /nfs/dbraw/zinc/46/16/09/1320461609.db2.gz MCFJPUVBDINOFN-FQEVSTJZSA-N 0 1 329.440 3.203 20 10 EGCDMN CC[C@H]1CN(CC)CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000836946674 1320556666 /nfs/dbraw/zinc/55/66/66/1320556666.db2.gz BLJFVPXSBPDOGZ-KRWDZBQOSA-N 0 1 340.471 3.045 20 10 EGCDMN CC(C)NC(=O)[C@@H](C)N[C@@H](C)c1ccc(N2CCCCC2)c(F)c1 ZINC000840890401 1321172161 /nfs/dbraw/zinc/17/21/61/1321172161.db2.gz MHMBZBJTKFPANE-LSDHHAIUSA-N 0 1 335.467 3.380 20 10 EGCDMN Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745064 1321305486 /nfs/dbraw/zinc/30/54/86/1321305486.db2.gz NBYQYCXGCWXLEP-DZGCQCFKSA-N 0 1 335.831 3.445 20 10 EGCDMN COCCn1c(C)c(C)c2cc(-c3nc([C@@H]4CCCN4)no3)ccc21 ZINC000842644148 1321412718 /nfs/dbraw/zinc/41/27/18/1321412718.db2.gz QSZSVCWXLHYBRS-INIZCTEOSA-N 0 1 340.427 3.379 20 10 EGCDMN C[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])c1ccc(N2CCNC2=O)cc1 ZINC000842744014 1321426325 /nfs/dbraw/zinc/42/63/25/1321426325.db2.gz OXZPECIULDGSKM-LBPRGKRZSA-N 0 1 345.830 3.426 20 10 EGCDMN C[C@@H]([NH2+]Cc1ccc(CO)cc1)c1cc(Br)ccc1[O-] ZINC000842896740 1321447297 /nfs/dbraw/zinc/44/72/97/1321447297.db2.gz ZMNDJDNNHCBVHH-LLVKDONJSA-N 0 1 336.229 3.498 20 10 EGCDMN Cc1cc(Br)c([O-])c(CN(CC[NH3+])Cc2ccccc2)c1 ZINC000843059896 1321463892 /nfs/dbraw/zinc/46/38/92/1321463892.db2.gz UCLFNRBSZPFALO-UHFFFAOYSA-N 0 1 349.272 3.424 20 10 EGCDMN N[C@@H](C(=O)NCCCSc1nccs1)c1cccc(Cl)c1 ZINC000843439745 1321519303 /nfs/dbraw/zinc/51/93/03/1321519303.db2.gz OWRWGSXOSKRJFS-GFCCVEGCSA-N 0 1 341.889 3.095 20 10 EGCDMN CCc1cccc(CNCc2ccn(-c3ccc(OC)cc3)n2)c1O ZINC000848896155 1322035735 /nfs/dbraw/zinc/03/57/35/1322035735.db2.gz TXSXWHGSEYPORQ-UHFFFAOYSA-N 0 1 337.423 3.439 20 10 EGCDMN Cc1cccc([C@@H]2C(=O)NCCN2Cc2cccc(Cl)c2O)c1 ZINC000848951483 1322051201 /nfs/dbraw/zinc/05/12/01/1322051201.db2.gz WNCYFGWJFRXRDB-MRXNPFEDSA-N 0 1 330.815 3.027 20 10 EGCDMN O=C1NCCCN1c1ccc(C[NH2+]Cc2cc(Cl)ccc2[O-])cc1 ZINC000850414577 1322241846 /nfs/dbraw/zinc/24/18/46/1322241846.db2.gz ZYPQKCWKVWIKOC-UHFFFAOYSA-N 0 1 345.830 3.255 20 10 EGCDMN CC[C@@H]([NH2+]C1CCN([C@@H]2CCOC2)CC1)c1cc(Cl)ccc1[O-] ZINC000850558430 1322267272 /nfs/dbraw/zinc/26/72/72/1322267272.db2.gz WSTGTZHDWLVWOJ-NVXWUHKLSA-N 0 1 338.879 3.340 20 10 EGCDMN CCOCc1cc(CNCc2cccc3c2OCC3)ccc1OC ZINC000922944049 1322655975 /nfs/dbraw/zinc/65/59/75/1322655975.db2.gz IQAQBEVLDJMXAW-UHFFFAOYSA-N 0 1 327.424 3.456 20 10 EGCDMN Cc1cc(C(=O)CN(C)Cc2cnc[nH]2)c(C)n1-c1cccc(C)c1 ZINC000852286221 1323173472 /nfs/dbraw/zinc/17/34/72/1323173472.db2.gz 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O=C1Nc2ccccc2[C@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@H]12 ZINC001140337772 1378048539 /nfs/dbraw/zinc/04/85/39/1378048539.db2.gz DITPPMVXGGLBMX-OLZOCXBDSA-N 0 1 328.799 3.213 20 10 EGCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140340132 1378049350 /nfs/dbraw/zinc/04/93/50/1378049350.db2.gz ROBBDRWWWYEZCO-KSSFIOAISA-N 0 1 339.863 3.453 20 10 EGCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1c([O-])cccc1Cl)C2 ZINC001140340132 1378049355 /nfs/dbraw/zinc/04/93/55/1378049355.db2.gz ROBBDRWWWYEZCO-KSSFIOAISA-N 0 1 339.863 3.453 20 10 EGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140342029 1378050128 /nfs/dbraw/zinc/05/01/28/1378050128.db2.gz PBOOLPXMCOIIPE-FZMZJTMJSA-N 0 1 338.835 3.097 20 10 EGCDMN CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3c([O-])cccc3Cl)C[C@@H]21 ZINC001140342029 1378050132 /nfs/dbraw/zinc/05/01/32/1378050132.db2.gz PBOOLPXMCOIIPE-FZMZJTMJSA-N 0 1 338.835 3.097 20 10 EGCDMN CC(C)(C)OC(=O)N1C[C@@H]2CN(Cc3c(O)cccc3Cl)C[C@@H]21 ZINC001140342029 1378050134 /nfs/dbraw/zinc/05/01/34/1378050134.db2.gz PBOOLPXMCOIIPE-FZMZJTMJSA-N 0 1 338.835 3.097 20 10 EGCDMN COC[C@H]1COCCC12CC[NH+](Cc1ccc(Cl)cc1[O-])CC2 ZINC001140465937 1378068587 /nfs/dbraw/zinc/06/85/87/1378068587.db2.gz WSFYGXHQKRTQLL-HNNXBMFYSA-N 0 1 339.863 3.311 20 10 EGCDMN O=C1N(CC2CCCC2)CC[C@]12CCC[N@@H+]2Cc1c([O-])cccc1F ZINC001273265581 1378092909 /nfs/dbraw/zinc/09/29/09/1378092909.db2.gz HXCSGWNBDKRYTE-HXUWFJFHSA-N 0 1 346.446 3.288 20 10 EGCDMN O=C1N(C2CCCC2)CC[C@]12CCC[N@@H+]2Cc1c([O-])cccc1F ZINC001273266339 1378093418 /nfs/dbraw/zinc/09/34/18/1378093418.db2.gz WYKXVNCRQNTNML-LJQANCHMSA-N 0 1 332.419 3.041 20 10 EGCDMN CCOC(=O)c1cc2c(s1)CCN(Cc1cc(C)ccc1O)C2 ZINC001140621372 1378099513 /nfs/dbraw/zinc/09/95/13/1378099513.db2.gz ZQHPAIHTCVQURK-UHFFFAOYSA-N 0 1 331.437 3.497 20 10 EGCDMN CCN(CC)c1ccc(CN2CCc3cnc(OC)cc3C2)c(O)c1 ZINC001140857444 1378159699 /nfs/dbraw/zinc/15/96/99/1378159699.db2.gz YAPORFSQSCXEGA-UHFFFAOYSA-N 0 1 341.455 3.200 20 10 EGCDMN CCN(C(C)=O)C1CCN(Cc2ccc(N(C)C)cc2Cl)CC1 ZINC001140926191 1378183166 /nfs/dbraw/zinc/18/31/66/1378183166.db2.gz HYQSMKOMXHEZQG-UHFFFAOYSA-N 0 1 337.895 3.239 20 10 EGCDMN Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)c(O)c1 ZINC001140951011 1378190511 /nfs/dbraw/zinc/19/05/11/1378190511.db2.gz SZDHMEWCDFCAPK-UHFFFAOYSA-N 0 1 332.444 3.286 20 10 EGCDMN COc1cccc(C(=O)C2CCN(Cc3cc(O)ccc3O)CC2)c1 ZINC001141156154 1378253804 /nfs/dbraw/zinc/25/38/04/1378253804.db2.gz GHANYFTUSFDGPC-UHFFFAOYSA-N 0 1 341.407 3.201 20 10 EGCDMN COCC[C@@H]1CO[C@]2(C1)CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517733 1378452392 /nfs/dbraw/zinc/45/23/92/1378452392.db2.gz YDRNQYQSUPMSTE-UGSOOPFHSA-N 0 1 341.398 3.078 20 10 EGCDMN CN(Cc1cn2c(cccc2Br)n1)Cc1ccccc1O ZINC001143088135 1378536274 /nfs/dbraw/zinc/53/62/74/1378536274.db2.gz HUNCEOFVJSESPL-UHFFFAOYSA-N 0 1 346.228 3.434 20 10 EGCDMN C[C@@]1(O)CCCC[N@@H+](Cc2cc(Br)c(F)cc2[O-])C1 ZINC001144298951 1378713182 /nfs/dbraw/zinc/71/31/82/1378713182.db2.gz MNQBDNZWFMHAPI-CQSZACIVSA-N 0 1 332.213 3.031 20 10 EGCDMN C[C@H]([NH2+]CCN1C(=O)COc2ccccc21)c1cc(Cl)ccc1[O-] ZINC001320133041 1386530659 /nfs/dbraw/zinc/53/06/59/1386530659.db2.gz MSFDTLBXTMSMHO-LBPRGKRZSA-N 0 1 346.814 3.122 20 10 EGCDMN COc1ccc(N2CCN(CCc3ccc(F)cc3)CC2)cc1F ZINC001320753944 1386709622 /nfs/dbraw/zinc/70/96/22/1386709622.db2.gz MAINQFQJFYJZBC-UHFFFAOYSA-N 0 1 332.394 3.338 20 10 EGCDMN C[C@@H]([NH2+]CCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1[O-] ZINC001331451582 1389753378 /nfs/dbraw/zinc/75/33/78/1389753378.db2.gz WEJUEBZCVZFORW-GFCCVEGCSA-N 0 1 346.814 3.122 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1Cl ZINC001333906990 1390435203 /nfs/dbraw/zinc/43/52/03/1390435203.db2.gz DLKYHNFDRBYFEG-CJNGLKHVSA-N 0 1 335.835 3.097 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCc2c[nH]nn2)c1 ZINC001347090667 1390999654 /nfs/dbraw/zinc/99/96/54/1390999654.db2.gz DCFFUFPUBSPKFV-UHFFFAOYSA-N 0 1 344.802 3.265 20 10 EGCDMN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCCc2cnn[nH]2)c1 ZINC001347090667 1390999656 /nfs/dbraw/zinc/99/96/56/1390999656.db2.gz DCFFUFPUBSPKFV-UHFFFAOYSA-N 0 1 344.802 3.265 20 10 EGCDMN C[C@H](c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001575512760 949141445 /nfs/dbraw/zinc/14/14/45/949141445.db2.gz PAKLZAHLJUUPOV-SNVBAGLBSA-N 0 1 345.353 3.044 20 10 EGCDMN O=C([O-])CC[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000706658223 954955138 /nfs/dbraw/zinc/95/51/38/954955138.db2.gz SIVIWLDYKCUPJT-LLVKDONJSA-N 0 1 342.233 3.232 20 10 EGCDMN COc1cc(C[N@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c(O)c(C(C)(C)C)c1 ZINC001594056715 958043347 /nfs/dbraw/zinc/04/33/47/958043347.db2.gz VXKMEONUWVDQJJ-OCCSQVGLSA-N 0 1 335.444 3.241 20 10 EGCDMN Cc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817881482 969185113 /nfs/dbraw/zinc/18/51/13/969185113.db2.gz UTQYVKPEKOEVAK-QWRGUYRKSA-N 0 1 342.233 3.148 20 10 EGCDMN Cc1cc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)ccc1N(C)C ZINC000846283333 979454222 /nfs/dbraw/zinc/45/42/22/979454222.db2.gz GTRPLULNOPPMML-OAQYLSRUSA-N 0 1 338.451 3.289 20 10 EGCDMN CCN(C)c1ccc(C[N@@H+]2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)cc1 ZINC001596194427 983577535 /nfs/dbraw/zinc/57/75/35/983577535.db2.gz LUSPHBFVOSOELK-UONOGXRCSA-N 0 1 344.377 3.228 20 10 EGCDMN C[C@@H]1C[C@H](C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC001599933310 985352460 /nfs/dbraw/zinc/35/24/60/985352460.db2.gz BQQNRJVCJHEGDM-ITGUQSILSA-N 0 1 341.835 3.136 20 10 EGCDMN CCOCCC[N@H+](Cc1c(O)cc(C)cc1Cl)C[C@H](C)C(=O)[O-] ZINC001596914767 985932523 /nfs/dbraw/zinc/93/25/23/985932523.db2.gz IYRBCTUIGIWHMJ-ZDUSSCGKSA-N 0 1 343.851 3.303 20 10 EGCDMN CN(C)c1cc(F)c(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1F ZINC001598306446 991264472 /nfs/dbraw/zinc/26/44/72/991264472.db2.gz WBRDTLRFARLRTF-ZDUSSCGKSA-N 0 1 340.414 3.354 20 10 EGCDMN COc1cccc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)c1O ZINC001599673796 994861899 /nfs/dbraw/zinc/86/18/99/994861899.db2.gz VNICVIAHSAFIMD-GFCCVEGCSA-N 0 1 348.424 3.201 20 10 EGCDMN COc1cc(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(O)c(C(C)(C)C)c1 ZINC001599407269 997336289 /nfs/dbraw/zinc/33/62/89/997336289.db2.gz XOZGZRSLUIYUCO-LBPRGKRZSA-N 0 1 335.444 3.383 20 10 EGCDMN COc1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1C ZINC001599558814 998148341 /nfs/dbraw/zinc/14/83/41/998148341.db2.gz MNBQZUBBIXEAHA-UHFFFAOYSA-N 0 1 349.814 3.449 20 10 EGCDMN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC001594169032 998651771 /nfs/dbraw/zinc/65/17/71/998651771.db2.gz ZGZJGCWQPUEHFQ-KDOFPFPSSA-N 0 1 341.407 3.266 20 10 EGCDMN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000088547745 454111603 /nfs/dbraw/zinc/11/16/03/454111603.db2.gz LBXIUDRPCFVXGM-UHFFFAOYSA-N 0 1 337.445 3.402 20 10 EGCDMN CCCN(Cc1ccccc1O)C(=O)c1c[nH]c2ccccc2c1=O ZINC000066096447 454656789 /nfs/dbraw/zinc/65/67/89/454656789.db2.gz AXPGJXMBJFDFNZ-UHFFFAOYSA-N 0 1 336.391 3.286 20 10 EGCDMN COc1ccc(N2CCCN(Cc3c(C)nn(C)c3Cl)CC2)cc1 ZINC000066155626 454661139 /nfs/dbraw/zinc/66/11/39/454661139.db2.gz FSBXKQMYXAPBBG-UHFFFAOYSA-N 0 1 348.878 3.103 20 10 EGCDMN Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)cn1 ZINC000093870273 454742826 /nfs/dbraw/zinc/74/28/26/454742826.db2.gz BCUZSNMLANDOJY-LLVKDONJSA-N 0 1 340.254 3.497 20 10 EGCDMN C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000109771284 454836210 /nfs/dbraw/zinc/83/62/10/454836210.db2.gz OHZUNJVENCOLDF-UONOGXRCSA-N 0 1 330.403 3.229 20 10 EGCDMN CCN(CC(=O)Nc1ccccc1OC)Cc1cccc(C)c1O ZINC000183373355 455284032 /nfs/dbraw/zinc/28/40/32/455284032.db2.gz NTUIRMFWDWJBJH-UHFFFAOYSA-N 0 1 328.412 3.170 20 10 EGCDMN C[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cc(Br)ccc1[O-] ZINC000185735772 455610157 /nfs/dbraw/zinc/61/01/57/455610157.db2.gz ZNEDGXZPYOZQNG-GMXVVIOVSA-N 0 1 328.250 3.356 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1ccc2ccccc2c1[O-] ZINC000186375385 455755453 /nfs/dbraw/zinc/75/54/53/455755453.db2.gz PWEVNSUSAGNGRC-GDBMZVCRSA-N 0 1 343.423 3.118 20 10 EGCDMN CCOC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccc3ccccc3c2[O-])C1 ZINC000186466337 455774418 /nfs/dbraw/zinc/77/44/18/455774418.db2.gz JLKZKKXMQHHNLQ-UKRRQHHQSA-N 0 1 328.412 3.427 20 10 EGCDMN CCOc1cccc(CNCc2cccc(C(F)(F)F)n2)c1O ZINC000294777147 455827241 /nfs/dbraw/zinc/82/72/41/455827241.db2.gz KSKAXHSGLGNGSH-UHFFFAOYSA-N 0 1 326.318 3.495 20 10 EGCDMN Oc1ccc(F)cc1CNCc1nn(-c2ccccc2)c2c1CCC2 ZINC000272475097 455963273 /nfs/dbraw/zinc/96/32/73/455963273.db2.gz SENFGCAUSVRTTD-UHFFFAOYSA-N 0 1 337.398 3.496 20 10 EGCDMN C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1ccc(Br)cc1[O-] ZINC000188028411 455982792 /nfs/dbraw/zinc/98/27/92/455982792.db2.gz NMPRJMYYPSWRSQ-JTNHKYCSSA-N 0 1 328.250 3.356 20 10 EGCDMN COc1cc(CNCc2ccc(N(C)C)cc2C(F)(F)F)ccn1 ZINC000280662180 456026161 /nfs/dbraw/zinc/02/61/61/456026161.db2.gz BSGCUJZRFAQPFA-UHFFFAOYSA-N 0 1 339.361 3.465 20 10 EGCDMN C[C@H]1C[C@H](CC[NH2+]Cc2cc(Br)ccc2[O-])CCO1 ZINC000273018778 456147832 /nfs/dbraw/zinc/14/78/32/456147832.db2.gz DHLUUSCBASOPEH-NWDGAFQWSA-N 0 1 328.250 3.450 20 10 EGCDMN Cc1ccc([C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2[O-])o1 ZINC000273622713 456242622 /nfs/dbraw/zinc/24/26/22/456242622.db2.gz ZLQFHUOHDZXEJP-YGRLFVJLSA-N 0 1 340.217 3.440 20 10 EGCDMN Cc1cc(Br)cc([C@@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000275270545 456271889 /nfs/dbraw/zinc/27/18/89/456271889.db2.gz BXGVFWFGQRMBCF-ZJUUUORDSA-N 0 1 339.237 3.003 20 10 EGCDMN Cc1cc(Br)cc([C@H](C)N[C@H](C)c2nncn2C)c1O ZINC000275270543 456272396 /nfs/dbraw/zinc/27/23/96/456272396.db2.gz BXGVFWFGQRMBCF-VHSXEESVSA-N 0 1 339.237 3.003 20 10 EGCDMN CCN1CCN(c2ccc(CNc3cccc(F)n3)cc2F)CC1 ZINC000301179963 456815410 /nfs/dbraw/zinc/81/54/10/456815410.db2.gz HNYQZBHWHMDBEZ-UHFFFAOYSA-N 0 1 332.398 3.114 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000365665111 457768684 /nfs/dbraw/zinc/76/86/84/457768684.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 0 1 347.846 3.361 20 10 EGCDMN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1[O-] ZINC000365665111 457768687 /nfs/dbraw/zinc/76/86/87/457768687.db2.gz OTRSQEXXBOGXKI-ZDUSSCGKSA-N 0 1 347.846 3.361 20 10 EGCDMN C[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cc(Br)ccc1[O-] ZINC000756615704 576159977 /nfs/dbraw/zinc/15/99/77/576159977.db2.gz FZUXMVVLFZJJBS-RYUDHWBXSA-N 0 1 327.266 3.290 20 10 EGCDMN CCN(C)c1ccc(CN2CCC[C@@H]2C(=O)NCc2ccco2)cc1 ZINC000741752672 576717032 /nfs/dbraw/zinc/71/70/32/576717032.db2.gz DYFZKAFPJQQCHP-LJQANCHMSA-N 0 1 341.455 3.017 20 10 EGCDMN CCN(C)c1ccc(CN2CCN(c3nc(C)cs3)CC2)cc1 ZINC000741754689 576717537 /nfs/dbraw/zinc/71/75/37/576717537.db2.gz VIFZSQVNISKMFV-UHFFFAOYSA-N 0 1 330.501 3.230 20 10 EGCDMN COCc1nc(CNC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000742369833 576774835 /nfs/dbraw/zinc/77/48/35/576774835.db2.gz WPNUSTRIMHPAHU-UHFFFAOYSA-N 0 1 347.484 3.057 20 10 EGCDMN Cc1cccc(F)c1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000742379934 576776506 /nfs/dbraw/zinc/77/65/06/576776506.db2.gz DAOPRAXLYALPPF-UHFFFAOYSA-N 0 1 332.394 3.400 20 10 EGCDMN O=C([O-])c1ccc(C[NH2+]Cc2cccc(Br)c2O)cc1 ZINC000819683818 597137450 /nfs/dbraw/zinc/13/74/50/597137450.db2.gz VJRMSEVMLXHOCC-UHFFFAOYSA-N 0 1 336.185 3.143 20 10 EGCDMN O=C([O-])c1sccc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000833347988 601826117 /nfs/dbraw/zinc/82/61/17/601826117.db2.gz YRWKSNHLAHHEAV-HNNXBMFYSA-N 0 1 347.436 3.333 20 10 EGCDMN COc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1C ZINC000047795007 1291584736 /nfs/dbraw/zinc/58/47/36/1291584736.db2.gz DYHKYQVWJCLYAT-LJQANCHMSA-N 0 1 338.451 3.457 20 10 EGCDMN C[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc2ccccc2c1[O-] ZINC000834851263 1293157792 /nfs/dbraw/zinc/15/77/92/1293157792.db2.gz WANUTPKDJVZUCV-WBVHZDCISA-N 0 1 328.456 3.043 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN[C@H](C)CS(=O)(=O)c1ccccc1 ZINC000122463164 1293413550 /nfs/dbraw/zinc/41/35/50/1293413550.db2.gz RRNGUZQBSQIGCJ-MRXNPFEDSA-N 0 1 346.496 3.013 20 10 EGCDMN [O-]c1cccc(Cl)c1C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000122983518 1293430668 /nfs/dbraw/zinc/43/06/68/1293430668.db2.gz AFYZGNGBVXJOLB-CQSZACIVSA-N 0 1 325.836 3.206 20 10 EGCDMN CC(C)C[N@@H+](CCN(C)C)Cc1cccc(Br)c1[O-] ZINC000132547176 1293722459 /nfs/dbraw/zinc/72/24/59/1293722459.db2.gz FCBRIEWBDGPRKN-UHFFFAOYSA-N 0 1 329.282 3.174 20 10 EGCDMN Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000136493551 1293816648 /nfs/dbraw/zinc/81/66/48/1293816648.db2.gz KPNWSKWLCLRJKQ-UHFFFAOYSA-N 0 1 328.393 3.358 20 10 EGCDMN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1cc(Br)ccc1[O-] ZINC000148823934 1293885058 /nfs/dbraw/zinc/88/50/58/1293885058.db2.gz SSUYGHYMESMVRI-CQSZACIVSA-N 0 1 338.249 3.172 20 10 EGCDMN C[C@H]([NH2+]CCN1CCOCC1(C)C)c1ccc2ccccc2c1[O-] ZINC000185333865 1295256594 /nfs/dbraw/zinc/25/65/94/1295256594.db2.gz BDIKFCOYZGSOQH-HNNXBMFYSA-N 0 1 328.456 3.307 20 10 EGCDMN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cc(Br)ccc1[O-] ZINC000186785651 1295351348 /nfs/dbraw/zinc/35/13/48/1295351348.db2.gz QNGYXSDGPSVXIO-UMVBOHGHSA-N 0 1 328.250 3.499 20 10 EGCDMN CO[C@]1(C)CCC[N@@H+](Cc2cc(Br)cc(C)c2O)C1 ZINC000230299869 1296162683 /nfs/dbraw/zinc/16/26/83/1296162683.db2.gz WUAFCHVYYQPOMB-OAHLLOKOSA-N 0 1 328.250 3.464 20 10 EGCDMN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](N)c1ccc(C)cc1 ZINC000326214269 1297234457 /nfs/dbraw/zinc/23/44/57/1297234457.db2.gz FQBJLZZQRAFJNT-LJQANCHMSA-N 0 1 325.456 3.110 20 10 EGCDMN CCCOc1ccc(CN[C@@H](CC(N)=O)c2ccccc2)cc1C ZINC000873128066 1297285943 /nfs/dbraw/zinc/28/59/43/1297285943.db2.gz BBYHCHKDPIIOJD-SFHVURJKSA-N 0 1 326.440 3.490 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000706846600 1298222993 /nfs/dbraw/zinc/22/29/93/1298222993.db2.gz MZRPFEIBZFMZEF-LBPRGKRZSA-N 0 1 334.213 3.248 20 10 EGCDMN COc1ccc(CC[NH2+]Cc2c([O-])cccc2Br)cc1 ZINC000706842394 1298224390 /nfs/dbraw/zinc/22/43/90/1298224390.db2.gz GGTYYYCBLWXOEE-UHFFFAOYSA-N 0 1 336.229 3.496 20 10 EGCDMN OC1CCN(c2ccc(CN3CCOc4ccccc4C3)cc2)CC1 ZINC000876627882 1298879819 /nfs/dbraw/zinc/87/98/19/1298879819.db2.gz UQAQLMIVLHOESY-UHFFFAOYSA-N 0 1 338.451 3.042 20 10 EGCDMN Cc1cc(O)c([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1Cl ZINC000877844040 1299606963 /nfs/dbraw/zinc/60/69/63/1299606963.db2.gz XSSAWBOTHKNBER-AWEZNQCLSA-N 0 1 327.775 3.200 20 10 EGCDMN CC[C@H](C)c1nc([C@H](C)NCc2ccc(N3CCOCC3)cc2)n[nH]1 ZINC000752925540 1299821344 /nfs/dbraw/zinc/82/13/44/1299821344.db2.gz LUKKLOFADGBJKG-GJZGRUSLSA-N 0 1 343.475 3.006 20 10 EGCDMN Cc1cc(CNCc2ccc(OCc3ccccc3)cc2O)ncn1 ZINC000753570404 1299977010 /nfs/dbraw/zinc/97/70/10/1299977010.db2.gz KQWRYFJEJPLDCP-UHFFFAOYSA-N 0 1 335.407 3.359 20 10 EGCDMN CCc1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)n[nH]1 ZINC000753919993 1300039269 /nfs/dbraw/zinc/03/92/69/1300039269.db2.gz SHAOMNUIWPOROP-UHFFFAOYSA-N 0 1 326.322 3.219 20 10 EGCDMN C[C@H]([NH2+]CCOC[C@@H]1CCCO1)c1cc(Br)ccc1[O-] ZINC000756582371 1300526784 /nfs/dbraw/zinc/52/67/84/1300526784.db2.gz HXXPHIWERRPGPO-AAEUAGOBSA-N 0 1 344.249 3.001 20 10 EGCDMN CCN(CC)c1ccc(CN(C)[C@H](C)C(=O)NCC(F)(F)F)cc1 ZINC000759643263 1301134798 /nfs/dbraw/zinc/13/47/98/1301134798.db2.gz LUKBNOGAGIWTRH-CYBMUJFWSA-N 0 1 345.409 3.032 20 10 EGCDMN COc1cccc(O)c1CN1CCN(C/C=C\c2ccccc2)CC1 ZINC000768145200 1302836093 /nfs/dbraw/zinc/83/60/93/1302836093.db2.gz YHQTZVBALKSMCC-TWGQIWQCSA-N 0 1 338.451 3.232 20 10 EGCDMN CCOc1ccc(CN2CCc3cc(OC)c(OC)cc3C2)c(O)c1 ZINC000768161263 1302839908 /nfs/dbraw/zinc/83/99/08/1302839908.db2.gz VRTSUPHCBNQWFB-UHFFFAOYSA-N 0 1 343.423 3.366 20 10 EGCDMN CCOc1ccc(CN2CCN(Cc3ccsc3)CC2)c(O)c1 ZINC000768208954 1302855304 /nfs/dbraw/zinc/85/53/04/1302855304.db2.gz WKZMVWBCGOAZEC-UHFFFAOYSA-N 0 1 332.469 3.170 20 10 EGCDMN COc1cc(CN2CCN(Cc3ccsc3)CC2)c(O)cc1C ZINC000768441423 1302903159 /nfs/dbraw/zinc/90/31/59/1302903159.db2.gz HQJIUBUDIFNYGN-UHFFFAOYSA-N 0 1 332.469 3.089 20 10 EGCDMN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)[C@@H]1CC12CCC2 ZINC000771067251 1303355854 /nfs/dbraw/zinc/35/58/54/1303355854.db2.gz UPPLAMNDZKFVBL-CVEARBPZSA-N 0 1 348.874 3.316 20 10 EGCDMN CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000773329234 1303663243 /nfs/dbraw/zinc/66/32/43/1303663243.db2.gz ZNDXODXDDPSTRO-FQEVSTJZSA-N 0 1 342.439 3.352 20 10 EGCDMN CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](Cc2c([O-])ccc3ccncc32)C1 ZINC000773329234 1303663252 /nfs/dbraw/zinc/66/32/52/1303663252.db2.gz ZNDXODXDDPSTRO-FQEVSTJZSA-N 0 1 342.439 3.352 20 10 EGCDMN COc1c([O-])c(C[N@H+]2CCc3c(C)cccc3C2)ccc1[N+](=O)[O-] ZINC000774876531 1303870585 /nfs/dbraw/zinc/87/05/85/1303870585.db2.gz ANIVMLNWBBKTHK-UHFFFAOYSA-N 0 1 328.368 3.176 20 10 EGCDMN COc1c([O-])c(C[NH2+][C@H](c2ncc(C)s2)C2CC2)ccc1[N+](=O)[O-] ZINC000775024618 1303890770 /nfs/dbraw/zinc/89/07/70/1303890770.db2.gz RBOSMMKIHFFGCC-ZDUSSCGKSA-N 0 1 349.412 3.315 20 10 EGCDMN C[C@@H](N[C@H](C(N)=O)c1cccc(Br)c1)c1ccccc1O ZINC000775137367 1303914984 /nfs/dbraw/zinc/91/49/84/1303914984.db2.gz TZFUAAPMABPEFD-BMIGLBTASA-N 0 1 349.228 3.032 20 10 EGCDMN [O-]c1c(F)cc(Cl)cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000775137338 1303915219 /nfs/dbraw/zinc/91/52/19/1303915219.db2.gz KVXLQNRAQSWSPW-ISVAXAHUSA-N 0 1 341.732 3.320 20 10 EGCDMN COc1cc2nc(NCc3ccc(N(C)C)c(F)c3)[nH]c2cc1OC ZINC000775191728 1303922757 /nfs/dbraw/zinc/92/27/57/1303922757.db2.gz KGPBKXPIWSPQRE-UHFFFAOYSA-N 0 1 344.390 3.397 20 10 EGCDMN COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(F)c1O ZINC000775632863 1303999382 /nfs/dbraw/zinc/99/93/82/1303999382.db2.gz BTTUFTMTPNDRKS-MRXNPFEDSA-N 0 1 349.789 3.285 20 10 EGCDMN CN(Cc1cc(Cl)cc(F)c1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000775643232 1304001761 /nfs/dbraw/zinc/00/17/61/1304001761.db2.gz OHPGSGDKNYBSAR-UHFFFAOYSA-N 0 1 347.777 3.466 20 10 EGCDMN CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775667481 1304010548 /nfs/dbraw/zinc/01/05/48/1304010548.db2.gz IWCYOERIEHXCDN-GFCCVEGCSA-N 0 1 342.842 3.313 20 10 EGCDMN C[C@@H](NCc1ccnc(N(C)C)n1)c1ccc(N2CCCCC2)cc1 ZINC000776172623 1304106071 /nfs/dbraw/zinc/10/60/71/1304106071.db2.gz RLMCOJSFJCWNJF-MRXNPFEDSA-N 0 1 339.487 3.384 20 10 EGCDMN CN(CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-])C(=O)OC(C)(C)C ZINC000779596497 1304585494 /nfs/dbraw/zinc/58/54/94/1304585494.db2.gz GUIQCICBWAEBHC-UHFFFAOYSA-N 0 1 346.830 3.483 20 10 EGCDMN COC(=O)C(C)(C)[C@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1 ZINC000779603751 1304586145 /nfs/dbraw/zinc/58/61/45/1304586145.db2.gz APFNYQXYCKZYIC-LBPRGKRZSA-N 0 1 325.836 3.457 20 10 EGCDMN COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1 ZINC000779603751 1304586149 /nfs/dbraw/zinc/58/61/49/1304586149.db2.gz APFNYQXYCKZYIC-LBPRGKRZSA-N 0 1 325.836 3.457 20 10 EGCDMN C[C@@H](c1ccccn1)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000780892801 1304748812 /nfs/dbraw/zinc/74/88/12/1304748812.db2.gz KMPSNZLZNJCSTJ-HNNXBMFYSA-N 0 1 329.419 3.250 20 10 EGCDMN COc1ccc(CN(C)Cc2ccc(OC)c(OC)c2O)c(OC)c1 ZINC000891478525 1305062570 /nfs/dbraw/zinc/06/25/70/1305062570.db2.gz ZHIONQXFEAICJL-UHFFFAOYSA-N 0 1 347.411 3.059 20 10 EGCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1cc(Br)ccc1[O-] ZINC000785989157 1305486400 /nfs/dbraw/zinc/48/64/00/1305486400.db2.gz SQEQGGNJYMOJAS-GYSYKLTISA-N 0 1 328.250 3.136 20 10 EGCDMN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1cc(Br)ccc1[O-] ZINC000785989157 1305486407 /nfs/dbraw/zinc/48/64/07/1305486407.db2.gz SQEQGGNJYMOJAS-GYSYKLTISA-N 0 1 328.250 3.136 20 10 EGCDMN CC(=C\c1cccc([N+](=O)[O-])c1)/C=C1\C(=O)NN(c2ccccc2)C1=O ZINC000787168998 1305700656 /nfs/dbraw/zinc/70/06/56/1305700656.db2.gz LJFLZSLYXNPMBI-YAXRHUFXSA-N 0 1 349.346 3.003 20 10 EGCDMN COc1ccc(CN(C)Cc2ncc(C)c(OC)c2C)c(O)c1OC ZINC000893544015 1305962881 /nfs/dbraw/zinc/96/28/81/1305962881.db2.gz ZBJZNYWYSHGIFR-UHFFFAOYSA-N 0 1 346.427 3.062 20 10 EGCDMN O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(F)ccc(O)c1O ZINC000789939195 1306233867 /nfs/dbraw/zinc/23/38/67/1306233867.db2.gz MFSREXNOGNEYOQ-UHFFFAOYSA-N 0 1 331.221 3.388 20 10 EGCDMN CCCn1c2ccccc2nc1NC(=O)c1c(F)ccc(O)c1O ZINC000790069859 1306256470 /nfs/dbraw/zinc/25/64/70/1306256470.db2.gz DYDBMQHIXDZZPB-UHFFFAOYSA-N 0 1 329.331 3.249 20 10 EGCDMN C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CC2(CCOCC2)O1 ZINC000790384521 1306313499 /nfs/dbraw/zinc/31/34/99/1306313499.db2.gz FCRPYCDVZOIFLO-AWEZNQCLSA-N 0 1 349.471 3.165 20 10 EGCDMN [O-]c1ccc(Br)cc1C[NH2+]CCc1ccc2c[nH]nc2c1 ZINC000790620117 1306364121 /nfs/dbraw/zinc/36/41/21/1306364121.db2.gz WACPZYZPNLMGSI-UHFFFAOYSA-N 0 1 346.228 3.363 20 10 EGCDMN Cc1cc(Br)c([O-])c(C[N@H+](C)C2CCC(CO)CC2)c1 ZINC000809766163 1317896738 /nfs/dbraw/zinc/89/67/38/1317896738.db2.gz WBJVATHQWIZNLG-UHFFFAOYSA-N 0 1 342.277 3.446 20 10 EGCDMN COc1cc(C)cc(CN(C)Cc2ncc(C)c(OC)c2C)c1O ZINC000894450441 1308894606 /nfs/dbraw/zinc/89/46/06/1308894606.db2.gz IKEKJIZZSDFCFX-UHFFFAOYSA-N 0 1 330.428 3.362 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN(C)[C@H](c1nnc[nH]1)c1ccccc1 ZINC000894963090 1309136831 /nfs/dbraw/zinc/13/68/31/1309136831.db2.gz MIEOAHUHNCFERE-IBGZPJMESA-N 0 1 335.455 3.401 20 10 EGCDMN Cc1nnc(CN(C)Cc2cc(Br)cc(F)c2O)s1 ZINC000895354450 1309297129 /nfs/dbraw/zinc/29/71/29/1309297129.db2.gz ZTWDCBLOWXKIAJ-UHFFFAOYSA-N 0 1 346.225 3.086 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178429 1318691940 /nfs/dbraw/zinc/69/19/40/1318691940.db2.gz PJYSRXYDISGLGU-AWEZNQCLSA-N 0 1 340.261 3.403 20 10 EGCDMN [O-]c1ccc(Br)cc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000814178429 1318691949 /nfs/dbraw/zinc/69/19/49/1318691949.db2.gz PJYSRXYDISGLGU-AWEZNQCLSA-N 0 1 340.261 3.403 20 10 EGCDMN C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1c([O-])cccc1Cl ZINC000793604486 1309414067 /nfs/dbraw/zinc/41/40/67/1309414067.db2.gz HEPDUDJCNPKEGO-NSHDSACASA-N 0 1 328.840 3.439 20 10 EGCDMN CCC(=O)c1ccc(O)c(NC(=O)C=Cc2ccc(O)c(O)c2)c1 ZINC000794625549 1309557865 /nfs/dbraw/zinc/55/78/65/1309557865.db2.gz YDXZYKUXUIMDQE-YWEYNIOJSA-N 0 1 327.336 3.048 20 10 EGCDMN C[C@H]([NH2+][C@@H](CO)CC1CCC1)c1ccc(Br)cc1[O-] ZINC000794832977 1309603711 /nfs/dbraw/zinc/60/37/11/1309603711.db2.gz IUZDWEFZNUYNEV-GXFFZTMASA-N 0 1 328.250 3.356 20 10 EGCDMN CCN(CC)c1ccc(CN2C[C@H](C)O[C@]3(CCCOC3)C2)cc1 ZINC000796036272 1309888987 /nfs/dbraw/zinc/88/89/87/1309888987.db2.gz HXIOOBLSDIRYCN-FXAWDEMLSA-N 0 1 332.488 3.303 20 10 EGCDMN O=C(/C=C\c1ccccc1)NCCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000800311272 1310730654 /nfs/dbraw/zinc/73/06/54/1310730654.db2.gz FVEKBOUMPSDJCF-YFHOEESVSA-N 0 1 344.842 3.355 20 10 EGCDMN CCOc1cc(C(=O)NCc2cc(Cl)cc(Cl)c2O)on1 ZINC000857507208 1328542290 /nfs/dbraw/zinc/54/22/90/1328542290.db2.gz CJOLQUUQIAKKKB-UHFFFAOYSA-N 0 1 331.155 3.016 20 10 EGCDMN C[C@@H](Oc1ccccn1)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000857507199 1328543066 /nfs/dbraw/zinc/54/30/66/1328543066.db2.gz CEURISIZSOZQQR-SECBINFHSA-N 0 1 341.194 3.178 20 10 EGCDMN CC(=O)NCCN(Cc1ccsc1)Cc1cc(Cl)ccc1O ZINC000802652242 1317022025 /nfs/dbraw/zinc/02/20/25/1317022025.db2.gz BGNHUNYUKFFEMJ-UHFFFAOYSA-N 0 1 338.860 3.245 20 10 EGCDMN C[C@@H](COCC(F)(F)F)[NH2+]Cc1c([O-])cccc1Br ZINC000858117775 1328687817 /nfs/dbraw/zinc/68/78/17/1328687817.db2.gz AQEPOYCOGXXRHE-QMMMGPOBSA-N 0 1 342.155 3.212 20 10 EGCDMN C[C@H]1C[C@@H](CNC(=O)NCc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000805253105 1317332683 /nfs/dbraw/zinc/33/26/83/1317332683.db2.gz PLCYFKRPCIQURQ-UWVGGRQHSA-N 0 1 347.242 3.313 20 10 EGCDMN CCC(O)(CC)CCNC(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000805331630 1317343562 /nfs/dbraw/zinc/34/35/62/1317343562.db2.gz PIAFSKPUGUHTLH-UHFFFAOYSA-N 0 1 349.258 3.439 20 10 EGCDMN [O-]c1cccc(Br)c1C[NH2+]C[C@H]1COc2ccccc21 ZINC000858165034 1328700956 /nfs/dbraw/zinc/70/09/56/1328700956.db2.gz LZRCQFNZRWYCLH-NSHDSACASA-N 0 1 334.213 3.421 20 10 EGCDMN Cc1[nH]c(=O)ccc1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807838830 1317590477 /nfs/dbraw/zinc/59/04/77/1317590477.db2.gz RUBBHRZWGVNXKN-UHFFFAOYSA-N 0 1 327.167 3.038 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)c1cccc2nccn21 ZINC000807839115 1317590778 /nfs/dbraw/zinc/59/07/78/1317590778.db2.gz HYUYIVWQNGVTOW-UHFFFAOYSA-N 0 1 336.178 3.277 20 10 EGCDMN COC(=O)c1cc(C)nc(NCc2cc(Cl)cc(Cl)c2O)n1 ZINC000808086637 1317622028 /nfs/dbraw/zinc/62/20/28/1317622028.db2.gz FHHFCMQSGCYANG-UHFFFAOYSA-N 0 1 342.182 3.196 20 10 EGCDMN CC1(C)CN(Cc2cc3c(cc2O)OCO3)Cc2ccccc2O1 ZINC000808236586 1317649516 /nfs/dbraw/zinc/64/95/16/1317649516.db2.gz HHMMRBWXGUSFMY-UHFFFAOYSA-N 0 1 327.380 3.294 20 10 EGCDMN O=C([O-])[C@@H](CCC[NH2+]Cc1cc(F)cc(F)c1O)Cc1ccccc1 ZINC000903997201 1317764441 /nfs/dbraw/zinc/76/44/41/1317764441.db2.gz NSOBCBPGXIAUMR-AWEZNQCLSA-N 0 1 349.377 3.484 20 10 EGCDMN CC[C@H]([NH2+]C1CCN(C(C)=O)CC1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810206952 1317976393 /nfs/dbraw/zinc/97/63/93/1317976393.db2.gz FUUWYHPEONLELU-HNNXBMFYSA-N 0 1 344.377 3.463 20 10 EGCDMN CC[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccc(C(F)(F)F)cc1[O-] ZINC000810208304 1317976445 /nfs/dbraw/zinc/97/64/45/1317976445.db2.gz AQFRFLQFIWSMLB-OLZOCXBDSA-N 0 1 330.350 3.120 20 10 EGCDMN CC[C@@H]([NH2+]CCc1cnn(C)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000810211197 1317978006 /nfs/dbraw/zinc/97/80/06/1317978006.db2.gz OIWDNBLRHILYLT-CQSZACIVSA-N 0 1 327.350 3.428 20 10 EGCDMN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H](C3OCCO3)C1)oc1ccccc12 ZINC000905694290 1317981173 /nfs/dbraw/zinc/98/11/73/1317981173.db2.gz HWFYQVBGWFTCAK-CYBMUJFWSA-N 0 1 339.391 3.486 20 10 EGCDMN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H](C3OCCO3)C1)oc1ccccc12 ZINC000905694290 1317981181 /nfs/dbraw/zinc/98/11/81/1317981181.db2.gz HWFYQVBGWFTCAK-CYBMUJFWSA-N 0 1 339.391 3.486 20 10 EGCDMN CCOc1ccc(C[N@H+]2CCCN3c4ccccc4C[C@@H]3C2)c(O)c1 ZINC000811512826 1318189527 /nfs/dbraw/zinc/18/95/27/1318189527.db2.gz LKLFVUCGVUINDT-GOSISDBHSA-N 0 1 338.451 3.428 20 10 EGCDMN CN(C)c1ccc(CN2CCCC[C@H]2COC(=O)NC2CC2)cc1F ZINC000811511832 1318190468 /nfs/dbraw/zinc/19/04/68/1318190468.db2.gz VTUYTZHJZWUEHC-INIZCTEOSA-N 0 1 349.450 3.135 20 10 EGCDMN COc1cccc([O-])c1C[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780469 1318453819 /nfs/dbraw/zinc/45/38/19/1318453819.db2.gz FQYDQNRSCONPBS-OAQYLSRUSA-N 0 1 341.451 3.218 20 10 EGCDMN COc1cccc([O-])c1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000812780469 1318453822 /nfs/dbraw/zinc/45/38/22/1318453822.db2.gz FQYDQNRSCONPBS-OAQYLSRUSA-N 0 1 341.451 3.218 20 10 EGCDMN C[C@H]([NH2+]CCN(C)CC(F)F)c1cc(Br)ccc1[O-] ZINC000858597439 1328805805 /nfs/dbraw/zinc/80/58/05/1328805805.db2.gz QGMAXCDZDJUBPA-VIFPVBQESA-N 0 1 337.208 3.002 20 10 EGCDMN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)c(F)cc1O ZINC000816477507 1319161022 /nfs/dbraw/zinc/16/10/22/1319161022.db2.gz APVHOHQGCQQOOZ-INIZCTEOSA-N 0 1 349.789 3.285 20 10 EGCDMN O=S(=O)(CC[NH2+]Cc1ccc2ccccc2c1[O-])c1ccccc1 ZINC000816537928 1319178735 /nfs/dbraw/zinc/17/87/35/1319178735.db2.gz YRWRFKQPYLTRGC-UHFFFAOYSA-N 0 1 341.432 3.109 20 10 EGCDMN O=C1C[C@@H]([NH2+]Cc2ccc3ccccc3c2[O-])CN1c1ccccc1 ZINC000816543978 1319178848 /nfs/dbraw/zinc/17/88/48/1319178848.db2.gz UMMCKEKPZQZKGJ-QGZVFWFLSA-N 0 1 332.403 3.441 20 10 EGCDMN [O-]c1c(C[N@@H+]2CCOCC3(CCOCC3)C2)ccc2ccccc21 ZINC000816568758 1319185361 /nfs/dbraw/zinc/18/53/61/1319185361.db2.gz PIXFTHMGVRZWBJ-UHFFFAOYSA-N 0 1 327.424 3.174 20 10 EGCDMN [O-]c1c(C[N@H+]2CCOCC3(CCOCC3)C2)ccc2ccccc21 ZINC000816568758 1319185365 /nfs/dbraw/zinc/18/53/65/1319185365.db2.gz PIXFTHMGVRZWBJ-UHFFFAOYSA-N 0 1 327.424 3.174 20 10 EGCDMN C[C@@H](NCCc1ccc(N)cc1)c1ncc(Br)s1 ZINC000817956360 1319476284 /nfs/dbraw/zinc/47/62/84/1319476284.db2.gz XFADCOOOLNJARU-SECBINFHSA-N 0 1 326.263 3.381 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1[O-] ZINC000821336526 1320007265 /nfs/dbraw/zinc/00/72/65/1320007265.db2.gz CSZQLNCGRQCPMV-KRWDZBQOSA-N 0 1 345.418 3.093 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1[O-] ZINC000821336526 1320007268 /nfs/dbraw/zinc/00/72/68/1320007268.db2.gz CSZQLNCGRQCPMV-KRWDZBQOSA-N 0 1 345.418 3.093 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809450 1320286645 /nfs/dbraw/zinc/28/66/45/1320286645.db2.gz VFNZYLGOPQZSMH-AWEZNQCLSA-N 0 1 336.863 3.188 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cc1Cl ZINC000824809450 1320286649 /nfs/dbraw/zinc/28/66/49/1320286649.db2.gz VFNZYLGOPQZSMH-AWEZNQCLSA-N 0 1 336.863 3.188 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)cc1Cl ZINC000825127068 1320312662 /nfs/dbraw/zinc/31/26/62/1320312662.db2.gz VIHJMTGISAJTMC-LLVKDONJSA-N 0 1 336.785 3.328 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)cc1Cl ZINC000825173780 1320315963 /nfs/dbraw/zinc/31/59/63/1320315963.db2.gz RUQZQUXOYYCKAY-KRWDZBQOSA-N 0 1 344.842 3.245 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]CCc1ccc2c(c1)CCO2 ZINC000825283515 1320323396 /nfs/dbraw/zinc/32/33/96/1320323396.db2.gz MDSAVEUZOHCLKZ-UHFFFAOYSA-N 0 1 348.240 3.422 20 10 EGCDMN CC[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1[O-] ZINC000825284647 1320323758 /nfs/dbraw/zinc/32/37/58/1320323758.db2.gz VZZSJNRAYWYLSG-UFGOTCBOSA-N 0 1 330.350 3.106 20 10 EGCDMN Cc1ccoc1C(=O)NCCC[NH2+]Cc1cc(Cl)c(C)cc1[O-] ZINC000825297383 1320325046 /nfs/dbraw/zinc/32/50/46/1320325046.db2.gz DIOPJAOZNRXHKY-UHFFFAOYSA-N 0 1 336.819 3.165 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)cc1Cl ZINC000825353962 1320331348 /nfs/dbraw/zinc/33/13/48/1320331348.db2.gz QEDMVDQTGATFNH-BBRMVZONSA-N 0 1 327.877 3.498 20 10 EGCDMN COc1cc(CN2CCCC3(C2)OCCO3)c(O)c(C(C)(C)C)c1 ZINC000825451088 1320339959 /nfs/dbraw/zinc/33/99/59/1320339959.db2.gz PQTMHJUNEHWFHZ-UHFFFAOYSA-N 0 1 335.444 3.037 20 10 EGCDMN COc1ccc(C[N@H+](C)Cc2ccc(Br)cc2[O-])cn1 ZINC000825504708 1320344007 /nfs/dbraw/zinc/34/40/07/1320344007.db2.gz DAMJGWBAYPANIG-UHFFFAOYSA-N 0 1 337.217 3.190 20 10 EGCDMN COc1ccc(C[N@@H+](C)Cc2ccc(Br)cc2[O-])cn1 ZINC000825504708 1320344012 /nfs/dbraw/zinc/34/40/12/1320344012.db2.gz DAMJGWBAYPANIG-UHFFFAOYSA-N 0 1 337.217 3.190 20 10 EGCDMN Cc1cc([O-])c(C[N@@H+]2CCOC3(CCOCC3)CC2)cc1Cl ZINC000825535831 1320346279 /nfs/dbraw/zinc/34/62/79/1320346279.db2.gz CMAXRQHFIJFXNZ-UHFFFAOYSA-N 0 1 325.836 3.126 20 10 EGCDMN Cc1cc([O-])c(C[N@H+]2CCOC3(CCOCC3)CC2)cc1Cl ZINC000825535831 1320346282 /nfs/dbraw/zinc/34/62/82/1320346282.db2.gz CMAXRQHFIJFXNZ-UHFFFAOYSA-N 0 1 325.836 3.126 20 10 EGCDMN C[N@@H+](Cc1ccc(Br)cc1[O-])C1CCC(CO)CC1 ZINC000825935324 1320372623 /nfs/dbraw/zinc/37/26/23/1320372623.db2.gz QIEITLKDNIJDEH-UHFFFAOYSA-N 0 1 328.250 3.138 20 10 EGCDMN Cc1cc([O-])c(C[NH2+]CC(C)(C)[C@]2(O)CCCOC2)cc1Cl ZINC000827596139 1320461268 /nfs/dbraw/zinc/46/12/68/1320461268.db2.gz VJVOXBXKWZXBAY-KRWDZBQOSA-N 0 1 327.852 3.011 20 10 EGCDMN C[C@H](CC(=O)NCc1cc(Cl)cc(Cl)c1O)c1cnn(C)c1 ZINC000839772203 1320974536 /nfs/dbraw/zinc/97/45/36/1320974536.db2.gz ZLNKDTHRTNCJDO-SECBINFHSA-N 0 1 342.226 3.243 20 10 EGCDMN CS[C@H]1CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000840113398 1321031023 /nfs/dbraw/zinc/03/10/23/1321031023.db2.gz MCXXFBFCCOYHJF-AWEZNQCLSA-N 0 1 343.448 3.266 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN1CCC(C(=O)C(F)(F)F)CC1 ZINC000840939236 1321181581 /nfs/dbraw/zinc/18/15/81/1321181581.db2.gz VWQYRMQAPXWOIW-UHFFFAOYSA-N 0 1 328.378 3.404 20 10 EGCDMN COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841743482 1321305863 /nfs/dbraw/zinc/30/58/63/1321305863.db2.gz HPDGKYMVYLIQHM-LBPRGKRZSA-N 0 1 348.830 3.481 20 10 EGCDMN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCC1)c1ccc(Cl)cc1[O-] ZINC000841752339 1321306636 /nfs/dbraw/zinc/30/66/36/1321306636.db2.gz AAMSTNGZCWMAQE-NSHDSACASA-N 0 1 331.865 3.054 20 10 EGCDMN C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)c2c1c(F)ccc2[O-] ZINC000841763737 1321308732 /nfs/dbraw/zinc/30/87/32/1321308732.db2.gz QLKDQMOUTKNKJE-JSGCOSHPSA-N 0 1 337.435 3.237 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@H](N)c2ccc(C)cc2)cc1 ZINC000844167126 1321575539 /nfs/dbraw/zinc/57/55/39/1321575539.db2.gz QODIIOKBUXAZHP-HXUWFJFHSA-N 0 1 339.483 3.500 20 10 EGCDMN COc1ccc([N+](=O)[O-])cc1CN[C@@H](C)c1cccc(OC)c1O ZINC000846148076 1321772227 /nfs/dbraw/zinc/77/22/27/1321772227.db2.gz WZQYNZZTZHDAGM-NSHDSACASA-N 0 1 332.356 3.168 20 10 EGCDMN Cc1cc(C[N@@H+](C)[C@H](Cc2ccccc2)C(=O)[O-])ccc1N(C)C ZINC000846272476 1321781817 /nfs/dbraw/zinc/78/18/17/1321781817.db2.gz OTRYZKNBOFCLNQ-LJQANCHMSA-N 0 1 326.440 3.189 20 10 EGCDMN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)Cc2cnc[nH]2)cc1 ZINC000847303389 1321861283 /nfs/dbraw/zinc/86/12/83/1321861283.db2.gz AHBVFZZIHQTYLC-HNNXBMFYSA-N 0 1 328.460 3.093 20 10 EGCDMN C[C@H](NCc1cc(C(F)(F)F)nn1C)c1ccc(N(C)C)cc1 ZINC000850252058 1322216602 /nfs/dbraw/zinc/21/66/02/1322216602.db2.gz LCNOQBHJBRDVGF-NSHDSACASA-N 0 1 326.366 3.356 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000862374477 1329479758 /nfs/dbraw/zinc/47/97/58/1329479758.db2.gz MQVAHPOFORRQTD-CYBMUJFWSA-N 0 1 340.261 3.403 20 10 EGCDMN [O-]c1cccc(Br)c1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000862374477 1329479760 /nfs/dbraw/zinc/47/97/60/1329479760.db2.gz MQVAHPOFORRQTD-CYBMUJFWSA-N 0 1 340.261 3.403 20 10 EGCDMN CC1(C)C[C@H](O)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862388227 1329481152 /nfs/dbraw/zinc/48/11/52/1329481152.db2.gz YDCJXBPGVRMDDE-LLVKDONJSA-N 0 1 328.250 3.138 20 10 EGCDMN CC1(C)C[C@H](O)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862388227 1329481153 /nfs/dbraw/zinc/48/11/53/1329481153.db2.gz YDCJXBPGVRMDDE-LLVKDONJSA-N 0 1 328.250 3.138 20 10 EGCDMN CCOC[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862244447 1329470342 /nfs/dbraw/zinc/47/03/42/1329470342.db2.gz AZVUVAAVGYKDJO-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN CCOC[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862244447 1329470344 /nfs/dbraw/zinc/47/03/44/1329470344.db2.gz AZVUVAAVGYKDJO-GFCCVEGCSA-N 0 1 328.250 3.403 20 10 EGCDMN CCC1(CO)CC[NH+](Cc2c([O-])cccc2Br)CC1 ZINC000862248233 1329470834 /nfs/dbraw/zinc/47/08/34/1329470834.db2.gz UAXHEPWUSRZFAP-UHFFFAOYSA-N 0 1 328.250 3.139 20 10 EGCDMN Oc1cc(Br)cc(F)c1CN1CCc2cnccc2C1 ZINC001233026849 1376556605 /nfs/dbraw/zinc/55/66/05/1376556605.db2.gz GTJDMBYNFLGVTL-UHFFFAOYSA-N 0 1 337.192 3.247 20 10 EGCDMN Oc1cc(Br)cc(F)c1CN1CCC(F)(F)[C@H](F)C1 ZINC001233028783 1376557466 /nfs/dbraw/zinc/55/74/66/1376557466.db2.gz VIBWLVXOZTXVRO-LLVKDONJSA-N 0 1 342.130 3.473 20 10 EGCDMN COc1ccccc1[C@@H]1CCN(C(=O)c2cc(O)c(O)c(Cl)c2)C1 ZINC001193589381 1368067742 /nfs/dbraw/zinc/06/77/42/1368067742.db2.gz JQUHBYZUSNILCT-LLVKDONJSA-N 0 1 347.798 3.390 20 10 EGCDMN 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CC[C@@H]([NH2+][C@@H](CCSC)C(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000806663203 1317517408 /nfs/dbraw/zinc/51/74/08/1317517408.db2.gz UGSLSBYIUVETFL-KGLIPLIRSA-N 0 1 344.908 3.296 20 10 EGCDMN CCc1noc(C)c1C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807836713 1317589912 /nfs/dbraw/zinc/58/99/12/1317589912.db2.gz LJNNOPQRXXFVCQ-UHFFFAOYSA-N 0 1 329.183 3.488 20 10 EGCDMN CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000807838684 1317591266 /nfs/dbraw/zinc/59/12/66/1317591266.db2.gz OHKLGZISTMAEQJ-CYBMUJFWSA-N 0 1 331.243 3.190 20 10 EGCDMN COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C ZINC000808114153 1317626465 /nfs/dbraw/zinc/62/64/65/1317626465.db2.gz SBMXPLYIRKDQKU-UHFFFAOYSA-N 0 1 345.779 3.303 20 10 EGCDMN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3cc(Cl)ccc3[O-])[C@H]2C1 ZINC000808724041 1317722929 /nfs/dbraw/zinc/72/29/29/1317722929.db2.gz RYNSYPLONBLTQY-DTJGQCLQSA-N 0 1 336.863 3.343 20 10 EGCDMN CC(=O)c1cc(F)cc(C[N@@H+]2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)c1O ZINC000903949955 1317755720 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ZINC000822504594 1320090389 /nfs/dbraw/zinc/09/03/89/1320090389.db2.gz WPKKMOKINFIXAT-MRXNPFEDSA-N 0 1 331.439 3.101 20 10 EGCDMN CCN(CC)c1ccc(CN2CCC[C@@H](n3ccnn3)C2)cc1F ZINC000822504594 1320090394 /nfs/dbraw/zinc/09/03/94/1320090394.db2.gz WPKKMOKINFIXAT-MRXNPFEDSA-N 0 1 331.439 3.101 20 10 EGCDMN Oc1cc2c(cc1CN1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)OCO2 ZINC000822525618 1320093939 /nfs/dbraw/zinc/09/39/39/1320093939.db2.gz KATKRTDTQXBKAO-RDTXWAMCSA-N 0 1 347.798 3.082 20 10 EGCDMN O=C(NCc1cc(Cl)cc(Cl)c1O)C1(Br)CC1 ZINC000822949992 1320140333 /nfs/dbraw/zinc/14/03/33/1320140333.db2.gz WEZRZYKPVAROGE-UHFFFAOYSA-N 0 1 339.016 3.243 20 10 EGCDMN COCC1CCC([NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000824376784 1320252771 /nfs/dbraw/zinc/25/27/71/1320252771.db2.gz OCYSFYQFFJUCQD-UHFFFAOYSA-N 0 1 328.250 3.450 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000825206388 1320318245 /nfs/dbraw/zinc/31/82/45/1320318245.db2.gz YMBBLYAMCPOGPG-OAHLLOKOSA-N 0 1 328.250 3.186 20 10 EGCDMN COCC1(C[NH2+]Cc2cc(Br)ccc2[O-])CCCC1 ZINC000825244901 1320321572 /nfs/dbraw/zinc/32/15/72/1320321572.db2.gz BAHBPOJYWXESFA-UHFFFAOYSA-N 0 1 328.250 3.451 20 10 EGCDMN C[C@](O)(C[NH2+]Cc1ccc(Br)cc1[O-])c1ccccc1 ZINC000825283320 1320323032 /nfs/dbraw/zinc/32/30/32/1320323032.db2.gz IYANWPCPNVXJKQ-INIZCTEOSA-N 0 1 336.229 3.152 20 10 EGCDMN COC[C@H](NCc1ccc(Br)cc1O)c1ccco1 ZINC000825325145 1320327587 /nfs/dbraw/zinc/32/75/87/1320327587.db2.gz BJASFTQKNMTVJZ-LBPRGKRZSA-N 0 1 326.190 3.225 20 10 EGCDMN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)cc1Cl ZINC000825357382 1320331396 /nfs/dbraw/zinc/33/13/96/1320331396.db2.gz DOKRFVVDPRVWQM-CYBMUJFWSA-N 0 1 335.810 3.257 20 10 EGCDMN C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(Br)cc1[O-] ZINC000825927334 1320371529 /nfs/dbraw/zinc/37/15/29/1320371529.db2.gz BXBIYNPUVOPYLK-HNNXBMFYSA-N 0 1 328.250 3.282 20 10 EGCDMN C[C@@]1(CCCO)CCC[N@H+]1Cc1ccc(Br)cc1[O-] ZINC000825927334 1320371532 /nfs/dbraw/zinc/37/15/32/1320371532.db2.gz BXBIYNPUVOPYLK-HNNXBMFYSA-N 0 1 328.250 3.282 20 10 EGCDMN [O-]c1cc(Br)ccc1C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000826063980 1320381544 /nfs/dbraw/zinc/38/15/44/1320381544.db2.gz BQQNNRRYAJYEDX-HOCLYGCPSA-N 0 1 340.261 3.041 20 10 EGCDMN CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000838743709 1320810806 /nfs/dbraw/zinc/81/08/06/1320810806.db2.gz WJYIKUKIYYPTKP-TXEJJXNPSA-N 0 1 347.242 3.454 20 10 EGCDMN COc1c([O-])c(C[NH+]2CC(Cc3ccccc3C)C2)ccc1[N+](=O)[O-] ZINC000839132042 1320877703 /nfs/dbraw/zinc/87/77/03/1320877703.db2.gz VPBQCINQEDYUQU-UHFFFAOYSA-N 0 1 342.395 3.292 20 10 EGCDMN C[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)cc(Cl)c2O)CS1 ZINC000840413199 1321088350 /nfs/dbraw/zinc/08/83/50/1321088350.db2.gz DRHQDVGTACRXAW-GMSGAONNSA-N 0 1 335.256 3.392 20 10 EGCDMN Cc1cc(N(C)C)ccc1CN(C)Cc1ccc([S@](C)=O)cc1 ZINC000840915532 1321176640 /nfs/dbraw/zinc/17/66/40/1321176640.db2.gz CRFMJALLZDXALS-QHCPKHFHSA-N 0 1 330.497 3.430 20 10 EGCDMN CCN(Cc1ccc(C)nn1)Cc1cc(Br)ccc1O ZINC000840922574 1321177986 /nfs/dbraw/zinc/17/79/86/1321177986.db2.gz MPHRETNDWYIRBJ-UHFFFAOYSA-N 0 1 336.233 3.275 20 10 EGCDMN Cn1ncc2c1CCC[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000840954661 1321185765 /nfs/dbraw/zinc/18/57/65/1321185765.db2.gz MAGJDDNPHNIKBO-UHFFFAOYSA-N 0 1 326.227 3.381 20 10 EGCDMN Cn1ncc2c1CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC000840954661 1321185768 /nfs/dbraw/zinc/18/57/68/1321185768.db2.gz MAGJDDNPHNIKBO-UHFFFAOYSA-N 0 1 326.227 3.381 20 10 EGCDMN CN(C)c1ccc(C[N@H+]2CCCC[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000840997662 1321196656 /nfs/dbraw/zinc/19/66/56/1321196656.db2.gz XRRBFUZXGNHDGS-AWEZNQCLSA-N 0 1 330.350 3.211 20 10 EGCDMN Cc1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])c1 ZINC000841745066 1321305396 /nfs/dbraw/zinc/30/53/96/1321305396.db2.gz NBYQYCXGCWXLEP-HIFRSBDPSA-N 0 1 335.831 3.445 20 10 EGCDMN CC[C@H]1CN(Cc2ccc(N3CCC(OC)CC3)cc2)[C@H](C)CO1 ZINC000844390825 1321599109 /nfs/dbraw/zinc/59/91/09/1321599109.db2.gz KOJCQQUAGYMMHT-APWZRJJASA-N 0 1 332.488 3.301 20 10 EGCDMN CCc1cccc(CN(C)[C@H]2CCN(Cc3ccccc3)C2=O)c1O ZINC000848905260 1322041957 /nfs/dbraw/zinc/04/19/57/1322041957.db2.gz FTIRNFCQIVMEBY-IBGZPJMESA-N 0 1 338.451 3.188 20 10 EGCDMN Cn1nc(C(F)(F)F)cc1CNCc1ccc2c(c1)CCCN2C ZINC000850099788 1322192335 /nfs/dbraw/zinc/19/23/35/1322192335.db2.gz YHFYMQBRSLVEOE-UHFFFAOYSA-N 0 1 338.377 3.111 20 10 EGCDMN COc1cc(CN[C@H](c2nncn2C)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000850294223 1322224163 /nfs/dbraw/zinc/22/41/63/1322224163.db2.gz YJBCGIZBTYRLKK-INIZCTEOSA-N 0 1 346.475 3.314 20 10 EGCDMN CCCN1CC[C@H]([NH2+][C@H](C)c2ccc(Br)cc2[O-])C1 ZINC000850557859 1322267702 /nfs/dbraw/zinc/26/77/02/1322267702.db2.gz YVUVFWQJUQQFQR-YPMHNXCESA-N 0 1 327.266 3.290 20 10 EGCDMN CC[C@@H]([NH2+]CCN(C)C(=O)OC)c1ccc(C(F)(F)F)cc1[O-] ZINC000850547054 1322263751 /nfs/dbraw/zinc/26/37/51/1322263751.db2.gz ABTYWAWQTBYFCK-GFCCVEGCSA-N 0 1 334.338 3.150 20 10 EGCDMN CC(C)[C@H]([NH2+]Cc1c([O-])cccc1Br)c1cnn(C)c1 ZINC000922890266 1322641878 /nfs/dbraw/zinc/64/18/78/1322641878.db2.gz KNMCKABYLAYJQY-HNNXBMFYSA-N 0 1 338.249 3.375 20 10 EGCDMN Oc1ccccc1CN(Cc1cc(C2CC2)no1)C[C@H]1CCCO1 ZINC000851841846 1323099778 /nfs/dbraw/zinc/09/97/78/1323099778.db2.gz YIEHDDCCOZRSKK-MRXNPFEDSA-N 0 1 328.412 3.439 20 10 EGCDMN CC1(C)C[C@@H](O)CC[N@H+](Cc2c([O-])cccc2Br)C1 ZINC000862388229 1329481268 /nfs/dbraw/zinc/48/12/68/1329481268.db2.gz YDCJXBPGVRMDDE-NSHDSACASA-N 0 1 328.250 3.138 20 10 EGCDMN CC1(C)C[C@@H](O)CC[N@@H+](Cc2c([O-])cccc2Br)C1 ZINC000862388229 1329481270 /nfs/dbraw/zinc/48/12/70/1329481270.db2.gz YDCJXBPGVRMDDE-NSHDSACASA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@H]([NH2+]C[C@H](n1cncn1)C(F)(F)F)c1cc(Cl)ccc1[O-] ZINC000866436245 1330112215 /nfs/dbraw/zinc/11/22/15/1330112215.db2.gz LJCLDYMQUATIPJ-UFBFGSQYSA-N 0 1 334.729 3.091 20 10 EGCDMN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCC[C@]12CCOC2 ZINC001233029336 1376557015 /nfs/dbraw/zinc/55/70/15/1376557015.db2.gz CAXGNPJWGQRRQS-CQSZACIVSA-N 0 1 330.197 3.049 20 10 EGCDMN Cc1cc(Br)cc(CN2CC[C@@H]3CCO[C@H]3C2)c1O ZINC001233108397 1376571212 /nfs/dbraw/zinc/57/12/12/1376571212.db2.gz MANAFXDBXXZWGJ-RISCZKNCSA-N 0 1 326.234 3.074 20 10 EGCDMN CC[C@H]1CCC[N@H+]1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233308483 1376607885 /nfs/dbraw/zinc/60/78/85/1376607885.db2.gz SJSIPQPOLOOFTK-LBPRGKRZSA-N 0 1 342.233 3.316 20 10 EGCDMN CCNc1ccnc(Cl)c1NC(=O)c1cc(O)c(O)c(Cl)c1 ZINC001193606129 1368072257 /nfs/dbraw/zinc/07/22/57/1368072257.db2.gz UBAMEKWJCVBRKK-UHFFFAOYSA-N 0 1 342.182 3.484 20 10 EGCDMN O=S(=O)(Cc1cc(Cl)ccc1Cl)Nc1cccc(O)c1O ZINC001197529515 1368832976 /nfs/dbraw/zinc/83/29/76/1368832976.db2.gz QDPJBHYIWLROJN-UHFFFAOYSA-N 0 1 348.207 3.347 20 10 EGCDMN CCN(Cc1ccccc1O)Cc1c(OC)cc(OC)cc1OC ZINC001203517188 1370151832 /nfs/dbraw/zinc/15/18/32/1370151832.db2.gz LFLXXGOQEJFEIC-UHFFFAOYSA-N 0 1 331.412 3.440 20 10 EGCDMN COc1ccc(CN2CCO[C@](C)(c3ccc(C)cc3)C2)c(O)c1 ZINC001203629016 1370193308 /nfs/dbraw/zinc/19/33/08/1370193308.db2.gz OAZVEKZBTFLLCC-FQEVSTJZSA-N 0 1 327.424 3.457 20 10 EGCDMN C[C@@H]1C[N@H+](Cc2cc(Br)ccc2[O-])CCC[C@@]1(C)O ZINC001203636565 1370196196 /nfs/dbraw/zinc/19/61/96/1370196196.db2.gz XIQZSRNEZFTOAW-IAQYHMDHSA-N 0 1 328.250 3.138 20 10 EGCDMN C[C@@H]1C[N@@H+](Cc2cc(Br)ccc2[O-])CCC[C@@]1(C)O ZINC001203636565 1370196200 /nfs/dbraw/zinc/19/62/00/1370196200.db2.gz XIQZSRNEZFTOAW-IAQYHMDHSA-N 0 1 328.250 3.138 20 10 EGCDMN [O-]c1ccc(Cl)cc1C[NH+]1CCC2(CC(N3CCCC3)=NO2)CC1 ZINC001203657998 1370205152 /nfs/dbraw/zinc/20/51/52/1370205152.db2.gz PVXGTIDXEARRNG-UHFFFAOYSA-N 0 1 349.862 3.210 20 10 EGCDMN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001203878089 1370297513 /nfs/dbraw/zinc/29/75/13/1370297513.db2.gz PQDQJXKOFHPCOU-CABCVRRESA-N 0 1 348.443 3.072 20 10 EGCDMN O=C1CC2(CCN(Cc3ccc(O)cc3O)CC2)Oc2ccccc21 ZINC001204279390 1370430511 /nfs/dbraw/zinc/43/05/11/1370430511.db2.gz XNMBQDWWGGPONT-UHFFFAOYSA-N 0 1 339.391 3.098 20 10 EGCDMN CC(C)(C)OC(=O)NCC1CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204326266 1370444795 /nfs/dbraw/zinc/44/47/95/1370444795.db2.gz WNQXZQMNEVRJFG-UHFFFAOYSA-N 0 1 345.487 3.243 20 10 EGCDMN FC(F)(F)Oc1ccc(N2CCN(C[C@H]3CCC=CO3)CC2)cc1 ZINC001208884909 1371932067 /nfs/dbraw/zinc/93/20/67/1371932067.db2.gz CWRKYNCFZPZMSR-MRXNPFEDSA-N 0 1 342.361 3.400 20 10 EGCDMN CN(C)c1ccc(CNCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001326643336 1388266490 /nfs/dbraw/zinc/26/64/90/1388266490.db2.gz NLEZTZKTWLQENW-UHFFFAOYSA-N 0 1 339.361 3.379 20 10 EGCDMN CC[C@H]1CC[C@H](Oc2c(O)c(C(=O)OC)sc2C(=O)OC)CC1 ZINC001227623771 1375455606 /nfs/dbraw/zinc/45/56/06/1375455606.db2.gz WERNIKPVKCDPHR-MGCOHNPYSA-N 0 1 342.413 3.375 20 10 EGCDMN CC(C)[N@H+]1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937258 1375493018 /nfs/dbraw/zinc/49/30/18/1375493018.db2.gz GXKZFECFZKVHEL-OAHLLOKOSA-N 0 1 341.407 3.190 20 10 EGCDMN CC(C)N1CC[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccccc2)C1 ZINC001227937258 1375493020 /nfs/dbraw/zinc/49/30/20/1375493020.db2.gz GXKZFECFZKVHEL-OAHLLOKOSA-N 0 1 341.407 3.190 20 10 EGCDMN O=C(Nc1c2nonc2ccc1Cl)c1nc(Cl)ccc1F ZINC001327165965 1388419665 /nfs/dbraw/zinc/41/96/65/1388419665.db2.gz AVMJKPJEOBPGAA-UHFFFAOYSA-N 0 1 327.102 3.316 20 10 EGCDMN O=C([O-])c1ccc(O)c(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)c1 ZINC001231559697 1376263399 /nfs/dbraw/zinc/26/33/99/1376263399.db2.gz ITKZQCFXKNZLQX-FQEVSTJZSA-N 0 1 348.402 3.497 20 10 EGCDMN COc1cc(CN2CCN(c3ccc(C)cc3C)CC2)c(O)cc1O ZINC001231637680 1376289361 /nfs/dbraw/zinc/28/93/61/1376289361.db2.gz QKDCHFPVZWSZBX-UHFFFAOYSA-N 0 1 342.439 3.045 20 10 EGCDMN Cc1cc([O-])c(C[NH+]2CCC(NC(=O)C3CCC3)CC2)cc1Cl ZINC001231870493 1376332069 /nfs/dbraw/zinc/33/20/69/1376332069.db2.gz GEDDSGDZJITXOL-UHFFFAOYSA-N 0 1 336.863 3.235 20 10 EGCDMN O=C(c1ccccc1F)N1CCN(Cc2cccc(Cl)c2O)CC1 ZINC001231911860 1376349095 /nfs/dbraw/zinc/34/90/95/1376349095.db2.gz OONDBLOBXPKMAH-UHFFFAOYSA-N 0 1 348.805 3.143 20 10 EGCDMN [O-]c1c(C[NH+]2CCN(c3noc4ccccc43)CC2)ccc(F)c1F ZINC001233074839 1376562746 /nfs/dbraw/zinc/56/27/46/1376562746.db2.gz YILNLGOZWGQPCR-UHFFFAOYSA-N 0 1 345.349 3.134 20 10 EGCDMN COCC[C@@H]1CO[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)c(F)c1[O-])C2 ZINC001233074488 1376562783 /nfs/dbraw/zinc/56/27/83/1376562783.db2.gz JHPIKNFVLLODSA-SCLBCKFNSA-N 0 1 341.398 3.078 20 10 EGCDMN COc1cc(Cl)cc(CN2CCC(c3nnc(C)o3)CC2)c1O ZINC001233290782 1376605576 /nfs/dbraw/zinc/60/55/76/1376605576.db2.gz VWZDHACVZFAFLF-UHFFFAOYSA-N 0 1 337.807 3.125 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001233336173 1376618834 /nfs/dbraw/zinc/61/88/34/1376618834.db2.gz BKCMALNFZSNTSG-CRAIPNDOSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1ccc(F)c(F)c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC001233336173 1376618841 /nfs/dbraw/zinc/61/88/41/1376618841.db2.gz BKCMALNFZSNTSG-CRAIPNDOSA-N 0 1 344.405 3.377 20 10 EGCDMN O=C(c1ccc(F)cc1)C1CCN(Cc2cc(O)c(O)cc2O)CC1 ZINC001233482414 1376653433 /nfs/dbraw/zinc/65/34/33/1376653433.db2.gz MRKNXVCKYYCBHX-UHFFFAOYSA-N 0 1 345.370 3.037 20 10 EGCDMN [O-]c1cc(O)c(CN2CC[NH2+]C[C@@H]2c2ccc(F)cc2)cc1Cl ZINC001236128828 1376934562 /nfs/dbraw/zinc/93/45/62/1376934562.db2.gz JCIVUMPDFFIGSM-OAHLLOKOSA-N 0 1 336.794 3.037 20 10 EGCDMN C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237052906 1376971773 /nfs/dbraw/zinc/97/17/73/1376971773.db2.gz DUVPNXSWWOMQAH-WBMJQRKESA-N 0 1 347.377 3.316 20 10 EGCDMN C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2[O-])CC[C@]1(C)O ZINC001237052906 1376971776 /nfs/dbraw/zinc/97/17/76/1376971776.db2.gz DUVPNXSWWOMQAH-WBMJQRKESA-N 0 1 347.377 3.316 20 10 EGCDMN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1O ZINC001237058909 1376973146 /nfs/dbraw/zinc/97/31/46/1376973146.db2.gz LQBDGBBRWUSHHV-AWEZNQCLSA-N 0 1 333.350 3.069 20 10 EGCDMN COC(=O)Cc1ccc(CN2CCc3cc(Cl)ccc3C2)c(O)c1 ZINC001249208318 1377073271 /nfs/dbraw/zinc/07/32/71/1377073271.db2.gz RVECCRROPAHJKT-UHFFFAOYSA-N 0 1 345.826 3.319 20 10 EGCDMN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCC[N@H+]1Cc1c([O-])cccc1F ZINC001137841906 1377628724 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Cc1cc(F)ccc1N1CC[NH+](Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139686542 1377934169 /nfs/dbraw/zinc/93/41/69/1377934169.db2.gz AHISEUSCHHVOKK-UHFFFAOYSA-N 0 1 336.357 3.440 20 10 EGCDMN [O-]c1c(F)ccc(F)c1CN1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC001139686569 1377934826 /nfs/dbraw/zinc/93/48/26/1377934826.db2.gz AZDGPNXDYQBGOJ-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001139686569 1377934829 /nfs/dbraw/zinc/93/48/29/1377934829.db2.gz AZDGPNXDYQBGOJ-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN [O-]c1c(F)ccc(F)c1C[N@H+]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001139686569 1377934833 /nfs/dbraw/zinc/93/48/33/1377934833.db2.gz AZDGPNXDYQBGOJ-BEFAXECRSA-N 0 1 344.405 3.377 20 10 EGCDMN C[N@@H+](CCCCNC(=O)OC(C)(C)C)Cc1c(F)ccc(F)c1[O-] ZINC001139686885 1377934965 /nfs/dbraw/zinc/93/49/65/1377934965.db2.gz HWMWMMKIQGDOFJ-UHFFFAOYSA-N 0 1 344.402 3.407 20 10 EGCDMN O=C(C1CCCCC1)N1CCCN(Cc2cc(F)ccc2O)CC1 ZINC001140058504 1377998316 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EGCDMN OC[C@H](NCc1ccccc1O)c1ccccc1OC(F)(F)F ZINC000280411798 455966805 /nfs/dbraw/zinc/96/68/05/455966805.db2.gz YOOKJLBXYRHQLT-ZDUSSCGKSA-N 0 1 327.302 3.114 20 10 EGCDMN Cc1ccc([C@H](NCc2cccc(C)c2O)[C@H](C)S(C)(=O)=O)cc1 ZINC000280844622 456064345 /nfs/dbraw/zinc/06/43/45/456064345.db2.gz YSHDWIZXGGXFBY-MAUKXSAKSA-N 0 1 347.480 3.273 20 10 EGCDMN C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1ccc(Br)cc1[O-] ZINC000287387534 456068487 /nfs/dbraw/zinc/06/84/87/456068487.db2.gz INYVFXJVRDIYFN-GRYCIOLGSA-N 0 1 328.250 3.478 20 10 EGCDMN CCN1CCN(c2ccc(CNc3nc(C(C)C)no3)cc2F)CC1 ZINC000301348266 456096689 /nfs/dbraw/zinc/09/66/89/456096689.db2.gz UPLQHRUWJBTASY-UHFFFAOYSA-N 0 1 347.438 3.086 20 10 EGCDMN CC[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290336971 456297966 /nfs/dbraw/zinc/29/79/66/456297966.db2.gz FDGJGYSESHJFLO-CQSZACIVSA-N 0 1 331.372 3.287 20 10 EGCDMN CC[C@H](c1ccncc1)[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290336971 456297969 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CC[C@H]([NH2+][C@H](CO)CC(F)F)c1ccc(C(F)(F)F)cc1[O-] ZINC000810238918 1317983609 /nfs/dbraw/zinc/98/36/09/1317983609.db2.gz UBYDXJAIYZLWNN-ONGXEEELSA-N 0 1 327.293 3.468 20 10 EGCDMN O=C(Nc1ccc2oc(CN3CCCC3)nc2c1)C1=CC(=O)CS1 ZINC000908408255 1318338577 /nfs/dbraw/zinc/33/85/77/1318338577.db2.gz MVZAPUCSARBFHT-UHFFFAOYSA-N 0 1 343.408 3.443 20 10 EGCDMN CC[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])C[C@H](C)OC ZINC000812303164 1318361703 /nfs/dbraw/zinc/36/17/03/1318361703.db2.gz MMKSIXQAANTRFF-AWEZNQCLSA-N 0 1 343.423 3.186 20 10 EGCDMN COc1ccc(N2CCC(Nc3cnccc3-n3cccn3)CC2)cc1 ZINC000812842748 1318469025 /nfs/dbraw/zinc/46/90/25/1318469025.db2.gz RWUXUJNWBRWHEH-UHFFFAOYSA-N 0 1 349.438 3.357 20 10 EGCDMN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc3ccccc3c1[O-])CC2 ZINC000816514601 1319171244 /nfs/dbraw/zinc/17/12/44/1319171244.db2.gz BZZGNRAWXGWYTM-MOPGFXCFSA-N 0 1 341.451 3.297 20 10 EGCDMN CCO[C@H](C)c1noc(CN(C)Cc2cc(Cl)c(F)cc2O)n1 ZINC000816516788 1319173005 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