smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(OCC)c2O)C1 ZINC000092456529 185319511 /nfs/dbraw/zinc/31/95/11/185319511.db2.gz RLQSYJHHDKQMOE-AWEZNQCLSA-N 1 1 307.390 2.566 20 10 DFCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092734345 185337056 /nfs/dbraw/zinc/33/70/56/185337056.db2.gz UMPSZPYTLJKQQH-AWEZNQCLSA-N 1 1 320.433 2.529 20 10 DFCDMO Cc1nc(C[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3O)C2)no1 ZINC000092814210 185343435 /nfs/dbraw/zinc/34/34/35/185343435.db2.gz UHMVEACRPHGBOL-AWEZNQCLSA-N 1 1 301.390 2.847 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)cc1 ZINC000092075253 282289565 /nfs/dbraw/zinc/28/95/65/282289565.db2.gz GKZLLSSBTAZHQM-LJQANCHMSA-N 1 1 323.440 2.816 20 10 DFCDMO CC(C)(C)[C@@H](O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000283993581 535059167 /nfs/dbraw/zinc/05/91/67/535059167.db2.gz MYZMCLZWEUMBJI-RDJZCZTQSA-N 1 1 307.434 2.780 20 10 DFCDMO C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000093482001 398639678 /nfs/dbraw/zinc/63/96/78/398639678.db2.gz DNYULVDLLRUKEI-GWCFXTLKSA-N 1 1 314.223 2.890 20 10 DFCDMO C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273403487 299271804 /nfs/dbraw/zinc/27/18/04/299271804.db2.gz NSTGSCQVVKTKAU-NSHDSACASA-N 1 1 305.378 2.578 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000079438491 399045260 /nfs/dbraw/zinc/04/52/60/399045260.db2.gz XMWPZNRZKMGPRS-LBPRGKRZSA-N 1 1 317.364 2.837 20 10 DFCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000093413921 193246723 /nfs/dbraw/zinc/24/67/23/193246723.db2.gz PXHQZLNALWILRX-AWEZNQCLSA-N 1 1 313.463 2.654 20 10 DFCDMO CC[N@@H+](Cc1cc(C)c(C)cc1O)[C@H](C)CS(=O)(=O)CC ZINC000093413922 193247517 /nfs/dbraw/zinc/24/75/17/193247517.db2.gz PXHQZLNALWILRX-CQSZACIVSA-N 1 1 313.463 2.654 20 10 DFCDMO COc1cccc(C[N@@H+](C)[C@H](CCO)c2ccccc2)c1O ZINC000093442658 193252441 /nfs/dbraw/zinc/25/24/41/193252441.db2.gz CJIUORXWWIMDCH-MRXNPFEDSA-N 1 1 301.386 2.956 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCc3ccccc3[C@H]2CO)c1 ZINC000093455623 193254418 /nfs/dbraw/zinc/25/44/18/193254418.db2.gz MLCWVAQEHFKQCP-GOSISDBHSA-N 1 1 313.397 2.883 20 10 DFCDMO OC[C@@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000365256081 285277045 /nfs/dbraw/zinc/27/70/45/285277045.db2.gz LTLIZBPHFHZPCK-WMLDXEAASA-N 1 1 301.361 2.917 20 10 DFCDMO CCCCNC(=O)C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272275886 130015080 /nfs/dbraw/zinc/01/50/80/130015080.db2.gz MCZITFKOEHTTID-UHFFFAOYSA-N 1 1 308.397 2.660 20 10 DFCDMO Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000272486500 130034590 /nfs/dbraw/zinc/03/45/90/130034590.db2.gz DBFGLTNYEJQKLT-WDEREUQCSA-N 1 1 314.223 2.666 20 10 DFCDMO CC[C@@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)N1CCCC1 ZINC000273444818 130121903 /nfs/dbraw/zinc/12/19/03/130121903.db2.gz ZTDWYQQKTZMZJJ-HIFRSBDPSA-N 1 1 320.433 2.704 20 10 DFCDMO C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(F)cc1O ZINC000283448332 130992541 /nfs/dbraw/zinc/99/25/41/130992541.db2.gz UKIOSTJTDBGWHV-DCGLDWPTSA-N 1 1 323.408 2.750 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1OC ZINC000283864066 131029686 /nfs/dbraw/zinc/02/96/86/131029686.db2.gz CISULMXAGGOGIX-UKRRQHHQSA-N 1 1 307.390 2.553 20 10 DFCDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cccc(C)c1O ZINC000284798149 131111627 /nfs/dbraw/zinc/11/16/27/131111627.db2.gz ZSZIURNVKHPTCX-IXDOHACOSA-N 1 1 305.418 2.717 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1O ZINC000284823349 131113936 /nfs/dbraw/zinc/11/39/36/131113936.db2.gz AHDWNFIPNPYYIH-ABAIWWIYSA-N 1 1 311.809 2.889 20 10 DFCDMO CCNC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)c(F)c1 ZINC000285182162 131145697 /nfs/dbraw/zinc/14/56/97/131145697.db2.gz QFHGJXZERNWETM-OAHLLOKOSA-N 1 1 321.440 2.772 20 10 DFCDMO COC(=O)[C@]12C[N@@H+](Cc3cccc(OC)c3O)C[C@H]1CCCC2 ZINC000285198686 131146563 /nfs/dbraw/zinc/14/65/63/131146563.db2.gz QTTVENYIOBSBCY-RDTXWAMCSA-N 1 1 319.401 2.566 20 10 DFCDMO CC[C@@H]([NH2+]CCN1CCOC(C)(C)C1)c1ccc(F)cc1O ZINC000285914607 131208810 /nfs/dbraw/zinc/20/88/10/131208810.db2.gz DMAYEJIQEYSUEI-OAHLLOKOSA-N 1 1 310.413 2.683 20 10 DFCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000286342591 131231222 /nfs/dbraw/zinc/23/12/22/131231222.db2.gz GOFKOEDUXHLKEO-KRWDZBQOSA-N 1 1 303.450 2.633 20 10 DFCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(C(C)=O)c4O)[C@H]1[C@H]3C2 ZINC000286422985 131235510 /nfs/dbraw/zinc/23/55/10/131235510.db2.gz IMVLYEXHPXHBCR-DOGAXHHXSA-N 1 1 319.376 2.589 20 10 DFCDMO CCNC(=O)C1(C[NH2+][C@H](CC)c2ccc(F)cc2O)CCC1 ZINC000287736579 131298058 /nfs/dbraw/zinc/29/80/58/131298058.db2.gz YRBXPRHXSTYFMT-CQSZACIVSA-N 1 1 308.397 2.878 20 10 DFCDMO Oc1ccccc1C[N@@H+](CCOC1CCC1)C[C@H]1CCCO1 ZINC000287958696 131308394 /nfs/dbraw/zinc/30/83/94/131308394.db2.gz YNQNSIYMIFMDDE-QGZVFWFLSA-N 1 1 305.418 2.942 20 10 DFCDMO COc1cccc(C[N@@H+]2CCCC[C@H]2c2nc(C)no2)c1O ZINC000289138594 131361506 /nfs/dbraw/zinc/36/15/06/131361506.db2.gz ABVICNGXWYJEIW-ZDUSSCGKSA-N 1 1 303.362 2.819 20 10 DFCDMO COc1cccc(C[N@H+]2CCCC[C@H]2c2nc(C)no2)c1O ZINC000289138594 131361507 /nfs/dbraw/zinc/36/15/07/131361507.db2.gz ABVICNGXWYJEIW-ZDUSSCGKSA-N 1 1 303.362 2.819 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC000289181643 131364155 /nfs/dbraw/zinc/36/41/55/131364155.db2.gz AOLCLSFIMWPEJL-ZDUSSCGKSA-N 1 1 321.417 2.955 20 10 DFCDMO CN(C)c1ccc(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000289329268 131374580 /nfs/dbraw/zinc/37/45/80/131374580.db2.gz HLSUTAFIOUDLPS-GOSISDBHSA-N 1 1 321.440 2.581 20 10 DFCDMO CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000289569947 131396891 /nfs/dbraw/zinc/39/68/91/131396891.db2.gz SKPDXKSPQMBSMB-AWEZNQCLSA-N 1 1 322.405 2.501 20 10 DFCDMO CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1cccc(OC)c1O ZINC000289569948 131397071 /nfs/dbraw/zinc/39/70/71/131397071.db2.gz SKPDXKSPQMBSMB-CQSZACIVSA-N 1 1 322.405 2.501 20 10 DFCDMO CC[N@@H+](Cc1cn2cccnc2n1)Cc1ccc(N(C)C)cc1 ZINC000298161203 132048938 /nfs/dbraw/zinc/04/89/38/132048938.db2.gz IMJTXKPZETZDKT-UHFFFAOYSA-N 1 1 309.417 2.817 20 10 DFCDMO C[N@@H+](CCCNC(=O)NCc1ccccc1O)C1CCCCC1 ZINC000299532836 132109973 /nfs/dbraw/zinc/10/99/73/132109973.db2.gz STCVWVYQDDNIOU-UHFFFAOYSA-N 1 1 319.449 2.846 20 10 DFCDMO Cc1cnc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)s1 ZINC000230686104 542892661 /nfs/dbraw/zinc/89/26/61/542892661.db2.gz ZHUHUALPDMBSFZ-UHFFFAOYSA-N 1 1 303.431 2.578 20 10 DFCDMO C[C@@H](NC[C@H](C)C[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000293770185 543021533 /nfs/dbraw/zinc/02/15/33/543021533.db2.gz SOKBRWYDXFAICR-LSDHHAIUSA-N 1 1 323.456 2.511 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C[C@@H]2c2ccccc2)c1 ZINC000092076070 292164609 /nfs/dbraw/zinc/16/46/09/292164609.db2.gz QOOQKYYOIHDNJM-QGZVFWFLSA-N 1 1 310.397 2.764 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCO)c1O ZINC000050132865 425881527 /nfs/dbraw/zinc/88/15/27/425881527.db2.gz QFTUNAZMSLIOFE-AWEZNQCLSA-N 1 1 311.809 2.985 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CCO)c1O ZINC000050132865 425881528 /nfs/dbraw/zinc/88/15/28/425881528.db2.gz QFTUNAZMSLIOFE-AWEZNQCLSA-N 1 1 311.809 2.985 20 10 DFCDMO CCc1nc(NC(=O)C[N@H+](C)Cc2ccccc2O)sc1C ZINC000109773736 426032905 /nfs/dbraw/zinc/03/29/05/426032905.db2.gz PZEQTBIVNZFHQY-UHFFFAOYSA-N 1 1 319.430 2.790 20 10 DFCDMO CCc1nc(NC(=O)C[N@@H+](C)Cc2ccccc2O)sc1C ZINC000109773736 426032907 /nfs/dbraw/zinc/03/29/07/426032907.db2.gz PZEQTBIVNZFHQY-UHFFFAOYSA-N 1 1 319.430 2.790 20 10 DFCDMO CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000108453873 426016927 /nfs/dbraw/zinc/01/69/27/426016927.db2.gz NYJRVDHWTVUVEQ-GOSISDBHSA-N 1 1 315.461 2.633 20 10 DFCDMO C[N@@H+](CC(=O)N1CCCc2ccccc21)Cc1ccccc1O ZINC000171646567 426202229 /nfs/dbraw/zinc/20/22/29/426202229.db2.gz XFVGTHHGOLEYAC-UHFFFAOYSA-N 1 1 310.397 2.803 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1F ZINC000131336629 426164712 /nfs/dbraw/zinc/16/47/12/426164712.db2.gz ODVRWUPMEISDFO-INIZCTEOSA-N 1 1 315.392 2.940 20 10 DFCDMO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC000132670311 426169654 /nfs/dbraw/zinc/16/96/54/426169654.db2.gz ZJMGWGLTVCLCTA-CQSZACIVSA-N 1 1 322.474 2.568 20 10 DFCDMO Cc1cc(C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)on1 ZINC000171934500 426219078 /nfs/dbraw/zinc/21/90/78/426219078.db2.gz OYVDTGRHUHVIGF-OAHLLOKOSA-N 1 1 302.374 2.870 20 10 DFCDMO C[N@H+](Cc1ccccc1O)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000172798530 426231681 /nfs/dbraw/zinc/23/16/81/426231681.db2.gz ULVLFHCWAQTKIC-INIZCTEOSA-N 1 1 312.369 2.849 20 10 DFCDMO CCC[N@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O ZINC000175284157 426294364 /nfs/dbraw/zinc/29/43/64/426294364.db2.gz WRYOMUFKYVWUTG-GFCCVEGCSA-N 1 1 305.378 2.895 20 10 DFCDMO CCC[N@@H+](Cc1nc([C@@H](C)OC)no1)Cc1ccccc1O ZINC000175284157 426294367 /nfs/dbraw/zinc/29/43/67/426294367.db2.gz WRYOMUFKYVWUTG-GFCCVEGCSA-N 1 1 305.378 2.895 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c(O)c1 ZINC000091927918 426345229 /nfs/dbraw/zinc/34/52/29/426345229.db2.gz YYUTVSIOUWCEPO-ZWKOTPCHSA-N 1 1 321.417 2.561 20 10 DFCDMO CCCOc1ccc(CN2CC[C@H](C[N@H+](C)CC)C2)c(O)c1 ZINC000093770513 426358980 /nfs/dbraw/zinc/35/89/80/426358980.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 1 1 306.450 2.955 20 10 DFCDMO CCCOc1ccc(CN2CC[C@H](C[N@@H+](C)CC)C2)c(O)c1 ZINC000093770513 426358982 /nfs/dbraw/zinc/35/89/82/426358982.db2.gz DYVLKICJNGRIKL-OAHLLOKOSA-N 1 1 306.450 2.955 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CCS[C@@H]3CCCC[C@@H]31)OCO2 ZINC000176828684 426418448 /nfs/dbraw/zinc/41/84/48/426418448.db2.gz SNTOVOZJLJFOFC-BLLLJJGKSA-N 1 1 307.415 2.981 20 10 DFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)cc1C ZINC000101904774 426486942 /nfs/dbraw/zinc/48/69/42/426486942.db2.gz MMOUFUFKDJMNPD-INIZCTEOSA-N 1 1 318.461 2.993 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280304280 426545235 /nfs/dbraw/zinc/54/52/35/426545235.db2.gz PBVJMKZYUQLSAO-BLLLJJGKSA-N 1 1 311.809 2.734 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000280434135 426575846 /nfs/dbraw/zinc/57/58/46/426575846.db2.gz JVGJFYGRTNNLKJ-CQSZACIVSA-N 1 1 321.417 2.561 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](C)[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000280557922 426601130 /nfs/dbraw/zinc/60/11/30/426601130.db2.gz QZSJALLPGAWBLF-SFHVURJKSA-N 1 1 311.429 2.801 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1O ZINC000228671297 426634369 /nfs/dbraw/zinc/63/43/69/426634369.db2.gz RAQIGRAVDJRHKH-KBPBESRZSA-N 1 1 310.825 2.771 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCCC[C@@H]23)c1O ZINC000228671297 426634376 /nfs/dbraw/zinc/63/43/76/426634376.db2.gz RAQIGRAVDJRHKH-KBPBESRZSA-N 1 1 310.825 2.771 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@](C)(O)CC2)c1O ZINC000230359480 426648522 /nfs/dbraw/zinc/64/85/22/426648522.db2.gz XHKBUMDXBLXTSE-INIZCTEOSA-N 1 1 311.809 2.985 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCC[C@](C)(O)CC2)c1O ZINC000230359480 426648524 /nfs/dbraw/zinc/64/85/24/426648524.db2.gz XHKBUMDXBLXTSE-INIZCTEOSA-N 1 1 311.809 2.985 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+](CCOC)Cc2ccccn2)c1 ZINC000289764674 426672107 /nfs/dbraw/zinc/67/21/07/426672107.db2.gz KDDGIFHXMCDUDR-UHFFFAOYSA-N 1 1 316.401 2.835 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000289737835 426672405 /nfs/dbraw/zinc/67/24/05/426672405.db2.gz PZYWPHRVYBKWDK-GOEBONIOSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1 ZINC000289737835 426672408 /nfs/dbraw/zinc/67/24/08/426672408.db2.gz PZYWPHRVYBKWDK-GOEBONIOSA-N 1 1 304.434 2.850 20 10 DFCDMO CCCOc1ccc(C[NH2+]Cc2nnc(CC)s2)c(O)c1 ZINC000289809939 426675674 /nfs/dbraw/zinc/67/56/74/426675674.db2.gz MWPOYOFNPZOODA-UHFFFAOYSA-N 1 1 307.419 2.885 20 10 DFCDMO Cc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289923553 426677865 /nfs/dbraw/zinc/67/78/65/426677865.db2.gz XQNDJYCIPHMZSX-CQSZACIVSA-N 1 1 303.324 2.980 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCCC[C@H]2COC(=O)NC)c1O ZINC000290225376 426720652 /nfs/dbraw/zinc/72/06/52/426720652.db2.gz SGZYLPWUJNVIQJ-AWEZNQCLSA-N 1 1 322.405 2.501 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)C[S@](C)=O)cc1F ZINC000187830516 426697468 /nfs/dbraw/zinc/69/74/68/426697468.db2.gz ZSXMXRRUDWXFDT-ZSEKCTLFSA-N 1 1 314.470 2.871 20 10 DFCDMO CN(C)c1ccc(C[N@@H+]2CCCN(CC(F)F)CC2)cc1F ZINC000290293931 426734952 /nfs/dbraw/zinc/73/49/52/426734952.db2.gz AQQUYTMPLDYSJC-UHFFFAOYSA-N 1 1 315.383 2.665 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCCN(CC(F)F)CC2)cc1F ZINC000290293931 426734954 /nfs/dbraw/zinc/73/49/54/426734954.db2.gz AQQUYTMPLDYSJC-UHFFFAOYSA-N 1 1 315.383 2.665 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281764731 426761814 /nfs/dbraw/zinc/76/18/14/426761814.db2.gz LSWZSKQTDORETA-JKSUJKDBSA-N 1 1 305.324 2.978 20 10 DFCDMO COC(=O)[C@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cc1cccc(OC)c1O ZINC000179200783 426766254 /nfs/dbraw/zinc/76/62/54/426766254.db2.gz ACRUJLXHPZRIHU-VHDGCEQUSA-N 1 1 319.401 2.707 20 10 DFCDMO CC(C)COCC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000282765759 426923818 /nfs/dbraw/zinc/92/38/18/426923818.db2.gz ULRWRZGBNXEIMT-UHFFFAOYSA-N 1 1 306.450 2.628 20 10 DFCDMO COc1cccc(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1O ZINC000290968235 426872887 /nfs/dbraw/zinc/87/28/87/426872887.db2.gz SFWXLMBZPBLAID-ZDUSSCGKSA-N 1 1 307.781 2.698 20 10 DFCDMO CCCC[N@@H+](CC(=O)Nc1cc(C)on1)Cc1ccccc1O ZINC000282426458 426909381 /nfs/dbraw/zinc/90/93/81/426909381.db2.gz JTFMDCHINUPYQE-UHFFFAOYSA-N 1 1 317.389 2.929 20 10 DFCDMO C[N@@H+](CCc1cscn1)Cc1ccc(N2CCOCC2)cc1 ZINC000296300883 427142847 /nfs/dbraw/zinc/14/28/47/427142847.db2.gz IKJBLRBEBGNZQJ-UHFFFAOYSA-N 1 1 317.458 2.654 20 10 DFCDMO COc1cc(O)c(C[N@@H+]2CCn3cccc3[C@@H]2C)cc1OC ZINC000183512308 427284288 /nfs/dbraw/zinc/28/42/88/427284288.db2.gz VEYRTZOEOODKDW-LBPRGKRZSA-N 1 1 302.374 2.788 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@@H]2C)cc1OC ZINC000183512308 427284293 /nfs/dbraw/zinc/28/42/93/427284293.db2.gz VEYRTZOEOODKDW-LBPRGKRZSA-N 1 1 302.374 2.788 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)C[C@@H](C)C2)cc1 ZINC000277565864 427243914 /nfs/dbraw/zinc/24/39/14/427243914.db2.gz SDQQEFHJHDUJCO-BTYIYWSLSA-N 1 1 308.491 2.733 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)C[C@@H](C)C2)cc1 ZINC000277565864 427243919 /nfs/dbraw/zinc/24/39/19/427243919.db2.gz SDQQEFHJHDUJCO-BTYIYWSLSA-N 1 1 308.491 2.733 20 10 DFCDMO COC(=O)[C@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cc(OC)ccc1O ZINC000183386939 427260203 /nfs/dbraw/zinc/26/02/03/427260203.db2.gz YGNJPCITBDESDA-DAXOMENPSA-N 1 1 319.401 2.707 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1OC ZINC000183706878 427325750 /nfs/dbraw/zinc/32/57/50/427325750.db2.gz HDBCZMWVSVILQX-LBPRGKRZSA-N 1 1 302.374 2.997 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@@H](OC)C3)cc2)CC1 ZINC000296960264 427290589 /nfs/dbraw/zinc/29/05/89/427290589.db2.gz COJLAVWUEUTVNR-LJQANCHMSA-N 1 1 318.461 2.913 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000271109765 427406270 /nfs/dbraw/zinc/40/62/70/427406270.db2.gz TXQSSYPPORDNFL-UHFFFAOYSA-N 1 1 321.417 2.802 20 10 DFCDMO Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131100 427412523 /nfs/dbraw/zinc/41/25/23/427412523.db2.gz CFGLDQPNGJKEDF-OCCSQVGLSA-N 1 1 303.324 2.836 20 10 DFCDMO COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278783092 427451667 /nfs/dbraw/zinc/45/16/67/427451667.db2.gz PZSVDOLJKQQBAS-RKDXNWHRSA-N 1 1 308.205 2.747 20 10 DFCDMO C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466270 /nfs/dbraw/zinc/46/62/70/427466270.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 1 1 300.805 2.957 20 10 DFCDMO C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000293859542 427466276 /nfs/dbraw/zinc/46/62/76/427466276.db2.gz IFLIOMKNDVWNGD-HZMBPMFUSA-N 1 1 300.805 2.957 20 10 DFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nnnn1C1CC1 ZINC000192049447 427471504 /nfs/dbraw/zinc/47/15/04/427471504.db2.gz MAHUZFKLKODOEL-GFCCVEGCSA-N 1 1 301.394 2.687 20 10 DFCDMO Cc1cc(O)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)cc1C ZINC000278222556 427423162 /nfs/dbraw/zinc/42/31/62/427423162.db2.gz IRMUVDMRJWHVKP-INIZCTEOSA-N 1 1 318.461 2.694 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCN(C3CCOCC3)C[C@@H]2C)cc1C ZINC000278222556 427423170 /nfs/dbraw/zinc/42/31/70/427423170.db2.gz IRMUVDMRJWHVKP-INIZCTEOSA-N 1 1 318.461 2.694 20 10 DFCDMO Cc1cc(O)c(C[N@@H+]2CCN(C3CCOCC3)C[C@@H]2C)cc1C ZINC000278222556 427423175 /nfs/dbraw/zinc/42/31/75/427423175.db2.gz IRMUVDMRJWHVKP-INIZCTEOSA-N 1 1 318.461 2.694 20 10 DFCDMO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c(O)c1 ZINC000293754956 427426232 /nfs/dbraw/zinc/42/62/32/427426232.db2.gz OMFMHFGXPPSYOM-WBVHZDCISA-N 1 1 319.493 2.543 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271167584 427428574 /nfs/dbraw/zinc/42/85/74/427428574.db2.gz SYRXYAYDHXTGFS-HNNXBMFYSA-N 1 1 304.434 2.827 20 10 DFCDMO CCCN(CCC)c1ccc(C[N@@H+]2CCO[C@H](CO)C2)cc1 ZINC000271166523 427428673 /nfs/dbraw/zinc/42/86/73/427428673.db2.gz HPFCBNKTOJWXSA-SFHVURJKSA-N 1 1 306.450 2.506 20 10 DFCDMO CCCN(CCC)c1ccc(C[N@H+]2CCO[C@H](CO)C2)cc1 ZINC000271166523 427428680 /nfs/dbraw/zinc/42/86/80/427428680.db2.gz HPFCBNKTOJWXSA-SFHVURJKSA-N 1 1 306.450 2.506 20 10 DFCDMO CC[C@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278295457 427428771 /nfs/dbraw/zinc/42/87/71/427428771.db2.gz CFLVIQXMEXSMSN-SNVBAGLBSA-N 1 1 300.380 2.540 20 10 DFCDMO COc1c(O)c(C[NH2+]CCCCOC(C)C)ccc1[N+](=O)[O-] ZINC000278480123 427441719 /nfs/dbraw/zinc/44/17/19/427441719.db2.gz JDPXQLUCLANASK-UHFFFAOYSA-N 1 1 312.366 2.604 20 10 DFCDMO COc1c(O)c(C[NH2+]CCc2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278568446 427442664 /nfs/dbraw/zinc/44/26/64/427442664.db2.gz CMNCDPCESRGYQE-UHFFFAOYSA-N 1 1 320.320 2.780 20 10 DFCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278932906 427503992 /nfs/dbraw/zinc/50/39/92/427503992.db2.gz WPVHYSPNXDFNNQ-SNVBAGLBSA-N 1 1 318.329 2.865 20 10 DFCDMO C[C@H](O)c1ncc(C[N@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000278959722 427514757 /nfs/dbraw/zinc/51/47/57/427514757.db2.gz NRJIBTOPXPKXHJ-LBPRGKRZSA-N 1 1 305.447 2.894 20 10 DFCDMO C[C@H](O)c1ncc(C[N@@H+](C)Cc2ccc(N(C)C)cc2)s1 ZINC000278959722 427514762 /nfs/dbraw/zinc/51/47/62/427514762.db2.gz NRJIBTOPXPKXHJ-LBPRGKRZSA-N 1 1 305.447 2.894 20 10 DFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000263753229 427557031 /nfs/dbraw/zinc/55/70/31/427557031.db2.gz GYPPKQSIZQZYEK-UHFFFAOYSA-N 1 1 305.466 2.689 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1O ZINC000271776687 427585373 /nfs/dbraw/zinc/58/53/73/427585373.db2.gz DKVDWOFRNQQHRF-GWCFXTLKSA-N 1 1 314.223 2.666 20 10 DFCDMO CC[C@H](C)NC(=O)CC[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000294253523 427601053 /nfs/dbraw/zinc/60/10/53/427601053.db2.gz NMRIAVCTYGJVRM-VIFPVBQESA-N 1 1 302.777 2.579 20 10 DFCDMO C[C@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NC(C)(C)C ZINC000294269083 427604740 /nfs/dbraw/zinc/60/47/40/427604740.db2.gz OJEPTOCCCPYCCH-QMMMGPOBSA-N 1 1 302.777 2.578 20 10 DFCDMO C[C@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)c(Cl)cc1O ZINC000192978490 427646809 /nfs/dbraw/zinc/64/68/09/427646809.db2.gz HRMRTFCQXSNPHU-VHSXEESVSA-N 1 1 319.232 2.680 20 10 DFCDMO Cc1nocc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000294804902 427660180 /nfs/dbraw/zinc/66/01/80/427660180.db2.gz DPFQTQWYWADIBK-INIZCTEOSA-N 1 1 302.374 2.870 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684990 427715757 /nfs/dbraw/zinc/71/57/57/427715757.db2.gz FQQQAZNGPBHJQE-HNNXBMFYSA-N 1 1 304.434 2.523 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](CCO)C2CC2)c(C(F)(F)F)c1 ZINC000279727911 427718847 /nfs/dbraw/zinc/71/88/47/427718847.db2.gz VPYKUVIFUJCHSE-UHFFFAOYSA-N 1 1 302.340 2.728 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H](CC)O[C@@]3(CCOC3)C2)c1O ZINC000369540904 427995595 /nfs/dbraw/zinc/99/55/95/427995595.db2.gz LKYJAIFMWNKQBS-YJBOKZPZSA-N 1 1 321.417 2.561 20 10 DFCDMO CCn1cc(CC[N@H+]2CC=C(c3ccc(N(C)C)cc3)C2)cn1 ZINC000370743814 428288927 /nfs/dbraw/zinc/28/89/27/428288927.db2.gz YEIRNXNAXAWRFF-UHFFFAOYSA-N 1 1 310.445 2.911 20 10 DFCDMO Cc1nc(C)n(C[C@H]2CCC[N@H+]2Cc2cccc(C)c2O)n1 ZINC000371422958 428388064 /nfs/dbraw/zinc/38/80/64/428388064.db2.gz ASBIZAHCBJLGSL-MRXNPFEDSA-N 1 1 300.406 2.574 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000360671937 428394013 /nfs/dbraw/zinc/39/40/13/428394013.db2.gz MKBVEBYGFOEOGD-KRWDZBQOSA-N 1 1 305.324 2.764 20 10 DFCDMO O=C(N[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000371338091 428383394 /nfs/dbraw/zinc/38/33/94/428383394.db2.gz YLKMARNPCVRNPX-AWEZNQCLSA-N 1 1 308.809 2.536 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357379 428386921 /nfs/dbraw/zinc/38/69/21/428386921.db2.gz KPGUFPXTCAWJBU-JCURWCKSSA-N 1 1 321.417 2.655 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1 ZINC000372412928 428443724 /nfs/dbraw/zinc/44/37/24/428443724.db2.gz CFZMSAAHCNDTGL-SFHVURJKSA-N 1 1 315.461 2.730 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000372433623 428446644 /nfs/dbraw/zinc/44/66/44/428446644.db2.gz MEQCGIVXSSNLIR-CQSZACIVSA-N 1 1 315.417 2.904 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595714 428472566 /nfs/dbraw/zinc/47/25/66/428472566.db2.gz QOSULZGXBPSCMP-UKRRQHHQSA-N 1 1 303.362 2.608 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595714 428472572 /nfs/dbraw/zinc/47/25/72/428472572.db2.gz QOSULZGXBPSCMP-UKRRQHHQSA-N 1 1 303.362 2.608 20 10 DFCDMO CC[C@@H](c1ccccc1O)N1CC[NH+]([C@H]2CCSC2)CC1 ZINC000372601011 428473661 /nfs/dbraw/zinc/47/36/61/428473661.db2.gz QGCNYJVUSHAODE-HOCLYGCPSA-N 1 1 306.475 2.966 20 10 DFCDMO OCC1([NH2+]Cc2c(O)ccc(Cl)c2F)Cc2ccccc2C1 ZINC000373610776 428617194 /nfs/dbraw/zinc/61/71/94/428617194.db2.gz LDXXEMUERPYQDI-UHFFFAOYSA-N 1 1 321.779 2.804 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1 ZINC000373604566 428619208 /nfs/dbraw/zinc/61/92/08/428619208.db2.gz RDEIEJSJFJYLQY-SFHVURJKSA-N 1 1 305.418 2.861 20 10 DFCDMO CN(C)c1ccc(CN(C)C(=O)C[N@H+]2CCC[C@H]2C2CC2)cc1 ZINC000373974600 428656841 /nfs/dbraw/zinc/65/68/41/428656841.db2.gz ZXZLLGHGDYWPCN-SFHVURJKSA-N 1 1 315.461 2.585 20 10 DFCDMO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1O ZINC000374189803 428668557 /nfs/dbraw/zinc/66/85/57/428668557.db2.gz LHZWYVNRFNAYFX-DLBZAZTESA-N 1 1 320.408 2.793 20 10 DFCDMO CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789398 428754194 /nfs/dbraw/zinc/75/41/94/428754194.db2.gz VIZNELWVDOPZFO-GJZGRUSLSA-N 1 1 315.461 2.755 20 10 DFCDMO CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789398 428754200 /nfs/dbraw/zinc/75/42/00/428754200.db2.gz VIZNELWVDOPZFO-GJZGRUSLSA-N 1 1 315.461 2.755 20 10 DFCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000374917610 428785128 /nfs/dbraw/zinc/78/51/28/428785128.db2.gz YWBPZNKRQGLDFX-OAHLLOKOSA-N 1 1 306.381 2.508 20 10 DFCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@H]1Cn1cncn1 ZINC000363520277 428935227 /nfs/dbraw/zinc/93/52/27/428935227.db2.gz PLJLTPDUUVADON-HNNXBMFYSA-N 1 1 308.385 2.802 20 10 DFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000364470495 429208720 /nfs/dbraw/zinc/20/87/20/429208720.db2.gz CHXDNKGAFNBBFN-JTQLQIEISA-N 1 1 315.772 2.960 20 10 DFCDMO Cn1cc(C[C@H]2CC[N@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000364473234 429211255 /nfs/dbraw/zinc/21/12/55/429211255.db2.gz RBALXJYWVTTYRT-LLVKDONJSA-N 1 1 323.799 2.983 20 10 DFCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3c(O)ccc(Cl)c3F)C2)cn1 ZINC000364473234 429211258 /nfs/dbraw/zinc/21/12/58/429211258.db2.gz RBALXJYWVTTYRT-LLVKDONJSA-N 1 1 323.799 2.983 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368567579 429868707 /nfs/dbraw/zinc/86/87/07/429868707.db2.gz NFOLWQPZTANXDA-ARFHVFGLSA-N 1 1 303.402 2.913 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCOC[C@@H]2[C@H]2CCCC2=O)c1 ZINC000368567945 429867663 /nfs/dbraw/zinc/86/76/63/429867663.db2.gz OWABUBYLMCCSJG-JGGQBBKZSA-N 1 1 319.401 2.532 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IQABTVHONVGIQO-INIZCTEOSA-N 1 1 313.401 2.551 20 10 DFCDMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccccc2O)C1 ZINC000299491247 132108079 /nfs/dbraw/zinc/10/80/79/132108079.db2.gz JOFRJGLSSGIBRJ-GASCZTMLSA-N 1 1 319.449 2.559 20 10 DFCDMO C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccccc1O ZINC000299511925 132108634 /nfs/dbraw/zinc/10/86/34/132108634.db2.gz NZNRQVCTMKOXRV-OAHLLOKOSA-N 1 1 319.449 2.846 20 10 DFCDMO C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccccc1O ZINC000299511922 132108920 /nfs/dbraw/zinc/10/89/20/132108920.db2.gz NZNRQVCTMKOXRV-HNNXBMFYSA-N 1 1 319.449 2.846 20 10 DFCDMO Cc1cc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000125694663 425985889 /nfs/dbraw/zinc/98/58/89/425985889.db2.gz WBDUMWMZUHSKRS-CYBMUJFWSA-N 1 1 319.380 2.810 20 10 DFCDMO CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000125960977 425998618 /nfs/dbraw/zinc/99/86/18/425998618.db2.gz MLJLKXWEECRSIS-HNNXBMFYSA-N 1 1 321.440 2.630 20 10 DFCDMO CCOC(=O)CCC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976561 425979313 /nfs/dbraw/zinc/97/93/13/425979313.db2.gz MWZXOEPKYBAGMN-MRXNPFEDSA-N 1 1 321.417 2.717 20 10 DFCDMO C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)Cc1ccccc1O ZINC000109769647 426032675 /nfs/dbraw/zinc/03/26/75/426032675.db2.gz CGOHPOCRGMNSEJ-NPCAHTBFSA-N 1 1 304.434 2.907 20 10 DFCDMO C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000109773182 426033125 /nfs/dbraw/zinc/03/31/25/426033125.db2.gz ILRWJWAAVHOVNM-UHFFFAOYSA-N 1 1 302.330 2.811 20 10 DFCDMO C[N@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1O ZINC000111236274 426038522 /nfs/dbraw/zinc/03/85/22/426038522.db2.gz JAEACRWPDNPDBQ-UHFFFAOYSA-N 1 1 317.389 2.748 20 10 DFCDMO C[N@@H+](CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1O ZINC000111236274 426038526 /nfs/dbraw/zinc/03/85/26/426038526.db2.gz JAEACRWPDNPDBQ-UHFFFAOYSA-N 1 1 317.389 2.748 20 10 DFCDMO CC(C)C(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2O)CC1 ZINC000170789468 426150325 /nfs/dbraw/zinc/15/03/25/426150325.db2.gz NIHPUUQKIPYTBC-GFCCVEGCSA-N 1 1 308.397 2.829 20 10 DFCDMO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH+]1CCSCC1 ZINC000132670514 426171865 /nfs/dbraw/zinc/17/18/65/426171865.db2.gz ZJMGWGLTVCLCTA-AWEZNQCLSA-N 1 1 322.474 2.568 20 10 DFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000091978958 426345754 /nfs/dbraw/zinc/34/57/54/426345754.db2.gz NENDGIKVEAWEKD-OALUTQOASA-N 1 1 316.445 2.667 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@@H](Nc3ccccc3)C1)OCO2 ZINC000092758273 426351774 /nfs/dbraw/zinc/35/17/74/426351774.db2.gz OGHNBQACSFAGFA-OAHLLOKOSA-N 1 1 312.369 2.807 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@](C)(C(=O)OC)C2)c(O)c1 ZINC000093813904 426357455 /nfs/dbraw/zinc/35/74/55/426357455.db2.gz XUSKZFUTNNZYNC-KRWDZBQOSA-N 1 1 307.390 2.566 20 10 DFCDMO CCCOc1ccc(CN2CC[C@@H](C[N@H+](C)CC)C2)c(O)c1 ZINC000093770514 426357894 /nfs/dbraw/zinc/35/78/94/426357894.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 1 1 306.450 2.955 20 10 DFCDMO CCCOc1ccc(CN2CC[C@@H](C[N@@H+](C)CC)C2)c(O)c1 ZINC000093770514 426357896 /nfs/dbraw/zinc/35/78/96/426357896.db2.gz DYVLKICJNGRIKL-HNNXBMFYSA-N 1 1 306.450 2.955 20 10 DFCDMO CCOc1cccc(C[N@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1O ZINC000093639029 426358190 /nfs/dbraw/zinc/35/81/90/426358190.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 1 1 306.450 2.953 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)[C@H]2CCN(CC)C[C@H]2C)c1O ZINC000093639029 426358191 /nfs/dbraw/zinc/35/81/91/426358191.db2.gz ZEKGEENYDNRFEN-ZBFHGGJFSA-N 1 1 306.450 2.953 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)cc1C ZINC000123691311 426449481 /nfs/dbraw/zinc/44/94/81/426449481.db2.gz RHWPOAJFSCDCIS-OCCSQVGLSA-N 1 1 303.324 2.897 20 10 DFCDMO CC1(C)C[N@@H+](Cc2c(O)cccc2Cl)C[C@]2(CCOC2)O1 ZINC000280186908 426517427 /nfs/dbraw/zinc/51/74/27/426517427.db2.gz HCMKSQUANVZCSD-INIZCTEOSA-N 1 1 311.809 2.816 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@@]2(CCOC2)O1 ZINC000280400506 426566418 /nfs/dbraw/zinc/56/64/18/426566418.db2.gz XSDPSLZUDRXRGX-AUUYWEPGSA-N 1 1 313.397 2.925 20 10 DFCDMO CC(C)CC[C@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000280450264 426579204 /nfs/dbraw/zinc/57/92/04/426579204.db2.gz KVGJZGSATHOXQP-IBGZPJMESA-N 1 1 320.477 2.752 20 10 DFCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H](C)O2 ZINC000280529138 426592390 /nfs/dbraw/zinc/59/23/90/426592390.db2.gz RMAMAJFBAKYFOA-XHBSWPGZSA-N 1 1 311.809 2.814 20 10 DFCDMO Cc1cnn(C)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000289185088 426600343 /nfs/dbraw/zinc/60/03/43/426600343.db2.gz TYIOMSHOSNMOHX-INIZCTEOSA-N 1 1 315.417 2.615 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c1 ZINC000280584348 426606117 /nfs/dbraw/zinc/60/61/17/426606117.db2.gz WYUZXUPALRHGNC-DEYYWGMASA-N 1 1 321.417 2.559 20 10 DFCDMO CCOc1cccc(C[NH2+]Cc2csc(COC)n2)c1O ZINC000289739599 426672447 /nfs/dbraw/zinc/67/24/47/426672447.db2.gz HIPBBQFDCJNSQS-UHFFFAOYSA-N 1 1 308.403 2.684 20 10 DFCDMO COc1ccc(O)c(C[N@@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000289814532 426675358 /nfs/dbraw/zinc/67/53/58/426675358.db2.gz NTUYLYZNZBZRSX-UHFFFAOYSA-N 1 1 318.417 2.948 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000289897874 426676760 /nfs/dbraw/zinc/67/67/60/426676760.db2.gz WRFPQRLLDVYBOL-CHWSQXEVSA-N 1 1 303.324 2.693 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@](C)(C(=O)NC)C2)cc1F ZINC000281150440 426702968 /nfs/dbraw/zinc/70/29/68/426702968.db2.gz PAHHCIZSZJWXTC-SFHVURJKSA-N 1 1 321.440 2.630 20 10 DFCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246201522 426808570 /nfs/dbraw/zinc/80/85/70/426808570.db2.gz JDCVSHPLUADGQW-MOPGFXCFSA-N 1 1 313.397 2.925 20 10 DFCDMO Oc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000179465749 426792180 /nfs/dbraw/zinc/79/21/80/426792180.db2.gz COLVUIVAAREVMC-OAHLLOKOSA-N 1 1 308.385 2.974 20 10 DFCDMO C[C@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282667085 426921957 /nfs/dbraw/zinc/92/19/57/426921957.db2.gz IWZDKGQFAPKLQS-ZDUSSCGKSA-N 1 1 301.438 2.950 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c(O)c1 ZINC000247287866 426923350 /nfs/dbraw/zinc/92/33/50/426923350.db2.gz YYUTVSIOUWCEPO-MSOLQXFVSA-N 1 1 321.417 2.561 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC[C@H](n3cc(Cl)cn3)C2)c1 ZINC000290879477 426862521 /nfs/dbraw/zinc/86/25/21/426862521.db2.gz KRXPAWVNRNDTIS-ZDUSSCGKSA-N 1 1 307.781 2.698 20 10 DFCDMO CCCC[N@H+](C)C[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000291438664 426886004 /nfs/dbraw/zinc/88/60/04/426886004.db2.gz BRWYKVXWOCXCNO-CYBMUJFWSA-N 1 1 310.438 2.619 20 10 DFCDMO CCCC[N@@H+](C)C[C@@H](C)NCc1cc(OC)c(OC)cc1O ZINC000291438664 426886013 /nfs/dbraw/zinc/88/60/13/426886013.db2.gz BRWYKVXWOCXCNO-CYBMUJFWSA-N 1 1 310.438 2.619 20 10 DFCDMO C[C@H](C[NH2+]Cc1cccc(F)c1O)N(C)C(=O)OC(C)(C)C ZINC000283059476 426942999 /nfs/dbraw/zinc/94/29/99/426942999.db2.gz PNYVJXBJCCYSCV-LLVKDONJSA-N 1 1 312.385 2.876 20 10 DFCDMO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccc(F)cc1O ZINC000292017800 427058858 /nfs/dbraw/zinc/05/88/58/427058858.db2.gz ZIFJFZKLOOFOKC-WDBKCZKBSA-N 1 1 315.410 2.538 20 10 DFCDMO COC1CCN(c2ccc(C[N@@H+]3CCOC[C@H]3C)cc2)CC1 ZINC000295961553 427029655 /nfs/dbraw/zinc/02/96/55/427029655.db2.gz JMDHFZXHEZQUFE-OAHLLOKOSA-N 1 1 304.434 2.523 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CCOC[C@H]3C)cc2)CC1 ZINC000295961553 427029663 /nfs/dbraw/zinc/02/96/63/427029663.db2.gz JMDHFZXHEZQUFE-OAHLLOKOSA-N 1 1 304.434 2.523 20 10 DFCDMO COc1ccc(N2CCC[N@@H+](C[C@H]3CCC=CO3)CC2)cc1 ZINC000248995594 427074219 /nfs/dbraw/zinc/07/42/19/427074219.db2.gz OWXVXKKGBGGYHA-GOSISDBHSA-N 1 1 302.418 2.900 20 10 DFCDMO COc1cc(Cl)cc(CN2CCC[N@H+]3CCC[C@H]3C2)c1O ZINC000252847652 427196545 /nfs/dbraw/zinc/19/65/45/427196545.db2.gz HLZQKKJXHLQPAR-AWEZNQCLSA-N 1 1 310.825 2.724 20 10 DFCDMO CC(=O)c1cc(F)cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1O ZINC000293093520 427214924 /nfs/dbraw/zinc/21/49/24/427214924.db2.gz XEQAGGPTIYODED-GOSISDBHSA-N 1 1 320.408 2.652 20 10 DFCDMO Cc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1N(C)C ZINC000293173263 427233937 /nfs/dbraw/zinc/23/39/37/427233937.db2.gz SDHSFLDQACOZRK-SFHVURJKSA-N 1 1 301.478 2.979 20 10 DFCDMO CCCC[N@@H+](Cc1ccccc1O)Cc1nccnc1OC ZINC000296890381 427265176 /nfs/dbraw/zinc/26/51/76/427265176.db2.gz QHVNJTMIIQVRFG-UHFFFAOYSA-N 1 1 301.390 2.993 20 10 DFCDMO Cc1cc(C[N@H+](CC(N)=O)Cc2ccccc2)ccc1N(C)C ZINC000293293353 427277759 /nfs/dbraw/zinc/27/77/59/427277759.db2.gz ZBDRSHBOXDMNON-UHFFFAOYSA-N 1 1 311.429 2.549 20 10 DFCDMO Cc1cc(C[N@@H+](CC(N)=O)Cc2ccccc2)ccc1N(C)C ZINC000293293353 427277766 /nfs/dbraw/zinc/27/77/66/427277766.db2.gz ZBDRSHBOXDMNON-UHFFFAOYSA-N 1 1 311.429 2.549 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2cccnc2)cc1OC ZINC000183719469 427327606 /nfs/dbraw/zinc/32/76/06/427327606.db2.gz DOXOITZGTIKQEQ-GFCCVEGCSA-N 1 1 302.374 2.997 20 10 DFCDMO CCn1nccc1C[NH2+]Cc1cccc(Br)c1O ZINC000278126601 427413066 /nfs/dbraw/zinc/41/30/66/427413066.db2.gz BRVWVAQQPQRVSY-UHFFFAOYSA-N 1 1 310.195 2.661 20 10 DFCDMO COc1c(O)c(C[N@@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000278140077 427416614 /nfs/dbraw/zinc/41/66/14/427416614.db2.gz AUZGIKMHYLEFNR-UHFFFAOYSA-N 1 1 324.377 2.698 20 10 DFCDMO COc1c(O)c(C[N@H+](C)C2CCC(OC)CC2)ccc1[N+](=O)[O-] ZINC000278140077 427416620 /nfs/dbraw/zinc/41/66/20/427416620.db2.gz AUZGIKMHYLEFNR-UHFFFAOYSA-N 1 1 324.377 2.698 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCC2(OC)CCC2)c1 ZINC000293563222 427363415 /nfs/dbraw/zinc/36/34/15/427363415.db2.gz ATRNMSKZXKCQMK-GFCCVEGCSA-N 1 1 307.390 2.789 20 10 DFCDMO COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278783090 427448915 /nfs/dbraw/zinc/44/89/15/427448915.db2.gz PZSVDOLJKQQBAS-IUCAKERBSA-N 1 1 308.205 2.747 20 10 DFCDMO CN1CC[C@@H]([N@@H+](C)Cc2cc(-c3ccccc3)ccc2O)C1=O ZINC000271207638 427448967 /nfs/dbraw/zinc/44/89/67/427448967.db2.gz SJHMGVWYWMAAIH-QGZVFWFLSA-N 1 1 310.397 2.722 20 10 DFCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000278315811 427426938 /nfs/dbraw/zinc/42/69/38/427426938.db2.gz FOZHIFFKLHTFDA-RNCFNFMXSA-N 1 1 307.287 2.667 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278306749 427428295 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/nfs/dbraw/zinc/02/24/56/337022456.db2.gz LUJKQUNKALZNQQ-VYDXJSESSA-N 1 1 322.424 2.825 20 10 DFCDMO COc1ccc(O)c(C[N@H+](C)Cc2cn3c(n2)CCCC3)c1 ZINC000375933755 337023690 /nfs/dbraw/zinc/02/36/90/337023690.db2.gz SKZKKMJYDIJCBK-UHFFFAOYSA-N 1 1 301.390 2.566 20 10 DFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2cn3c(n2)CCCC3)c1 ZINC000375933755 337023691 /nfs/dbraw/zinc/02/36/91/337023691.db2.gz SKZKKMJYDIJCBK-UHFFFAOYSA-N 1 1 301.390 2.566 20 10 DFCDMO CC(=O)c1cc(Cl)cc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)c1O ZINC000376495427 337035055 /nfs/dbraw/zinc/03/50/55/337035055.db2.gz OBMLEVQSVGNFTO-WBMJQRKESA-N 1 1 322.836 2.774 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)c1 ZINC000377543101 337054704 /nfs/dbraw/zinc/05/47/04/337054704.db2.gz PIWYCMVACLODSB-RKLWJJNISA-N 1 1 318.417 2.580 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCCN(CCCOC)CC1 ZINC000377614021 337056130 /nfs/dbraw/zinc/05/61/30/337056130.db2.gz GSSSYQZLHHZSPK-KRWDZBQOSA-N 1 1 306.450 2.888 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1 ZINC000377709321 337059316 /nfs/dbraw/zinc/05/93/16/337059316.db2.gz YFNDFTJCQWETSF-UHFFFAOYSA-N 1 1 313.401 2.814 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cc1F ZINC000377859257 337062623 /nfs/dbraw/zinc/06/26/23/337062623.db2.gz GOCVPDLNOSFADX-HNNXBMFYSA-N 1 1 316.424 2.783 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1N1CCOCC1 ZINC000378340888 337070341 /nfs/dbraw/zinc/07/03/41/337070341.db2.gz IXQPJAHJJQVUGG-AEFFLSMTSA-N 1 1 318.461 2.552 20 10 DFCDMO CCc1nc([C@H]2CCC[N@@H+](Cc3cccc(OC)c3O)C2)no1 ZINC000378347068 337070685 /nfs/dbraw/zinc/07/06/85/337070685.db2.gz BSRWYBXQJLDOSA-ZDUSSCGKSA-N 1 1 317.389 2.726 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2Cn2cncn2)c1O ZINC000378445538 337072960 /nfs/dbraw/zinc/07/29/60/337072960.db2.gz VBAHRQWEJYESRB-CQSZACIVSA-N 1 1 306.797 2.610 20 10 DFCDMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2O)CC1 ZINC000378497305 337074470 /nfs/dbraw/zinc/07/44/70/337074470.db2.gz NGPGYEVHKFWVBP-UHFFFAOYSA-N 1 1 308.397 2.612 20 10 DFCDMO COc1cccc(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1O ZINC000378524064 337075109 /nfs/dbraw/zinc/07/51/09/337075109.db2.gz YESHVHJQRYEPRW-GOSISDBHSA-N 1 1 317.360 2.633 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000228671393 337078197 /nfs/dbraw/zinc/07/81/97/337078197.db2.gz QOBHZQKOWFIJGL-UONOGXRCSA-N 1 1 310.825 2.771 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1O ZINC000228671393 337078198 /nfs/dbraw/zinc/07/81/98/337078198.db2.gz QOBHZQKOWFIJGL-UONOGXRCSA-N 1 1 310.825 2.771 20 10 DFCDMO COc1ccc(N2CCC[N@H+]([C@H](C)c3cnccn3)CC2)cc1 ZINC000184463704 337198968 /nfs/dbraw/zinc/19/89/68/337198968.db2.gz ARPKMCITNPPKHG-OAHLLOKOSA-N 1 1 312.417 2.759 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1O ZINC000184728612 337200187 /nfs/dbraw/zinc/20/01/87/337200187.db2.gz CMMLFKDOBSHMJV-AWEZNQCLSA-N 1 1 315.417 2.589 20 10 DFCDMO C[C@H]([NH2+]C[C@@H]1CCCN1c1cccnn1)c1ccc(F)cc1O ZINC000359961822 337440956 /nfs/dbraw/zinc/44/09/56/337440956.db2.gz SZLLBTSUNMNBPE-JSGCOSHPSA-N 1 1 316.380 2.641 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@](O)(C3CC3)C2)c1O ZINC000365110176 518278156 /nfs/dbraw/zinc/27/81/56/518278156.db2.gz PFYNYARZCRVIKT-MRXNPFEDSA-N 1 1 309.793 2.595 20 10 DFCDMO CCN1CC[C@@H](C[NH2+]C2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000163259827 521710461 /nfs/dbraw/zinc/71/04/61/521710461.db2.gz BCDFYOOLIBAVEL-INIZCTEOSA-N 1 1 317.477 2.595 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)Cc2ccccc2O)cc1OC ZINC000179770499 522774660 /nfs/dbraw/zinc/77/46/60/522774660.db2.gz LUSXUIZDQQNQCB-UHFFFAOYSA-N 1 1 303.358 2.747 20 10 DFCDMO COCCC[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000124574538 523229996 /nfs/dbraw/zinc/22/99/96/523229996.db2.gz FHTGNTNKLVYUBX-UHFFFAOYSA-N 1 1 302.212 2.931 20 10 DFCDMO CN1CCCc2cc(C[NH2+]Cc3cn(C(C)(C)C)nn3)ccc21 ZINC000190907921 523862669 /nfs/dbraw/zinc/86/26/69/523862669.db2.gz VPFBXURFLUZLAE-UHFFFAOYSA-N 1 1 313.449 2.705 20 10 DFCDMO C[C@@H](C(=O)NC1CC1)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131579213 524162864 /nfs/dbraw/zinc/16/28/64/524162864.db2.gz PZWIHTSFIYFLTH-HNNXBMFYSA-N 1 1 315.461 2.776 20 10 DFCDMO COc1ccc(N2CC[NH+](Cc3cncc(C)c3)CC2)cc1F ZINC000189920266 524429395 /nfs/dbraw/zinc/42/93/95/524429395.db2.gz QBICXZZSJSBQLE-UHFFFAOYSA-N 1 1 315.392 2.860 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1 ZINC000179999841 524738878 /nfs/dbraw/zinc/73/88/78/524738878.db2.gz RXDNTGYNKPSVNW-ZDUSSCGKSA-N 1 1 317.389 2.547 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000179975027 524740812 /nfs/dbraw/zinc/74/08/12/524740812.db2.gz SEDVCBUOEQZRGW-HNNXBMFYSA-N 1 1 320.414 2.739 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)c1 ZINC000179975027 524740821 /nfs/dbraw/zinc/74/08/21/524740821.db2.gz SEDVCBUOEQZRGW-HNNXBMFYSA-N 1 1 320.414 2.739 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)c1O ZINC000180774180 524861207 /nfs/dbraw/zinc/86/12/07/524861207.db2.gz MUXNPMPGCFFVEW-CYBMUJFWSA-N 1 1 320.824 2.858 20 10 DFCDMO Cc1ccc(N2CCC[N@@H+](Cc3cccc(C)c3O)CC2)nn1 ZINC000180078307 524946964 /nfs/dbraw/zinc/94/69/64/524946964.db2.gz CRGRCFVMWOHCNK-UHFFFAOYSA-N 1 1 312.417 2.511 20 10 DFCDMO CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)c1ccc(F)cc1O ZINC000286378020 535897704 /nfs/dbraw/zinc/89/77/04/535897704.db2.gz ZWLYKNVCTMRZQR-HNNXBMFYSA-N 1 1 310.413 2.683 20 10 DFCDMO COCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000273430493 536742638 /nfs/dbraw/zinc/74/26/38/536742638.db2.gz VMVMMVFOBZZOQK-LBPRGKRZSA-N 1 1 320.364 2.802 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](CCO)CC(C)C)c1 ZINC000273467962 536792410 /nfs/dbraw/zinc/79/24/10/536792410.db2.gz FDZQDKQCKMKJIO-UONOGXRCSA-N 1 1 323.433 2.874 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@H](O)c2ccsc2)c1 ZINC000273566857 536792821 /nfs/dbraw/zinc/79/28/21/536792821.db2.gz JUBQOEDQCGCRIR-BONVTDFDSA-N 1 1 321.398 2.625 20 10 DFCDMO COc1cc(O)c(C[NH2+][C@H](C)c2c(F)cncc2F)cc1OC ZINC000289260167 536856461 /nfs/dbraw/zinc/85/64/61/536856461.db2.gz FQBIGVVLQJQJAF-SECBINFHSA-N 1 1 324.327 2.933 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736819440 598401431 /nfs/dbraw/zinc/40/14/31/598401431.db2.gz LVMZZZOOIOBIGR-UHFFFAOYSA-N 1 1 322.416 2.565 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H](Cc3noc(C)n3)C2)c1O ZINC000092814130 185343538 /nfs/dbraw/zinc/34/35/38/185343538.db2.gz UYPRXEDGWNURRJ-CYBMUJFWSA-N 1 1 317.389 2.547 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1O ZINC000092072339 398556314 /nfs/dbraw/zinc/55/63/14/398556314.db2.gz ITDIVEUVIIZTEN-AWEZNQCLSA-N 1 1 301.390 2.894 20 10 DFCDMO Cn1cc(C[C@H]2CC[N@@H+](Cc3cc(Cl)ccc3O)C2)cn1 ZINC000093870193 398648791 /nfs/dbraw/zinc/64/87/91/398648791.db2.gz MYXFRKVGCVBGKJ-GFCCVEGCSA-N 1 1 305.809 2.844 20 10 DFCDMO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000137191359 398875545 /nfs/dbraw/zinc/87/55/45/398875545.db2.gz ILEWBTGTTBJYEW-UHFFFAOYSA-N 1 1 311.429 2.501 20 10 DFCDMO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000137191359 398875547 /nfs/dbraw/zinc/87/55/47/398875547.db2.gz ILEWBTGTTBJYEW-UHFFFAOYSA-N 1 1 311.429 2.501 20 10 DFCDMO COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000091960740 193132028 /nfs/dbraw/zinc/13/20/28/193132028.db2.gz RAKZWRMIHATPCG-HIFRSBDPSA-N 1 1 301.390 2.680 20 10 DFCDMO C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273403484 296114746 /nfs/dbraw/zinc/11/47/46/296114746.db2.gz NSTGSCQVVKTKAU-LLVKDONJSA-N 1 1 305.378 2.578 20 10 DFCDMO COc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360269 193238735 /nfs/dbraw/zinc/23/87/35/193238735.db2.gz MVGMCVUKIXOQCQ-LBPRGKRZSA-N 1 1 324.421 2.746 20 10 DFCDMO CCOc1ccc(O)c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093598101 193272113 /nfs/dbraw/zinc/27/21/13/193272113.db2.gz HIGJBCCKMXPHTC-HNNXBMFYSA-N 1 1 304.434 2.709 20 10 DFCDMO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000105275052 194091412 /nfs/dbraw/zinc/09/14/12/194091412.db2.gz OIVUZABFUUTZMH-HNNXBMFYSA-N 1 1 319.449 2.654 20 10 DFCDMO CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066203548 184396734 /nfs/dbraw/zinc/39/67/34/184396734.db2.gz VKBBVSDVFMNEFC-HNNXBMFYSA-N 1 1 320.481 2.624 20 10 DFCDMO Cc1nc(C)n(C[C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)n1 ZINC000272234565 130010763 /nfs/dbraw/zinc/01/07/63/130010763.db2.gz FJUFNJCMNZAGMV-CQSZACIVSA-N 1 1 318.396 2.652 20 10 DFCDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)n1 ZINC000272234565 130010765 /nfs/dbraw/zinc/01/07/65/130010765.db2.gz FJUFNJCMNZAGMV-CQSZACIVSA-N 1 1 318.396 2.652 20 10 DFCDMO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273363276 130110585 /nfs/dbraw/zinc/11/05/85/130110585.db2.gz AUHICBMJSWOGIO-STQMWFEESA-N 1 1 309.406 2.628 20 10 DFCDMO Cc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000273371025 130113009 /nfs/dbraw/zinc/11/30/09/130113009.db2.gz GFIULLZOOLNHSU-ZDUSSCGKSA-N 1 1 316.376 2.920 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H]2CCOC(C)(C)C2)c1 ZINC000273456753 130123756 /nfs/dbraw/zinc/12/37/56/130123756.db2.gz HFSOTJFYRZOWFB-YPMHNXCESA-N 1 1 307.390 2.787 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000273587788 130139827 /nfs/dbraw/zinc/13/98/27/130139827.db2.gz OEDSIUSKABDPNN-XOPPTJLZSA-N 1 1 319.401 2.643 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000274301832 130225064 /nfs/dbraw/zinc/22/50/64/130225064.db2.gz QQKACPMHJDIVIU-PZSREKOKSA-N 1 1 319.401 2.787 20 10 DFCDMO COCCC[N@@H+](CCO)Cc1cc(-c2ccccc2)ccc1O ZINC000275695227 130364698 /nfs/dbraw/zinc/36/46/98/130364698.db2.gz BFADMUYETILGKK-UHFFFAOYSA-N 1 1 315.413 2.890 20 10 DFCDMO CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000275698407 130366056 /nfs/dbraw/zinc/36/60/56/130366056.db2.gz XKUGWIODSCCREB-HOCLYGCPSA-N 1 1 319.380 2.758 20 10 DFCDMO CC(=O)N(C[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1)C1CC1 ZINC000275852405 130399544 /nfs/dbraw/zinc/39/95/44/130399544.db2.gz WYPWIARFOVKJCM-IBGZPJMESA-N 1 1 315.461 2.728 20 10 DFCDMO COc1ccc(C[N@@H+](Cc2ccc(N(C)C)cc2)C(C)C)nn1 ZINC000283607879 131007646 /nfs/dbraw/zinc/00/76/46/131007646.db2.gz QWAGVBGVXJVGSM-UHFFFAOYSA-N 1 1 314.433 2.962 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1OC ZINC000283864058 131030002 /nfs/dbraw/zinc/03/00/02/131030002.db2.gz CISULMXAGGOGIX-DZGCQCFKSA-N 1 1 307.390 2.553 20 10 DFCDMO CCCOc1ccc(C[N@H+]2C[C@H](COC)OC(C)(C)C2)c(O)c1 ZINC000284571673 131093562 /nfs/dbraw/zinc/09/35/62/131093562.db2.gz OGPVPVRGWLYICL-MRXNPFEDSA-N 1 1 323.433 2.807 20 10 DFCDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734592 131107465 /nfs/dbraw/zinc/10/74/65/131107465.db2.gz UCIPOCYKFCSLKU-GBESFXJTSA-N 1 1 318.461 2.769 20 10 DFCDMO CO[C@@H]1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1cccc(C)c1O ZINC000284798152 131112002 /nfs/dbraw/zinc/11/20/02/131112002.db2.gz ZSZIURNVKHPTCX-YESZJQIVSA-N 1 1 305.418 2.717 20 10 DFCDMO CO[C@H]1C[C@@H](C[N@@H+](C)Cc2cc(Cl)cc(C)c2O)N(C)C1 ZINC000284910031 131121038 /nfs/dbraw/zinc/12/10/38/131121038.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 1 1 312.841 2.505 20 10 DFCDMO CO[C@H]1C[C@@H](CN(C)Cc2cc(Cl)cc(C)c2O)[N@H+](C)C1 ZINC000284910031 131121040 /nfs/dbraw/zinc/12/10/40/131121040.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 1 1 312.841 2.505 20 10 DFCDMO CO[C@H]1C[C@@H](CN(C)Cc2cc(Cl)cc(C)c2O)[N@@H+](C)C1 ZINC000284910031 131121041 /nfs/dbraw/zinc/12/10/41/131121041.db2.gz UWADLQJZAZDUTI-GJZGRUSLSA-N 1 1 312.841 2.505 20 10 DFCDMO COCCC[N@H+](Cc1ccncc1)Cc1cccc(F)c1O ZINC000289495615 131390459 /nfs/dbraw/zinc/39/04/59/131390459.db2.gz SGWMYQFCSFPABR-UHFFFAOYSA-N 1 1 304.365 2.965 20 10 DFCDMO COCCC[N@@H+](Cc1ccncc1)Cc1cccc(F)c1O ZINC000289495615 131390460 /nfs/dbraw/zinc/39/04/60/131390460.db2.gz SGWMYQFCSFPABR-UHFFFAOYSA-N 1 1 304.365 2.965 20 10 DFCDMO C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000289542461 131394140 /nfs/dbraw/zinc/39/41/40/131394140.db2.gz IBBJXAYQGWNJFZ-OCCSQVGLSA-N 1 1 307.390 2.636 20 10 DFCDMO CC(C)[C@H](C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298714030 132074960 /nfs/dbraw/zinc/07/49/60/132074960.db2.gz LMKLQGCEYXPIHI-HNNXBMFYSA-N 1 1 305.466 2.687 20 10 DFCDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000299600307 132112531 /nfs/dbraw/zinc/11/25/31/132112531.db2.gz VNXJTLWYSHCJBB-GOSISDBHSA-N 1 1 324.424 2.921 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CCO)c1O ZINC000050132864 425881556 /nfs/dbraw/zinc/88/15/56/425881556.db2.gz QFTUNAZMSLIOFE-CQSZACIVSA-N 1 1 311.809 2.985 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCC[C@@H]2CCO)c1O ZINC000050132864 425881557 /nfs/dbraw/zinc/88/15/57/425881557.db2.gz QFTUNAZMSLIOFE-CQSZACIVSA-N 1 1 311.809 2.985 20 10 DFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000071004437 425981041 /nfs/dbraw/zinc/98/10/41/425981041.db2.gz WGQGJYCWHIAHSM-SFHVURJKSA-N 1 1 304.434 2.524 20 10 DFCDMO C[N@H+](CCCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000103225797 425939637 /nfs/dbraw/zinc/93/96/37/425939637.db2.gz CZSGBQWKRHYGGN-UHFFFAOYSA-N 1 1 324.490 2.543 20 10 DFCDMO C[N@@H+](CCCS(C)(=O)=O)Cc1ccc(N2CCCCC2)cc1 ZINC000103225797 425939638 /nfs/dbraw/zinc/93/96/38/425939638.db2.gz CZSGBQWKRHYGGN-UHFFFAOYSA-N 1 1 324.490 2.543 20 10 DFCDMO Cc1ccc(CNC(=O)C[N@H+](C)Cc2ccccc2O)cc1F ZINC000109773608 426032603 /nfs/dbraw/zinc/03/26/03/426032603.db2.gz NJEADJRFKXAPCW-UHFFFAOYSA-N 1 1 316.376 2.588 20 10 DFCDMO CC1(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CC1 ZINC000134264807 426186698 /nfs/dbraw/zinc/18/66/98/426186698.db2.gz GPMPGCDDDDQWMI-AWEZNQCLSA-N 1 1 322.836 2.926 20 10 DFCDMO C[C@@H]1CCC[N@H+]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629668 426305082 /nfs/dbraw/zinc/30/50/82/426305082.db2.gz MHIWLIPFNXFCJY-CYBMUJFWSA-N 1 1 318.417 2.570 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000121270841 426330235 /nfs/dbraw/zinc/33/02/35/426330235.db2.gz NZUPOLAZZWBOMI-ZDUSSCGKSA-N 1 1 301.390 2.894 20 10 DFCDMO 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427205656 /nfs/dbraw/zinc/20/56/56/427205656.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 1 1 304.434 2.709 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@]3(CCN(C)C3)C2)c(O)c1 ZINC000292891321 427205661 /nfs/dbraw/zinc/20/56/61/427205661.db2.gz YXOKRMVMXYDVBA-SFHVURJKSA-N 1 1 304.434 2.709 20 10 DFCDMO COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277890599 427350096 /nfs/dbraw/zinc/35/00/96/427350096.db2.gz OOKTZVYSLASTND-INIZCTEOSA-N 1 1 306.450 2.594 20 10 DFCDMO COc1ccc(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1C ZINC000277890599 427350102 /nfs/dbraw/zinc/35/01/02/427350102.db2.gz OOKTZVYSLASTND-INIZCTEOSA-N 1 1 306.450 2.594 20 10 DFCDMO COc1ccc(CNCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277890599 427350111 /nfs/dbraw/zinc/35/01/11/427350111.db2.gz OOKTZVYSLASTND-INIZCTEOSA-N 1 1 306.450 2.594 20 10 DFCDMO COc1ccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)cc1C ZINC000277890599 427350122 /nfs/dbraw/zinc/35/01/22/427350122.db2.gz OOKTZVYSLASTND-INIZCTEOSA-N 1 1 306.450 2.594 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CCC[C@H](OC)C3)cc2)CC1 ZINC000296960257 427290231 /nfs/dbraw/zinc/29/02/31/427290231.db2.gz COJLAVWUEUTVNR-IBGZPJMESA-N 1 1 318.461 2.913 20 10 DFCDMO O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271080296 427399441 /nfs/dbraw/zinc/39/94/41/427399441.db2.gz QVFSLNKVGHYJMI-ZDUSSCGKSA-N 1 1 322.836 2.784 20 10 DFCDMO COc1c(O)c(C[NH2+]CCCC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278102827 427405983 /nfs/dbraw/zinc/40/59/83/427405983.db2.gz AHGKYHQPKIDCPS-UHFFFAOYSA-N 1 1 308.256 2.741 20 10 DFCDMO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278227047 427425101 /nfs/dbraw/zinc/42/51/01/427425101.db2.gz JRNSPVPGBOOCIB-YUMQZZPRSA-N 1 1 305.205 2.874 20 10 DFCDMO COc1c(O)c(C[N@@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278319766 427428688 /nfs/dbraw/zinc/42/86/88/427428688.db2.gz FZFZMKFATFOGOS-JTQLQIEISA-N 1 1 312.391 2.636 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCSCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278319766 427428698 /nfs/dbraw/zinc/42/86/98/427428698.db2.gz FZFZMKFATFOGOS-JTQLQIEISA-N 1 1 312.391 2.636 20 10 DFCDMO CCN(CC)c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000278363319 427431201 /nfs/dbraw/zinc/43/12/01/427431201.db2.gz AZSQOCWIDFMAIH-SFHVURJKSA-N 1 1 315.461 2.776 20 10 DFCDMO COc1c(O)c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538219 427440976 /nfs/dbraw/zinc/44/09/76/427440976.db2.gz WRRGGODBQJSLAC-NWDGAFQWSA-N 1 1 324.377 2.604 20 10 DFCDMO COc1c(O)c(C[NH2+]CCSCC(C)C)ccc1[N+](=O)[O-] ZINC000278473393 427443674 /nfs/dbraw/zinc/44/36/74/427443674.db2.gz HWJHPGUKXKQTMS-UHFFFAOYSA-N 1 1 314.407 2.788 20 10 DFCDMO COc1c(O)c(C[NH2+][C@H]2CCOC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000278488767 427443964 /nfs/dbraw/zinc/44/39/64/427443964.db2.gz KWSCVNAMPYKHRU-LBPRGKRZSA-N 1 1 322.361 2.500 20 10 DFCDMO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@H+]2Cc1cc(F)cc(C(C)=O)c1O ZINC000286423000 427521901 /nfs/dbraw/zinc/52/19/01/427521901.db2.gz IMVLYEXHPXHBCR-WADBZAEESA-N 1 1 319.376 2.589 20 10 DFCDMO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000192791544 427612389 /nfs/dbraw/zinc/61/23/89/427612389.db2.gz DQJKTMQIZDOEBL-QMMMGPOBSA-N 1 1 305.205 2.828 20 10 DFCDMO CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1nccnc1OC ZINC000294151533 427567183 /nfs/dbraw/zinc/56/71/83/427567183.db2.gz HMWCQWLXRABPFH-UHFFFAOYSA-N 1 1 300.406 2.573 20 10 DFCDMO CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1nccnc1OC ZINC000294151533 427567187 /nfs/dbraw/zinc/56/71/87/427567187.db2.gz HMWCQWLXRABPFH-UHFFFAOYSA-N 1 1 300.406 2.573 20 10 DFCDMO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(F)cc1O ZINC000185127724 427599536 /nfs/dbraw/zinc/59/95/36/427599536.db2.gz PPDRIPFCBIIMLT-BXUZGUMPSA-N 1 1 323.339 2.761 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000294323324 427624011 /nfs/dbraw/zinc/62/40/11/427624011.db2.gz RBGLFUBZPLBSJC-NSHDSACASA-N 1 1 324.787 2.688 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000294323324 427624018 /nfs/dbraw/zinc/62/40/18/427624018.db2.gz RBGLFUBZPLBSJC-NSHDSACASA-N 1 1 324.787 2.688 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000294459528 427642927 /nfs/dbraw/zinc/64/29/27/427642927.db2.gz YUCVKHSYVHPSJF-JSGCOSHPSA-N 1 1 317.813 2.891 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000294459528 427642933 /nfs/dbraw/zinc/64/29/33/427642933.db2.gz YUCVKHSYVHPSJF-JSGCOSHPSA-N 1 1 317.813 2.891 20 10 DFCDMO CC(C)(C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C(N)=O ZINC000294751202 427651397 /nfs/dbraw/zinc/65/13/97/427651397.db2.gz IESNTAMAWGXKMK-LBPRGKRZSA-N 1 1 308.397 2.645 20 10 DFCDMO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Cl)c(Cl)cc1O ZINC000193067210 427660975 /nfs/dbraw/zinc/66/09/75/427660975.db2.gz RHCLGOFCNJBDBP-SSDOTTSWSA-N 1 1 305.205 2.861 20 10 DFCDMO CCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC000295101020 427691037 /nfs/dbraw/zinc/69/10/37/427691037.db2.gz UZAUOMYCSNJZNY-MQVJKMGUSA-N 1 1 304.434 2.896 20 10 DFCDMO CC(C)[N@@H+](CC(=O)NC(C)(C)C)Cc1ccc(N(C)C)cc1 ZINC000298739895 427692705 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CCOc1cccc(C[NH+]2CCC(c3nnc(C)[nH]3)CC2)c1O ZINC000092736753 398598048 /nfs/dbraw/zinc/59/80/48/398598048.db2.gz LTIKEFYRXKGFJT-UHFFFAOYSA-N 1 1 316.405 2.597 20 10 DFCDMO Cc1cc(NCc2ccc(N3CCOCC3)c(F)c2)nc(C)[nH+]1 ZINC000052457035 398840999 /nfs/dbraw/zinc/84/09/99/398840999.db2.gz HEVBYOUJZLPSAV-UHFFFAOYSA-N 1 1 316.380 2.681 20 10 DFCDMO COc1ccc(N2CCC[N@@H+](C[C@@H]3CCCCO3)CC2)cc1 ZINC000052465272 398841125 /nfs/dbraw/zinc/84/11/25/398841125.db2.gz GGPBXSKKRINTRF-SFHVURJKSA-N 1 1 304.434 2.776 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@H](c3nc(C)no3)C2)c1 ZINC000091833201 193114236 /nfs/dbraw/zinc/11/42/36/193114236.db2.gz MHMBLHODWXXABM-ZDUSSCGKSA-N 1 1 317.389 2.862 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1O ZINC000079438495 399044922 /nfs/dbraw/zinc/04/49/22/399044922.db2.gz XMWPZNRZKMGPRS-GFCCVEGCSA-N 1 1 317.364 2.837 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](C(=O)NC)C2)cc1F ZINC000093360756 193238368 /nfs/dbraw/zinc/23/83/68/193238368.db2.gz 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SUVOIQOESKJSRW-UHFFFAOYSA-N 1 1 315.461 2.776 20 10 DFCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000066703819 425905989 /nfs/dbraw/zinc/90/59/89/425905989.db2.gz BHXOBADQBMKOKZ-CQSZACIVSA-N 1 1 319.449 2.797 20 10 DFCDMO CCCN(Cc1ccccc1O)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000066703820 425906134 /nfs/dbraw/zinc/90/61/34/425906134.db2.gz BHXOBADQBMKOKZ-AWEZNQCLSA-N 1 1 319.449 2.797 20 10 DFCDMO Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111234992 426039747 /nfs/dbraw/zinc/03/97/47/426039747.db2.gz UXAZLGVJOKBUTL-QGZVFWFLSA-N 1 1 315.413 2.881 20 10 DFCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CCOCC1 ZINC000112698060 426087454 /nfs/dbraw/zinc/08/74/54/426087454.db2.gz KEYVZWXQCOCWAC-KRWDZBQOSA-N 1 1 305.418 2.800 20 10 DFCDMO C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103293 426089714 /nfs/dbraw/zinc/08/97/14/426089714.db2.gz ACOUFCDELIILHY-MSOLQXFVSA-N 1 1 318.461 2.858 20 10 DFCDMO C[N@@H+]1CCC[C@@H]1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103293 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COc1ccc(N2CCCN(CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000162839886 426079590 /nfs/dbraw/zinc/07/95/90/426079590.db2.gz CXXNYXRJXKLJAH-QGZVFWFLSA-N 1 1 317.477 2.692 20 10 DFCDMO COc1ccc(N2CCCN(CC[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000162839886 426079592 /nfs/dbraw/zinc/07/95/92/426079592.db2.gz CXXNYXRJXKLJAH-QGZVFWFLSA-N 1 1 317.477 2.692 20 10 DFCDMO C[N@H+](Cc1ccccc1O)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000172798524 426231167 /nfs/dbraw/zinc/23/11/67/426231167.db2.gz ULVLFHCWAQTKIC-MRXNPFEDSA-N 1 1 312.369 2.849 20 10 DFCDMO CC[C@@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295713 426288190 /nfs/dbraw/zinc/28/81/90/426288190.db2.gz PPOJMIQTLCGMOT-RTBURBONSA-N 1 1 319.493 2.640 20 10 DFCDMO CC[C@@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295713 426288193 /nfs/dbraw/zinc/28/81/93/426288193.db2.gz PPOJMIQTLCGMOT-RTBURBONSA-N 1 1 319.493 2.640 20 10 DFCDMO CCC[N@H+](Cc1ccccc1O)Cc1nc(CC)cc(=O)[nH]1 ZINC000119743147 426302061 /nfs/dbraw/zinc/30/20/61/426302061.db2.gz 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426358630 /nfs/dbraw/zinc/35/86/30/426358630.db2.gz JJWWHXFPLSNHEX-INIZCTEOSA-N 1 1 303.358 2.957 20 10 DFCDMO CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000154012121 426418545 /nfs/dbraw/zinc/41/85/45/426418545.db2.gz IQBMTPNZGPPORE-AWEZNQCLSA-N 1 1 322.405 2.501 20 10 DFCDMO C[N@@H+](CCC1OCCO1)Cc1ccc(N2CCCCC2)cc1 ZINC000123655192 426446608 /nfs/dbraw/zinc/44/66/08/426446608.db2.gz FTHQESXVRGKXNS-UHFFFAOYSA-N 1 1 304.434 2.872 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)NC)cc1 ZINC000154803661 426456578 /nfs/dbraw/zinc/45/65/78/426456578.db2.gz GTNWZJOMLXRWTE-QGZVFWFLSA-N 1 1 303.450 2.633 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCOC[C@@]12CCOC2 ZINC000195015367 426497891 /nfs/dbraw/zinc/49/78/91/426497891.db2.gz UZMSLQUCKQDMRR-IBGZPJMESA-N 1 1 316.445 2.668 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCOC[C@@]12CCOC2 ZINC000195015367 426497893 /nfs/dbraw/zinc/49/78/93/426497893.db2.gz UZMSLQUCKQDMRR-IBGZPJMESA-N 1 1 316.445 2.668 20 10 DFCDMO CC[C@@H]([NH2+]C[C@H](C)CN1CCN(C)CC1)c1ccc(C)cc1O ZINC000280119744 426503504 /nfs/dbraw/zinc/50/35/04/426503504.db2.gz OGJSFIYCBSROPM-FUHWJXTLSA-N 1 1 319.493 2.625 20 10 DFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450455 426578905 /nfs/dbraw/zinc/57/89/05/426578905.db2.gz LFIJVOXVWHCBHU-WQGACYEGSA-N 1 1 311.809 2.814 20 10 DFCDMO C[C@H]1OCC[C@]12C[N@@H+](Cc1c(O)cccc1Cl)C[C@@H](C)O2 ZINC000280450448 426579720 /nfs/dbraw/zinc/57/97/20/426579720.db2.gz LFIJVOXVWHCBHU-HSMVNMDESA-N 1 1 311.809 2.814 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)c1 ZINC000280584352 426607557 /nfs/dbraw/zinc/60/75/57/426607557.db2.gz WYUZXUPALRHGNC-IYOUNJFTSA-N 1 1 321.417 2.559 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1 ZINC000187545172 426669840 /nfs/dbraw/zinc/66/98/40/426669840.db2.gz GFBRSEQDIUWAAZ-GOSISDBHSA-N 1 1 304.434 2.524 20 10 DFCDMO CCOc1ccc(O)c(C[NH2+]Cc2csc(COC)n2)c1 ZINC000289807699 426674519 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CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)c1O ZINC000292921807 427205389 /nfs/dbraw/zinc/20/53/89/427205389.db2.gz BWEUDMOGLDOPHA-GOSISDBHSA-N 1 1 323.408 2.964 20 10 DFCDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)[C@H](C)O1 ZINC000296642817 427226928 /nfs/dbraw/zinc/22/69/28/427226928.db2.gz CLTGAVVJYLEUIA-PTRXPTGYSA-N 1 1 300.196 2.810 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](C3(C)OCCO3)C2)c1O ZINC000183247727 427232102 /nfs/dbraw/zinc/23/21/02/427232102.db2.gz MWHFAQVWZAEUMU-OAHLLOKOSA-N 1 1 321.417 2.766 20 10 DFCDMO Cc1ccncc1C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000269725862 427264209 /nfs/dbraw/zinc/26/42/09/427264209.db2.gz VABNVXXCNCQAGX-UHFFFAOYSA-N 1 1 311.429 2.859 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CCCO[C@H](C)C3)cc2)CC1 ZINC000297026469 427308632 /nfs/dbraw/zinc/30/86/32/427308632.db2.gz HBRCQCBTPAFUMP-MRXNPFEDSA-N 1 1 318.461 2.913 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1O ZINC000270134083 427317959 /nfs/dbraw/zinc/31/79/59/427317959.db2.gz 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/nfs/dbraw/zinc/35/21/15/427352115.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 1 1 304.434 2.709 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@]3(C2)CCCN(C)C3)c1 ZINC000293524502 427352119 /nfs/dbraw/zinc/35/21/19/427352119.db2.gz BHSQAFSEONSOTN-GOSISDBHSA-N 1 1 304.434 2.709 20 10 DFCDMO CN(C)c1ccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191748577 427418515 /nfs/dbraw/zinc/41/85/15/427418515.db2.gz GOJONKLKZNRLQS-QGZVFWFLSA-N 1 1 316.474 2.776 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)cc1 ZINC000191748577 427418521 /nfs/dbraw/zinc/41/85/21/427418521.db2.gz GOJONKLKZNRLQS-QGZVFWFLSA-N 1 1 316.474 2.776 20 10 DFCDMO COc1cc(O)c(C[N@H+](C)C2CCC(OC)CC2)cc1OC ZINC000271103604 427403984 /nfs/dbraw/zinc/40/39/84/427403984.db2.gz QMUNCBVZJHLBBW-UHFFFAOYSA-N 1 1 309.406 2.799 20 10 DFCDMO COc1c(O)c(C[NH2+]C[C@]2(C)CCCS2)ccc1[N+](=O)[O-] ZINC000278102618 427404546 /nfs/dbraw/zinc/40/45/46/427404546.db2.gz ACSSUOWUWAPJMH-AWEZNQCLSA-N 1 1 312.391 2.684 20 10 DFCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000271260415 427471466 /nfs/dbraw/zinc/47/14/66/427471466.db2.gz GZTKRYQSTKBHPR-INIZCTEOSA-N 1 1 318.465 2.556 20 10 DFCDMO C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)c(F)c1[O-] ZINC000278864791 427480710 /nfs/dbraw/zinc/48/07/10/427480710.db2.gz BEUYGCARMUHXQI-GHMZBOCLSA-N 1 1 307.344 2.780 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000293736397 427420756 /nfs/dbraw/zinc/42/07/56/427420756.db2.gz WUHUXIUAMFGQCF-GFCCVEGCSA-N 1 1 321.783 2.948 20 10 DFCDMO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227434 427424836 /nfs/dbraw/zinc/42/48/36/427424836.db2.gz MGHZGUVIRXVRRO-UHFFFAOYSA-N 1 1 312.366 2.558 20 10 DFCDMO CCCC[N@@H+](CCOC)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278227434 427424839 /nfs/dbraw/zinc/42/48/39/427424839.db2.gz MGHZGUVIRXVRRO-UHFFFAOYSA-N 1 1 312.366 2.558 20 10 DFCDMO COc1c(O)c(C[NH2+]C[C@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000278292551 427427099 /nfs/dbraw/zinc/42/70/99/427427099.db2.gz BUTWUPTWFDEYJQ-VIFPVBQESA-N 1 1 323.374 2.659 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+](C)CCc2noc(C)n2)cc1 ZINC000271189620 427438519 /nfs/dbraw/zinc/43/85/19/427438519.db2.gz RVGSHROVYVBFBV-UHFFFAOYSA-N 1 1 302.422 2.899 20 10 DFCDMO C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1cscn1 ZINC000271189692 427440446 /nfs/dbraw/zinc/44/04/46/427440446.db2.gz XJTMJINBWFTJPW-GFCCVEGCSA-N 1 1 321.421 2.970 20 10 DFCDMO CCSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278541078 427443579 /nfs/dbraw/zinc/44/35/79/427443579.db2.gz XHZKLWKZRFFDMR-SNVBAGLBSA-N 1 1 314.407 2.930 20 10 DFCDMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)[nH]1 ZINC000271332297 427497406 /nfs/dbraw/zinc/49/74/06/427497406.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 1 1 306.797 2.852 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271332297 427497412 /nfs/dbraw/zinc/49/74/12/427497412.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 1 1 306.797 2.852 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000271332297 427497418 /nfs/dbraw/zinc/49/74/18/427497418.db2.gz NHFORFUWJGMRNP-LLVKDONJSA-N 1 1 306.797 2.852 20 10 DFCDMO CO[C@H]1C[C@@H](CN2CCCC2)[N@@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000286442330 427531799 /nfs/dbraw/zinc/53/17/99/427531799.db2.gz QFRYEYNLFZWUSZ-ROUUACIJSA-N 1 1 318.461 2.694 20 10 DFCDMO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2cc(C)c(C)cc2O)C1 ZINC000286442330 427531806 /nfs/dbraw/zinc/53/18/06/427531806.db2.gz QFRYEYNLFZWUSZ-ROUUACIJSA-N 1 1 318.461 2.694 20 10 DFCDMO Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2c2cccnn2)c1O ZINC000271719780 427584172 /nfs/dbraw/zinc/58/41/72/427584172.db2.gz JJVWEGZEUBXLOY-INIZCTEOSA-N 1 1 312.417 2.591 20 10 DFCDMO CCN1CCN(C[C@H](C)C[NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000185345020 427636826 /nfs/dbraw/zinc/63/68/26/427636826.db2.gz MDCOEBISWXSQQJ-SJORKVTESA-N 1 1 319.493 2.625 20 10 DFCDMO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294931287 427665910 /nfs/dbraw/zinc/66/59/10/427665910.db2.gz OVZLQQAEANYHKV-NSHDSACASA-N 1 1 314.788 2.533 20 10 DFCDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294931287 427665918 /nfs/dbraw/zinc/66/59/18/427665918.db2.gz OVZLQQAEANYHKV-NSHDSACASA-N 1 1 314.788 2.533 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](C)Cc2cnn(CC(F)F)c2)cc1 ZINC000294914186 427666295 /nfs/dbraw/zinc/66/62/95/427666295.db2.gz NQZQDKXQJCQFPB-UHFFFAOYSA-N 1 1 308.376 2.846 20 10 DFCDMO COC1CCN(c2ccc(C[N@@H+](C)C[C@H]3CCOC3)cc2)CC1 ZINC000294975567 427669920 /nfs/dbraw/zinc/66/99/20/427669920.db2.gz LZRKNCCBPBDLJN-QGZVFWFLSA-N 1 1 318.461 2.770 20 10 DFCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1 ZINC000294945901 427666356 /nfs/dbraw/zinc/66/63/56/427666356.db2.gz HEJZNZXDTQGKLB-ZBFHGGJFSA-N 1 1 302.349 2.936 20 10 DFCDMO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Cl)c(Cl)cc1O ZINC000193272689 427680015 /nfs/dbraw/zinc/68/00/15/427680015.db2.gz VFXYJEXNWKHWCD-MRVPVSSYSA-N 1 1 317.216 2.876 20 10 DFCDMO C[C@]1(O)CCC[N@@H+](Cc2cc(Br)ccc2O)CC1 ZINC000279704421 427716084 /nfs/dbraw/zinc/71/60/84/427716084.db2.gz ROZYFDCASKVEEA-AWEZNQCLSA-N 1 1 314.223 2.892 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@H](C2CC2)O1 ZINC000369527875 427989044 /nfs/dbraw/zinc/98/90/44/427989044.db2.gz POQBOBCTIZVDLK-HNAYVOBHSA-N 1 1 316.445 2.523 20 10 DFCDMO CCN(CC)CC[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000371559865 428394194 /nfs/dbraw/zinc/39/41/94/428394194.db2.gz BJFJNXSEPOXPCJ-UHFFFAOYSA-N 1 1 319.493 2.938 20 10 DFCDMO CC[NH+](CC)CCN(C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000371559865 428394197 /nfs/dbraw/zinc/39/41/97/428394197.db2.gz BJFJNXSEPOXPCJ-UHFFFAOYSA-N 1 1 319.493 2.938 20 10 DFCDMO CCn1cnnc1C1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000371535474 428394750 /nfs/dbraw/zinc/39/47/50/428394750.db2.gz RDGDXUDEFFZLHB-UHFFFAOYSA-N 1 1 304.369 2.522 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1OC ZINC000371357378 428385347 /nfs/dbraw/zinc/38/53/47/428385347.db2.gz KPGUFPXTCAWJBU-CSMYWGQOSA-N 1 1 321.417 2.655 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2CCCN2C)c1 ZINC000371383586 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/nfs/dbraw/zinc/10/32/87/130103287.db2.gz ANCQDYDVMFECEE-JTQLQIEISA-N 1 1 306.387 2.795 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CC2(C)CCOCC2)c1 ZINC000273486773 130127387 /nfs/dbraw/zinc/12/73/87/130127387.db2.gz NIKHTOXWZOVRSL-LBPRGKRZSA-N 1 1 307.390 2.646 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)c1 ZINC000273511649 130130366 /nfs/dbraw/zinc/13/03/66/130130366.db2.gz RVIGUKVIUHUWJT-AAEUAGOBSA-N 1 1 309.406 2.627 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)c1 ZINC000273511655 130130679 /nfs/dbraw/zinc/13/06/79/130130679.db2.gz RVIGUKVIUHUWJT-WCQYABFASA-N 1 1 309.406 2.627 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)c2ccco2)c1 ZINC000274459826 130237621 /nfs/dbraw/zinc/23/76/21/130237621.db2.gz NYIKWJWXUYAGAY-RISCZKNCSA-N 1 1 319.357 2.546 20 10 DFCDMO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2O)C12CCOCC2 ZINC000274458547 130238086 /nfs/dbraw/zinc/23/80/86/130238086.db2.gz GYFIZDYASFZNRD-LSDHHAIUSA-N 1 1 309.381 2.595 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCN2CCN(C)CC2)c(O)c1C ZINC000274659101 130252161 /nfs/dbraw/zinc/25/21/61/130252161.db2.gz VGUIOTVASGWLKG-DOTOQJQBSA-N 1 1 319.493 2.686 20 10 DFCDMO CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(F)c1O ZINC000275713177 130368375 /nfs/dbraw/zinc/36/83/75/130368375.db2.gz YMIWENNHWBHNEW-SUMWQHHRSA-N 1 1 319.380 2.615 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1ccc(F)cc1O ZINC000278384385 130687267 /nfs/dbraw/zinc/68/72/67/130687267.db2.gz FLNMYJWCEULLSX-GXTWGEPZSA-N 1 1 318.396 2.584 20 10 DFCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000283671833 131012582 /nfs/dbraw/zinc/01/25/82/131012582.db2.gz GGTOKQNNVZJCCD-MRXNPFEDSA-N 1 1 319.449 2.798 20 10 DFCDMO COc1ccc([C@H](CN(C)C)[NH2+]Cc2cccc(F)c2O)cc1 ZINC000284964438 131126397 /nfs/dbraw/zinc/12/63/97/131126397.db2.gz IBPHIKFONMHLOI-KRWDZBQOSA-N 1 1 318.392 2.932 20 10 DFCDMO COC(=O)C[N@@H+](CCCCF)Cc1cc(Cl)ccc1O ZINC000285116101 131139524 /nfs/dbraw/zinc/13/95/24/131139524.db2.gz AEICFQZBIQKTHQ-UHFFFAOYSA-N 1 1 303.761 2.770 20 10 DFCDMO C[N@@H+](CCOC1CCC1)Cc1ccc(N2CCOCC2)cc1 ZINC000287490416 131283379 /nfs/dbraw/zinc/28/33/79/131283379.db2.gz XMMCAPHFLYUSMC-UHFFFAOYSA-N 1 1 304.434 2.524 20 10 DFCDMO CCOc1cccc(C[N@@H+](CCCO)Cc2ccccn2)c1O ZINC000289181433 131363884 /nfs/dbraw/zinc/36/38/84/131363884.db2.gz AMDLYLDMLVJURE-UHFFFAOYSA-N 1 1 316.401 2.571 20 10 DFCDMO CCOc1cccc(C[N@@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289234754 131367997 /nfs/dbraw/zinc/36/79/97/131367997.db2.gz DGZVCHGYDLMIPG-GFCCVEGCSA-N 1 1 301.333 2.647 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCOC[C@H]2CC(F)F)c1O ZINC000289234754 131367999 /nfs/dbraw/zinc/36/79/99/131367999.db2.gz DGZVCHGYDLMIPG-GFCCVEGCSA-N 1 1 301.333 2.647 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289529625 131394035 /nfs/dbraw/zinc/39/40/35/131394035.db2.gz HPDNMPWTTFCLKW-CYBMUJFWSA-N 1 1 307.287 2.811 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000289529625 131394038 /nfs/dbraw/zinc/39/40/38/131394038.db2.gz HPDNMPWTTFCLKW-CYBMUJFWSA-N 1 1 307.287 2.811 20 10 DFCDMO CCOc1cccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)c1O ZINC000289590205 131398653 /nfs/dbraw/zinc/39/86/53/131398653.db2.gz UMUVLJFXSRWSSX-UHFFFAOYSA-N 1 1 313.401 2.814 20 10 DFCDMO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000289587321 131399307 /nfs/dbraw/zinc/39/93/07/131399307.db2.gz ATFBHDKAHXNFNT-XDYOCTJHSA-N 1 1 306.189 2.763 20 10 DFCDMO C[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccc(F)cc1O ZINC000366663043 131399447 /nfs/dbraw/zinc/39/94/47/131399447.db2.gz GPWSEDYJRDDWFX-GUTXKFCHSA-N 1 1 320.408 2.973 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1O ZINC000289737657 131411337 /nfs/dbraw/zinc/41/13/37/131411337.db2.gz PYKCSXPBDPGZKL-AWEZNQCLSA-N 1 1 319.323 2.680 20 10 DFCDMO C[C@H](CN[C@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000293770179 543021417 /nfs/dbraw/zinc/02/14/17/543021417.db2.gz SOKBRWYDXFAICR-HUUCEWRRSA-N 1 1 323.456 2.511 20 10 DFCDMO C[C@@H]([NH2+]Cc1ncnn1C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000282667073 287042703 /nfs/dbraw/zinc/04/27/03/287042703.db2.gz IWZDKGQFAPKLQS-CYBMUJFWSA-N 1 1 301.438 2.950 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1C ZINC000069796953 425957718 /nfs/dbraw/zinc/95/77/18/425957718.db2.gz MZPYJQLDLYIYST-QGZVFWFLSA-N 1 1 318.461 2.553 20 10 DFCDMO CCOC(=O)CCC[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976559 425979097 /nfs/dbraw/zinc/97/90/97/425979097.db2.gz MWZXOEPKYBAGMN-INIZCTEOSA-N 1 1 321.417 2.717 20 10 DFCDMO C[C@@H](C(=O)NCc1cccs1)[N@@H+](C)Cc1ccccc1O ZINC000109769205 426033354 /nfs/dbraw/zinc/03/33/54/426033354.db2.gz BUKYYFTYEDAKCK-LBPRGKRZSA-N 1 1 304.415 2.590 20 10 DFCDMO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000168526155 426135385 /nfs/dbraw/zinc/13/53/85/426135385.db2.gz XMDSTXDYEHACSK-QGZVFWFLSA-N 1 1 315.461 2.725 20 10 DFCDMO CN(CC[N@@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000114721355 426142518 /nfs/dbraw/zinc/14/25/18/426142518.db2.gz FPXFOFOABQOKBF-UHFFFAOYSA-N 1 1 300.402 2.662 20 10 DFCDMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902087 426159183 /nfs/dbraw/zinc/15/91/83/426159183.db2.gz OBIMGUKOAOQNOD-SFHVURJKSA-N 1 1 315.461 2.777 20 10 DFCDMO C[C@H]1CCC[N@H+]1C1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000151629744 426304388 /nfs/dbraw/zinc/30/43/88/426304388.db2.gz MHIWLIPFNXFCJY-ZDUSSCGKSA-N 1 1 318.417 2.570 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1O ZINC000092096099 426346264 /nfs/dbraw/zinc/34/62/64/426346264.db2.gz DFFWUQXDXWVRIU-OWCLPIDISA-N 1 1 321.417 2.559 20 10 DFCDMO C[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCOC1 ZINC000093839570 426357356 /nfs/dbraw/zinc/35/73/56/426357356.db2.gz DXXXLHSMWNJSRZ-SNVBAGLBSA-N 1 1 300.196 2.623 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000093691657 426357684 /nfs/dbraw/zinc/35/76/84/426357684.db2.gz OBOSSVIHAIAXOU-QGZVFWFLSA-N 1 1 314.385 2.839 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841762 426357935 /nfs/dbraw/zinc/35/79/35/426357935.db2.gz KHBYEVJUKFNHRQ-KRWDZBQOSA-N 1 1 303.358 2.957 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCO[C@H](c3ccco3)C2)c1 ZINC000093841762 426357940 /nfs/dbraw/zinc/35/79/40/426357940.db2.gz KHBYEVJUKFNHRQ-KRWDZBQOSA-N 1 1 303.358 2.957 20 10 DFCDMO Cc1ccc([C@H]2C[N@H+](Cc3cc4c(cc3O)OCO4)CCO2)o1 ZINC000093865058 426359740 /nfs/dbraw/zinc/35/97/40/426359740.db2.gz RGTGZENZTQPBCC-QGZVFWFLSA-N 1 1 317.341 2.596 20 10 DFCDMO Cc1ccc([C@H]2C[N@@H+](Cc3cc4c(cc3O)OCO4)CCO2)o1 ZINC000093865058 426359743 /nfs/dbraw/zinc/35/97/43/426359743.db2.gz RGTGZENZTQPBCC-QGZVFWFLSA-N 1 1 317.341 2.596 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H](n3cc(C)cn3)C2)c1O ZINC000123062886 426412048 /nfs/dbraw/zinc/41/20/48/426412048.db2.gz NRTJANDMTYONHW-HNNXBMFYSA-N 1 1 301.390 2.743 20 10 DFCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000154012252 426417995 /nfs/dbraw/zinc/41/79/95/426417995.db2.gz IQBMTPNZGPPORE-CQSZACIVSA-N 1 1 322.405 2.501 20 10 DFCDMO Cc1cc(C(=O)N2CCC[N@H+](C)CC2)c(C)n1-c1ccccc1 ZINC000098067779 426477559 /nfs/dbraw/zinc/47/75/59/426477559.db2.gz BCIBXGCAGWHROC-UHFFFAOYSA-N 1 1 311.429 2.872 20 10 DFCDMO CC(C)c1nnc2n1C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1O)CC2 ZINC000186293366 426501259 /nfs/dbraw/zinc/50/12/59/426501259.db2.gz UXCYANBQWAOCJO-YPMHNXCESA-N 1 1 318.396 2.912 20 10 DFCDMO CC[C@H](C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1O)N1CCCC1 ZINC000273444820 426665751 /nfs/dbraw/zinc/66/57/51/426665751.db2.gz ZTDWYQQKTZMZJJ-UKRRQHHQSA-N 1 1 320.433 2.704 20 10 DFCDMO Cc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1O ZINC000289659083 426671622 /nfs/dbraw/zinc/67/16/22/426671622.db2.gz NDTCHYLCEOEOEV-OLZOCXBDSA-N 1 1 303.324 2.693 20 10 DFCDMO CCOc1cccc(C[N@@H+]2CCC[C@H]2c2nc(C)no2)c1O ZINC000289758576 426672369 /nfs/dbraw/zinc/67/23/69/426672369.db2.gz JRAZCFXNMRYIDH-ZDUSSCGKSA-N 1 1 303.362 2.819 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@H]2c2nc(C)no2)c1O ZINC000289758576 426672378 /nfs/dbraw/zinc/67/23/78/426672378.db2.gz JRAZCFXNMRYIDH-ZDUSSCGKSA-N 1 1 303.362 2.819 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)c1 ZINC000273500855 426675372 /nfs/dbraw/zinc/67/53/72/426675372.db2.gz QAHMUAMIPKWQEF-OZVIIMIRSA-N 1 1 307.390 2.787 20 10 DFCDMO CC(C)[N@H+](C)C[C@@H](C)NCc1cc(Br)ccc1O ZINC000289910131 426676723 /nfs/dbraw/zinc/67/67/23/426676723.db2.gz URVFDMGSOLEEJS-LLVKDONJSA-N 1 1 315.255 2.973 20 10 DFCDMO CC(C)[N@@H+](C)C[C@@H](C)NCc1cc(Br)ccc1O ZINC000289910131 426676728 /nfs/dbraw/zinc/67/67/28/426676728.db2.gz URVFDMGSOLEEJS-LLVKDONJSA-N 1 1 315.255 2.973 20 10 DFCDMO CC[C@H](C[NH2+]Cc1cccc(F)c1O)NC(=O)OC(C)(C)C ZINC000227717752 426630562 /nfs/dbraw/zinc/63/05/62/426630562.db2.gz NPIANOUHAHIRID-GFCCVEGCSA-N 1 1 312.385 2.924 20 10 DFCDMO COCC[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000281686830 426744078 /nfs/dbraw/zinc/74/40/78/426744078.db2.gz RUIVOSMZYNXDBK-DTWKUNHWSA-N 1 1 308.205 2.747 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245608040 426756605 /nfs/dbraw/zinc/75/66/05/426756605.db2.gz AAPHOAUFLWFWMM-HUUCEWRRSA-N 1 1 311.809 2.734 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245608040 426756608 /nfs/dbraw/zinc/75/66/08/426756608.db2.gz AAPHOAUFLWFWMM-HUUCEWRRSA-N 1 1 311.809 2.734 20 10 DFCDMO Cc1c[nH]nc1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290436784 426764114 /nfs/dbraw/zinc/76/41/14/426764114.db2.gz NLCZWVNIDVESCC-HNNXBMFYSA-N 1 1 301.390 2.605 20 10 DFCDMO Cc1c[nH]nc1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000290436784 426764117 /nfs/dbraw/zinc/76/41/17/426764117.db2.gz NLCZWVNIDVESCC-HNNXBMFYSA-N 1 1 301.390 2.605 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@H]32)c1O ZINC000245719543 426765596 /nfs/dbraw/zinc/76/55/96/426765596.db2.gz DFFWUQXDXWVRIU-ARFHVFGLSA-N 1 1 321.417 2.559 20 10 DFCDMO COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cccc(OC)c1O ZINC000246124994 426802332 /nfs/dbraw/zinc/80/23/32/426802332.db2.gz ACRUJLXHPZRIHU-YUELXQCFSA-N 1 1 319.401 2.707 20 10 DFCDMO Cc1cc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)c(C)o1 ZINC000179562023 426802827 /nfs/dbraw/zinc/80/28/27/426802827.db2.gz WOLCRHGOATUWPZ-UHFFFAOYSA-N 1 1 314.385 2.560 20 10 DFCDMO CCc1nsc(N2CCC[N@@H+](Cc3ccccc3O)CC2)n1 ZINC000179584843 426804657 /nfs/dbraw/zinc/80/46/57/426804657.db2.gz LGWSQBRSHGTUPO-UHFFFAOYSA-N 1 1 318.446 2.518 20 10 DFCDMO Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000179669584 426812588 /nfs/dbraw/zinc/81/25/88/426812588.db2.gz SKKWWNUIHGSXGE-CQSZACIVSA-N 1 1 306.406 2.800 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H](C)C[N@H+](C)C(C)C)c1O ZINC000291585607 426921817 /nfs/dbraw/zinc/92/18/17/426921817.db2.gz PHDMIBDOIOHZGB-LLVKDONJSA-N 1 1 300.830 2.873 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H](C)C[N@@H+](C)C(C)C)c1O ZINC000291585607 426921822 /nfs/dbraw/zinc/92/18/22/426921822.db2.gz PHDMIBDOIOHZGB-LLVKDONJSA-N 1 1 300.830 2.873 20 10 DFCDMO COc1cccc(C[N@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)c1O ZINC000290881620 426863254 /nfs/dbraw/zinc/86/32/54/426863254.db2.gz KUQOLQRYDDNZOI-WBVHZDCISA-N 1 1 303.402 2.934 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@@H]1[C@H]1CCCO1)OCO2 ZINC000290947660 426871090 /nfs/dbraw/zinc/87/10/90/426871090.db2.gz QKQNXNLTYWBBNV-PBHICJAKSA-N 1 1 317.385 2.654 20 10 DFCDMO Cn1cc([C@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000295262124 426881995 /nfs/dbraw/zinc/88/19/95/426881995.db2.gz GYDOKVMVWNUSDR-JTQLQIEISA-N 1 1 309.772 2.908 20 10 DFCDMO Cn1cc([C@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000295262124 426882001 /nfs/dbraw/zinc/88/20/01/426882001.db2.gz GYDOKVMVWNUSDR-JTQLQIEISA-N 1 1 309.772 2.908 20 10 DFCDMO OC[C@]1(C[NH2+]Cc2cccc(F)c2O)C[C@H]1c1ccccc1 ZINC000291481737 426893536 /nfs/dbraw/zinc/89/35/36/426893536.db2.gz FXXXNSWRESGYRW-MAUKXSAKSA-N 1 1 301.361 2.787 20 10 DFCDMO CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cc(C)c(C)cc3O)[C@@H]2C1 ZINC000247050133 426898644 /nfs/dbraw/zinc/89/86/44/426898644.db2.gz VFJHCVHWYAFEOB-JFIYKMOQSA-N 1 1 305.418 2.777 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000295323281 426909017 /nfs/dbraw/zinc/90/90/17/426909017.db2.gz LKYVZMPECANGHB-SNVBAGLBSA-N 1 1 315.772 2.770 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000295323281 426909023 /nfs/dbraw/zinc/90/90/23/426909023.db2.gz LKYVZMPECANGHB-SNVBAGLBSA-N 1 1 315.772 2.770 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCCCN3C[C@H]2C)c1O ZINC000316777154 426950089 /nfs/dbraw/zinc/95/00/89/426950089.db2.gz AATSPOWPJSZWRN-ZBFHGGJFSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1cccc(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1O ZINC000316777154 426950094 /nfs/dbraw/zinc/95/00/94/426950094.db2.gz AATSPOWPJSZWRN-ZBFHGGJFSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1cccc(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1O ZINC000316777154 426950098 /nfs/dbraw/zinc/95/00/98/426950098.db2.gz AATSPOWPJSZWRN-ZBFHGGJFSA-N 1 1 304.434 2.850 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275872778 426936038 /nfs/dbraw/zinc/93/60/38/426936038.db2.gz NYJALVLRTULFFX-HDJSIYSDSA-N 1 1 311.809 2.984 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000275872778 426936043 /nfs/dbraw/zinc/93/60/43/426936043.db2.gz NYJALVLRTULFFX-HDJSIYSDSA-N 1 1 311.809 2.984 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1O ZINC000275872778 426936047 /nfs/dbraw/zinc/93/60/47/426936047.db2.gz NYJALVLRTULFFX-HDJSIYSDSA-N 1 1 311.809 2.984 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c1 ZINC000248866962 427055345 /nfs/dbraw/zinc/05/53/45/427055345.db2.gz TWEJGVJLGHGYTD-NUTKFTJISA-N 1 1 319.401 2.564 20 10 DFCDMO O[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(N5CCCCC5)cc4)[C@H]1[C@H]3C2 ZINC000249457469 427117094 /nfs/dbraw/zinc/11/70/94/427117094.db2.gz GJGRGXITXBYZHB-CZKCSJLSSA-N 1 1 312.457 2.878 20 10 DFCDMO CCOCc1cc(C[NH2+]Cc2cnccc2OC)ccc1OC ZINC000292644984 427196017 /nfs/dbraw/zinc/19/60/17/427196017.db2.gz KPDPOXGDIXDELQ-UHFFFAOYSA-N 1 1 316.401 2.925 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000252865493 427197318 /nfs/dbraw/zinc/19/73/18/427197318.db2.gz QOBHZQKOWFIJGL-KBPBESRZSA-N 1 1 310.825 2.771 20 10 DFCDMO COc1cc(Cl)cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1O ZINC000252865493 427197321 /nfs/dbraw/zinc/19/73/21/427197321.db2.gz QOBHZQKOWFIJGL-KBPBESRZSA-N 1 1 310.825 2.771 20 10 DFCDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)[nH]1 ZINC000292758599 427197761 /nfs/dbraw/zinc/19/77/61/427197761.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 1 313.449 2.867 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000292758599 427197764 /nfs/dbraw/zinc/19/77/64/427197764.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 1 313.449 2.867 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n1 ZINC000292758599 427197770 /nfs/dbraw/zinc/19/77/70/427197770.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 1 313.449 2.867 20 10 DFCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000292758599 427197774 /nfs/dbraw/zinc/19/77/74/427197774.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 1 313.449 2.867 20 10 DFCDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(C)c3)C2)n[nH]1 ZINC000292758599 427197777 /nfs/dbraw/zinc/19/77/77/427197777.db2.gz IQHKKTFIIVALPE-MRXNPFEDSA-N 1 1 313.449 2.867 20 10 DFCDMO Cc1cc(C[NH2+]Cc2cccc(F)c2O)nc(N2CCCC2)n1 ZINC000292786302 427199380 /nfs/dbraw/zinc/19/93/80/427199380.db2.gz LYFMGVPYDMZVIU-UHFFFAOYSA-N 1 1 316.380 2.520 20 10 DFCDMO COc1ccc(O)c(C[N@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000183481307 427279600 /nfs/dbraw/zinc/27/96/00/427279600.db2.gz MNTVLQBAZMAOJE-UHFFFAOYSA-N 1 1 314.385 2.780 20 10 DFCDMO COc1ccc(O)c(C[N@@H+](C)CC(=O)Nc2ccc(C)cc2)c1 ZINC000183481307 427279607 /nfs/dbraw/zinc/27/96/07/427279607.db2.gz MNTVLQBAZMAOJE-UHFFFAOYSA-N 1 1 314.385 2.780 20 10 DFCDMO O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000271080295 427397209 /nfs/dbraw/zinc/39/72/09/427397209.db2.gz QVFSLNKVGHYJMI-CYBMUJFWSA-N 1 1 322.836 2.784 20 10 DFCDMO COc1c(O)c(C[NH2+]CCSC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278842647 427473600 /nfs/dbraw/zinc/47/36/00/427473600.db2.gz KEPMFTHQEIAMHB-UHFFFAOYSA-N 1 1 314.407 2.930 20 10 DFCDMO CN(C)c1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278347208 427429644 /nfs/dbraw/zinc/42/96/44/427429644.db2.gz HWASIBSDRCNHKC-UHFFFAOYSA-N 1 1 323.238 2.538 20 10 DFCDMO C[C@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325687 427430056 /nfs/dbraw/zinc/43/00/56/427430056.db2.gz GORBUXQHYNWTPT-FZMZJTMJSA-N 1 1 324.396 2.876 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325687 427430062 /nfs/dbraw/zinc/43/00/62/427430062.db2.gz GORBUXQHYNWTPT-FZMZJTMJSA-N 1 1 324.396 2.876 20 10 DFCDMO CC(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000271176664 427431079 /nfs/dbraw/zinc/43/10/79/427431079.db2.gz JRIOBXLRVLUKOA-MRXNPFEDSA-N 1 1 315.461 2.730 20 10 DFCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000271176664 427431083 /nfs/dbraw/zinc/43/10/83/427431083.db2.gz JRIOBXLRVLUKOA-MRXNPFEDSA-N 1 1 315.461 2.730 20 10 DFCDMO CCOC(=O)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000271186563 427438563 /nfs/dbraw/zinc/43/85/63/427438563.db2.gz KGTOANMEBAJNRU-UHFFFAOYSA-N 1 1 312.797 2.710 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000278424616 427439444 /nfs/dbraw/zinc/43/94/44/427439444.db2.gz SENXBLARTHWQAA-UKRRQHHQSA-N 1 1 316.367 2.888 20 10 DFCDMO COc1c(O)c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)ccc1[N+](=O)[O-] ZINC000278507270 427443314 /nfs/dbraw/zinc/44/33/14/427443314.db2.gz PBRWTZUSPOADFP-LBPRGKRZSA-N 1 1 324.377 2.745 20 10 DFCDMO Cc1cc(C[N@H+]2CCC[C@H](Cn3ccnn3)C2)ccc1N(C)C ZINC000293920608 427492096 /nfs/dbraw/zinc/49/20/96/427492096.db2.gz XUUIROHOKCLDMJ-KRWDZBQOSA-N 1 1 313.449 2.565 20 10 DFCDMO C[C@@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1O ZINC000185251501 427619185 /nfs/dbraw/zinc/61/91/85/427619185.db2.gz GYPHLNSXYIYDOD-CYBMUJFWSA-N 1 1 308.397 2.975 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000271772905 427583890 /nfs/dbraw/zinc/58/38/90/427583890.db2.gz GQYKAHXPKGFVCZ-JKSUJKDBSA-N 1 1 317.385 2.618 20 10 DFCDMO Cc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1O ZINC000271772905 427583897 /nfs/dbraw/zinc/58/38/97/427583897.db2.gz GQYKAHXPKGFVCZ-JKSUJKDBSA-N 1 1 317.385 2.618 20 10 DFCDMO C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000271806180 427584958 /nfs/dbraw/zinc/58/49/58/427584958.db2.gz AYEKBNLZDKRGQU-UHFFFAOYSA-N 1 1 311.223 2.506 20 10 DFCDMO C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2[O-])CC1 ZINC000271806180 427584962 /nfs/dbraw/zinc/58/49/62/427584962.db2.gz AYEKBNLZDKRGQU-UHFFFAOYSA-N 1 1 311.223 2.506 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](NC(=O)C(C)(C)C)C2)c1 ZINC000271759342 427585713 /nfs/dbraw/zinc/58/57/13/427585713.db2.gz YDEZIQXIYPYUMO-AWEZNQCLSA-N 1 1 320.433 2.528 20 10 DFCDMO Cc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000271715979 427586902 /nfs/dbraw/zinc/58/69/02/427586902.db2.gz IHVVFCKWLUVUKS-UHFFFAOYSA-N 1 1 310.397 2.964 20 10 DFCDMO COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185096667 427593928 /nfs/dbraw/zinc/59/39/28/427593928.db2.gz IBDKNLMZWBPUHO-ZBEGNZNMSA-N 1 1 305.349 2.924 20 10 DFCDMO C[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1O)C(=O)NC(C)(C)C ZINC000294269080 427606365 /nfs/dbraw/zinc/60/63/65/427606365.db2.gz OJEPTOCCCPYCCH-MRVPVSSYSA-N 1 1 302.777 2.578 20 10 DFCDMO CCOC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000294792412 427662049 /nfs/dbraw/zinc/66/20/49/427662049.db2.gz VHIHNDWNEHQZCR-JTQLQIEISA-N 1 1 316.760 2.505 20 10 DFCDMO C[C@@H]([NH2+]CCCOCCO)c1cc(Cl)c(Cl)cc1O ZINC000193275613 427680570 /nfs/dbraw/zinc/68/05/70/427680570.db2.gz UBUIQYNNWZXPOK-SECBINFHSA-N 1 1 308.205 2.749 20 10 DFCDMO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Cl)c(Cl)cc1O ZINC000193353457 427687281 /nfs/dbraw/zinc/68/72/81/427687281.db2.gz RRXRRBKZHMFRNA-SFYZADRCSA-N 1 1 305.205 2.826 20 10 DFCDMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298723255 427687227 /nfs/dbraw/zinc/68/72/27/427687227.db2.gz LVWMWOAZYBZHGJ-IBGZPJMESA-N 1 1 320.477 2.751 20 10 DFCDMO C=Cn1cc(C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000193605492 427698806 /nfs/dbraw/zinc/69/88/06/427698806.db2.gz RLIOTGFCLVHGND-QGZVFWFLSA-N 1 1 313.401 2.870 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCO[C@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615279 427713514 /nfs/dbraw/zinc/71/35/14/427713514.db2.gz GCPPEIVLPKDBEG-KBXCAEBGSA-N 1 1 321.417 2.561 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)CC2(CCOCC2)O1 ZINC000279684992 427714818 /nfs/dbraw/zinc/71/48/18/427714818.db2.gz FQQQAZNGPBHJQE-OAHLLOKOSA-N 1 1 304.434 2.523 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000279717116 427716338 /nfs/dbraw/zinc/71/63/38/427716338.db2.gz UDFKIQSHPRNRJK-WBMJQRKESA-N 1 1 311.809 2.734 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@@]2(CCOC2)O1 ZINC000369545194 427995536 /nfs/dbraw/zinc/99/55/36/427995536.db2.gz DOEBFDFEHZWQOP-GOEBONIOSA-N 1 1 311.809 2.816 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@@H](C(=O)OC)C3(CCC3)C2)c1O ZINC000369650615 428025431 /nfs/dbraw/zinc/02/54/31/428025431.db2.gz VLPGUJKSQYMADH-AWEZNQCLSA-N 1 1 319.401 2.566 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@H](n3cccn3)C2)c1O ZINC000370175156 428152413 /nfs/dbraw/zinc/15/24/13/428152413.db2.gz LGVGZPGTHNSWPI-HNNXBMFYSA-N 1 1 317.364 2.768 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H](n3cccn3)C2)c1O ZINC000370175156 428152418 /nfs/dbraw/zinc/15/24/18/428152418.db2.gz LGVGZPGTHNSWPI-HNNXBMFYSA-N 1 1 317.364 2.768 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1 ZINC000370223761 428162984 /nfs/dbraw/zinc/16/29/84/428162984.db2.gz DZSHOUUPSJTXQY-AEFFLSMTSA-N 1 1 315.417 2.824 20 10 DFCDMO Nc1nccc([C@@H]2CCC[N@@H+](Cc3c(O)cccc3Cl)C2)n1 ZINC000377691099 428196575 /nfs/dbraw/zinc/19/65/75/428196575.db2.gz HGLUFBYUYQPGHN-LLVKDONJSA-N 1 1 318.808 2.797 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC23CCC(CO)CC3)c1O ZINC000371476245 428393288 /nfs/dbraw/zinc/39/32/88/428393288.db2.gz AVAQYCQNURVXHH-UHFFFAOYSA-N 1 1 305.418 2.918 20 10 DFCDMO CCc1nc([C@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)no1 ZINC000361055788 428531518 /nfs/dbraw/zinc/53/15/18/428531518.db2.gz XFNNWPSZFURYLT-NSHDSACASA-N 1 1 305.353 2.856 20 10 DFCDMO O=C([C@@H]1CCCC[N@H+]1Cc1cccc(F)c1O)N1CCCC1 ZINC000361050953 428531645 /nfs/dbraw/zinc/53/16/45/428531645.db2.gz IOUDYSHLQAGUJI-HNNXBMFYSA-N 1 1 306.381 2.508 20 10 DFCDMO O=C([C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1O)N1CCCC1 ZINC000361050953 428531656 /nfs/dbraw/zinc/53/16/56/428531656.db2.gz IOUDYSHLQAGUJI-HNNXBMFYSA-N 1 1 306.381 2.508 20 10 DFCDMO CCCOc1ccc(C[N@@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000373489106 428591572 /nfs/dbraw/zinc/59/15/72/428591572.db2.gz IUKJJQOETAOPIO-KRWDZBQOSA-N 1 1 323.433 2.807 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCO[C@H](COC(C)C)C2)c(O)c1 ZINC000373489106 428591576 /nfs/dbraw/zinc/59/15/76/428591576.db2.gz IUKJJQOETAOPIO-KRWDZBQOSA-N 1 1 323.433 2.807 20 10 DFCDMO CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000361100806 428536163 /nfs/dbraw/zinc/53/61/63/428536163.db2.gz AKMKADMGOKDMSZ-HNNXBMFYSA-N 1 1 315.461 2.707 20 10 DFCDMO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 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CCCN(CCC)c1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000157191720 521650743 /nfs/dbraw/zinc/65/07/43/521650743.db2.gz GBYRXNHFGKETBA-INIZCTEOSA-N 1 1 303.450 2.620 20 10 DFCDMO CCN1CC[C@@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713851 /nfs/dbraw/zinc/71/38/51/521713851.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 1 1 322.449 2.572 20 10 DFCDMO CCN1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415537 521713853 /nfs/dbraw/zinc/71/38/53/521713853.db2.gz KKDYNTZKCGQQNL-UKRRQHHQSA-N 1 1 322.449 2.572 20 10 DFCDMO COC[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@H](C)O1 ZINC000190212271 522868495 /nfs/dbraw/zinc/86/84/95/522868495.db2.gz CQBLTNRTPCEAJE-DZGCQCFKSA-N 1 1 301.386 2.781 20 10 DFCDMO Cc1cccc(C[N@H+]2CCCN(c3nccs3)CC2)c1O ZINC000179849372 524394273 /nfs/dbraw/zinc/39/42/73/524394273.db2.gz ONQCJFFCKNVRLZ-UHFFFAOYSA-N 1 1 303.431 2.869 20 10 DFCDMO COc1ccccc1C[N@@H+](CCO)Cc1cc(F)ccc1O ZINC000179940045 524440764 /nfs/dbraw/zinc/44/07/64/524440764.db2.gz 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CCN(C)c1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183862856 427354612 /nfs/dbraw/zinc/35/46/12/427354612.db2.gz RGZXOOCXKFPTLA-AWEZNQCLSA-N 1 1 313.449 2.921 20 10 DFCDMO CCC[C@@]1(CO)CCC[N@H+]1Cc1cc(OC)c(OC)cc1O ZINC000278779720 427448931 /nfs/dbraw/zinc/44/89/31/427448931.db2.gz VKJJSQXRZXPJDI-KRWDZBQOSA-N 1 1 309.406 2.536 20 10 DFCDMO C[C@@H](CN1CCOCC1)[N@@H+](C)Cc1c(O)ccc2ccccc21 ZINC000278727170 427450116 /nfs/dbraw/zinc/45/01/16/427450116.db2.gz LDBKNSQQENXAPH-HNNXBMFYSA-N 1 1 314.429 2.698 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCC[C@H]2c2ccc[nH]2)ccc1[N+](=O)[O-] ZINC000278294600 427427555 /nfs/dbraw/zinc/42/75/55/427427555.db2.gz VHTLANIZLRKCQF-ZDUSSCGKSA-N 1 1 317.345 2.974 20 10 DFCDMO CC(=O)N1CCN(c2ccc(CNc3cccc(C)[nH+]3)cc2)CC1 ZINC000191859137 427435832 /nfs/dbraw/zinc/43/58/32/427435832.db2.gz ODUDLDQCJIWHLK-UHFFFAOYSA-N 1 1 324.428 2.671 20 10 DFCDMO CC(=O)N1CCN(c2ccc(CNc3cc(C)cc[nH+]3)cc2)CC1 ZINC000191858294 427435881 /nfs/dbraw/zinc/43/58/81/427435881.db2.gz IRTXUYULKNELDC-UHFFFAOYSA-N 1 1 324.428 2.671 20 10 DFCDMO COc1c(O)c(C[NH2+]CCOC2CCCCC2)ccc1[N+](=O)[O-] ZINC000278880361 427487564 /nfs/dbraw/zinc/48/75/64/427487564.db2.gz NYYNWKWOCGARPC-UHFFFAOYSA-N 1 1 324.377 2.748 20 10 DFCDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029191 427526083 /nfs/dbraw/zinc/52/60/83/427526083.db2.gz HXVHAIKWESBVEA-FCEWJHQRSA-N 1 1 318.461 2.829 20 10 DFCDMO Cc1cc(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)ccc1N(C)C ZINC000294029194 427526608 /nfs/dbraw/zinc/52/66/08/427526608.db2.gz HXVHAIKWESBVEA-FRQCXROJSA-N 1 1 318.461 2.829 20 10 DFCDMO COc1ccc([C@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000184948332 427566063 /nfs/dbraw/zinc/56/60/63/427566063.db2.gz DMWVBJPENMKISA-APPDUMDISA-N 1 1 305.349 2.924 20 10 DFCDMO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192617080 427574862 /nfs/dbraw/zinc/57/48/62/427574862.db2.gz PGXBBTKIJLUDCW-QMMMGPOBSA-N 1 1 305.205 2.874 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000271717400 427584622 /nfs/dbraw/zinc/58/46/22/427584622.db2.gz IYMFFHDQHSGLQU-GFCCVEGCSA-N 1 1 317.389 2.512 20 10 DFCDMO Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CO)C2)c1O ZINC000271779475 427586771 /nfs/dbraw/zinc/58/67/71/427586771.db2.gz GMTUXXCAPDLQHQ-NSHDSACASA-N 1 1 314.223 2.667 20 10 DFCDMO CC[N@@H+](CCCO)Cc1cc(Br)cc(C)c1O ZINC000271792194 427586952 /nfs/dbraw/zinc/58/69/52/427586952.db2.gz JMGVYEPGWWPVQN-UHFFFAOYSA-N 1 1 302.212 2.667 20 10 DFCDMO COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cc1O ZINC000185097636 427597045 /nfs/dbraw/zinc/59/70/45/427597045.db2.gz IBDKNLMZWBPUHO-BZNIZROVSA-N 1 1 305.349 2.924 20 10 DFCDMO C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1ccc(F)cc1O ZINC000185127688 427599147 /nfs/dbraw/zinc/59/91/47/427599147.db2.gz PPDRIPFCBIIMLT-RISCZKNCSA-N 1 1 323.339 2.761 20 10 DFCDMO COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193063345 427656919 /nfs/dbraw/zinc/65/69/19/427656919.db2.gz CSXNEDIRFLDMFQ-BDAKNGLRSA-N 1 1 308.205 2.747 20 10 DFCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C[C@H]3CCOC3)CC2)c1 ZINC000185491723 427660241 /nfs/dbraw/zinc/66/02/41/427660241.db2.gz KCEBZYXOMNXVRF-JKSUJKDBSA-N 1 1 318.461 2.852 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1O ZINC000185579681 427673954 /nfs/dbraw/zinc/67/39/54/427673954.db2.gz QIIHTMMXEPDSEU-CQSZACIVSA-N 1 1 321.417 2.955 20 10 DFCDMO COc1ccccc1N1CC[NH+](Cc2cccc(F)c2O)CC1 ZINC000272241868 427684036 /nfs/dbraw/zinc/68/40/36/427684036.db2.gz GQTUGTBBQLBPEV-UHFFFAOYSA-N 1 1 316.376 2.862 20 10 DFCDMO CCc1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000185683441 427690657 /nfs/dbraw/zinc/69/06/57/427690657.db2.gz NMXNKSNTFBDKNC-GWCFXTLKSA-N 1 1 304.369 2.871 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1O ZINC000185812819 427712374 /nfs/dbraw/zinc/71/23/74/427712374.db2.gz XWLVSPJZHMMGGD-BLLLJJGKSA-N 1 1 314.360 2.987 20 10 DFCDMO CC[C@H]([NH2+][C@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1O ZINC000279996337 427726798 /nfs/dbraw/zinc/72/67/98/427726798.db2.gz FRMJFCOVCQBCOB-AEFFLSMTSA-N 1 1 319.493 2.767 20 10 DFCDMO CC[C@@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1O ZINC000279996341 427726834 /nfs/dbraw/zinc/72/68/34/427726834.db2.gz FRMJFCOVCQBCOB-FUHWJXTLSA-N 1 1 319.493 2.767 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369720220 428044828 /nfs/dbraw/zinc/04/48/28/428044828.db2.gz GACKOGIDFSZUGK-UHFFFAOYSA-N 1 1 304.434 2.709 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2C[C@H]3[C@@H](C[NH+]4CCCC[C@@H]34)C2)c1 ZINC000369876546 428081375 /nfs/dbraw/zinc/08/13/75/428081375.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH+]2C[C@H]3[C@H](C2)C[N@@H+]2CCCC[C@@H]32)c1 ZINC000369876546 428081383 /nfs/dbraw/zinc/08/13/83/428081383.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369876546 428081389 /nfs/dbraw/zinc/08/13/89/428081389.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000369876546 428081397 /nfs/dbraw/zinc/08/13/97/428081397.db2.gz ATDXGUIIEBUSEL-USJZOSNVSA-N 1 1 316.445 2.878 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000369879105 428081709 /nfs/dbraw/zinc/08/17/09/428081709.db2.gz XCUIXCQLWAEMAZ-DOTOQJQBSA-N 1 1 309.381 2.691 20 10 DFCDMO CCOC(=O)[C@@H]1CCCCC[N@H+]1Cc1cccc(OC)c1O ZINC000371398995 428389415 /nfs/dbraw/zinc/38/94/15/428389415.db2.gz VDRCMINYJVFQIU-AWEZNQCLSA-N 1 1 307.390 2.709 20 10 DFCDMO CCCOc1ccc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c(O)c1 ZINC000371552905 428395628 /nfs/dbraw/zinc/39/56/28/428395628.db2.gz KCJCVVPUNCQYSW-WMLDXEAASA-N 1 1 304.434 2.707 20 10 DFCDMO CCCOc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC000371552905 428395633 /nfs/dbraw/zinc/39/56/33/428395633.db2.gz KCJCVVPUNCQYSW-WMLDXEAASA-N 1 1 304.434 2.707 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC000371552905 428395639 /nfs/dbraw/zinc/39/56/39/428395639.db2.gz KCJCVVPUNCQYSW-WMLDXEAASA-N 1 1 304.434 2.707 20 10 DFCDMO Oc1cc2c(cc1C[N@@H+]1CC[C@H](O)c3ccccc3C1)OCO2 ZINC000371877514 428406591 /nfs/dbraw/zinc/40/65/91/428406591.db2.gz WVPANIIMWCAOAU-HNNXBMFYSA-N 1 1 313.353 2.560 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)c1ccc(F)cc1O ZINC000371835249 428407074 /nfs/dbraw/zinc/40/70/74/428407074.db2.gz RRDKOGVDJBKSMA-IAOVAPTHSA-N 1 1 322.424 2.825 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597433 428470889 /nfs/dbraw/zinc/47/08/89/428470889.db2.gz ZFQTYWPMCZJWSJ-KBPBESRZSA-N 1 1 301.390 2.995 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3cccnc3C)C2)c1 ZINC000372814830 428503890 /nfs/dbraw/zinc/50/38/90/428503890.db2.gz LHNVQYDQRUFHJT-MRXNPFEDSA-N 1 1 314.385 2.758 20 10 DFCDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000373112601 428519024 /nfs/dbraw/zinc/51/90/24/428519024.db2.gz MRZUVMBOUSMYPK-IJEWVQPXSA-N 1 1 322.424 2.605 20 10 DFCDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccc(F)c2O)C[C@H](C)O1 ZINC000373112601 428519027 /nfs/dbraw/zinc/51/90/27/428519027.db2.gz MRZUVMBOUSMYPK-IJEWVQPXSA-N 1 1 322.424 2.605 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCC[C@H](n3cccn3)C2)c1 ZINC000372597434 428471041 /nfs/dbraw/zinc/47/10/41/428471041.db2.gz ZFQTYWPMCZJWSJ-KGLIPLIRSA-N 1 1 301.390 2.995 20 10 DFCDMO COc1cc(O)c(C[NH2+]C2CC(N3CCCCC3)C2)cc1OC ZINC000373463673 428584117 /nfs/dbraw/zinc/58/41/17/428584117.db2.gz AMGZECDQQIOIFU-UHFFFAOYSA-N 1 1 320.433 2.516 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)O[C@@]3(CCOC3)C2)c1 ZINC000373484354 428589298 /nfs/dbraw/zinc/58/92/98/428589298.db2.gz XLDISHDFOGNBEB-QAPCUYQASA-N 1 1 321.417 2.561 20 10 DFCDMO COc1ccc(N2CCC([NH2+][C@H](C)CCN(C)C)CC2)cc1 ZINC000361245992 428551054 /nfs/dbraw/zinc/55/10/54/428551054.db2.gz KPWRKUZHVKBGTP-OAHLLOKOSA-N 1 1 305.466 2.594 20 10 DFCDMO CC1(C)C[N@H+](Cc2cccc(F)c2O)C[C@@]2(CCCOC2)O1 ZINC000373602857 428615938 /nfs/dbraw/zinc/61/59/38/428615938.db2.gz GVLOHRSGMZGRNR-QGZVFWFLSA-N 1 1 309.381 2.691 20 10 DFCDMO CC1(C)C[N@@H+](Cc2cccc(F)c2O)C[C@@]2(CCCOC2)O1 ZINC000373602857 428615943 /nfs/dbraw/zinc/61/59/43/428615943.db2.gz GVLOHRSGMZGRNR-QGZVFWFLSA-N 1 1 309.381 2.691 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1O ZINC000373638014 428625274 /nfs/dbraw/zinc/62/52/74/428625274.db2.gz LUMSXLRAUXZKGJ-KSSFIOAISA-N 1 1 321.417 2.561 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCCN(C(=O)C(C)(C)C)CC2)c1 ZINC000362351458 428715177 /nfs/dbraw/zinc/71/51/77/428715177.db2.gz JVSRUCQFRFDQGN-UHFFFAOYSA-N 1 1 304.434 2.781 20 10 DFCDMO CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789397 428753966 /nfs/dbraw/zinc/75/39/66/428753966.db2.gz VIZNELWVDOPZFO-CABCVRRESA-N 1 1 315.461 2.755 20 10 DFCDMO CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789397 428753973 /nfs/dbraw/zinc/75/39/73/428753973.db2.gz VIZNELWVDOPZFO-CABCVRRESA-N 1 1 315.461 2.755 20 10 DFCDMO C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)c1ccc(F)cc1O ZINC000363869392 429132421 /nfs/dbraw/zinc/13/24/21/429132421.db2.gz USFPYKDOUZGMQU-LBPRGKRZSA-N 1 1 312.348 2.963 20 10 DFCDMO COC(=O)[C@]12CCC[C@@H]1C[N@H+]([C@H](C)c1cc(OC)ccc1O)C2 ZINC000364630385 429239082 /nfs/dbraw/zinc/23/90/82/429239082.db2.gz HCLGRXWFIGSECV-VFVRVIDISA-N 1 1 319.401 2.737 20 10 DFCDMO COc1ccc(N2CCC([N@@H+](C)C[C@@H]3CCCO3)CC2)cc1 ZINC000365711575 429361825 /nfs/dbraw/zinc/36/18/25/429361825.db2.gz GJMYTGPIKVKMGC-SFHVURJKSA-N 1 1 304.434 2.775 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@]3(CCCCO3)C2)cc1OC ZINC000365737390 429366284 /nfs/dbraw/zinc/36/62/84/429366284.db2.gz PMZIDRCERIGJQF-SFHVURJKSA-N 1 1 321.417 2.945 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3CCOC[C@H]32)cc1 ZINC000366488452 429461819 /nfs/dbraw/zinc/46/18/19/429461819.db2.gz JAPNIFMIXVADDG-MSOLQXFVSA-N 1 1 304.434 2.523 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]3CCOC[C@H]32)cc1 ZINC000366488452 429461823 /nfs/dbraw/zinc/46/18/23/429461823.db2.gz JAPNIFMIXVADDG-MSOLQXFVSA-N 1 1 304.434 2.523 20 10 DFCDMO C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]2(CCCOC2)O1 ZINC000366487146 429461847 /nfs/dbraw/zinc/46/18/47/429461847.db2.gz MQKQDUOGZBYAQV-KSSFIOAISA-N 1 1 322.424 2.662 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@]2(CCCOC2)O1 ZINC000366487146 429461848 /nfs/dbraw/zinc/46/18/48/429461848.db2.gz MQKQDUOGZBYAQV-KSSFIOAISA-N 1 1 322.424 2.662 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H]3C(=O)N(C)C[C@H]32)cc1 ZINC000284600337 276341451 /nfs/dbraw/zinc/34/14/51/276341451.db2.gz KXMIDBCIPXORSN-QZTJIDSGSA-N 1 1 315.461 2.585 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c1 ZINC000280584357 276375054 /nfs/dbraw/zinc/37/50/54/276375054.db2.gz WYUZXUPALRHGNC-PMUMKWKESA-N 1 1 321.417 2.559 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000368352830 429836543 /nfs/dbraw/zinc/83/65/43/429836543.db2.gz XTNATAXUUMZKLE-RBUKOAKNSA-N 1 1 316.445 2.667 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@@H]2CCOC[C@@H]21 ZINC000368352830 429836546 /nfs/dbraw/zinc/83/65/46/429836546.db2.gz XTNATAXUUMZKLE-RBUKOAKNSA-N 1 1 316.445 2.667 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000368567944 429868167 /nfs/dbraw/zinc/86/81/67/429868167.db2.gz OWABUBYLMCCSJG-DUVNUKRYSA-N 1 1 319.401 2.532 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCOC[C@@H]2[C@@H]2CCCC2=O)c1 ZINC000368567944 429868170 /nfs/dbraw/zinc/86/81/70/429868170.db2.gz OWABUBYLMCCSJG-DUVNUKRYSA-N 1 1 319.401 2.532 20 10 DFCDMO COc1c(O)c(C[NH+]2CCC(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000368637547 429881692 /nfs/dbraw/zinc/88/16/92/429881692.db2.gz KTSJJLILQDNQCR-UHFFFAOYSA-N 1 1 306.362 2.931 20 10 DFCDMO C[N@@H+](Cc1ccccc1O)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528420603 429886855 /nfs/dbraw/zinc/88/68/55/429886855.db2.gz WUHRHQVESUDZEN-INIZCTEOSA-N 1 1 302.418 2.758 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC2(CCOCC2)O1 ZINC000369128840 429914719 /nfs/dbraw/zinc/91/47/19/429914719.db2.gz YOINOWBUDWULBS-GFCCVEGCSA-N 1 1 311.809 2.816 20 10 DFCDMO 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20 10 DFCDMO Oc1ccccc1C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000179558266 426802906 /nfs/dbraw/zinc/80/29/06/426802906.db2.gz DQMOCZLRBFMBHI-HNNXBMFYSA-N 1 1 308.385 2.815 20 10 DFCDMO CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179566332 426803193 /nfs/dbraw/zinc/80/31/93/426803193.db2.gz NLZILSDNSNUWEY-GDBMZVCRSA-N 1 1 304.434 2.909 20 10 DFCDMO CCCC[N@@H+](Cc1cc(=O)c(O)co1)Cc1ccccc1O ZINC000282450441 426914929 /nfs/dbraw/zinc/91/49/29/426914929.db2.gz LUIRBGYOARDGBR-UHFFFAOYSA-N 1 1 303.358 2.853 20 10 DFCDMO C[C@@H]([NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O)C(=O)NCCF ZINC000282461733 426914953 /nfs/dbraw/zinc/91/49/53/426914953.db2.gz FYZSPHAVFOEEJA-HTQZYQBOSA-N 1 1 323.195 2.824 20 10 DFCDMO CCCC[N@@H+](CCn1cc([N+](=O)[O-])cn1)Cc1ccccc1O ZINC000282537154 426919238 /nfs/dbraw/zinc/91/92/38/426919238.db2.gz VQCJHEUAEQFZQV-UHFFFAOYSA-N 1 1 318.377 2.799 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC[C@](CO)(c3ccccc3)C2)c1 ZINC000291319678 426882664 /nfs/dbraw/zinc/88/26/64/426882664.db2.gz 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/nfs/dbraw/zinc/20/54/44/427205444.db2.gz BWEUDMOGLDOPHA-SFHVURJKSA-N 1 1 323.408 2.964 20 10 DFCDMO COc1ccc(N2CC[NH+](CCc3cscn3)CC2)cc1F ZINC000296791581 427235155 /nfs/dbraw/zinc/23/51/55/427235155.db2.gz OEEGXHKJTXQDTI-UHFFFAOYSA-N 1 1 321.421 2.656 20 10 DFCDMO Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2O)c1 ZINC000269647610 427240506 /nfs/dbraw/zinc/24/05/06/427240506.db2.gz PTIBGGFEWQJTQD-KRWDZBQOSA-N 1 1 315.413 2.881 20 10 DFCDMO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293624543 427384052 /nfs/dbraw/zinc/38/40/52/427384052.db2.gz MTQRXXGUQUNIOP-RKDXNWHRSA-N 1 1 302.777 2.578 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]([C@H](C)C(=O)OC)C2CCC2)c1 ZINC000191649400 427398229 /nfs/dbraw/zinc/39/82/29/427398229.db2.gz RKZFEBOPHGYRNW-GFCCVEGCSA-N 1 1 307.390 2.707 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]([C@H](C)C(=O)OC)C2CCC2)c1 ZINC000191649400 427398233 /nfs/dbraw/zinc/39/82/33/427398233.db2.gz RKZFEBOPHGYRNW-GFCCVEGCSA-N 1 1 307.390 2.707 20 10 DFCDMO CCOC(=O)[C@H](CC)[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000191658685 427402382 /nfs/dbraw/zinc/40/23/82/427402382.db2.gz YGFHNQLDJZELAW-AWEZNQCLSA-N 1 1 307.390 2.707 20 10 DFCDMO CCOC(=O)[C@H](CC)[N@@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000191658685 427402391 /nfs/dbraw/zinc/40/23/91/427402391.db2.gz YGFHNQLDJZELAW-AWEZNQCLSA-N 1 1 307.390 2.707 20 10 DFCDMO CCN(C)C(=O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278837339 427470810 /nfs/dbraw/zinc/47/08/10/427470810.db2.gz UOLKSEGPUKJLMA-QMMMGPOBSA-N 1 1 305.205 2.828 20 10 DFCDMO C[N@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H]1CCSC1 ZINC000278408086 427434192 /nfs/dbraw/zinc/43/41/92/427434192.db2.gz GRNMMYSNPUAZRV-MRXNPFEDSA-N 1 1 306.475 2.708 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000271182614 427435654 /nfs/dbraw/zinc/43/56/54/427435654.db2.gz YAHFFYAEMQZSBH-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1 ZINC000271182614 427435661 /nfs/dbraw/zinc/43/56/61/427435661.db2.gz 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306.450 2.888 20 10 DFCDMO COC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C)c2O)C1 ZINC000377679470 337058221 /nfs/dbraw/zinc/05/82/21/337058221.db2.gz LXMHNYJEYCWGPG-AWEZNQCLSA-N 1 1 317.307 2.628 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCN(C)[C@@H](c2nccn2C)C1 ZINC000377704623 337059147 /nfs/dbraw/zinc/05/91/47/337059147.db2.gz RSMBWYPLLYZATI-JKSUJKDBSA-N 1 1 314.433 2.566 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1O ZINC000377857734 337062791 /nfs/dbraw/zinc/06/27/91/337062791.db2.gz UIEUPMQXODDEDP-CQSZACIVSA-N 1 1 315.417 2.682 20 10 DFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@](CO)(C(C)C)C2)c1O ZINC000378127994 337066855 /nfs/dbraw/zinc/06/68/55/337066855.db2.gz HHVOAQVWQNSIDN-MRXNPFEDSA-N 1 1 313.825 2.895 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2O)C[C@@H]1N1CCOCC1 ZINC000378340891 337070317 /nfs/dbraw/zinc/07/03/17/337070317.db2.gz IXQPJAHJJQVUGG-WMZOPIPTSA-N 1 1 318.461 2.552 20 10 DFCDMO CC1(C)C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCCO1 ZINC000378344744 337070372 /nfs/dbraw/zinc/07/03/72/337070372.db2.gz CFLRVYONFMPWQL-UHFFFAOYSA-N 1 1 304.434 2.524 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2C)c1 ZINC000378441794 337072718 /nfs/dbraw/zinc/07/27/18/337072718.db2.gz IBDCYTIKMJBBRP-INIZCTEOSA-N 1 1 301.390 2.780 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000378442460 337072796 /nfs/dbraw/zinc/07/27/96/337072796.db2.gz NVOZVXNFAWRUHH-IRXDYDNUSA-N 1 1 315.417 2.522 20 10 DFCDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1O ZINC000378490939 337074112 /nfs/dbraw/zinc/07/41/12/337074112.db2.gz FDAGCRUWHUGTOY-HOTGVXAUSA-N 1 1 306.381 2.507 20 10 DFCDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1cccc(F)c1O ZINC000378490939 337074113 /nfs/dbraw/zinc/07/41/13/337074113.db2.gz FDAGCRUWHUGTOY-HOTGVXAUSA-N 1 1 306.381 2.507 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)c(O)c1 ZINC000194261482 337089473 /nfs/dbraw/zinc/08/94/73/337089473.db2.gz YRYLGKBHLHLTQB-AEFFLSMTSA-N 1 1 319.493 2.623 20 10 DFCDMO O=C(c1cccs1)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179574861 337170212 /nfs/dbraw/zinc/17/02/12/337170212.db2.gz PIVCUOPNTFLSNQ-UHFFFAOYSA-N 1 1 316.426 2.802 20 10 DFCDMO C[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000179565837 337170241 /nfs/dbraw/zinc/17/02/41/337170241.db2.gz LAFWYLLOLGVYRS-MRXNPFEDSA-N 1 1 311.429 2.902 20 10 DFCDMO COc1cc(Cl)cc(CN2CCC[N@H+](C3CC3)CC2)c1O ZINC000184685094 337199942 /nfs/dbraw/zinc/19/99/42/337199942.db2.gz JCHNMYXMLSQQTK-UHFFFAOYSA-N 1 1 310.825 2.724 20 10 DFCDMO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nnc2n1CCCC2 ZINC000185586393 337249302 /nfs/dbraw/zinc/24/93/02/337249302.db2.gz FDLIGPSMTVMHRK-QWRGUYRKSA-N 1 1 304.369 2.871 20 10 DFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1Cc2ccccc2[C@H]1O ZINC000191086234 337293663 /nfs/dbraw/zinc/29/36/63/337293663.db2.gz ZFBUDFLKNVWLKO-XJKSGUPXSA-N 1 1 307.752 2.933 20 10 DFCDMO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(Br)c1O ZINC000527783829 337763889 /nfs/dbraw/zinc/76/38/89/337763889.db2.gz WPUXHQCCTQGNQS-YPMHNXCESA-N 1 1 300.196 2.812 20 10 DFCDMO CN(C)c1ccc(C[NH2+]Cc2ncccc2N(C)C)cc1F ZINC000289855360 500767472 /nfs/dbraw/zinc/76/74/72/500767472.db2.gz PZMAZSYGMPNBPI-UHFFFAOYSA-N 1 1 302.397 2.643 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H](C)O)c1O ZINC000267393833 518277702 /nfs/dbraw/zinc/27/77/02/518277702.db2.gz PKBVSDYEJJIZDM-IAQYHMDHSA-N 1 1 311.809 2.984 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)CCc2noc(C)n2)c1O ZINC000267431508 518278273 /nfs/dbraw/zinc/27/82/73/518278273.db2.gz YSIDSWAJLFKRCV-UHFFFAOYSA-N 1 1 323.780 2.614 20 10 DFCDMO CC(C)[N@@H+](CCc1cnn(C)c1)Cc1ccc(N(C)C)cc1 ZINC000265903523 519650789 /nfs/dbraw/zinc/65/07/89/519650789.db2.gz IMRJMEQDURWIEO-UHFFFAOYSA-N 1 1 300.450 2.939 20 10 DFCDMO CC[N@@H+](CCCCO)Cc1cc(Br)ccc1O ZINC000266561188 521004001 /nfs/dbraw/zinc/00/40/01/521004001.db2.gz NAPZXYKYSFYARU-UHFFFAOYSA-N 1 1 302.212 2.749 20 10 DFCDMO CCc1nc([C@H]2CCC[N@@H+](Cc3cc(OC)ccc3O)C2)no1 ZINC000367748577 522461981 /nfs/dbraw/zinc/46/19/81/522461981.db2.gz JFONGYSUSWPDAJ-LBPRGKRZSA-N 1 1 317.389 2.726 20 10 DFCDMO COC(=O)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(C)c2O)C[C@H]1C ZINC000188101480 523962489 /nfs/dbraw/zinc/96/24/89/523962489.db2.gz DAKRWXYYWJLGJM-RISCZKNCSA-N 1 1 311.809 2.985 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000179986980 524747586 /nfs/dbraw/zinc/74/75/86/524747586.db2.gz FQNDTESRJHYGHL-AWEZNQCLSA-N 1 1 313.401 2.730 20 10 DFCDMO COc1cccc(C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000179963078 525950400 /nfs/dbraw/zinc/95/04/00/525950400.db2.gz ALWRNFJZCMPIFV-CYBMUJFWSA-N 1 1 307.390 2.564 20 10 DFCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3cc(C)ccc3O)CC2)cc1 ZINC000181414766 526113618 /nfs/dbraw/zinc/11/36/18/526113618.db2.gz SPKODFAPJLHLAL-UHFFFAOYSA-N 1 1 324.424 2.967 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@H]2O)c1 ZINC000273588502 536792881 /nfs/dbraw/zinc/79/28/81/536792881.db2.gz OPBRLWLARVELMY-BJOOFOGMSA-N 1 1 321.417 2.771 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cc1OC ZINC000272390431 536855974 /nfs/dbraw/zinc/85/59/74/536855974.db2.gz HBFAPOBDDHYLIT-HIFRSBDPSA-N 1 1 323.433 2.638 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1OC ZINC000272390430 536856670 /nfs/dbraw/zinc/85/66/70/536856670.db2.gz HBFAPOBDDHYLIT-DZGCQCFKSA-N 1 1 323.433 2.638 20 10 DFCDMO C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccccc1O ZINC000736194614 599318787 /nfs/dbraw/zinc/31/87/87/599318787.db2.gz BXHJUQBQDOKPRZ-LBPRGKRZSA-N 1 1 309.373 2.765 20 10 DFCDMO COCCOCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000079396274 185168971 /nfs/dbraw/zinc/16/89/71/185168971.db2.gz UTTARNGFFAVPDT-UHFFFAOYSA-N 1 1 306.450 2.772 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000092482972 185321294 /nfs/dbraw/zinc/32/12/94/185321294.db2.gz KYKDJZHMEUMSMW-UHFFFAOYSA-N 1 1 303.431 2.869 20 10 DFCDMO CC(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000092705924 185334780 /nfs/dbraw/zinc/33/47/80/185334780.db2.gz IBOOKTWHAUWQLW-KRWDZBQOSA-N 1 1 317.477 2.737 20 10 DFCDMO CCCC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(OCC)ccc2O)C1 ZINC000092708608 185335355 /nfs/dbraw/zinc/33/53/55/185335355.db2.gz FQTILMRDONFXNK-OAHLLOKOSA-N 1 1 320.433 2.672 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@@H](Cc3noc(C)n3)C2)c1O ZINC000092814129 185343641 /nfs/dbraw/zinc/34/36/41/185343641.db2.gz UYPRXEDGWNURRJ-ZDUSSCGKSA-N 1 1 317.389 2.547 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCCC2=O)cc1 ZINC000093362545 398634707 /nfs/dbraw/zinc/63/47/07/398634707.db2.gz XKIHFDXHGJKWTR-GOSISDBHSA-N 1 1 315.461 2.730 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCc3ccccc3[C@H]2CO)c1O ZINC000093455404 398638030 /nfs/dbraw/zinc/63/80/30/398638030.db2.gz DOUFRSCJMWSDIC-QGZVFWFLSA-N 1 1 313.397 2.883 20 10 DFCDMO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1nnc2n1CCCCC2 ZINC000361051005 398642185 /nfs/dbraw/zinc/64/21/85/398642185.db2.gz JDQDHDBKHSCVDP-NSHDSACASA-N 1 1 304.369 2.700 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1O ZINC000093865925 398647647 /nfs/dbraw/zinc/64/76/47/398647647.db2.gz PBLZRCYISZMWGZ-MRXNPFEDSA-N 1 1 314.385 2.839 20 10 DFCDMO C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(N2CCCCC2)cc1 ZINC000052686760 398849160 /nfs/dbraw/zinc/84/91/60/398849160.db2.gz OBNNNTHVDKQCCY-UHFFFAOYSA-N 1 1 315.461 2.731 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@@H](c3nc(C)no3)C2)c1O ZINC000091832632 193114201 /nfs/dbraw/zinc/11/42/01/193114201.db2.gz CTPQRRNAWHYTIS-CQSZACIVSA-N 1 1 317.389 2.862 20 10 DFCDMO COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1O ZINC000091960742 193132420 /nfs/dbraw/zinc/13/24/20/193132420.db2.gz RAKZWRMIHATPCG-ZFWWWQNUSA-N 1 1 301.390 2.680 20 10 DFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(C)ccc2O)cc1 ZINC000093415721 193246474 /nfs/dbraw/zinc/24/64/74/193246474.db2.gz MBXYWBOFJFCNSN-KRWDZBQOSA-N 1 1 301.386 2.875 20 10 DFCDMO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(F)c1O)C[C@H](C)O2 ZINC000366811528 335019375 /nfs/dbraw/zinc/01/93/75/335019375.db2.gz RAPPCNYAZHFOEM-IGCXYCKISA-N 1 1 309.381 2.690 20 10 DFCDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cccc(F)c1O)C[C@H](C)O2 ZINC000366811528 335019376 /nfs/dbraw/zinc/01/93/76/335019376.db2.gz RAPPCNYAZHFOEM-IGCXYCKISA-N 1 1 309.381 2.690 20 10 DFCDMO C[N@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(F)c1O ZINC000272309003 130019310 /nfs/dbraw/zinc/01/93/10/130019310.db2.gz RGQFVBHKYIGOCW-NRFANRHFSA-N 1 1 307.390 2.901 20 10 DFCDMO C[N@@H+](Cc1ccc([S@](C)=O)cc1)Cc1cccc(F)c1O ZINC000272309003 130019314 /nfs/dbraw/zinc/01/93/14/130019314.db2.gz RGQFVBHKYIGOCW-NRFANRHFSA-N 1 1 307.390 2.901 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccccn2)c1 ZINC000273388799 130116211 /nfs/dbraw/zinc/11/62/11/130116211.db2.gz KECVBEWNBPFTPS-NWDGAFQWSA-N 1 1 300.358 2.986 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCc2ccccn2)c1 ZINC000273486884 130128251 /nfs/dbraw/zinc/12/82/51/130128251.db2.gz NKIFTHBCZYTJIN-CYBMUJFWSA-N 1 1 314.385 2.857 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCCc2nccs2)c1 ZINC000273511724 130131292 /nfs/dbraw/zinc/13/12/92/130131292.db2.gz RVRWLVROMPSPIH-LLVKDONJSA-N 1 1 320.414 2.919 20 10 DFCDMO C[C@H]([NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccc(F)cc1O ZINC000273562311 130137289 /nfs/dbraw/zinc/13/72/89/130137289.db2.gz ILLMYHKZRXYHDT-SCRDCRAPSA-N 1 1 308.397 2.829 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCC(=O)OC(C)(C)C)c1 ZINC000273565228 130137398 /nfs/dbraw/zinc/13/73/98/130137398.db2.gz JEXMNOWOXKCSDN-NSHDSACASA-N 1 1 323.389 2.561 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H](C)c2cn(C)nc2C)c1 ZINC000273607280 130143292 /nfs/dbraw/zinc/14/32/92/130143292.db2.gz UNUMNRHYCVBRSF-WDEREUQCSA-N 1 1 317.389 2.633 20 10 DFCDMO CCCOc1ccc(C[N@@H+](C)CCc2cnccn2)c(O)c1 ZINC000273694630 130154736 /nfs/dbraw/zinc/15/47/36/130154736.db2.gz BXLQWNXOYPRSJH-UHFFFAOYSA-N 1 1 301.390 2.646 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000274301827 130225254 /nfs/dbraw/zinc/22/52/54/130225254.db2.gz QQKACPMHJDIVIU-FABXCBLPSA-N 1 1 319.401 2.787 20 10 DFCDMO Cn1ccnc1[C@H]([NH2+]Cc1cccc(F)c1O)C1CCOCC1 ZINC000284526688 131089072 /nfs/dbraw/zinc/08/90/72/131089072.db2.gz FFWARZNFIJTGTQ-OAHLLOKOSA-N 1 1 319.380 2.522 20 10 DFCDMO CCNC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000284837106 131115180 /nfs/dbraw/zinc/11/51/80/131115180.db2.gz QRXCUSYIKZHTDC-KRWDZBQOSA-N 1 1 303.450 2.633 20 10 DFCDMO CCc1nc(N2CCN(c3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000287163860 131266533 /nfs/dbraw/zinc/26/65/33/131266533.db2.gz YRIROIZAZSXBKB-UHFFFAOYSA-N 1 1 312.417 2.683 20 10 DFCDMO CCN(CCC[NH+]1CCCC1)Cc1cc(OC)c(OC)cc1O ZINC000289403462 131383500 /nfs/dbraw/zinc/38/35/00/131383500.db2.gz GTWAGSMKNSUWKB-UHFFFAOYSA-N 1 1 322.449 2.717 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289529628 131393472 /nfs/dbraw/zinc/39/34/72/131393472.db2.gz HPDNMPWTTFCLKW-ZDUSSCGKSA-N 1 1 307.287 2.811 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000289529628 131393473 /nfs/dbraw/zinc/39/34/73/131393473.db2.gz HPDNMPWTTFCLKW-ZDUSSCGKSA-N 1 1 307.287 2.811 20 10 DFCDMO O=C(NCc1ccccc1O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000299570203 132111697 /nfs/dbraw/zinc/11/16/97/132111697.db2.gz PJKARAZCIBPMQO-KRWDZBQOSA-N 1 1 310.397 2.673 20 10 DFCDMO C[C@H](CN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C[NH+](C)C ZINC000293770167 543021122 /nfs/dbraw/zinc/02/11/22/543021122.db2.gz SOKBRWYDXFAICR-CABCVRRESA-N 1 1 323.456 2.511 20 10 DFCDMO CC[C@H]([NH2+]C1CCN(CCCOC)CC1)c1ccccc1O ZINC000155578497 425921389 /nfs/dbraw/zinc/92/13/89/425921389.db2.gz UJVUKNOOGKVRFB-KRWDZBQOSA-N 1 1 306.450 2.934 20 10 DFCDMO CCCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c(O)c1 ZINC000156009975 425932563 /nfs/dbraw/zinc/93/25/63/425932563.db2.gz KISLASHYKFFHMI-MRXNPFEDSA-N 1 1 304.434 2.851 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](N3CCCC3)C2)c(O)c1 ZINC000156009975 425932565 /nfs/dbraw/zinc/93/25/65/425932565.db2.gz KISLASHYKFFHMI-MRXNPFEDSA-N 1 1 304.434 2.851 20 10 DFCDMO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000168526255 426135274 /nfs/dbraw/zinc/13/52/74/426135274.db2.gz XMDSTXDYEHACSK-KRWDZBQOSA-N 1 1 315.461 2.725 20 10 DFCDMO C[N@H+](Cc1cncs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121297366 426332652 /nfs/dbraw/zinc/33/26/52/426332652.db2.gz GRDMYWCVPKSRCF-UHFFFAOYSA-N 1 1 303.431 2.612 20 10 DFCDMO C[N@@H+](Cc1cncs1)Cc1ccc(N2CCOCC2)cc1 ZINC000121297366 426332655 /nfs/dbraw/zinc/33/26/55/426332655.db2.gz GRDMYWCVPKSRCF-UHFFFAOYSA-N 1 1 303.431 2.612 20 10 DFCDMO C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929458 426403789 /nfs/dbraw/zinc/40/37/89/426403789.db2.gz AGRHSCPALVIEAX-IIDMSEBBSA-N 1 1 301.478 2.887 20 10 DFCDMO C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929458 426403790 /nfs/dbraw/zinc/40/37/90/426403790.db2.gz AGRHSCPALVIEAX-IIDMSEBBSA-N 1 1 301.478 2.887 20 10 DFCDMO Oc1ccc2ccccc2c1C[N@H+]1CCO[C@H](Cn2cccn2)C1 ZINC000152814444 426355263 /nfs/dbraw/zinc/35/52/63/426355263.db2.gz ZKZGLTCCICFPTJ-INIZCTEOSA-N 1 1 323.396 2.643 20 10 DFCDMO CCCOc1ccc(C[N@@H+]2CCC[C@@H]2c2nncn2C)c(O)c1 ZINC000093810226 426357507 /nfs/dbraw/zinc/35/75/07/426357507.db2.gz XOPDIRMZYFFPKY-OAHLLOKOSA-N 1 1 316.405 2.647 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H]2c2nncn2C)c(O)c1 ZINC000093810226 426357511 /nfs/dbraw/zinc/35/75/11/426357511.db2.gz XOPDIRMZYFFPKY-OAHLLOKOSA-N 1 1 316.405 2.647 20 10 DFCDMO CCOc1cccc(C[N@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1O ZINC000093639031 426358267 /nfs/dbraw/zinc/35/82/67/426358267.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 1 1 306.450 2.953 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)[C@@H]2CCN(CC)C[C@H]2C)c1O ZINC000093639031 426358269 /nfs/dbraw/zinc/35/82/69/426358269.db2.gz ZEKGEENYDNRFEN-GDBMZVCRSA-N 1 1 306.450 2.953 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000153977540 426416228 /nfs/dbraw/zinc/41/62/28/426416228.db2.gz NDNWFLPWMYLKNR-MRXNPFEDSA-N 1 1 309.793 2.861 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1O ZINC000153977540 426416231 /nfs/dbraw/zinc/41/62/31/426416231.db2.gz NDNWFLPWMYLKNR-MRXNPFEDSA-N 1 1 309.793 2.861 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)OC3(CCOCC3)C2)c1 ZINC000280434129 426575942 /nfs/dbraw/zinc/57/59/42/426575942.db2.gz JVGJFYGRTNNLKJ-AWEZNQCLSA-N 1 1 321.417 2.561 20 10 DFCDMO CC(C)CC[C@@H](O)C[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000280450266 426579948 /nfs/dbraw/zinc/57/99/48/426579948.db2.gz KVGJZGSATHOXQP-LJQANCHMSA-N 1 1 320.477 2.752 20 10 DFCDMO Cc1cc(Br)cc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000280356657 426558753 /nfs/dbraw/zinc/55/87/53/426558753.db2.gz CHHPJEKVUFABAH-LBPRGKRZSA-N 1 1 314.223 2.666 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000187533839 426668579 /nfs/dbraw/zinc/66/85/79/426668579.db2.gz UAVGMQDKGPYEFG-GOSISDBHSA-N 1 1 322.424 2.663 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@]3(CCOC3)C2)cc1F ZINC000187533839 426668586 /nfs/dbraw/zinc/66/85/86/426668586.db2.gz UAVGMQDKGPYEFG-GOSISDBHSA-N 1 1 322.424 2.663 20 10 DFCDMO CO[C@H](C)C[N@@H+](C)Cc1cc(Br)cc(C)c1O ZINC000289866845 426674796 /nfs/dbraw/zinc/67/47/96/426674796.db2.gz VPMVRRTXPUQFQH-SNVBAGLBSA-N 1 1 302.212 2.930 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289821724 426676023 /nfs/dbraw/zinc/67/60/23/426676023.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 1 1 304.434 2.848 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000289821724 426676028 /nfs/dbraw/zinc/67/60/28/426676028.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 1 1 304.434 2.848 20 10 DFCDMO CCOc1ccc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000289821724 426676029 /nfs/dbraw/zinc/67/60/29/426676029.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 1 1 304.434 2.848 20 10 DFCDMO CCOc1ccc(O)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000289821724 426676033 /nfs/dbraw/zinc/67/60/33/426676033.db2.gz UALXJIDMJDREIO-XYPWUTKMSA-N 1 1 304.434 2.848 20 10 DFCDMO OC[C@]1(F)CCC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000289966929 426677966 /nfs/dbraw/zinc/67/79/66/426677966.db2.gz YWEUQVRASCLTQQ-SFHVURJKSA-N 1 1 306.425 2.973 20 10 DFCDMO Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000281363806 426716078 /nfs/dbraw/zinc/71/60/78/426716078.db2.gz VBAOMYAQHSTZIG-CQSZACIVSA-N 1 1 315.373 2.582 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CCCC3(CCOCC3)C1)OCO2 ZINC000266047502 426721346 /nfs/dbraw/zinc/72/13/46/426721346.db2.gz CEYWPZWWPYAJOV-UHFFFAOYSA-N 1 1 305.374 2.514 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)C[S@](C)=O)cc1F ZINC000187830549 426698426 /nfs/dbraw/zinc/69/84/26/426698426.db2.gz ZSXMXRRUDWXFDT-ASSNKEHSSA-N 1 1 314.470 2.871 20 10 DFCDMO COc1c(O)c(C[NH2+]C[C@H]2CCCSC2)ccc1[N+](=O)[O-] ZINC000290232643 426723145 /nfs/dbraw/zinc/72/31/45/426723145.db2.gz SZHMBDSYFMBZFI-SNVBAGLBSA-N 1 1 312.391 2.542 20 10 DFCDMO COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1O ZINC000281660816 426737446 /nfs/dbraw/zinc/73/74/46/426737446.db2.gz CIVOYQDMAPLBSI-HOTGVXAUSA-N 1 1 317.360 2.848 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2c2cccc(F)c2)c1 ZINC000281670633 426740379 /nfs/dbraw/zinc/74/03/79/426740379.db2.gz DHZNRATZMWKJFC-RDJZCZTQSA-N 1 1 317.360 2.848 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCCN(C(C)=O)CC2)cc1 ZINC000179816426 426820026 /nfs/dbraw/zinc/82/00/26/426820026.db2.gz RQRRDWLZUCTPBV-UHFFFAOYSA-N 1 1 303.450 2.587 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000179803551 426820490 /nfs/dbraw/zinc/82/04/90/426820490.db2.gz YLVSZCKFOZACPA-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]2CN2CCCCC2)c1 ZINC000179803551 426820495 /nfs/dbraw/zinc/82/04/95/426820495.db2.gz YLVSZCKFOZACPA-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000246807130 426866519 /nfs/dbraw/zinc/86/65/19/426866519.db2.gz QXLRPNOHIBYVCX-YCPHGPKFSA-N 1 1 311.809 2.814 20 10 DFCDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cc(Cl)ccc3O)[C@H]2C1 ZINC000246807130 426866524 /nfs/dbraw/zinc/86/65/24/426866524.db2.gz QXLRPNOHIBYVCX-YCPHGPKFSA-N 1 1 311.809 2.814 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CC3(CCC3)[C@H]1[C@H]1CCCO1)OCO2 ZINC000290947661 426870144 /nfs/dbraw/zinc/87/01/44/426870144.db2.gz QKQNXNLTYWBBNV-RHSMWYFYSA-N 1 1 317.385 2.654 20 10 DFCDMO OC[C@@]1([NH2+]Cc2cccc(F)c2O)CCCc2ccccc21 ZINC000282424017 426910527 /nfs/dbraw/zinc/91/05/27/426910527.db2.gz SUNQLGSTSDDNHG-SFHVURJKSA-N 1 1 301.361 2.845 20 10 DFCDMO CC(C)(O)C[N@@H+](Cc1cc(Br)ccc1O)C1CC1 ZINC000189942305 426985282 /nfs/dbraw/zinc/98/52/82/426985282.db2.gz MISXUZKZTKYAEL-UHFFFAOYSA-N 1 1 314.223 2.890 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c1O ZINC000282944936 426933730 /nfs/dbraw/zinc/93/37/30/426933730.db2.gz GTKAGODYTFTYOF-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO COc1cccc(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c1O ZINC000282944936 426933734 /nfs/dbraw/zinc/93/37/34/426933734.db2.gz GTKAGODYTFTYOF-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c1O ZINC000282944936 426933739 /nfs/dbraw/zinc/93/37/39/426933739.db2.gz GTKAGODYTFTYOF-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc(C)n[nH]3)C2)c1 ZINC000283052657 426943310 /nfs/dbraw/zinc/94/33/10/426943310.db2.gz OZXFKPVRGROCTG-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c1 ZINC000283052657 426943318 /nfs/dbraw/zinc/94/33/18/426943318.db2.gz OZXFKPVRGROCTG-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3cc(C)[nH]n3)C2)c1 ZINC000283052657 426943322 /nfs/dbraw/zinc/94/33/22/426943322.db2.gz OZXFKPVRGROCTG-ZDUSSCGKSA-N 1 1 301.390 2.812 20 10 DFCDMO CCC[N@@H+](Cc1cc(=O)c(OC)co1)Cc1ccccc1O ZINC000268513176 427036897 /nfs/dbraw/zinc/03/68/97/427036897.db2.gz CUMGBJIUXQNCEC-UHFFFAOYSA-N 1 1 303.358 2.766 20 10 DFCDMO CN(Cc1cccs1)c1ccc(C[N@@H+](C)CCC(N)=O)cc1 ZINC000296021268 427049720 /nfs/dbraw/zinc/04/97/20/427049720.db2.gz MKOKQTWZAUZDTJ-UHFFFAOYSA-N 1 1 317.458 2.692 20 10 DFCDMO CC[C@@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc(OC)ccc2O)[nH]1 ZINC000277338041 427170115 /nfs/dbraw/zinc/17/01/15/427170115.db2.gz UVLOTMDADSIXBW-GHMZBOCLSA-N 1 1 304.394 2.883 20 10 DFCDMO COCCOC[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292658790 427194657 /nfs/dbraw/zinc/19/46/57/427194657.db2.gz AFIQWTULZMEUKN-KRWDZBQOSA-N 1 1 306.450 2.546 20 10 DFCDMO Cn1ccnc1[C@@H]([NH2+]Cc1cccc(F)c1O)C1CCOCC1 ZINC000284526686 427196022 /nfs/dbraw/zinc/19/60/22/427196022.db2.gz FFWARZNFIJTGTQ-HNNXBMFYSA-N 1 1 319.380 2.522 20 10 DFCDMO CN(C)c1ccc(C[N@H+](CC(=O)c2cccn2C)C2CC2)cc1 ZINC000269458371 427200372 /nfs/dbraw/zinc/20/03/72/427200372.db2.gz HMVTUPLLSUBJFZ-UHFFFAOYSA-N 1 1 311.429 2.938 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](CC(=O)c2cccn2C)C2CC2)cc1 ZINC000269458371 427200377 /nfs/dbraw/zinc/20/03/77/427200377.db2.gz HMVTUPLLSUBJFZ-UHFFFAOYSA-N 1 1 311.429 2.938 20 10 DFCDMO CCOc1cccc(C[N@H+](C)[C@@H](CC(C)C)C(=O)OC)c1O ZINC000292876506 427204864 /nfs/dbraw/zinc/20/48/64/427204864.db2.gz XAVWOSPEOCNDCA-AWEZNQCLSA-N 1 1 309.406 2.810 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)[C@@H](CC(C)C)C(=O)OC)c1O ZINC000292876506 427204871 /nfs/dbraw/zinc/20/48/71/427204871.db2.gz XAVWOSPEOCNDCA-AWEZNQCLSA-N 1 1 309.406 2.810 20 10 DFCDMO CCC(C)(C)[N@@H+](C)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000269603902 427228295 /nfs/dbraw/zinc/22/82/95/427228295.db2.gz BIDJATSOJYASGB-UHFFFAOYSA-N 1 1 305.466 2.831 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CCO[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000296754841 427229140 /nfs/dbraw/zinc/22/91/40/427229140.db2.gz LAOSTTHFAXRDLB-HOTGVXAUSA-N 1 1 318.461 2.911 20 10 DFCDMO Nc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000296815813 427238682 /nfs/dbraw/zinc/23/86/82/427238682.db2.gz AGBHULZNFMUONG-GOSISDBHSA-N 1 1 309.413 2.550 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000270134089 427317764 /nfs/dbraw/zinc/31/77/64/427317764.db2.gz PAQLPYCMAIWHAU-XHDPSFHLSA-N 1 1 311.809 2.841 20 10 DFCDMO CC(=O)c1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1O ZINC000270134089 427317770 /nfs/dbraw/zinc/31/77/70/427317770.db2.gz PAQLPYCMAIWHAU-XHDPSFHLSA-N 1 1 311.809 2.841 20 10 DFCDMO CCCC[N@@H+](CCO)Cc1cc(Br)ccc1O ZINC000271012021 427370266 /nfs/dbraw/zinc/37/02/66/427370266.db2.gz PNGAJCHJSNXGRF-UHFFFAOYSA-N 1 1 302.212 2.749 20 10 DFCDMO CCCOc1ccc(C[N@@H+](CCCOC)CCOC)c(O)c1 ZINC000271112134 427407904 /nfs/dbraw/zinc/40/79/04/427407904.db2.gz FBTBGMXRYSPBNH-UHFFFAOYSA-N 1 1 311.422 2.666 20 10 DFCDMO COc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000293902563 427483199 /nfs/dbraw/zinc/48/31/99/427483199.db2.gz FMOXKQJDXSJNDH-QZTJIDSGSA-N 1 1 319.401 2.553 20 10 DFCDMO COc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cc1OC ZINC000293902563 427483207 /nfs/dbraw/zinc/48/32/07/427483207.db2.gz FMOXKQJDXSJNDH-QZTJIDSGSA-N 1 1 319.401 2.553 20 10 DFCDMO COc1c(O)c(C[NH2+]C[C@@H](C)c2nccs2)ccc1[N+](=O)[O-] ZINC000278292537 427426036 /nfs/dbraw/zinc/42/60/36/427426036.db2.gz BUTWUPTWFDEYJQ-SECBINFHSA-N 1 1 323.374 2.659 20 10 DFCDMO CCCC[C@@H](COC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278293016 427427840 /nfs/dbraw/zinc/42/78/40/427427840.db2.gz BXNSNTBAEFDMHB-LBPRGKRZSA-N 1 1 312.366 2.604 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)c1 ZINC000293763113 427429387 /nfs/dbraw/zinc/42/93/87/427429387.db2.gz XXJHEFQVQQAIBF-KRWDZBQOSA-N 1 1 303.402 2.792 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](Oc3ccccn3)C2)c1 ZINC000271183603 427436923 /nfs/dbraw/zinc/43/69/23/427436923.db2.gz LINJAQOYBBYDLF-MRXNPFEDSA-N 1 1 314.385 2.839 20 10 DFCDMO COc1c(O)c(C[NH2+][C@H](C)c2cccnc2)ccc1[N+](=O)[O-] ZINC000278575162 427445562 /nfs/dbraw/zinc/44/55/62/427445562.db2.gz DKKVPPRKRPBVPR-SNVBAGLBSA-N 1 1 303.318 2.555 20 10 DFCDMO COC[C@@H]([NH2+]Cc1cc(F)cc(C(C)=O)c1O)c1ccco1 ZINC000184577618 427492366 /nfs/dbraw/zinc/49/23/66/427492366.db2.gz BKBAUNVQIRQQLS-CQSZACIVSA-N 1 1 307.321 2.804 20 10 DFCDMO COc1c(O)c(C[NH2+]Cc2ccc(C)cc2)ccc1[N+](=O)[O-] ZINC000278948958 427510634 /nfs/dbraw/zinc/51/06/34/427510634.db2.gz ZAVAPMGCMKIXCU-UHFFFAOYSA-N 1 1 302.330 2.907 20 10 DFCDMO COC(=O)C[C@@H]1CCC[N@H+]1Cc1cc(Cl)cc(OC)c1O ZINC000184698302 427519582 /nfs/dbraw/zinc/51/95/82/427519582.db2.gz 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ZINC000156843857 521278064 /nfs/dbraw/zinc/27/80/64/521278064.db2.gz DFDBLRVBMCBTCP-UHFFFAOYSA-N 1 1 316.449 2.825 20 10 DFCDMO CC[N@@H+](Cc1c(C)nn(C)c1OC)Cc1ccc(N(C)C)cc1 ZINC000156843857 521278075 /nfs/dbraw/zinc/27/80/75/521278075.db2.gz DFDBLRVBMCBTCP-UHFFFAOYSA-N 1 1 316.449 2.825 20 10 DFCDMO CN(C)c1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1F ZINC000190907472 522209908 /nfs/dbraw/zinc/20/99/08/522209908.db2.gz UIYKYHOJUWASHV-UHFFFAOYSA-N 1 1 305.401 2.528 20 10 DFCDMO COc1cc(Cl)cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1O ZINC000248888047 522537758 /nfs/dbraw/zinc/53/77/58/522537758.db2.gz RIARCGSRYMQMQH-IUODEOHRSA-N 1 1 324.852 2.970 20 10 DFCDMO COCCC[N@H+]1CCCN([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986563 523300292 /nfs/dbraw/zinc/30/02/92/523300292.db2.gz TWDNNPBRMCVIPV-HNNXBMFYSA-N 1 1 322.449 2.506 20 10 DFCDMO COCCCN1CCC[N@@H+]([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986563 523300299 /nfs/dbraw/zinc/30/02/99/523300299.db2.gz TWDNNPBRMCVIPV-HNNXBMFYSA-N 1 1 322.449 2.506 20 10 DFCDMO COCCCN1CCC[N@H+]([C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986563 523300305 /nfs/dbraw/zinc/30/03/05/523300305.db2.gz TWDNNPBRMCVIPV-HNNXBMFYSA-N 1 1 322.449 2.506 20 10 DFCDMO CCn1cnnc1[C@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000179878934 523606283 /nfs/dbraw/zinc/60/62/83/523606283.db2.gz XEQQATSEBUKNRZ-INIZCTEOSA-N 1 1 313.449 2.744 20 10 DFCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cnc[nH]3)CC2)cc1 ZINC000367432883 524404160 /nfs/dbraw/zinc/40/41/60/524404160.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 1 1 300.406 2.519 20 10 DFCDMO COc1ccc(N2CCC([N@H+](C)Cc3c[nH]cn3)CC2)cc1 ZINC000367432883 524404167 /nfs/dbraw/zinc/40/41/67/524404167.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 1 1 300.406 2.519 20 10 DFCDMO COc1ccc(N2CCC([N@@H+](C)Cc3c[nH]cn3)CC2)cc1 ZINC000367432883 524404195 /nfs/dbraw/zinc/40/41/95/524404195.db2.gz RCKSWWBTDMUTQP-UHFFFAOYSA-N 1 1 300.406 2.519 20 10 DFCDMO C[C@H]1CN(C[C@@H]2CCC[N@H+]2Cc2cc(F)ccc2O)C[C@H](C)O1 ZINC000179990302 524605133 /nfs/dbraw/zinc/60/51/33/524605133.db2.gz 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ZINC000180157165 525361073 /nfs/dbraw/zinc/36/10/73/525361073.db2.gz HINQIVBISJNWBK-INIZCTEOSA-N 1 1 305.349 2.705 20 10 DFCDMO COc1cccc(C[NH+]2CC(O)(c3ccc(Cl)cc3)C2)c1O ZINC000365679845 525931995 /nfs/dbraw/zinc/93/19/95/525931995.db2.gz QOUSXKMWPMWYNO-UHFFFAOYSA-N 1 1 319.788 2.758 20 10 DFCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272314001 534903597 /nfs/dbraw/zinc/90/35/97/534903597.db2.gz SDMURDBLNBHURW-LBPRGKRZSA-N 1 1 310.369 2.630 20 10 DFCDMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272314001 534903602 /nfs/dbraw/zinc/90/36/02/534903602.db2.gz SDMURDBLNBHURW-LBPRGKRZSA-N 1 1 310.369 2.630 20 10 DFCDMO Oc1cc2c(cc1C[N@@H+]1CCO[C@H](c3cccs3)C1)OCO2 ZINC000128463855 526337117 /nfs/dbraw/zinc/33/71/17/526337117.db2.gz AREMEZUHOBUGIB-HNNXBMFYSA-N 1 1 319.382 2.756 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CCO[C@H](c3cccs3)C1)OCO2 ZINC000128463855 526337120 /nfs/dbraw/zinc/33/71/20/526337120.db2.gz AREMEZUHOBUGIB-HNNXBMFYSA-N 1 1 319.382 2.756 20 10 DFCDMO 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2ncccc2C)c1 ZINC000296556062 427222138 /nfs/dbraw/zinc/22/21/38/427222138.db2.gz RVJXUCBLUSAGKW-CYBMUJFWSA-N 1 1 314.385 2.776 20 10 DFCDMO C[C@H](c1ccccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647448 427226825 /nfs/dbraw/zinc/22/68/25/427226825.db2.gz YOKDDRNHMDYVJL-QLFBSQMISA-N 1 1 310.397 2.734 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](C3(C)OCCO3)C2)cc1 ZINC000183241359 427233296 /nfs/dbraw/zinc/23/32/96/427233296.db2.gz YBBIEHVQVQPFNF-INIZCTEOSA-N 1 1 304.434 2.728 20 10 DFCDMO CCN(C)c1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1 ZINC000183862838 427353276 /nfs/dbraw/zinc/35/32/76/427353276.db2.gz RGZXOOCXKFPTLA-CQSZACIVSA-N 1 1 313.449 2.921 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](Cc2cnc3cnccn23)C2CC2)cc1 ZINC000271029099 427379768 /nfs/dbraw/zinc/37/97/68/427379768.db2.gz BRNLEMXGHARHIH-UHFFFAOYSA-N 1 1 321.428 2.960 20 10 DFCDMO CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)c(F)cc1O ZINC000293624539 427384305 /nfs/dbraw/zinc/38/43/05/427384305.db2.gz MTQRXXGUQUNIOP-IUCAKERBSA-N 1 1 302.777 2.578 20 10 DFCDMO NC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)ccc1O ZINC000271046152 427386383 /nfs/dbraw/zinc/38/63/83/427386383.db2.gz QZBCGLDINIFYAW-KRWDZBQOSA-N 1 1 310.397 2.899 20 10 DFCDMO Cc1cc(O)c(C[NH2+]CCCN2CCCO[C@@H](C)C2)cc1C ZINC000278057219 427394488 /nfs/dbraw/zinc/39/44/88/427394488.db2.gz YMMJJAFXECHSNC-INIZCTEOSA-N 1 1 306.450 2.600 20 10 DFCDMO CN(C)[C@@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCSC1 ZINC000293708338 427411526 /nfs/dbraw/zinc/41/15/26/427411526.db2.gz UMEYISHXQVPMIJ-CQSZACIVSA-N 1 1 318.845 2.712 20 10 DFCDMO Cc1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000278131099 427414308 /nfs/dbraw/zinc/41/43/08/427414308.db2.gz CFGLDQPNGJKEDF-JSGCOSHPSA-N 1 1 303.324 2.836 20 10 DFCDMO CCc1nocc1C[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000293564183 427363796 /nfs/dbraw/zinc/36/37/96/427363796.db2.gz GIGCAALYAWTABP-UHFFFAOYSA-N 1 1 306.362 2.592 20 10 DFCDMO CCc1nocc1C[N@@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000293564183 427363801 /nfs/dbraw/zinc/36/38/01/427363801.db2.gz GIGCAALYAWTABP-UHFFFAOYSA-N 1 1 306.362 2.592 20 10 DFCDMO Cc1ccc([C@H](C)[NH2+]CCCN2CCCO[C@H](C)C2)c(O)c1 ZINC000278789096 427451819 /nfs/dbraw/zinc/45/18/19/427451819.db2.gz YQKIPCXGWDOZOP-CVEARBPZSA-N 1 1 306.450 2.852 20 10 DFCDMO COc1c(O)c(C[N@@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278319769 427426782 /nfs/dbraw/zinc/42/67/82/427426782.db2.gz FZFZMKFATFOGOS-SNVBAGLBSA-N 1 1 312.391 2.636 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCSCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000278319769 427426791 /nfs/dbraw/zinc/42/67/91/427426791.db2.gz FZFZMKFATFOGOS-SNVBAGLBSA-N 1 1 312.391 2.636 20 10 DFCDMO COc1c(O)c(C[N@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278247195 427428646 /nfs/dbraw/zinc/42/86/46/427428646.db2.gz OTQOPYRXWNRVAR-UHFFFAOYSA-N 1 1 316.357 2.984 20 10 DFCDMO COc1c(O)c(C[N@@H+](C)CCc2ccccc2)ccc1[N+](=O)[O-] ZINC000278247195 427428654 /nfs/dbraw/zinc/42/86/54/427428654.db2.gz OTQOPYRXWNRVAR-UHFFFAOYSA-N 1 1 316.357 2.984 20 10 DFCDMO CCC[N@@H+](Cc1cnc(N(C)C)nc1)Cc1ccccc1O ZINC000271183411 427437002 /nfs/dbraw/zinc/43/70/02/427437002.db2.gz IMAWSMMCERNMHS-UHFFFAOYSA-N 1 1 300.406 2.660 20 10 DFCDMO COc1c(O)c(C[NH2+]CCC[C@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278468427 427438338 /nfs/dbraw/zinc/43/83/38/427438338.db2.gz GPTKUVCVPLKTFH-CYBMUJFWSA-N 1 1 324.377 2.748 20 10 DFCDMO COc1c(O)c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000278538215 427441284 /nfs/dbraw/zinc/44/12/84/427441284.db2.gz WRRGGODBQJSLAC-NEPJUHHUSA-N 1 1 324.377 2.604 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCO[C@H](c2cncn2C)C1)c1ccc(F)cc1O ZINC000279029212 427533823 /nfs/dbraw/zinc/53/38/23/427533823.db2.gz VWNZOLCBPGIMLJ-PPHDSNJXSA-N 1 1 319.380 2.836 20 10 DFCDMO C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2O)C1 ZINC000263784542 427570243 /nfs/dbraw/zinc/57/02/43/427570243.db2.gz WXNPFSAJIHWTPY-AWEZNQCLSA-N 1 1 319.449 2.702 20 10 DFCDMO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192617091 427572806 /nfs/dbraw/zinc/57/28/06/427572806.db2.gz PGXBBTKIJLUDCW-MRVPVSSYSA-N 1 1 305.205 2.874 20 10 DFCDMO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000192883509 427629563 /nfs/dbraw/zinc/62/95/63/427629563.db2.gz TWJGBVCLADZHFY-RKDXNWHRSA-N 1 1 317.216 2.970 20 10 DFCDMO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1cc(Cl)c(Cl)cc1O ZINC000192883527 427630763 /nfs/dbraw/zinc/63/07/63/427630763.db2.gz TWJGBVCLADZHFY-IUCAKERBSA-N 1 1 317.216 2.970 20 10 DFCDMO Cc1ccc(O)c([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c1 ZINC000185491682 427660187 /nfs/dbraw/zinc/66/01/87/427660187.db2.gz KCEBZYXOMNXVRF-HOTGVXAUSA-N 1 1 318.461 2.852 20 10 DFCDMO CN(C)c1ccc(C[N@@H+](CC(=O)NC(C)(C)C)C2CC2)cc1 ZINC000298685314 427676683 /nfs/dbraw/zinc/67/66/83/427676683.db2.gz BGSKCBFXARRKMG-UHFFFAOYSA-N 1 1 303.450 2.632 20 10 DFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279656549 427716148 /nfs/dbraw/zinc/71/61/48/427716148.db2.gz LGCPKLOFZXHBOM-LIRRHRJNSA-N 1 1 313.397 2.925 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1O ZINC000279736053 427718514 /nfs/dbraw/zinc/71/85/14/427718514.db2.gz WOFWLPSEFIHOQF-CQSZACIVSA-N 1 1 317.389 2.781 20 10 DFCDMO Cc1cccc(C[N@H+]2CCO[C@@H](c3nnc(C(C)C)o3)C2)c1O ZINC000279736053 427718520 /nfs/dbraw/zinc/71/85/20/427718520.db2.gz WOFWLPSEFIHOQF-CQSZACIVSA-N 1 1 317.389 2.781 20 10 DFCDMO C[C@H]([NH2+][C@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1O ZINC000186050809 427743719 /nfs/dbraw/zinc/74/37/19/427743719.db2.gz MYJANAKXBDTAAN-JSGCOSHPSA-N 1 1 316.380 2.641 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081915 /nfs/dbraw/zinc/08/19/15/428081915.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081919 /nfs/dbraw/zinc/08/19/19/428081919.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081928 /nfs/dbraw/zinc/08/19/28/428081928.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 1 1 316.445 2.878 20 10 DFCDMO COc1ccc(O)c([C@H](C)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000369876547 428081934 /nfs/dbraw/zinc/08/19/34/428081934.db2.gz ATDXGUIIEBUSEL-ZZCKCESHSA-N 1 1 316.445 2.878 20 10 DFCDMO CCOC(=O)CCC[N@H+]1CCCN(c2ccc(OC)cc2)CC1 ZINC000360186748 428196027 /nfs/dbraw/zinc/19/60/27/428196027.db2.gz HISSDVZMKBSUOK-UHFFFAOYSA-N 1 1 320.433 2.551 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c(O)c1 ZINC000370705232 428279296 /nfs/dbraw/zinc/27/92/96/428279296.db2.gz FNXMZBKFCOTSPG-CQSZACIVSA-N 1 1 316.405 2.679 20 10 DFCDMO Oc1ccc(Cl)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402923 428388969 /nfs/dbraw/zinc/38/89/69/428388969.db2.gz FPYIURFMEWVYFC-BMFZPTHFSA-N 1 1 306.837 2.962 20 10 DFCDMO CCOC(=O)[C@H]1CCCCC[N@H+]1Cc1cccc(OC)c1O ZINC000371398996 428389148 /nfs/dbraw/zinc/38/91/48/428389148.db2.gz VDRCMINYJVFQIU-CQSZACIVSA-N 1 1 307.390 2.709 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H]2Cn2cccn2)c1 ZINC000371423262 428389650 /nfs/dbraw/zinc/38/96/50/428389650.db2.gz BWJMWTFPQSOUNE-OAHLLOKOSA-N 1 1 301.390 2.652 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000360671938 428392189 /nfs/dbraw/zinc/39/21/89/428392189.db2.gz MKBVEBYGFOEOGD-QGZVFWFLSA-N 1 1 305.324 2.764 20 10 DFCDMO C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000371248123 428380458 /nfs/dbraw/zinc/38/04/58/428380458.db2.gz UJHBZAZGKATLBW-UGFHNGPFSA-N 1 1 322.836 2.782 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372513827 428458581 /nfs/dbraw/zinc/45/85/81/428458581.db2.gz LUECRPGUTCQOIJ-ZFWWWQNUSA-N 1 1 309.406 2.588 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCO[C@H](COC(C)C)C2)c1 ZINC000372513827 428458584 /nfs/dbraw/zinc/45/85/84/428458584.db2.gz LUECRPGUTCQOIJ-ZFWWWQNUSA-N 1 1 309.406 2.588 20 10 DFCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000372544728 428459431 /nfs/dbraw/zinc/45/94/31/428459431.db2.gz LYORPGCPJBSTLW-GFCCVEGCSA-N 1 1 305.809 2.937 20 10 DFCDMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000372544728 428459435 /nfs/dbraw/zinc/45/94/35/428459435.db2.gz LYORPGCPJBSTLW-GFCCVEGCSA-N 1 1 305.809 2.937 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)cc1 ZINC000373038781 428515912 /nfs/dbraw/zinc/51/59/12/428515912.db2.gz WQEQJIMCUUUJKF-VFNWGFHPSA-N 1 1 308.491 2.876 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CC[S@@](=O)CC[C@H]2C)cc1 ZINC000373038781 428515919 /nfs/dbraw/zinc/51/59/19/428515919.db2.gz WQEQJIMCUUUJKF-VFNWGFHPSA-N 1 1 308.491 2.876 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000372595713 428472260 /nfs/dbraw/zinc/47/22/60/428472260.db2.gz QOSULZGXBPSCMP-HIFRSBDPSA-N 1 1 303.362 2.608 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@H](c2noc(C)n2)C1 ZINC000372595713 428472265 /nfs/dbraw/zinc/47/22/65/428472265.db2.gz QOSULZGXBPSCMP-HIFRSBDPSA-N 1 1 303.362 2.608 20 10 DFCDMO [O-]c1c(Cl)cccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362036122 428612152 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COc1ccc(N2CCC([N@@H+](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000365720177 429363173 /nfs/dbraw/zinc/36/31/73/429363173.db2.gz SZZVVBAOQTZXRO-HNNXBMFYSA-N 1 1 304.434 2.632 20 10 DFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](n3cccn3)C2)c1O ZINC000365846358 429385454 /nfs/dbraw/zinc/38/54/54/429385454.db2.gz IFIIJGBUXZZBOC-ZDUSSCGKSA-N 1 1 307.781 2.698 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)c1O ZINC000367457445 429652386 /nfs/dbraw/zinc/65/23/86/429652386.db2.gz GMVWCRDMSDNXJU-HZPDHXFCSA-N 1 1 307.365 2.877 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]([C@@H](C)C(=O)OC)C2CCC2)c1 ZINC000191649383 276375112 /nfs/dbraw/zinc/37/51/12/276375112.db2.gz RKZFEBOPHGYRNW-LBPRGKRZSA-N 1 1 307.390 2.707 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]([C@@H](C)C(=O)OC)C2CCC2)c1 ZINC000191649383 276375115 /nfs/dbraw/zinc/37/51/15/276375115.db2.gz RKZFEBOPHGYRNW-LBPRGKRZSA-N 1 1 307.390 2.707 20 10 DFCDMO Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702077 429703708 /nfs/dbraw/zinc/70/37/08/429703708.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N 1 1 309.772 2.908 20 10 DFCDMO Cn1ccnc1[C@@H]1CC[N@@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000367702077 429703711 /nfs/dbraw/zinc/70/37/11/429703711.db2.gz LXQVCOCTYWFRIH-SNVBAGLBSA-N 1 1 309.772 2.908 20 10 DFCDMO CCCOc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c(O)c1 ZINC000368090143 429785908 /nfs/dbraw/zinc/78/59/08/429785908.db2.gz PPERHQBDLHPTOY-ZDUSSCGKSA-N 1 1 301.390 2.551 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000368352831 429836614 /nfs/dbraw/zinc/83/66/14/429836614.db2.gz XTNATAXUUMZKLE-RTBURBONSA-N 1 1 316.445 2.667 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[N@H+]1CCO[C@@H]2CCOC[C@H]21 ZINC000368352831 429836616 /nfs/dbraw/zinc/83/66/16/429836616.db2.gz XTNATAXUUMZKLE-RTBURBONSA-N 1 1 316.445 2.667 20 10 DFCDMO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368717031 429890228 /nfs/dbraw/zinc/89/02/28/429890228.db2.gz WXAIYZRPPSULCV-ZDUSSCGKSA-N 1 1 303.381 2.720 20 10 DFCDMO Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368717031 429890230 /nfs/dbraw/zinc/89/02/30/429890230.db2.gz WXAIYZRPPSULCV-ZDUSSCGKSA-N 1 1 303.381 2.720 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@H](N3CCCCC3=O)C2)cc1C ZINC000369278556 429922173 /nfs/dbraw/zinc/92/21/73/429922173.db2.gz RXOAZEXBVGWVBL-KRWDZBQOSA-N 1 1 316.445 2.986 20 10 DFCDMO O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cc(F)ccc1O)C2 ZINC000364449045 280304918 /nfs/dbraw/zinc/30/49/18/280304918.db2.gz QKNWPTVZRGHTMO-SFHVURJKSA-N 1 1 312.344 2.627 20 10 DFCDMO C[C@H]([NH2+]C[C@H]1CC[C@@H](CO)O1)c1cc(Cl)c(Cl)cc1O ZINC000293708452 335112583 /nfs/dbraw/zinc/11/25/83/335112583.db2.gz MQCBKIPTBFBGIU-AEJSXWLSSA-N 1 1 320.216 2.890 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCCNC(=O)[C@@H]2CC(C)C)c1 ZINC000293821906 335117990 /nfs/dbraw/zinc/11/79/90/335117990.db2.gz FVDLFEJHFIBPNY-INIZCTEOSA-N 1 1 320.433 2.528 20 10 DFCDMO COc1ccc(OCC[N@@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000179596448 333153097 /nfs/dbraw/zinc/15/30/97/333153097.db2.gz BQTQFMQNRBVBOM-UHFFFAOYSA-N 1 1 317.385 2.920 20 10 DFCDMO COC[C@H]1CCCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000364124381 333241998 /nfs/dbraw/zinc/24/19/98/333241998.db2.gz GGQQTUQTCOYMIQ-ZDUSSCGKSA-N 1 1 309.381 2.982 20 10 DFCDMO CCC[N@@H+](CCO)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000295594778 335136320 /nfs/dbraw/zinc/13/63/20/335136320.db2.gz TXTLCKDYKFHWOE-UHFFFAOYSA-N 1 1 306.450 2.506 20 10 DFCDMO COC1CCN(c2ccc(C[N@@H+](C)CCCCO)cc2)CC1 ZINC000295902430 335138367 /nfs/dbraw/zinc/13/83/67/335138367.db2.gz FEJDBVHRNJHWNR-UHFFFAOYSA-N 1 1 306.450 2.506 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H](C)[C@@H]3CO)cc2)CC1 ZINC000296005231 335139280 /nfs/dbraw/zinc/13/92/80/335139280.db2.gz NDUVAZDBUJUBNI-BEFAXECRSA-N 1 1 318.461 2.505 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+](CC2CCC2)[C@H](C)CO)c1O ZINC000280231073 334115660 /nfs/dbraw/zinc/11/56/60/334115660.db2.gz AJWOZGOYHSMKEW-LLVKDONJSA-N 1 1 309.381 2.717 20 10 DFCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000368075748 336837400 /nfs/dbraw/zinc/83/74/00/336837400.db2.gz ZUVQPGYOGRIDLX-QGZVFWFLSA-N 1 1 324.428 2.677 20 10 DFCDMO Cc1ncc2c(n1)CC[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)C2 ZINC000375450528 337011400 /nfs/dbraw/zinc/01/14/00/337011400.db2.gz BIYQNPZUIYRMKJ-LLVKDONJSA-N 1 1 321.783 2.930 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H]2c2cn(C)nc2C)c1O ZINC000375842991 337021139 /nfs/dbraw/zinc/02/11/39/337021139.db2.gz AEZLJMDLWVGQCS-HNNXBMFYSA-N 1 1 301.390 2.780 20 10 DFCDMO CCCOc1ccc(C[NH+]2CC(n3cc(C)cn3)C2)c(O)c1 ZINC000375853597 337021522 /nfs/dbraw/zinc/02/15/22/337021522.db2.gz XBHLKJZUFCCEAK-UHFFFAOYSA-N 1 1 301.390 2.743 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)c1 ZINC000377539241 337054570 /nfs/dbraw/zinc/05/45/70/337054570.db2.gz CMCYMOMCISBGKN-PZMTTYODSA-N 1 1 321.417 2.730 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1 ZINC000377539242 337054598 /nfs/dbraw/zinc/05/45/98/337054598.db2.gz CMCYMOMCISBGKN-WIRVQXDCSA-N 1 1 321.417 2.730 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@@H+](C)C[C@H]2CCc3nccn3C2)c1 ZINC000377687670 337058333 /nfs/dbraw/zinc/05/83/33/337058333.db2.gz ALVGWGXUTZDZCW-UONOGXRCSA-N 1 1 315.417 2.853 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2nnc(C)o2)C1 ZINC000377713716 337059371 /nfs/dbraw/zinc/05/93/71/337059371.db2.gz AKUKRIQPSWLMPE-UKRRQHHQSA-N 1 1 303.362 2.608 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@](O)(c3ccc(F)cc3)C2)c1 ZINC000378520980 337075060 /nfs/dbraw/zinc/07/50/60/337075060.db2.gz OKBYAIAVQYLPRH-GOSISDBHSA-N 1 1 301.361 2.933 20 10 DFCDMO COc1cc(Cl)cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1O ZINC000228666646 337078088 /nfs/dbraw/zinc/07/80/88/337078088.db2.gz QBRZRMAJNVXBTN-FZMZJTMJSA-N 1 1 310.825 2.723 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000179859466 337172209 /nfs/dbraw/zinc/17/22/09/337172209.db2.gz MDGYXWIPFAVWBB-SOLBZPMBSA-N 1 1 318.461 2.774 20 10 DFCDMO Oc1ccc(Cl)c(F)c1C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000190930116 337291466 /nfs/dbraw/zinc/29/14/66/337291466.db2.gz CCHQTSGNHSHLTB-ZBFHGGJFSA-N 1 1 307.752 2.933 20 10 DFCDMO [O-]c1ccc(Cl)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248343 340783746 /nfs/dbraw/zinc/78/37/46/340783746.db2.gz JKPHYNUHIIREKD-MRXNPFEDSA-N 1 1 324.852 2.636 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCCN(CCC)C(=O)C2)c(O)c1 ZINC000189218059 520347590 /nfs/dbraw/zinc/34/75/90/520347590.db2.gz HBHGZOONNYSROW-UHFFFAOYSA-N 1 1 320.433 2.625 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1 ZINC000191676729 521146258 /nfs/dbraw/zinc/14/62/58/521146258.db2.gz TWEJGVJLGHGYTD-ISTRZQFTSA-N 1 1 319.401 2.564 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000128521449 521149004 /nfs/dbraw/zinc/14/90/04/521149004.db2.gz PPMSGQFCHQVKCR-CYBMUJFWSA-N 1 1 301.390 2.514 20 10 DFCDMO CCOc1cccc(C[N@@H+](CC)C[C@H](O)C(F)(F)F)c1O ZINC000189871154 521334114 /nfs/dbraw/zinc/33/41/14/521334114.db2.gz PEZFRVFZCPPYIN-LBPRGKRZSA-N 1 1 307.312 2.536 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H]3CCC[C@@H]3[C@@H]2C(=O)OC)c1O ZINC000191677698 521344226 /nfs/dbraw/zinc/34/42/26/521344226.db2.gz IIZYAVGGWSQRRI-IVMMDQJWSA-N 1 1 319.401 2.564 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)cc1F ZINC000128420611 522180808 /nfs/dbraw/zinc/18/08/08/522180808.db2.gz ZRDQOCFWMZBZRI-CQSZACIVSA-N 1 1 302.397 2.615 20 10 DFCDMO CC[C@H]([NH2+]C1CCN(C[C@@H]2CCOC2)CC1)c1ccccc1O ZINC000155895130 522562869 /nfs/dbraw/zinc/56/28/69/522562869.db2.gz DITVXUYNTBRICZ-YJBOKZPZSA-N 1 1 318.461 2.934 20 10 DFCDMO CC[C@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1O ZINC000367729714 522674804 /nfs/dbraw/zinc/67/48/04/522674804.db2.gz VGMOLXOWGPJGAG-ZDUSSCGKSA-N 1 1 304.369 2.700 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000179957424 524738252 /nfs/dbraw/zinc/73/82/52/524738252.db2.gz QKGRAJDGJOLPDM-MRXNPFEDSA-N 1 1 304.434 2.851 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCCC[C@@H](N3CCCC3)C2)c1 ZINC000179957424 524738259 /nfs/dbraw/zinc/73/82/59/524738259.db2.gz QKGRAJDGJOLPDM-MRXNPFEDSA-N 1 1 304.434 2.851 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1O ZINC000180454254 524867055 /nfs/dbraw/zinc/86/70/55/524867055.db2.gz OFQXLGLKTPCAOE-CQSZACIVSA-N 1 1 324.852 2.508 20 10 DFCDMO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccc(N)cc2)C1 ZINC000237714402 525379604 /nfs/dbraw/zinc/37/96/04/525379604.db2.gz BRFVNMIMGOCLLN-GASCZTMLSA-N 1 1 317.477 2.684 20 10 DFCDMO Oc1cc(OCc2ccccc2)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000182943133 526334678 /nfs/dbraw/zinc/33/46/78/526334678.db2.gz XVUPLQILBFQKNV-QGZVFWFLSA-N 1 1 313.397 2.928 20 10 DFCDMO Cc1nc(C)n(C[C@@H]2CCC[N@@H+](Cc3cc(F)ccc3O)C2)n1 ZINC000180115069 526760252 /nfs/dbraw/zinc/76/02/52/526760252.db2.gz KLVKOUZNTDOZBB-CQSZACIVSA-N 1 1 318.396 2.652 20 10 DFCDMO OC[C@@H]1CCC[N@H+]1Cc1ccc(OCc2ccccc2)cc1O ZINC000183015883 527589975 /nfs/dbraw/zinc/58/99/75/527589975.db2.gz ASKQSPKDHLXOKU-KRWDZBQOSA-N 1 1 313.397 2.928 20 10 DFCDMO CCOCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2O)CC1 ZINC000278470076 535487793 /nfs/dbraw/zinc/48/77/93/535487793.db2.gz HALFSJUCDGREOF-UHFFFAOYSA-N 1 1 324.377 2.605 20 10 DFCDMO CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1[O-] ZINC000285510033 535803744 /nfs/dbraw/zinc/80/37/44/535803744.db2.gz AOQTUEGRVSBBQK-QGZVFWFLSA-N 1 1 323.456 2.600 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCSC3(CCOCC3)C2)cc1F ZINC000274438511 536147394 /nfs/dbraw/zinc/14/73/94/536147394.db2.gz BESWWEMYKLKNFN-UHFFFAOYSA-N 1 1 324.465 2.990 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]CCc2ccccc2O)c1 ZINC000273566871 536793189 /nfs/dbraw/zinc/79/31/89/536793189.db2.gz JUORQAHNCUOKEY-LBPRGKRZSA-N 1 1 315.369 2.778 20 10 DFCDMO Cc1cc(C)c(O)c(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826263987 607845520 /nfs/dbraw/zinc/84/55/20/607845520.db2.gz YFSXPRMZRJEPEZ-UHFFFAOYSA-N 1 1 323.400 2.821 20 10 DFCDMO Cc1ccc(O)c(C[N@@H+](C)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826291451 608525266 /nfs/dbraw/zinc/52/52/66/608525266.db2.gz GONMNRVKQWPRCB-UHFFFAOYSA-N 1 1 309.373 2.513 20 10 DFCDMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000083105568 398383041 /nfs/dbraw/zinc/38/30/41/398383041.db2.gz SQUBZZLKXLEZPD-CYBMUJFWSA-N 1 1 302.330 2.754 20 10 DFCDMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)no1 ZINC000083105568 398383043 /nfs/dbraw/zinc/38/30/43/398383043.db2.gz SQUBZZLKXLEZPD-CYBMUJFWSA-N 1 1 302.330 2.754 20 10 DFCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092710454 185335915 /nfs/dbraw/zinc/33/59/15/185335915.db2.gz KTRIDRCBXKBFBG-HNNXBMFYSA-N 1 1 304.434 2.829 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585492 398641527 /nfs/dbraw/zinc/64/15/27/398641527.db2.gz FAPOKCGOEDLCPO-QAPCUYQASA-N 1 1 305.418 2.918 20 10 DFCDMO CC(C)OC(=O)CC[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000072629274 191204262 /nfs/dbraw/zinc/20/42/62/191204262.db2.gz XLKGOAYFNJVMMU-MRXNPFEDSA-N 1 1 321.417 2.715 20 10 DFCDMO C[N@@H+](CCC(F)(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000072981097 191262944 /nfs/dbraw/zinc/26/29/44/191262944.db2.gz WHAPLEWIJJFUBQ-UHFFFAOYSA-N 1 1 302.340 2.907 20 10 DFCDMO CN(Cc1ccccc1O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792236 191361622 /nfs/dbraw/zinc/36/16/22/191361622.db2.gz HIIGTSBWGZHGCU-MQVJKMGUSA-N 1 1 317.433 2.549 20 10 DFCDMO Cc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000092040499 193146768 /nfs/dbraw/zinc/14/67/68/193146768.db2.gz LFSZIOAJQKJHOY-WBVHZDCISA-N 1 1 317.385 2.618 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2C[C@H](O)c2ccco2)c1 ZINC000092040499 193146770 /nfs/dbraw/zinc/14/67/70/193146770.db2.gz LFSZIOAJQKJHOY-WBVHZDCISA-N 1 1 317.385 2.618 20 10 DFCDMO CC[C@H](O)[C@@H]1CCCC[N@H+]1Cc1cc(F)cc(C(C)=O)c1O ZINC000079434317 399043494 /nfs/dbraw/zinc/04/34/94/399043494.db2.gz YUTLSLNBRFLLGA-HOTGVXAUSA-N 1 1 309.381 2.859 20 10 DFCDMO CC(C)C(=O)NCC[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000092103714 193159326 /nfs/dbraw/zinc/15/93/26/193159326.db2.gz RHJDDDRBZFOLHA-UHFFFAOYSA-N 1 1 317.477 2.881 20 10 DFCDMO Oc1c(Br)cccc1C[NH2+]C[C@H]1CCCCO1 ZINC000042817968 183311819 /nfs/dbraw/zinc/31/18/19/183311819.db2.gz ZHFUNQLBLRSCOD-LLVKDONJSA-N 1 1 300.196 2.813 20 10 DFCDMO C[C@H]([NH2+][C@@H](CO)C[C@H](O)c1ccccc1)c1ccc(F)cc1O ZINC000273353132 130109028 /nfs/dbraw/zinc/10/90/28/130109028.db2.gz CFWBQBKXDUOUMJ-MJEQTWJJSA-N 1 1 319.376 2.667 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000273522934 130131872 /nfs/dbraw/zinc/13/18/72/130131872.db2.gz USFWKRJCTBNKGN-WWGRRREGSA-N 1 1 320.433 2.558 20 10 DFCDMO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O ZINC000273599721 130141768 /nfs/dbraw/zinc/14/17/68/130141768.db2.gz RRKQWSNARPWDFB-ZBEGNZNMSA-N 1 1 309.406 2.627 20 10 DFCDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1cc(C)ccc1O ZINC000284504633 131087437 /nfs/dbraw/zinc/08/74/37/131087437.db2.gz CSQSVQICQKGQKX-SOLBZPMBSA-N 1 1 305.418 2.717 20 10 DFCDMO CCCOc1ccc(C[N@H+]2C[C@@H](COC)OC(C)(C)C2)c(O)c1 ZINC000284571671 131093546 /nfs/dbraw/zinc/09/35/46/131093546.db2.gz OGPVPVRGWLYICL-INIZCTEOSA-N 1 1 323.433 2.807 20 10 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ACOUFCDELIILHY-QZTJIDSGSA-N 1 1 318.461 2.858 20 10 DFCDMO C[N@H+]1CCC[C@@H]1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573208 426752261 /nfs/dbraw/zinc/75/22/61/426752261.db2.gz ACOUFCDELIILHY-QZTJIDSGSA-N 1 1 318.461 2.858 20 10 DFCDMO COc1ccc(N2CCC[N@H+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000245625874 426756669 /nfs/dbraw/zinc/75/66/69/426756669.db2.gz OYZRDNLZJNITOJ-ROUUACIJSA-N 1 1 304.434 2.511 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)c1O ZINC000245719551 426765824 /nfs/dbraw/zinc/76/58/24/426765824.db2.gz DFFWUQXDXWVRIU-HRCADAONSA-N 1 1 321.417 2.559 20 10 DFCDMO CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000295188001 426856916 /nfs/dbraw/zinc/85/69/16/426856916.db2.gz IMXJGGQFDHUMDJ-HNNXBMFYSA-N 1 1 314.433 2.590 20 10 DFCDMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000179566354 426802382 /nfs/dbraw/zinc/80/23/82/426802382.db2.gz NLZILSDNSNUWEY-ZBFHGGJFSA-N 1 1 304.434 2.909 20 10 DFCDMO Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3O)CC2)s1 ZINC000179562771 426802787 /nfs/dbraw/zinc/80/27/87/426802787.db2.gz JARJODNPUBPZTR-UHFFFAOYSA-N 1 1 316.426 2.720 20 10 DFCDMO Oc1ccccc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179586483 426805664 /nfs/dbraw/zinc/80/56/64/426805664.db2.gz ZKTYENABPWFFEU-IEBWSBKVSA-N 1 1 313.397 2.717 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1O ZINC000290637274 426810299 /nfs/dbraw/zinc/81/02/99/426810299.db2.gz YGVLQMUTSKLVCL-ZDUSSCGKSA-N 1 1 322.836 2.798 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)c1O ZINC000179726738 426814261 /nfs/dbraw/zinc/81/42/61/426814261.db2.gz HBJSEGBTCTVVLM-AWEZNQCLSA-N 1 1 308.809 2.597 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)c1O ZINC000179726724 426814963 /nfs/dbraw/zinc/81/49/63/426814963.db2.gz HBJSEGBTCTVVLM-CQSZACIVSA-N 1 1 308.809 2.597 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)cc1 ZINC000291247118 426879256 /nfs/dbraw/zinc/87/92/56/426879256.db2.gz LPEMUOVCVFUSPV-OAHLLOKOSA-N 1 1 312.404 2.982 20 10 DFCDMO CCCC[N@@H+](CC(=O)NCc1ccco1)Cc1ccccc1O ZINC000282370250 426894527 /nfs/dbraw/zinc/89/45/27/426894527.db2.gz DZSWOVJVZDZEOW-UHFFFAOYSA-N 1 1 316.401 2.904 20 10 DFCDMO CCCOc1ccc(C[N@@H+](C)CCOCCOCC)c(O)c1 ZINC000276212924 427008489 /nfs/dbraw/zinc/00/84/89/427008489.db2.gz PKPRGNHIYSJJEM-UHFFFAOYSA-N 1 1 311.422 2.666 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CCc2scnc2C)c1 ZINC000296249235 427123766 /nfs/dbraw/zinc/12/37/66/427123766.db2.gz CVRNTNFIYNUCTM-SNVBAGLBSA-N 1 1 320.414 2.837 20 10 DFCDMO Cc1c(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C ZINC000268916470 427139664 /nfs/dbraw/zinc/13/96/64/427139664.db2.gz QHFFDTFHRFDJLI-KRWDZBQOSA-N 1 1 315.417 2.615 20 10 DFCDMO CC[C@@H](C)c1nnc([C@H](C)[NH2+]Cc2cc(OC)ccc2O)[nH]1 ZINC000277338048 427170157 /nfs/dbraw/zinc/17/01/57/427170157.db2.gz UVLOTMDADSIXBW-MNOVXSKESA-N 1 1 304.394 2.883 20 10 DFCDMO C[C@@H](c1ccccc1O)[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296647451 427227022 /nfs/dbraw/zinc/22/70/22/427227022.db2.gz 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C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Cl)c(Cl)cc1O ZINC000278872528 427483513 /nfs/dbraw/zinc/48/35/13/427483513.db2.gz RZHCYSWQKJCTRX-FZNYLWTLSA-N 1 1 320.216 2.890 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000293736400 427420956 /nfs/dbraw/zinc/42/09/56/427420956.db2.gz WUHUXIUAMFGQCF-LBPRGKRZSA-N 1 1 321.783 2.948 20 10 DFCDMO CCOc1cccc(C[N@@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000271170247 427432359 /nfs/dbraw/zinc/43/23/59/427432359.db2.gz POKWJVMXWILKDK-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@H](N3CCCCC3)C2)c1O ZINC000271170247 427432365 /nfs/dbraw/zinc/43/23/65/427432365.db2.gz POKWJVMXWILKDK-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO CC[N@@H+](Cc1cnn(C)c1)Cc1cc(Cl)cc(OC)c1O ZINC000184683459 427518266 /nfs/dbraw/zinc/51/82/66/427518266.db2.gz RBXPQTSWXRSDTL-UHFFFAOYSA-N 1 1 309.797 2.810 20 10 DFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@H](c3cnn(C)c3)C2)c1O ZINC000184696108 427521674 /nfs/dbraw/zinc/52/16/74/427521674.db2.gz 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DFCDMO CCc1nnc([C@H]2C[N@@H+](Cc3cc(C)c(C)cc3O)CCO2)o1 ZINC000279685073 427716002 /nfs/dbraw/zinc/71/60/02/427716002.db2.gz FSDQRPVEOPLVGE-OAHLLOKOSA-N 1 1 317.389 2.528 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCCN(c2cccnn2)C1)c1ccc(F)cc1O ZINC000186050777 427743911 /nfs/dbraw/zinc/74/39/11/427743911.db2.gz MYJANAKXBDTAAN-GXTWGEPZSA-N 1 1 316.380 2.641 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCCOC2)O1 ZINC000369874678 428078462 /nfs/dbraw/zinc/07/84/62/428078462.db2.gz QNLVHUAPOQIONR-MOPGFXCFSA-N 1 1 318.461 2.913 20 10 DFCDMO COc1cc(Cl)cc(CN2CC[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1O ZINC000359977113 428101116 /nfs/dbraw/zinc/10/11/16/428101116.db2.gz VNXFFJDLMPYAPA-SMDDNHRTSA-N 1 1 310.825 2.580 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCC[C@@H](n3cccn3)C2)c1O ZINC000370175157 428152861 /nfs/dbraw/zinc/15/28/61/428152861.db2.gz LGVGZPGTHNSWPI-OAHLLOKOSA-N 1 1 317.364 2.768 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H](n3cccn3)C2)c1O ZINC000370175157 428152865 /nfs/dbraw/zinc/15/28/65/428152865.db2.gz LGVGZPGTHNSWPI-OAHLLOKOSA-N 1 1 317.364 2.768 20 10 DFCDMO COc1ccc(N2CCC([N@@H+](C)CCC(C)(C)O)CC2)cc1 ZINC000370161573 428148919 /nfs/dbraw/zinc/14/89/19/428148919.db2.gz KTTKFQBYGSGSIU-UHFFFAOYSA-N 1 1 306.450 2.757 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(F)cc1O ZINC000371835252 428406641 /nfs/dbraw/zinc/40/66/41/428406641.db2.gz RRDKOGVDJBKSMA-XKQJLSEDSA-N 1 1 322.424 2.825 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598405 428470665 /nfs/dbraw/zinc/47/06/65/428470665.db2.gz GYCGNXJJESCGSJ-ZIAGYGMSSA-N 1 1 315.417 2.760 20 10 DFCDMO O=C(Nc1ccccn1)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000372979814 428510092 /nfs/dbraw/zinc/51/00/92/428510092.db2.gz UTYBXAKDRIXAFJ-HNNXBMFYSA-N 1 1 311.385 2.638 20 10 DFCDMO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000373112600 428517441 /nfs/dbraw/zinc/51/74/41/428517441.db2.gz MRZUVMBOUSMYPK-IIAWOOMASA-N 1 1 322.424 2.605 20 10 DFCDMO C[C@@H]1CN(C[C@H]2CCC[N@H+]2Cc2cccc(F)c2O)C[C@@H](C)O1 ZINC000373112600 428517447 /nfs/dbraw/zinc/51/74/47/428517447.db2.gz MRZUVMBOUSMYPK-IIAWOOMASA-N 1 1 322.424 2.605 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484350 428588933 /nfs/dbraw/zinc/58/89/33/428588933.db2.gz XLDISHDFOGNBEB-MAUKXSAKSA-N 1 1 321.417 2.561 20 10 DFCDMO NC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738114 428645259 /nfs/dbraw/zinc/64/52/59/428645259.db2.gz NFPBDAFAUPERTA-XUWXXGDYSA-N 1 1 310.397 2.631 20 10 DFCDMO C[C@@H]1C[C@@]2(CCO1)C[N@H+](Cc1cc(F)ccc1O)C[C@H](C)O2 ZINC000373979273 428657045 /nfs/dbraw/zinc/65/70/45/428657045.db2.gz WDZFPLGGDDAATK-IGCXYCKISA-N 1 1 309.381 2.690 20 10 DFCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000374014463 428660794 /nfs/dbraw/zinc/66/07/94/428660794.db2.gz OBRJUSJFVFVPDK-MDZRGWNJSA-N 1 1 318.461 2.911 20 10 DFCDMO CN(C)c1ccc(C[N@@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)cc1F ZINC000362617352 428794629 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CCOC(=O)[C@@H](CC)[N@@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000191658699 276285067 /nfs/dbraw/zinc/28/50/67/276285067.db2.gz YGFHNQLDJZELAW-CQSZACIVSA-N 1 1 307.390 2.707 20 10 DFCDMO CC[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CCCC1 ZINC000297826205 276313887 /nfs/dbraw/zinc/31/38/87/276313887.db2.gz JNWCXWDYMLKEAX-UHFFFAOYSA-N 1 1 303.450 2.633 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000289681315 276375174 /nfs/dbraw/zinc/37/51/74/276375174.db2.gz FAPBGAPYEKLBMG-RHSMWYFYSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@H]2C)c1 ZINC000289681315 276375175 /nfs/dbraw/zinc/37/51/75/276375175.db2.gz FAPBGAPYEKLBMG-RHSMWYFYSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000367703997 429703654 /nfs/dbraw/zinc/70/36/54/429703654.db2.gz OEPVCZMHXZOQFG-CYBMUJFWSA-N 1 1 301.390 2.514 20 10 DFCDMO C[C@@H]([NH2+][C@H]1CCCN(c2ccncn2)C1)c1ccc(F)cc1O ZINC000368333221 429831249 /nfs/dbraw/zinc/83/12/49/429831249.db2.gz QFQRLHJUJNHSJQ-OCCSQVGLSA-N 1 1 316.380 2.641 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@H](N2CCN(CC)CC2)C1 ZINC000368795010 429894374 /nfs/dbraw/zinc/89/43/74/429894374.db2.gz DHCCBGLNVYDVPH-AEFFLSMTSA-N 1 1 317.477 2.555 20 10 DFCDMO Cc1ncccc1O[C@@H]1CC[N@H+](Cc2cccc(F)c2O)C1 ZINC000368978019 429905710 /nfs/dbraw/zinc/90/57/10/429905710.db2.gz NKFIZQLINPKUOR-CQSZACIVSA-N 1 1 302.349 2.888 20 10 DFCDMO Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000368978019 429905712 /nfs/dbraw/zinc/90/57/12/429905712.db2.gz NKFIZQLINPKUOR-CQSZACIVSA-N 1 1 302.349 2.888 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](c3ccnn3C)C2)c1 ZINC000368587982 429873495 /nfs/dbraw/zinc/87/34/95/429873495.db2.gz FGXUCMNPFYDNLY-ZDUSSCGKSA-N 1 1 301.390 2.514 20 10 DFCDMO COc1cccc(C[N@@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000092785757 278010279 /nfs/dbraw/zinc/01/02/79/278010279.db2.gz CINDJUSIFLJZBY-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO COc1cccc(C[N@H+]2CCCC[C@H](N3CCCC3)C2)c1O ZINC000092785757 278010281 /nfs/dbraw/zinc/01/02/81/278010281.db2.gz CINDJUSIFLJZBY-INIZCTEOSA-N 1 1 304.434 2.851 20 10 DFCDMO C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1Cc1ccccc1O ZINC000290609426 280104995 /nfs/dbraw/zinc/10/49/95/280104995.db2.gz WJHWMTLJLZBGMD-JSGCOSHPSA-N 1 1 306.406 2.880 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795013 280219076 /nfs/dbraw/zinc/21/90/76/280219076.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 1 1 317.477 2.555 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](N2CCN(CC)CC2)C1 ZINC000368795013 280219077 /nfs/dbraw/zinc/21/90/77/280219077.db2.gz DHCCBGLNVYDVPH-WMZOPIPTSA-N 1 1 317.477 2.555 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191734939 281216879 /nfs/dbraw/zinc/21/68/79/281216879.db2.gz KSCJRCDKNCGDGS-OAHLLOKOSA-N 1 1 303.431 2.724 20 10 DFCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@@H](C)[S@@]1=O ZINC000293699054 335112430 /nfs/dbraw/zinc/11/24/30/335112430.db2.gz WYKGCQULKPIBLC-NVAPDCRFSA-N 1 1 308.491 2.792 20 10 DFCDMO 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COc1ccc(O)c(C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000289388158 131381631 /nfs/dbraw/zinc/38/16/31/131381631.db2.gz NGZYUFRMTIUAHX-UHFFFAOYSA-N 1 1 316.357 2.984 20 10 DFCDMO CN(C)[C@]1(C[NH2+]Cc2cc(Cl)c(F)cc2O)CCSC1 ZINC000293708335 131761372 /nfs/dbraw/zinc/76/13/72/131761372.db2.gz UMEYISHXQVPMIJ-AWEZNQCLSA-N 1 1 318.845 2.712 20 10 DFCDMO CC[N@H+]1CCCC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000104136371 425958106 /nfs/dbraw/zinc/95/81/06/425958106.db2.gz ISZCPHSNJQLFHI-QGZVFWFLSA-N 1 1 303.450 2.585 20 10 DFCDMO Oc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCCCO1 ZINC000070976670 425979458 /nfs/dbraw/zinc/97/94/58/425979458.db2.gz WBXBFOHMJHBCLA-IRXDYDNUSA-N 1 1 305.418 2.942 20 10 DFCDMO C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1O ZINC000109768891 426032666 /nfs/dbraw/zinc/03/26/66/426032666.db2.gz CPNYRMNCKWGCNA-QLFBSQMISA-N 1 1 304.434 2.717 20 10 DFCDMO Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2O)c(C)c1 ZINC000111234994 426039171 /nfs/dbraw/zinc/03/91/71/426039171.db2.gz UXAZLGVJOKBUTL-KRWDZBQOSA-N 1 1 315.413 2.881 20 10 DFCDMO C[N@@H+](Cc1ccccc1O)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000112347742 426073349 /nfs/dbraw/zinc/07/33/49/426073349.db2.gz FMOGMEKGPYWYAM-MRXNPFEDSA-N 1 1 314.360 2.769 20 10 DFCDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000134142582 426184890 /nfs/dbraw/zinc/18/48/90/426184890.db2.gz LSYIUKPXMZUPFI-OAHLLOKOSA-N 1 1 319.449 2.512 20 10 DFCDMO C[N@@H+](CCOCc1ccccc1)Cc1cc2c(cc1O)OCO2 ZINC000151393153 426293457 /nfs/dbraw/zinc/29/34/57/426293457.db2.gz TXRKEFICODKSJW-UHFFFAOYSA-N 1 1 315.369 2.770 20 10 DFCDMO Cc1ccc(O)c(C[N@H+](C)[C@H]2CCCN(c3cccnn3)C2)c1 ZINC000120244823 426308104 /nfs/dbraw/zinc/30/81/04/426308104.db2.gz MKHLPVHQYIDXDO-INIZCTEOSA-N 1 1 312.417 2.591 20 10 DFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000093505955 426356909 /nfs/dbraw/zinc/35/69/09/426356909.db2.gz CGFABKXOSLAWDW-IEBWSBKVSA-N 1 1 316.445 2.524 20 10 DFCDMO Cc1ccc(O)c(C[NH+]2CCN([C@H](C)C(F)(F)F)CC2)c1 ZINC000093883581 426359368 /nfs/dbraw/zinc/35/93/68/426359368.db2.gz ODIZCPJSWVYIKY-GFCCVEGCSA-N 1 1 302.340 2.769 20 10 DFCDMO CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000153994678 426416674 /nfs/dbraw/zinc/41/66/74/426416674.db2.gz USKZYCDGEVRYLY-LLVKDONJSA-N 1 1 312.797 2.756 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1 ZINC000123743552 426451706 /nfs/dbraw/zinc/45/17/06/426451706.db2.gz YWGGVERECUYGOD-OCCSQVGLSA-N 1 1 319.323 2.679 20 10 DFCDMO CCCOc1ccc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)c(O)c1 ZINC000280300628 426543444 /nfs/dbraw/zinc/54/34/44/426543444.db2.gz OWMJMOBTBCZUBL-KSSFIOAISA-N 1 1 321.417 2.561 20 10 DFCDMO CC[C@]1(CO)CCC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000187624063 426678495 /nfs/dbraw/zinc/67/84/95/426678495.db2.gz CFZRFAYUGCUIKL-KRWDZBQOSA-N 1 1 309.381 2.718 20 10 DFCDMO CCOc1cccc(C[N@@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1O ZINC000289985426 426679157 /nfs/dbraw/zinc/67/91/57/426679157.db2.gz ZYFRRDXHHUVYPH-QENPMARHSA-N 1 1 311.447 2.522 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[S@@](=O)[C@@H](CC)C2)c1O ZINC000289985426 426679161 /nfs/dbraw/zinc/67/91/61/426679161.db2.gz ZYFRRDXHHUVYPH-QENPMARHSA-N 1 1 311.447 2.522 20 10 DFCDMO COc1cc(O)c(C[NH2+]Cc2noc3c2CCCC3)cc1OC ZINC000290155230 426705217 /nfs/dbraw/zinc/70/52/17/426705217.db2.gz LLQOLXQHCKITSO-UHFFFAOYSA-N 1 1 318.373 2.566 20 10 DFCDMO Cc1ccc(N2CCC(C(=O)Nc3ccc(N)cc3)CC2)[nH+]c1 ZINC000237618779 426693780 /nfs/dbraw/zinc/69/37/80/426693780.db2.gz HBUDGESXCYKEMC-UHFFFAOYSA-N 1 1 310.401 2.827 20 10 DFCDMO CCCc1[nH+]ccn1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000178776850 426694590 /nfs/dbraw/zinc/69/45/90/426694590.db2.gz KQJPLMPLGRKZHN-UHFFFAOYSA-N 1 1 314.433 2.560 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245843501 426773829 /nfs/dbraw/zinc/77/38/29/426773829.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 1 1 316.445 2.850 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)c1 ZINC000245843501 426773834 /nfs/dbraw/zinc/77/38/34/426773834.db2.gz KNMSWPAPCBXUAW-KBXCAEBGSA-N 1 1 316.445 2.850 20 10 DFCDMO COc1ccc(N2CCC[N@H+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000245625869 426756986 /nfs/dbraw/zinc/75/69/86/426756986.db2.gz OYZRDNLZJNITOJ-QZTJIDSGSA-N 1 1 304.434 2.511 20 10 DFCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000179558280 426802745 /nfs/dbraw/zinc/80/27/45/426802745.db2.gz DQMOCZLRBFMBHI-OAHLLOKOSA-N 1 1 308.385 2.815 20 10 DFCDMO Cc1cccc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1O ZINC000179676655 426811449 /nfs/dbraw/zinc/81/14/49/426811449.db2.gz QNFGYVAMKUFOSQ-UHFFFAOYSA-N 1 1 302.340 2.771 20 10 DFCDMO CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000180017315 426831348 /nfs/dbraw/zinc/83/13/48/426831348.db2.gz LRJSEPGCVQASJY-ZDUSSCGKSA-N 1 1 308.397 2.660 20 10 DFCDMO CC[N@@H+](CCOCCO)Cc1ccc(N2CCCCC2)cc1 ZINC000282712869 426920906 /nfs/dbraw/zinc/92/09/06/426920906.db2.gz KUNGFHYSKPJMEG-UHFFFAOYSA-N 1 1 306.450 2.508 20 10 DFCDMO CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000291012191 426872111 /nfs/dbraw/zinc/87/21/11/426872111.db2.gz VAINMXOAFCKVKN-AWEZNQCLSA-N 1 1 307.438 2.654 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)c1O ZINC000290957403 426872286 /nfs/dbraw/zinc/87/22/86/426872286.db2.gz RGSJWPFFTHYGSG-OAHLLOKOSA-N 1 1 301.390 2.743 20 10 DFCDMO OC[C@]1([NH2+]Cc2cccc(F)c2O)CCCc2ccccc21 ZINC000282424004 426909515 /nfs/dbraw/zinc/90/95/15/426909515.db2.gz SUNQLGSTSDDNHG-GOSISDBHSA-N 1 1 301.361 2.845 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1OC ZINC000292107127 427090104 /nfs/dbraw/zinc/09/01/04/427090104.db2.gz PVZRADFRWGUJES-LSDHHAIUSA-N 1 1 313.344 2.887 20 10 DFCDMO O=C1[C@@H]([NH2+]Cc2cccc(F)c2O)CCCN1C1CCCCC1 ZINC000276711545 427119096 /nfs/dbraw/zinc/11/90/96/427119096.db2.gz GTWZDZPCXPTUSL-INIZCTEOSA-N 1 1 320.408 2.945 20 10 DFCDMO C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N(C)Cc1ccccc1O ZINC000249785934 427146666 /nfs/dbraw/zinc/14/66/66/427146666.db2.gz RPQWJVXJLKXJQL-GJZGRUSLSA-N 1 1 319.449 2.654 20 10 DFCDMO COc1cc(Cl)cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1O ZINC000292803907 427202067 /nfs/dbraw/zinc/20/20/67/427202067.db2.gz NWUBQNVBBKVHNB-INIZCTEOSA-N 1 1 310.825 2.582 20 10 DFCDMO CC(=O)c1cc(F)cc(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1O ZINC000296789876 427235599 /nfs/dbraw/zinc/23/55/99/427235599.db2.gz SRJFBDKLVIOJNC-LBPRGKRZSA-N 1 1 320.408 2.650 20 10 DFCDMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000183379710 427257920 /nfs/dbraw/zinc/25/79/20/427257920.db2.gz XOXCEGCJOSEVGG-ZDUSSCGKSA-N 1 1 310.825 2.702 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)OCCCO2 ZINC000293583941 427369941 /nfs/dbraw/zinc/36/99/41/427369941.db2.gz HYASNWGUEWWDJX-UHFFFAOYSA-N 1 1 315.772 2.914 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2cc(F)ccc2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278132378 427412875 /nfs/dbraw/zinc/41/28/75/427412875.db2.gz CIPDADJDNMCJNT-FZMZJTMJSA-N 1 1 324.396 2.876 20 10 DFCDMO COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278783089 427450257 /nfs/dbraw/zinc/45/02/57/427450257.db2.gz PZSVDOLJKQQBAS-DTWKUNHWSA-N 1 1 308.205 2.747 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+]CCCN2CCCO[C@@H](C)C2)c(O)c1 ZINC000278789105 427453108 /nfs/dbraw/zinc/45/31/08/427453108.db2.gz YQKIPCXGWDOZOP-JKSUJKDBSA-N 1 1 306.450 2.852 20 10 DFCDMO C[C@H](c1cnccn1)[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000184412428 427454845 /nfs/dbraw/zinc/45/48/45/427454845.db2.gz LHPLRMYFDRHBJI-OAHLLOKOSA-N 1 1 312.417 2.506 20 10 DFCDMO CCN(C)C(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278837334 427469775 /nfs/dbraw/zinc/46/97/75/427469775.db2.gz UOLKSEGPUKJLMA-MRVPVSSYSA-N 1 1 305.205 2.828 20 10 DFCDMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000271259760 427470956 /nfs/dbraw/zinc/47/09/56/427470956.db2.gz JJAIVMFMNNSXNN-CQSZACIVSA-N 1 1 306.406 2.833 20 10 DFCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000271273046 427477526 /nfs/dbraw/zinc/47/75/26/427477526.db2.gz KEHCVQGKZIJGKU-LBPRGKRZSA-N 1 1 306.797 2.549 20 10 DFCDMO Oc1cccc(Cl)c1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000271273045 427477980 /nfs/dbraw/zinc/47/79/80/427477980.db2.gz KEHCVQGKZIJGKU-GFCCVEGCSA-N 1 1 306.797 2.549 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000278166031 427425641 /nfs/dbraw/zinc/42/56/41/427425641.db2.gz FEXZGDJMBXNNAX-UWVGGRQHSA-N 1 1 312.391 2.635 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000278306541 427427944 /nfs/dbraw/zinc/42/79/44/427427944.db2.gz DUWSBRSBHXQRKD-IINYFYTJSA-N 1 1 319.323 2.536 20 10 DFCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000278315815 427428453 /nfs/dbraw/zinc/42/84/53/427428453.db2.gz FOZHIFFKLHTFDA-TVQRCGJNSA-N 1 1 307.287 2.667 20 10 DFCDMO Oc1ccccc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278395261 427429669 /nfs/dbraw/zinc/42/96/69/427429669.db2.gz AYGNNQUBRQGFIT-CQSZACIVSA-N 1 1 302.349 2.970 20 10 DFCDMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325691 427431119 /nfs/dbraw/zinc/43/11/19/427431119.db2.gz GORBUXQHYNWTPT-RISCZKNCSA-N 1 1 324.396 2.876 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@@H]1NC(=O)OC(C)(C)C ZINC000278325691 427431122 /nfs/dbraw/zinc/43/11/22/427431122.db2.gz GORBUXQHYNWTPT-RISCZKNCSA-N 1 1 324.396 2.876 20 10 DFCDMO CCOCCO[C@H]1CC[N@@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000293813576 427444299 /nfs/dbraw/zinc/44/42/99/427444299.db2.gz OJDDYQNPARSHAN-KRWDZBQOSA-N 1 1 306.450 2.688 20 10 DFCDMO C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(Cl)c1O ZINC000278676380 427445938 /nfs/dbraw/zinc/44/59/38/427445938.db2.gz NPYNYZOBDWFXDX-ZDUSSCGKSA-N 1 1 324.852 2.731 20 10 DFCDMO C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(Cl)c1O ZINC000278676380 427445941 /nfs/dbraw/zinc/44/59/41/427445941.db2.gz NPYNYZOBDWFXDX-ZDUSSCGKSA-N 1 1 324.852 2.731 20 10 DFCDMO COc1cc(Cl)cc(C[N@H+]2CC[C@@H](c3cnn(C)c3)C2)c1O ZINC000184696089 427521121 /nfs/dbraw/zinc/52/11/21/427521121.db2.gz NCCMPQIGRUYQAD-LLVKDONJSA-N 1 1 321.808 2.777 20 10 DFCDMO C[C@H]([NH2+]CCCN1C[C@@H](C)O[C@H](C)C1)c1ccc(F)cc1O ZINC000184914374 427563075 /nfs/dbraw/zinc/56/30/75/427563075.db2.gz QHBPIQSKLPJGDC-MCIONIFRSA-N 1 1 310.413 2.681 20 10 DFCDMO CCCNC(=O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000192608611 427572918 /nfs/dbraw/zinc/57/29/18/427572918.db2.gz HIMYVSDSDNKDCW-MRVPVSSYSA-N 1 1 305.205 2.876 20 10 DFCDMO Cc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccccc2)c1O ZINC000271734303 427583639 /nfs/dbraw/zinc/58/36/39/427583639.db2.gz OCWRYGLOPGDIME-SFHVURJKSA-N 1 1 315.413 2.710 20 10 DFCDMO Cc1cccc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271753450 427585407 /nfs/dbraw/zinc/58/54/07/427585407.db2.gz CGUJSEDDNPKLJA-UHFFFAOYSA-N 1 1 319.426 2.736 20 10 DFCDMO Cc1cccc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271753450 427585415 /nfs/dbraw/zinc/58/54/15/427585415.db2.gz CGUJSEDDNPKLJA-UHFFFAOYSA-N 1 1 319.426 2.736 20 10 DFCDMO COc1ccc(O)c(C[NH2+]Cc2nnc(C(C)(C)C)s2)c1 ZINC000271867107 427592894 /nfs/dbraw/zinc/59/28/94/427592894.db2.gz WJNAGHZARFCLAL-UHFFFAOYSA-N 1 1 307.419 2.840 20 10 DFCDMO COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1O ZINC000185097654 427597150 /nfs/dbraw/zinc/59/71/50/427597150.db2.gz IBDKNLMZWBPUHO-MEDUHNTESA-N 1 1 305.349 2.924 20 10 DFCDMO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(F)cc2O)c1 ZINC000185418928 427648323 /nfs/dbraw/zinc/64/83/23/427648323.db2.gz PHBUEEMFGGXXNW-GTNSWQLSSA-N 1 1 305.349 2.924 20 10 DFCDMO CC(C)(C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1)C(N)=O ZINC000294751200 427650988 /nfs/dbraw/zinc/65/09/88/427650988.db2.gz IESNTAMAWGXKMK-GFCCVEGCSA-N 1 1 308.397 2.645 20 10 DFCDMO CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1 ZINC000294792278 427659395 /nfs/dbraw/zinc/65/93/95/427659395.db2.gz MAVJOWKAWGLGIA-NSHDSACASA-N 1 1 312.797 2.708 20 10 DFCDMO COC[C@@H]1CC[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295032500 427668594 /nfs/dbraw/zinc/66/85/94/427668594.db2.gz NFSXOKAGUWOSHA-QGZVFWFLSA-N 1 1 318.461 2.770 20 10 DFCDMO COc1c(O)c(C[NH2+]CC2(SC)CCC2)ccc1[N+](=O)[O-] ZINC000279483803 427683216 /nfs/dbraw/zinc/68/32/16/427683216.db2.gz XBYHHINSCXDGNL-UHFFFAOYSA-N 1 1 312.391 2.684 20 10 DFCDMO 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CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(F)ccc1O ZINC000283001271 426937686 /nfs/dbraw/zinc/93/76/86/426937686.db2.gz KRLAWSDYRAENNS-UHFFFAOYSA-N 1 1 322.405 2.731 20 10 DFCDMO CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1cc(F)ccc1O ZINC000283001271 426937694 /nfs/dbraw/zinc/93/76/94/426937694.db2.gz KRLAWSDYRAENNS-UHFFFAOYSA-N 1 1 322.405 2.731 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551798 427002422 /nfs/dbraw/zinc/00/24/22/427002422.db2.gz PLOITOKNOLZOQC-SFHVURJKSA-N 1 1 318.461 2.913 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)c1O ZINC000248815532 427044788 /nfs/dbraw/zinc/04/47/88/427044788.db2.gz IIZYAVGGWSQRRI-BJJXKVORSA-N 1 1 319.401 2.564 20 10 DFCDMO CO[C@@H]1CC[N@@H+](Cc2cc(F)cc(C(C)=O)c2O)CC1(C)C ZINC000296027273 427048743 /nfs/dbraw/zinc/04/87/43/427048743.db2.gz NJKYZGFKNJQIIH-OAHLLOKOSA-N 1 1 309.381 2.981 20 10 DFCDMO CO[C@H]1C[C@@H](c2nc(C)no2)[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000248979311 427070369 /nfs/dbraw/zinc/07/03/69/427070369.db2.gz 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DFCDMO CC[C@H]([NH2+][C@@H](C)[C@@H](C)N1CCOCC1)c1ccc(F)cc1O ZINC000285978743 427389975 /nfs/dbraw/zinc/38/99/75/427389975.db2.gz HMMHHKTTWUNMNI-ZENOOKHLSA-N 1 1 310.413 2.681 20 10 DFCDMO COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000271058988 427391880 /nfs/dbraw/zinc/39/18/80/427391880.db2.gz BTBWVWBFNKCBFO-MRXNPFEDSA-N 1 1 302.418 2.672 20 10 DFCDMO CC[N@@H+](Cc1ccc(N2CCC(OC)CC2)cc1)CC(C)(C)O ZINC000270780925 427366870 /nfs/dbraw/zinc/36/68/70/427366870.db2.gz OQTMQPWCUDQGHK-UHFFFAOYSA-N 1 1 320.477 2.895 20 10 DFCDMO COc1c(O)c(C[NH2+]CCC[C@@H]2CCCCO2)ccc1[N+](=O)[O-] ZINC000278468430 427439369 /nfs/dbraw/zinc/43/93/69/427439369.db2.gz GPTKUVCVPLKTFH-ZDUSSCGKSA-N 1 1 324.377 2.748 20 10 DFCDMO COc1c(O)c(C[N@@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278443817 427440015 /nfs/dbraw/zinc/44/00/15/427440015.db2.gz WLTMXQVULLRZII-JTQLQIEISA-N 1 1 312.391 2.636 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCS[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000278443817 427440020 /nfs/dbraw/zinc/44/00/20/427440020.db2.gz WLTMXQVULLRZII-JTQLQIEISA-N 1 1 312.391 2.636 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 ZINC000278424619 427440341 /nfs/dbraw/zinc/44/03/41/427440341.db2.gz SENXBLARTHWQAA-ZFWWWQNUSA-N 1 1 316.367 2.888 20 10 DFCDMO Cc1c(-c2cc(C[N@@H+](C)Cc3ccccc3O)on2)cnn1C ZINC000184654724 427510505 /nfs/dbraw/zinc/51/05/05/427510505.db2.gz IVSPXPDDPIWHAM-UHFFFAOYSA-N 1 1 312.373 2.721 20 10 DFCDMO Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000263647534 427531543 /nfs/dbraw/zinc/53/15/43/427531543.db2.gz CCDVWJHBYULVLX-UHFFFAOYSA-N 1 1 324.768 2.639 20 10 DFCDMO C[C@H]([NH2+]CCC(=O)N1CCCCCC1)c1ccc(F)cc1O ZINC000185251482 427620507 /nfs/dbraw/zinc/62/05/07/427620507.db2.gz GYPHLNSXYIYDOD-ZDUSSCGKSA-N 1 1 308.397 2.975 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000294459535 427642310 /nfs/dbraw/zinc/64/23/10/427642310.db2.gz YUCVKHSYVHPSJF-OCCSQVGLSA-N 1 1 317.813 2.891 20 10 DFCDMO 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/nfs/dbraw/zinc/03/27/24/524032724.db2.gz OQXLTQNVVRPSLU-LJQANCHMSA-N 1 1 318.461 2.914 20 10 DFCDMO COc1ccc(O)c(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000180218286 524733579 /nfs/dbraw/zinc/73/35/79/524733579.db2.gz OAVWFQIURGWYKZ-GFCCVEGCSA-N 1 1 324.421 2.746 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000179975037 524742689 /nfs/dbraw/zinc/74/26/89/524742689.db2.gz SEDVCBUOEQZRGW-OAHLLOKOSA-N 1 1 320.414 2.739 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)c1 ZINC000179975037 524742696 /nfs/dbraw/zinc/74/26/96/524742696.db2.gz SEDVCBUOEQZRGW-OAHLLOKOSA-N 1 1 320.414 2.739 20 10 DFCDMO COc1cccc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)c1O ZINC000181923704 525948757 /nfs/dbraw/zinc/94/87/57/525948757.db2.gz LPVZRJQLNBNGBV-KRWDZBQOSA-N 1 1 313.397 2.844 20 10 DFCDMO [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000368436704 526347208 /nfs/dbraw/zinc/34/72/08/526347208.db2.gz ZKVKZUMTGMXGPK-JTQLQIEISA-N 1 1 309.772 2.733 20 10 DFCDMO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)C1CCC1 ZINC000158111094 527025359 /nfs/dbraw/zinc/02/53/59/527025359.db2.gz UXIYZPIZDBYOBR-HNNXBMFYSA-N 1 1 322.836 2.926 20 10 DFCDMO Cn1cc([C@H]2CSCC[N@@H+]2Cc2cc(F)ccc2O)cn1 ZINC000191735108 527321757 /nfs/dbraw/zinc/32/17/57/527321757.db2.gz RDROGRVOQCNXFW-CQSZACIVSA-N 1 1 307.394 2.555 20 10 DFCDMO Cn1cc([C@H]2CSCC[N@H+]2Cc2cc(F)ccc2O)cn1 ZINC000191735108 527321763 /nfs/dbraw/zinc/32/17/63/527321763.db2.gz RDROGRVOQCNXFW-CQSZACIVSA-N 1 1 307.394 2.555 20 10 DFCDMO CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000092707917 185335547 /nfs/dbraw/zinc/33/55/47/185335547.db2.gz FIVBMYBTIOVKAW-OAHLLOKOSA-N 1 1 304.434 2.829 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2CN2CCCC2=O)cc1C ZINC000093362785 398634302 /nfs/dbraw/zinc/63/43/02/398634302.db2.gz DJJQQPJZSQOCFB-KRWDZBQOSA-N 1 1 316.445 2.986 20 10 DFCDMO COC(=O)CCC[N@@H+](C)C1CCN(c2ccc(OC)cc2)CC1 ZINC000072801158 398637959 /nfs/dbraw/zinc/63/79/59/398637959.db2.gz FTTARJOUOPIZKV-UHFFFAOYSA-N 1 1 320.433 2.549 20 10 DFCDMO CNC(=O)[C@@H](C)C[N@@H+](C)Cc1cc(-c2ccccc2)ccc1O ZINC000093898997 398650292 /nfs/dbraw/zinc/65/02/92/398650292.db2.gz NILRZWRTBPENHP-AWEZNQCLSA-N 1 1 312.413 2.873 20 10 DFCDMO COc1ccc([C@@H](CO)[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415236 193246839 /nfs/dbraw/zinc/24/68/39/193246839.db2.gz FANNISBHTKCQQS-LJQANCHMSA-N 1 1 314.429 2.927 20 10 DFCDMO CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)Cc2ccccc2O)C1 ZINC000105275050 194091470 /nfs/dbraw/zinc/09/14/70/194091470.db2.gz OIVUZABFUUTZMH-OAHLLOKOSA-N 1 1 319.449 2.654 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cccnc2)c1 ZINC000273421183 130119304 /nfs/dbraw/zinc/11/93/04/130119304.db2.gz SEFJERJEJBDOSX-RYUDHWBXSA-N 1 1 300.358 2.986 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2cccnc2)c1 ZINC000273421188 130119562 /nfs/dbraw/zinc/11/95/62/130119562.db2.gz SEFJERJEJBDOSX-VXGBXAGGSA-N 1 1 300.358 2.986 20 10 DFCDMO CC[C@@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)N1CCCC1 ZINC000273444822 130122970 /nfs/dbraw/zinc/12/29/70/130122970.db2.gz ZTDWYQQKTZMZJJ-ZFWWWQNUSA-N 1 1 320.433 2.704 20 10 DFCDMO Cc1nc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)n[nH]1 ZINC000273500277 130128963 /nfs/dbraw/zinc/12/89/63/130128963.db2.gz YPSVFEWJKJGJID-LLVKDONJSA-N 1 1 300.406 2.591 20 10 DFCDMO Cc1nnc(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)[nH]1 ZINC000273500277 130128964 /nfs/dbraw/zinc/12/89/64/130128964.db2.gz YPSVFEWJKJGJID-LLVKDONJSA-N 1 1 300.406 2.591 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)c1 ZINC000273554444 130134743 /nfs/dbraw/zinc/13/47/43/130134743.db2.gz GMMXGUDESFJRNZ-YPMHNXCESA-N 1 1 309.406 2.627 20 10 DFCDMO C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc2ccccc2c1[O-] ZINC000273595926 130141426 /nfs/dbraw/zinc/14/14/26/130141426.db2.gz QOWHBIVFPPMKND-AWEZNQCLSA-N 1 1 314.429 2.653 20 10 DFCDMO Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608689 130142803 /nfs/dbraw/zinc/14/28/03/130142803.db2.gz VBNKTLUOVDOOJP-GFCCVEGCSA-N 1 1 318.377 2.936 20 10 DFCDMO COc1cc(Cl)cc(C[NH2+][C@H]2CCCc3c[nH]nc32)c1O ZINC000273811698 130171004 /nfs/dbraw/zinc/17/10/04/130171004.db2.gz ZBFFALUOLZZEOT-LBPRGKRZSA-N 1 1 307.781 2.945 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCN2CCN(C)CC2)c(O)c1C ZINC000274659104 130252734 /nfs/dbraw/zinc/25/27/34/130252734.db2.gz VGUIOTVASGWLKG-NVXWUHKLSA-N 1 1 319.493 2.686 20 10 DFCDMO COC(=O)c1ccc(O)c([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)c1 ZINC000274807570 130264390 /nfs/dbraw/zinc/26/43/90/130264390.db2.gz XBRLBJYOBRRQFZ-ABAIWWIYSA-N 1 1 309.406 2.627 20 10 DFCDMO CCCC[N@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000282483204 130924893 /nfs/dbraw/zinc/92/48/93/130924893.db2.gz PBIDPPZVQVAAPC-UHFFFAOYSA-N 1 1 306.385 2.756 20 10 DFCDMO CCCC[N@@H+](Cc1ncnn1CCF)Cc1ccccc1O ZINC000282483204 130924895 /nfs/dbraw/zinc/92/48/95/130924895.db2.gz PBIDPPZVQVAAPC-UHFFFAOYSA-N 1 1 306.385 2.756 20 10 DFCDMO CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000283671832 131012374 /nfs/dbraw/zinc/01/23/74/131012374.db2.gz GGTOKQNNVZJCCD-INIZCTEOSA-N 1 1 319.449 2.798 20 10 DFCDMO CC[C@H]([NH2+]C[C@@H](C)CN1CCOCC1)c1ccc(F)cc1O ZINC000285954011 131212822 /nfs/dbraw/zinc/21/28/22/131212822.db2.gz GIKYEEDEBYYLDE-CJNGLKHVSA-N 1 1 310.413 2.540 20 10 DFCDMO CC[C@H]([NH2+]CC1CCN(C(C)=O)CC1)c1ccc(F)cc1O ZINC000286032029 131216199 /nfs/dbraw/zinc/21/61/99/131216199.db2.gz KEVSPMDEHJYVAX-INIZCTEOSA-N 1 1 308.397 2.831 20 10 DFCDMO CC[C@@H]([NH2+]C1CCN(CCOC)CC1)c1ccc(F)cc1O ZINC000286267504 131227272 /nfs/dbraw/zinc/22/72/72/131227272.db2.gz VFXPQHUNDHUGKW-MRXNPFEDSA-N 1 1 310.413 2.683 20 10 DFCDMO CC[C@H]([NH2+]CCCCCS(C)(=O)=O)c1ccc(F)cc1O ZINC000287359786 131277291 /nfs/dbraw/zinc/27/72/91/131277291.db2.gz HEPBZZHXYAMQTK-AWEZNQCLSA-N 1 1 317.426 2.787 20 10 DFCDMO CN(C)c1ccccc1C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000288622713 131333471 /nfs/dbraw/zinc/33/34/71/131333471.db2.gz OOFNOFMBAYQJLN-UHFFFAOYSA-N 1 1 314.385 2.819 20 10 DFCDMO CN(C)c1ccc(C[N@@H+]2CC=C(c3ccnn3C)CC2)cc1F ZINC000289361798 131378999 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ZINC000109848602 426033212 /nfs/dbraw/zinc/03/32/12/426033212.db2.gz ZKRYZLUUKIFAJL-MRXNPFEDSA-N 1 1 311.429 2.776 20 10 DFCDMO Cc1ccccc1CN(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235134 426038906 /nfs/dbraw/zinc/03/89/06/426038906.db2.gz WVXSOEBNOAQUMK-UHFFFAOYSA-N 1 1 312.413 2.791 20 10 DFCDMO C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)Cc1ccccc1O ZINC000111235795 426039968 /nfs/dbraw/zinc/03/99/68/426039968.db2.gz KWUCXQXLISVCIH-HOCLYGCPSA-N 1 1 304.434 2.861 20 10 DFCDMO Cc1[nH+]ccn1CCCCNC(=O)N(C)Cc1ccccc1O ZINC000074532918 426053602 /nfs/dbraw/zinc/05/36/02/426053602.db2.gz NFGMGELUVLACAJ-UHFFFAOYSA-N 1 1 316.405 2.519 20 10 DFCDMO CC[C@H]([NH2+]C[C@@H](O)CN1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295654 426288253 /nfs/dbraw/zinc/28/82/53/426288253.db2.gz PPOJMIQTLCGMOT-MOPGFXCFSA-N 1 1 319.493 2.640 20 10 DFCDMO CC[C@H](NC[C@@H](O)C[NH+]1CCCCC1)c1ccc(N(C)C)cc1 ZINC000151295654 426288255 /nfs/dbraw/zinc/28/82/55/426288255.db2.gz PPOJMIQTLCGMOT-MOPGFXCFSA-N 1 1 319.493 2.640 20 10 DFCDMO CCC[N@@H+](CCCS(=O)(=O)C(C)C)Cc1ccccc1O ZINC000119742782 426302852 /nfs/dbraw/zinc/30/28/52/426302852.db2.gz ANDSGYPCVWYGBJ-UHFFFAOYSA-N 1 1 313.463 2.818 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1[O-] ZINC000175582854 426314828 /nfs/dbraw/zinc/31/48/28/426314828.db2.gz OLEDDVIOZDAJET-LBPRGKRZSA-N 1 1 307.365 2.735 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000175582854 426314832 /nfs/dbraw/zinc/31/48/32/426314832.db2.gz OLEDDVIOZDAJET-LBPRGKRZSA-N 1 1 307.365 2.735 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)c1O ZINC000175582854 426314835 /nfs/dbraw/zinc/31/48/35/426314835.db2.gz OLEDDVIOZDAJET-LBPRGKRZSA-N 1 1 307.365 2.735 20 10 DFCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COCc1ccccc1F ZINC000121140730 426322512 /nfs/dbraw/zinc/32/25/12/426322512.db2.gz YXCYCAUSPVBNEM-INIZCTEOSA-N 1 1 319.376 2.541 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC000092075254 426346302 /nfs/dbraw/zinc/34/63/02/426346302.db2.gz 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/nfs/dbraw/zinc/31/65/81/185316581.db2.gz RCJNNSYKYUNYMH-UHFFFAOYSA-N 1 1 303.358 2.747 20 10 DFCDMO COC[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)ccc2O)CCO1 ZINC000093528521 398640568 /nfs/dbraw/zinc/64/05/68/398640568.db2.gz WFWVTHZGNNBDRE-SFHVURJKSA-N 1 1 313.397 2.906 20 10 DFCDMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000074723172 398761934 /nfs/dbraw/zinc/76/19/34/398761934.db2.gz GYJABXHPKSUWTR-QGZVFWFLSA-N 1 1 303.333 2.632 20 10 DFCDMO C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365463 296114714 /nfs/dbraw/zinc/11/47/14/296114714.db2.gz BGILATVOJLNOGA-GFCCVEGCSA-N 1 1 319.405 2.968 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000093016314 193194477 /nfs/dbraw/zinc/19/44/77/193194477.db2.gz QZDDMYSQPLBFJE-UHFFFAOYSA-N 1 1 317.458 2.865 20 10 DFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2ccc(N(C)C)cc2)cc1 ZINC000093415235 193246739 /nfs/dbraw/zinc/24/67/39/193246739.db2.gz FANNISBHTKCQQS-IBGZPJMESA-N 1 1 314.429 2.927 20 10 DFCDMO 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RSJJDAQLIGVZNJ-BMGDILEWSA-N 1 1 318.461 2.729 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CN2CCN(C)CC2)c(O)c1C ZINC000273595807 130141467 /nfs/dbraw/zinc/14/14/67/130141467.db2.gz QLOUJDCCRJJZKR-RHSMWYFYSA-N 1 1 319.493 2.543 20 10 DFCDMO C[C@H](c1nccs1)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000274332074 130227340 /nfs/dbraw/zinc/22/73/40/130227340.db2.gz GBQTWICAVAYVDN-GFCCVEGCSA-N 1 1 321.421 2.867 20 10 DFCDMO COc1c(O)c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278483255 130695424 /nfs/dbraw/zinc/69/54/24/130695424.db2.gz JQVICCKLAJTZFB-JSGCOSHPSA-N 1 1 324.377 2.602 20 10 DFCDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1cccc(F)c1O ZINC000284522123 131088545 /nfs/dbraw/zinc/08/85/45/131088545.db2.gz DXFDLVMSOCDZAS-NUEKZKHPSA-N 1 1 309.381 2.547 20 10 DFCDMO CO[C@@H]1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1cccc(F)c1O ZINC000284522123 131088546 /nfs/dbraw/zinc/08/85/46/131088546.db2.gz DXFDLVMSOCDZAS-NUEKZKHPSA-N 1 1 309.381 2.547 20 10 DFCDMO C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)c1ccc(F)cc1O ZINC000285755664 131199408 /nfs/dbraw/zinc/19/94/08/131199408.db2.gz SGUJOBDRDMJUQX-OWRWGESLSA-N 1 1 308.397 2.875 20 10 DFCDMO CNC(=O)CC[C@H]1CCCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000286342595 131231763 /nfs/dbraw/zinc/23/17/63/131231763.db2.gz GOFKOEDUXHLKEO-QGZVFWFLSA-N 1 1 303.450 2.633 20 10 DFCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc(OC)c1O ZINC000289220692 131366783 /nfs/dbraw/zinc/36/67/83/131366783.db2.gz XMEXJRCSQJSLLF-UHFFFAOYSA-N 1 1 303.358 2.747 20 10 DFCDMO Cc1[nH+]ccn1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298442282 132062690 /nfs/dbraw/zinc/06/26/90/132062690.db2.gz CLWDSKSPXGMSKO-UHFFFAOYSA-N 1 1 314.433 2.695 20 10 DFCDMO C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccccc2O)C1 ZINC000299506198 132108684 /nfs/dbraw/zinc/10/86/84/132108684.db2.gz MSEDGFHSBXUYQJ-OAHLLOKOSA-N 1 1 319.449 2.704 20 10 DFCDMO CC[C@H](C)[N@H+](C)CCNCc1cc(Cl)cc(OC)c1O ZINC000230934338 542893461 /nfs/dbraw/zinc/89/34/61/542893461.db2.gz IHOIGBPZHNSJIM-NSHDSACASA-N 1 1 300.830 2.874 20 10 DFCDMO CC[C@H](C)[N@@H+](C)CCNCc1cc(Cl)cc(OC)c1O ZINC000230934338 542893463 /nfs/dbraw/zinc/89/34/63/542893463.db2.gz IHOIGBPZHNSJIM-NSHDSACASA-N 1 1 300.830 2.874 20 10 DFCDMO Cc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)c2ccccc2NC3=O)c1 ZINC000364450670 292164442 /nfs/dbraw/zinc/16/44/42/292164442.db2.gz WMDNMZXHDBMFSA-LJQANCHMSA-N 1 1 308.381 2.796 20 10 DFCDMO Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000066652531 425905656 /nfs/dbraw/zinc/90/56/56/425905656.db2.gz BJWBYCKLOADJJC-CQSZACIVSA-N 1 1 317.458 2.837 20 10 DFCDMO Cc1cc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)c(F)c2)on1 ZINC000125694457 425985973 /nfs/dbraw/zinc/98/59/73/425985973.db2.gz WBDUMWMZUHSKRS-ZDUSSCGKSA-N 1 1 319.380 2.810 20 10 DFCDMO C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1O ZINC000109768897 426032527 /nfs/dbraw/zinc/03/25/27/426032527.db2.gz CPNYRMNCKWGCNA-RBSFLKMASA-N 1 1 304.434 2.717 20 10 DFCDMO C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000109768901 426032562 /nfs/dbraw/zinc/03/25/62/426032562.db2.gz UUFRWSXUKVITPV-FMKPAKJESA-N 1 1 304.434 2.907 20 10 DFCDMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)Cc1ccccc1O ZINC000077644848 426141503 /nfs/dbraw/zinc/14/15/03/426141503.db2.gz KBPZIJKCJGVVBG-MRXNPFEDSA-N 1 1 319.449 2.798 20 10 DFCDMO Cc1ccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2O)cc1 ZINC000170789604 426150317 /nfs/dbraw/zinc/15/03/17/426150317.db2.gz KXMNLSNWQWLYKL-CYBMUJFWSA-N 1 1 316.376 2.920 20 10 DFCDMO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131179661 426163871 /nfs/dbraw/zinc/16/38/71/426163871.db2.gz AMDHVJUYRIHKNK-QVKFZJNVSA-N 1 1 308.491 2.876 20 10 DFCDMO C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1O ZINC000121136928 426321661 /nfs/dbraw/zinc/32/16/61/426321661.db2.gz OGEDUUVCJGASBK-OAHLLOKOSA-N 1 1 324.424 2.797 20 10 DFCDMO C[C@@H]([NH2+]Cc1nncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152291712 426336291 /nfs/dbraw/zinc/33/62/91/426336291.db2.gz HFMATPVUBFDQFY-CYBMUJFWSA-N 1 1 317.412 2.795 20 10 DFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070161 426346974 /nfs/dbraw/zinc/34/69/74/426346974.db2.gz FBDJFZWCGTVXCM-GFCCVEGCSA-N 1 1 306.797 2.549 20 10 DFCDMO C[C@@H](NCC(C)(C)[NH+](C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152601324 426347595 /nfs/dbraw/zinc/34/75/95/426347595.db2.gz NWZGFJCUDCEYKW-CQSZACIVSA-N 1 1 323.456 2.653 20 10 DFCDMO CC[NH+](CC)CCN[C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000152787386 426354472 /nfs/dbraw/zinc/35/44/72/426354472.db2.gz GEVOYYVOGPMZQV-HNNXBMFYSA-N 1 1 323.456 2.655 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CC(N)=O)C2)cc1F ZINC000093808736 426357291 /nfs/dbraw/zinc/35/72/91/426357291.db2.gz IMVPGMYUFGVSJL-CQSZACIVSA-N 1 1 321.440 2.759 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3cccnc3)C2)c1O ZINC000093691051 426357923 /nfs/dbraw/zinc/35/79/23/426357923.db2.gz FCGJIFBVQHWRJN-INIZCTEOSA-N 1 1 314.385 2.839 20 10 DFCDMO Cc1nsc(N2CCC[N@@H+](Cc3cc(C)ccc3O)CC2)n1 ZINC000093717103 426358004 /nfs/dbraw/zinc/35/80/04/426358004.db2.gz MVIFRXGNOQBUPZ-UHFFFAOYSA-N 1 1 318.446 2.573 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)c1O ZINC000093691055 426358163 /nfs/dbraw/zinc/35/81/63/426358163.db2.gz FCGJIFBVQHWRJN-MRXNPFEDSA-N 1 1 314.385 2.839 20 10 DFCDMO COc1cccc(CN2CCC([N@H+]3CCC[C@H]3C)CC2)c1O ZINC000093715919 426358728 /nfs/dbraw/zinc/35/87/28/426358728.db2.gz RCUOJSYRIZJCJL-CQSZACIVSA-N 1 1 304.434 2.850 20 10 DFCDMO CC(C)c1nnc2n1C[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)CC2 ZINC000186293348 426501437 /nfs/dbraw/zinc/50/14/37/426501437.db2.gz UXCYANBQWAOCJO-DGCLKSJQSA-N 1 1 318.396 2.912 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2c(O)ccc3ccccc32)C[C@]2(CCOC2)O1 ZINC000280400521 426565965 /nfs/dbraw/zinc/56/59/65/426565965.db2.gz XSDPSLZUDRXRGX-LIRRHRJNSA-N 1 1 313.397 2.925 20 10 DFCDMO C[C@H]1OCC[C@@]12C[N@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H](C)O2 ZINC000280477546 426582513 /nfs/dbraw/zinc/58/25/13/426582513.db2.gz NTRWRLOVLXWKLE-HBUWYVDXSA-N 1 1 322.424 2.660 20 10 DFCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(N(C)C)c(F)c1)C[C@@H](C)O2 ZINC000280477546 426582517 /nfs/dbraw/zinc/58/25/17/426582517.db2.gz NTRWRLOVLXWKLE-HBUWYVDXSA-N 1 1 322.424 2.660 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)c1O ZINC000289641156 426671435 /nfs/dbraw/zinc/67/14/35/426671435.db2.gz MKALRMSAFMPJKA-BBRMVZONSA-N 1 1 324.852 2.649 20 10 DFCDMO Cc1ccccc1-n1cc(C[NH2+]Cc2ccc(N(C)C)cc2)nn1 ZINC000289766017 426673265 /nfs/dbraw/zinc/67/32/65/426673265.db2.gz OYLWIPIWZBTTER-UHFFFAOYSA-N 1 1 321.428 2.932 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000289681320 426673449 /nfs/dbraw/zinc/67/34/49/426673449.db2.gz FAPBGAPYEKLBMG-WMLDXEAASA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)[C@@H]2C)c1 ZINC000289681320 426673455 /nfs/dbraw/zinc/67/34/55/426673455.db2.gz FAPBGAPYEKLBMG-WMLDXEAASA-N 1 1 304.434 2.850 20 10 DFCDMO CN(Cc1ccccc1O)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000289946237 426677495 /nfs/dbraw/zinc/67/74/95/426677495.db2.gz UPHAHJKMSSZYMX-QGZVFWFLSA-N 1 1 308.397 2.563 20 10 DFCDMO CCCC[N@@H+](C)CC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000236709167 426678431 /nfs/dbraw/zinc/67/84/31/426678431.db2.gz AYBPLLJSHQWBDE-UHFFFAOYSA-N 1 1 317.477 2.782 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCCc3occc3C2)cc1OC ZINC000289998523 426678917 /nfs/dbraw/zinc/67/89/17/426678917.db2.gz CWKIDRNFAOHWPV-UHFFFAOYSA-N 1 1 303.358 2.951 20 10 DFCDMO Oc1c(F)cccc1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000281179703 426704247 /nfs/dbraw/zinc/70/42/47/426704247.db2.gz HRDGNYAXKRRKAU-UHFFFAOYSA-N 1 1 307.394 2.746 20 10 DFCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)OCO2 ZINC000281296475 426708416 /nfs/dbraw/zinc/70/84/16/426708416.db2.gz PKXMAHCRDNPFRG-KFWWJZLASA-N 1 1 319.401 2.636 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)Cc2cnc(C)s2)cc1OC ZINC000179439349 426790194 /nfs/dbraw/zinc/79/01/94/426790194.db2.gz IUEMBTHBUYWEQQ-UHFFFAOYSA-N 1 1 308.403 2.806 20 10 DFCDMO 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ZINC000282849767 426929429 /nfs/dbraw/zinc/92/94/29/426929429.db2.gz DIQKOABOWMQASU-UHFFFAOYSA-N 1 1 318.442 2.900 20 10 DFCDMO Cc1cc([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)[nH]n1 ZINC000283038913 426937249 /nfs/dbraw/zinc/93/72/49/426937249.db2.gz NUGZMQKSIYWLGK-LBPRGKRZSA-N 1 1 315.373 2.532 20 10 DFCDMO Cc1cc([C@H]2CCC[N@H+](Cc3cc4c(cc3O)OCO4)C2)n[nH]1 ZINC000283038913 426937258 /nfs/dbraw/zinc/93/72/58/426937258.db2.gz NUGZMQKSIYWLGK-LBPRGKRZSA-N 1 1 315.373 2.532 20 10 DFCDMO Cc1cc([C@H]2CCC[N@@H+](Cc3cc4c(cc3O)OCO4)C2)n[nH]1 ZINC000283038913 426937263 /nfs/dbraw/zinc/93/72/63/426937263.db2.gz NUGZMQKSIYWLGK-LBPRGKRZSA-N 1 1 315.373 2.532 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N3CCC(OC)CC3)cc2)CCO1 ZINC000295551794 427003692 /nfs/dbraw/zinc/00/36/92/427003692.db2.gz PLOITOKNOLZOQC-GOSISDBHSA-N 1 1 318.461 2.913 20 10 DFCDMO C[C@H]1C[N@H+](Cc2ccc(N3CCCCC3)cc2)CC[S@](=O)C1 ZINC000277463153 427212360 /nfs/dbraw/zinc/21/23/60/427212360.db2.gz LLAURAUPOKXWSU-AOMKIAJQSA-N 1 1 320.502 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/nfs/dbraw/zinc/42/34/59/427423459.db2.gz JRNSPVPGBOOCIB-HTQZYQBOSA-N 1 1 305.205 2.874 20 10 DFCDMO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c(O)c1 ZINC000293754944 427425589 /nfs/dbraw/zinc/42/55/89/427425589.db2.gz OMFMHFGXPPSYOM-DOTOQJQBSA-N 1 1 319.493 2.543 20 10 DFCDMO CC[C@@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278295450 427428475 /nfs/dbraw/zinc/42/84/75/427428475.db2.gz CFLVIQXMEXSMSN-JTQLQIEISA-N 1 1 300.380 2.540 20 10 DFCDMO CC(=O)N1CC[N@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000271176662 427431422 /nfs/dbraw/zinc/43/14/22/427431422.db2.gz JRIOBXLRVLUKOA-INIZCTEOSA-N 1 1 315.461 2.730 20 10 DFCDMO CC(=O)N1CC[N@@H+](Cc2ccc(N3CCCCC3)cc2)[C@@H](C)C1 ZINC000271176662 427431426 /nfs/dbraw/zinc/43/14/26/427431426.db2.gz JRIOBXLRVLUKOA-INIZCTEOSA-N 1 1 315.461 2.730 20 10 DFCDMO COc1c(O)c(C[NH2+]CC2(C3CC3)CCC2)ccc1[N+](=O)[O-] ZINC000278464611 427438842 /nfs/dbraw/zinc/43/88/42/427438842.db2.gz FTVBMPBFPSMNEP-UHFFFAOYSA-N 1 1 306.362 2.979 20 10 DFCDMO 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RVXPWEQOTGBJHE-CYBMUJFWSA-N 1 1 301.814 2.893 20 10 DFCDMO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279259104 427618636 /nfs/dbraw/zinc/61/86/36/427618636.db2.gz SVTJPPYZJHVCOK-RDJZCZTQSA-N 1 1 317.477 2.831 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000294323321 427622210 /nfs/dbraw/zinc/62/22/10/427622210.db2.gz RBGLFUBZPLBSJC-LLVKDONJSA-N 1 1 324.787 2.688 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000294323321 427622216 /nfs/dbraw/zinc/62/22/16/427622216.db2.gz RBGLFUBZPLBSJC-LLVKDONJSA-N 1 1 324.787 2.688 20 10 DFCDMO C[C@@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)c(Cl)cc1O ZINC000192978533 427646607 /nfs/dbraw/zinc/64/66/07/427646607.db2.gz HRMRTFCQXSNPHU-ZJUUUORDSA-N 1 1 319.232 2.680 20 10 DFCDMO COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193063359 427659106 /nfs/dbraw/zinc/65/91/06/427659106.db2.gz CSXNEDIRFLDMFQ-DTWKUNHWSA-N 1 1 308.205 2.747 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC2(CC1)OCCO2 ZINC000294834927 427660097 /nfs/dbraw/zinc/66/00/97/427660097.db2.gz HLFFRAYIBBLBRT-UHFFFAOYSA-N 1 1 301.745 2.524 20 10 DFCDMO Cn1cnc(C[NH2+][C@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000294974429 427669499 /nfs/dbraw/zinc/66/94/99/427669499.db2.gz ZRMBVELRLUBZNN-QGZVFWFLSA-N 1 1 322.412 2.984 20 10 DFCDMO CC[C@H]([NH2+][C@@H](C)CCN1CCN(C)CC1)c1ccc(C)cc1O ZINC000279996348 427725921 /nfs/dbraw/zinc/72/59/21/427725921.db2.gz FRMJFCOVCQBCOB-WMZOPIPTSA-N 1 1 319.493 2.767 20 10 DFCDMO C[C@@H]([NH2+]C[C@H]1CCCN1c1cccnn1)c1ccc(F)cc1O ZINC000359961824 428093838 /nfs/dbraw/zinc/09/38/38/428093838.db2.gz SZLLBTSUNMNBPE-TZMCWYRMSA-N 1 1 316.380 2.641 20 10 DFCDMO CCOCc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)ccc1OC ZINC000370730528 428286236 /nfs/dbraw/zinc/28/62/36/428286236.db2.gz OTMYNECBYPRFRA-OAHLLOKOSA-N 1 1 315.417 2.602 20 10 DFCDMO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1nccs1)OCO2 ZINC000371487553 428392850 /nfs/dbraw/zinc/39/28/50/428392850.db2.gz GMXQHLOQWYOQQD-NSHDSACASA-N 1 1 304.371 2.915 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CCC[C@H]1c1nccs1)OCO2 ZINC000371487553 428392855 /nfs/dbraw/zinc/39/28/55/428392855.db2.gz GMXQHLOQWYOQQD-NSHDSACASA-N 1 1 304.371 2.915 20 10 DFCDMO CC[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064297 428413279 /nfs/dbraw/zinc/41/32/79/428413279.db2.gz BAEFRTKKOIQBHE-QYZOEREBSA-N 1 1 317.477 2.657 20 10 DFCDMO CC[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(N(C)C)cc1 ZINC000372064297 428413284 /nfs/dbraw/zinc/41/32/84/428413284.db2.gz BAEFRTKKOIQBHE-QYZOEREBSA-N 1 1 317.477 2.657 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH+]2CCN([C@@H]3CCSC3)CC2)c1 ZINC000372595917 428470281 /nfs/dbraw/zinc/47/02/81/428470281.db2.gz BWNTUYHHDAGPMX-UONOGXRCSA-N 1 1 322.474 2.585 20 10 DFCDMO CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3ccc(N(C)C)c(F)c3)[C@H]2C1 ZINC000360809590 428447270 /nfs/dbraw/zinc/44/72/70/428447270.db2.gz LAGIZCOOTHXSGB-JLSDUUJJSA-N 1 1 322.424 2.660 20 10 DFCDMO CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)[C@H]2C1 ZINC000360809590 428447277 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CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)[C@@H]2C1 ZINC000360809592 428448249 /nfs/dbraw/zinc/44/82/49/428448249.db2.gz LAGIZCOOTHXSGB-ZTFGCOKTSA-N 1 1 322.424 2.660 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)c1 ZINC000372598404 428470727 /nfs/dbraw/zinc/47/07/27/428470727.db2.gz GYCGNXJJESCGSJ-UONOGXRCSA-N 1 1 315.417 2.760 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)c1O ZINC000372636770 428479221 /nfs/dbraw/zinc/47/92/21/428479221.db2.gz GOWPZHFYFOOOME-KRWDZBQOSA-N 1 1 322.836 2.798 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000372721223 428492686 /nfs/dbraw/zinc/49/26/86/428492686.db2.gz VUBVGQFHTLDYNH-CQSZACIVSA-N 1 1 321.417 2.733 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000373633875 428624392 /nfs/dbraw/zinc/62/43/92/428624392.db2.gz COZATCGHTQTSCX-KDOFPFPSSA-N 1 1 321.417 2.561 20 10 DFCDMO COc1cccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)c1O ZINC000373884213 428655010 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INJORTIGTWZAHN-GFCCVEGCSA-N 1 1 305.378 2.895 20 10 DFCDMO CCC[N@@H+](Cc1ccccc1O)[C@H](C)c1nc(COC)no1 ZINC000181932614 521690446 /nfs/dbraw/zinc/69/04/46/521690446.db2.gz INJORTIGTWZAHN-GFCCVEGCSA-N 1 1 305.378 2.895 20 10 DFCDMO CCN1CC[C@H]([N@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719308 /nfs/dbraw/zinc/71/93/08/521719308.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 1 1 322.449 2.572 20 10 DFCDMO CCN1CC[C@H]([N@@H+](C)Cc2cc(OC)c(OC)cc2O)[C@H](C)C1 ZINC000180415517 521719309 /nfs/dbraw/zinc/71/93/09/521719309.db2.gz KKDYNTZKCGQQNL-HIFRSBDPSA-N 1 1 322.449 2.572 20 10 DFCDMO COCCC[N@H+]1CCCN([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986564 523302611 /nfs/dbraw/zinc/30/26/11/523302611.db2.gz TWDNNPBRMCVIPV-OAHLLOKOSA-N 1 1 322.449 2.506 20 10 DFCDMO COCCCN1CCC[N@@H+]([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986564 523302620 /nfs/dbraw/zinc/30/26/20/523302620.db2.gz TWDNNPBRMCVIPV-OAHLLOKOSA-N 1 1 322.449 2.506 20 10 DFCDMO COCCCN1CCC[N@H+]([C@H](C)c2cc(OC)ccc2O)CC1 ZINC000364986564 523302626 /nfs/dbraw/zinc/30/26/26/523302626.db2.gz TWDNNPBRMCVIPV-OAHLLOKOSA-N 1 1 322.449 2.506 20 10 DFCDMO C[N@H+](Cc1ccccc1O)C[C@H](O)COc1ccc(Cl)cc1 ZINC000264755078 523384617 /nfs/dbraw/zinc/38/46/17/523384617.db2.gz XLLVIFNGWILGKK-HNNXBMFYSA-N 1 1 321.804 2.917 20 10 DFCDMO C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848500 /nfs/dbraw/zinc/84/85/00/523848500.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 1 1 318.461 2.858 20 10 DFCDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000163103415 523848504 /nfs/dbraw/zinc/84/85/04/523848504.db2.gz ACOUFCDELIILHY-ROUUACIJSA-N 1 1 318.461 2.858 20 10 DFCDMO C[C@@H](C[N@@H+](C)Cc1cc2c(cc1O)OCO2)c1nccs1 ZINC000182838968 524573967 /nfs/dbraw/zinc/57/39/67/524573967.db2.gz CAMMUELPYVHDOH-JTQLQIEISA-N 1 1 306.387 2.813 20 10 DFCDMO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000131180110 524657854 /nfs/dbraw/zinc/65/78/54/524657854.db2.gz AMDHVJUYRIHKNK-VFNWGFHPSA-N 1 1 308.491 2.876 20 10 DFCDMO 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COC(=O)c1ccc(O)c([C@@H](C)[NH2+]CC2(OC)CCCC2)c1 ZINC000296641113 427228267 /nfs/dbraw/zinc/22/82/67/427228267.db2.gz CBCHHQYOBNJIEZ-GFCCVEGCSA-N 1 1 307.390 2.789 20 10 DFCDMO C[N@@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2C1 ZINC000254977125 427229659 /nfs/dbraw/zinc/22/96/59/427229659.db2.gz CGBNFQUBXOBBAP-SREVYHEPSA-N 1 1 311.360 2.713 20 10 DFCDMO C[N@H+]1CCN(C(=O)/C=C\c2cncc(F)c2)c2ccccc2C1 ZINC000254977125 427229665 /nfs/dbraw/zinc/22/96/65/427229665.db2.gz CGBNFQUBXOBBAP-SREVYHEPSA-N 1 1 311.360 2.713 20 10 DFCDMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000183373862 427256935 /nfs/dbraw/zinc/25/69/35/427256935.db2.gz MLYCFNJVUJMPPA-UHFFFAOYSA-N 1 1 310.397 2.659 20 10 DFCDMO COc1c(O)c(C[N@@H+](C)Cc2ccccc2O)ccc1[N+](=O)[O-] ZINC000278192417 427423843 /nfs/dbraw/zinc/42/38/43/427423843.db2.gz IEVAASASINJVCL-UHFFFAOYSA-N 1 1 318.329 2.647 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@H](Oc3ccccn3)C2)c1O ZINC000271166362 427427802 /nfs/dbraw/zinc/42/78/02/427427802.db2.gz 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ZINC000278483259 427441789 /nfs/dbraw/zinc/44/17/89/427441789.db2.gz JQVICCKLAJTZFB-TZMCWYRMSA-N 1 1 324.377 2.602 20 10 DFCDMO COc1c(O)c(C[NH2+]CCc2cccc(C)c2)ccc1[N+](=O)[O-] ZINC000278634380 427446154 /nfs/dbraw/zinc/44/61/54/427446154.db2.gz HHRXGKOMWONYAG-UHFFFAOYSA-N 1 1 316.357 2.950 20 10 DFCDMO COc1c(O)c(C[N@H+]2CC[C@@H](OCC(C)C)C2)ccc1[N+](=O)[O-] ZINC000278616552 427447188 /nfs/dbraw/zinc/44/71/88/427447188.db2.gz FHEFAMMLRIWQOC-CYBMUJFWSA-N 1 1 324.377 2.556 20 10 DFCDMO COc1c(O)c(C[NH2+]CCc2ccsc2)ccc1[N+](=O)[O-] ZINC000278926254 427503022 /nfs/dbraw/zinc/50/30/22/427503022.db2.gz VKHGMSIUXPEQPC-UHFFFAOYSA-N 1 1 308.359 2.703 20 10 DFCDMO COCCC[N@@H+](CCOC)Cc1cc(Cl)cc(OC)c1O ZINC000184682837 427517650 /nfs/dbraw/zinc/51/76/50/427517650.db2.gz KYPMFAMETXWJRN-UHFFFAOYSA-N 1 1 317.813 2.539 20 10 DFCDMO C[C@H]([NH2+][C@H]1CCO[C@H](c2cncn2C)C1)c1ccc(F)cc1O ZINC000279029205 427533595 /nfs/dbraw/zinc/53/35/95/427533595.db2.gz VWNZOLCBPGIMLJ-BNLOLNQZSA-N 1 1 319.380 2.836 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000294291104 427612290 /nfs/dbraw/zinc/61/22/90/427612290.db2.gz PMAAZORGCUHJLF-UHFFFAOYSA-N 1 1 324.787 2.688 20 10 DFCDMO COc1ccc(O)c(C[NH2+]Cc2csc([C@@H](C)OC)n2)c1 ZINC000271856002 427590689 /nfs/dbraw/zinc/59/06/89/427590689.db2.gz USPYHLKUHPKMBG-SNVBAGLBSA-N 1 1 308.403 2.855 20 10 DFCDMO C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1ccc(F)cc1O ZINC000185127707 427597974 /nfs/dbraw/zinc/59/79/74/427597974.db2.gz PPDRIPFCBIIMLT-SMDDNHRTSA-N 1 1 323.339 2.761 20 10 DFCDMO CN(C)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2O)cn1 ZINC000294356327 427635600 /nfs/dbraw/zinc/63/56/00/427635600.db2.gz SWLPHIXCZVEQJU-UHFFFAOYSA-N 1 1 309.772 2.936 20 10 DFCDMO C[C@H]([NH2+]C[C@H]1CN(C)CCO1)c1cc(Cl)c(Cl)cc1O ZINC000192978520 427647003 /nfs/dbraw/zinc/64/70/03/427647003.db2.gz HRMRTFCQXSNPHU-UWVGGRQHSA-N 1 1 319.232 2.680 20 10 DFCDMO COc1ccc(N2CC[NH+](Cc3ccncc3C)CC2)cc1F ZINC000294720394 427649683 /nfs/dbraw/zinc/64/96/83/427649683.db2.gz GDHRDRXMQQCKAZ-UHFFFAOYSA-N 1 1 315.392 2.860 20 10 DFCDMO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Cl)c(Cl)cc1O ZINC000193050294 427658628 /nfs/dbraw/zinc/65/86/28/427658628.db2.gz UYOCOUKDKLRWPQ-SDBXPKJASA-N 1 1 306.189 2.501 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000294851901 427659912 /nfs/dbraw/zinc/65/99/12/427659912.db2.gz ZYHXJEVSROVNIK-UHFFFAOYSA-N 1 1 324.787 2.688 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 ZINC000294825165 427660892 /nfs/dbraw/zinc/66/08/92/427660892.db2.gz PIDSVZXRJOQTTN-ZDUSSCGKSA-N 1 1 320.433 2.514 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](CC(=O)OC(C)C)C2)c1 ZINC000185581714 427674527 /nfs/dbraw/zinc/67/45/27/427674527.db2.gz UJBJBMPQJLWXBO-CQSZACIVSA-N 1 1 321.417 2.955 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H]2CO)c(C(F)(F)F)c1 ZINC000279746736 427718461 /nfs/dbraw/zinc/71/84/61/427718461.db2.gz XQRFIUDBAUGCDH-CYBMUJFWSA-N 1 1 302.340 2.728 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000279831185 427719694 /nfs/dbraw/zinc/71/96/94/427719694.db2.gz QZSOFEMPXKRLJX-XHDPSFHLSA-N 1 1 309.381 2.859 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+]2CCCC[C@@H]2C[C@H](C)O)c1O ZINC000279831185 427719699 /nfs/dbraw/zinc/71/96/99/427719699.db2.gz QZSOFEMPXKRLJX-XHDPSFHLSA-N 1 1 309.381 2.859 20 10 DFCDMO CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000360252752 428223566 /nfs/dbraw/zinc/22/35/66/428223566.db2.gz FPGYEHVBAFOASZ-CVEARBPZSA-N 1 1 304.434 2.897 20 10 DFCDMO CCCOc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000360252752 428223573 /nfs/dbraw/zinc/22/35/73/428223573.db2.gz FPGYEHVBAFOASZ-CVEARBPZSA-N 1 1 304.434 2.897 20 10 DFCDMO CCCOc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(O)c1 ZINC000360252752 428223576 /nfs/dbraw/zinc/22/35/76/428223576.db2.gz FPGYEHVBAFOASZ-CVEARBPZSA-N 1 1 304.434 2.897 20 10 DFCDMO CCCC(=O)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000372429623 428446464 /nfs/dbraw/zinc/44/64/64/428446464.db2.gz YBJJBSIKYMJMKP-UHFFFAOYSA-N 1 1 310.825 2.880 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCC23CCOCC3)c1O ZINC000372455474 428448273 /nfs/dbraw/zinc/44/82/73/428448273.db2.gz AOOJMXRKDZKRKD-UHFFFAOYSA-N 1 1 307.365 2.879 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)c1 ZINC000372598401 428471357 /nfs/dbraw/zinc/47/13/57/428471357.db2.gz GYCGNXJJESCGSJ-KBPBESRZSA-N 1 1 315.417 2.760 20 10 DFCDMO COc1ccc(O)c([C@H](C)[N@H+]2CCC[C@@H](n3cccn3)C2)c1 ZINC000372597436 428472129 /nfs/dbraw/zinc/47/21/29/428472129.db2.gz ZFQTYWPMCZJWSJ-UONOGXRCSA-N 1 1 301.390 2.995 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@]2(CCOC2)O1 ZINC000373477847 428588051 /nfs/dbraw/zinc/58/80/51/428588051.db2.gz CCFXCEKDXDTVJH-ROUUACIJSA-N 1 1 304.434 2.523 20 10 DFCDMO O=C([C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O)N1CCCC1 ZINC000361049385 428533290 /nfs/dbraw/zinc/53/32/90/428533290.db2.gz CMILEFZMKBBEHW-OAHLLOKOSA-N 1 1 306.381 2.508 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@@H](c3ccnn3C)C2)c1O ZINC000362088424 428617041 /nfs/dbraw/zinc/61/70/41/428617041.db2.gz 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LLAURAUPOKXWSU-OPAMFIHVSA-N 1 1 320.502 2.877 20 10 DFCDMO CC[C@H](C)c1nnc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)[nH]1 ZINC000277460738 427211154 /nfs/dbraw/zinc/21/11/54/427211154.db2.gz QIYSHLVHHUKXLV-UWVGGRQHSA-N 1 1 318.377 2.603 20 10 DFCDMO C[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2O)[C@@H](C)O1 ZINC000296642811 427228700 /nfs/dbraw/zinc/22/87/00/427228700.db2.gz CLTGAVVJYLEUIA-LNLATYFQSA-N 1 1 300.196 2.810 20 10 DFCDMO C[C@@H]([NH2+]C1CCN(C[C@H]2CCOC2)CC1)c1ccccc1O ZINC000183520602 427286918 /nfs/dbraw/zinc/28/69/18/427286918.db2.gz ACKXBULIIKUDEY-HUUCEWRRSA-N 1 1 304.434 2.544 20 10 DFCDMO CCOc1cccc(C[NH+]2CCN(Cc3ccco3)CC2)c1O ZINC000271020311 427376716 /nfs/dbraw/zinc/37/67/16/427376716.db2.gz BVEQIZLKSRGEFK-UHFFFAOYSA-N 1 1 316.401 2.702 20 10 DFCDMO C[C@H]([NH2+]Cc1nnc2n1CCCC2)c1cc(Cl)ccc1O ZINC000183867602 427355015 /nfs/dbraw/zinc/35/50/15/427355015.db2.gz XUIJGTWKHXLYLP-JTQLQIEISA-N 1 1 306.797 2.824 20 10 DFCDMO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H]1CCOC1 ZINC000271257156 427471627 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CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Cl)c(F)cc2O)C1 ZINC000294743491 427647828 /nfs/dbraw/zinc/64/78/28/427647828.db2.gz QXNKFFKCYWQFBM-LLVKDONJSA-N 1 1 314.788 2.533 20 10 DFCDMO c1cc(N2CCCCC2)ccc1C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294864964 427664656 /nfs/dbraw/zinc/66/46/56/427664656.db2.gz UFYVIYBFRPNEMA-UHFFFAOYSA-N 1 1 311.433 2.962 20 10 DFCDMO CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294931279 427667455 /nfs/dbraw/zinc/66/74/55/427667455.db2.gz OVZLQQAEANYHKV-LLVKDONJSA-N 1 1 314.788 2.533 20 10 DFCDMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc(Cl)c(F)cc2O)C1 ZINC000294931279 427667462 /nfs/dbraw/zinc/66/74/62/427667462.db2.gz OVZLQQAEANYHKV-LLVKDONJSA-N 1 1 314.788 2.533 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCO[C@@]3(CCO[C@H]3C)C2)c(O)c1 ZINC000279615282 427712764 /nfs/dbraw/zinc/71/27/64/427712764.db2.gz GCPPEIVLPKDBEG-KSSFIOAISA-N 1 1 321.417 2.561 20 10 DFCDMO C[C@H]1OCC[C@@]12C[N@@H+](Cc1c(O)ccc3ccccc31)CCO2 ZINC000279655800 427716055 /nfs/dbraw/zinc/71/60/55/427716055.db2.gz 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428385946 /nfs/dbraw/zinc/38/59/46/428385946.db2.gz ORLXGXUOHLJPPW-SJORKVTESA-N 1 1 304.434 2.850 20 10 DFCDMO CCc1nc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3O)C2)no1 ZINC000361054239 428532155 /nfs/dbraw/zinc/53/21/55/428532155.db2.gz UNTVEYOGIZPJRX-GFCCVEGCSA-N 1 1 305.353 2.856 20 10 DFCDMO O=C(Nc1nccs1)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000372972471 428508024 /nfs/dbraw/zinc/50/80/24/428508024.db2.gz HJQCIHVQGBBVGF-CYBMUJFWSA-N 1 1 317.414 2.699 20 10 DFCDMO CCc1nc([C@@H]2CCC[N@H+](Cc3cccc(F)c3O)C2)no1 ZINC000361054239 428532151 /nfs/dbraw/zinc/53/21/51/428532151.db2.gz UNTVEYOGIZPJRX-GFCCVEGCSA-N 1 1 305.353 2.856 20 10 DFCDMO Oc1c(Cl)cccc1CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000362047339 428613654 /nfs/dbraw/zinc/61/36/54/428613654.db2.gz RARSVUYBAJZJGW-ZDUSSCGKSA-N 1 1 312.866 2.669 20 10 DFCDMO CC1(C)C[N@@H+](Cc2cc(F)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373611822 428620664 /nfs/dbraw/zinc/62/06/64/428620664.db2.gz PULDZVAIGSNRHR-QGZVFWFLSA-N 1 1 309.381 2.691 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000373633874 428624321 /nfs/dbraw/zinc/62/43/21/428624321.db2.gz COZATCGHTQTSCX-KBXCAEBGSA-N 1 1 321.417 2.561 20 10 DFCDMO CCOc1cccc(C[N@H+](C)Cc2cn3c(n2)CCCC3)c1O ZINC000373883091 428654832 /nfs/dbraw/zinc/65/48/32/428654832.db2.gz SSPQTSQRCBDVKR-UHFFFAOYSA-N 1 1 315.417 2.956 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)Cc2cn3c(n2)CCCC3)c1O ZINC000373883091 428654836 /nfs/dbraw/zinc/65/48/36/428654836.db2.gz SSPQTSQRCBDVKR-UHFFFAOYSA-N 1 1 315.417 2.956 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974903 428656259 /nfs/dbraw/zinc/65/62/59/428656259.db2.gz FZBJRWCAQCHWHK-DEYYWGMASA-N 1 1 321.417 2.559 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)c1O ZINC000374412918 428679365 /nfs/dbraw/zinc/67/93/65/428679365.db2.gz WGUKKCVFKJHYEM-QWHCGFSZSA-N 1 1 307.365 2.592 20 10 DFCDMO CC(C)[C@H](C)NC(=O)C[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374782712 428751468 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COCCC[N@H+]1CCCN(Cc2cccc(Cl)c2O)CC1 ZINC000367742315 429710101 /nfs/dbraw/zinc/71/01/01/429710101.db2.gz ZKLYVABADICCMS-UHFFFAOYSA-N 1 1 312.841 2.590 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000368024781 429769749 /nfs/dbraw/zinc/76/97/49/429769749.db2.gz UUYUGMSWJJWERW-UKMLZYKCSA-N 1 1 302.418 2.962 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368041388 429773611 /nfs/dbraw/zinc/77/36/11/429773611.db2.gz KWJQDDFFUANORY-BBRMVZONSA-N 1 1 312.417 3.095 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368567582 429867527 /nfs/dbraw/zinc/86/75/27/429867527.db2.gz NFOLWQPZTANXDA-XHSDSOJGSA-N 1 1 303.402 2.913 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)cc1C ZINC000369377396 429934018 /nfs/dbraw/zinc/93/40/18/429934018.db2.gz ALESPYWWIDANAK-MPGHIAIKSA-N 1 1 305.418 2.777 20 10 DFCDMO CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2CCc3cccc(O)c32)C1)C(N)=O ZINC000296558659 277305094 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DFCDMO COCC[C@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000281686836 292689516 /nfs/dbraw/zinc/68/95/16/292689516.db2.gz RUIVOSMZYNXDBK-RKDXNWHRSA-N 1 1 308.205 2.747 20 10 DFCDMO CC[C@H](c1ccccc1O)[NH+]1CCC(CN2CCOCC2)CC1 ZINC000363687266 332221674 /nfs/dbraw/zinc/22/16/74/332221674.db2.gz NRZOSFJEBKPNIT-GOSISDBHSA-N 1 1 318.461 2.888 20 10 DFCDMO CCN(C)c1ccc([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000363778722 332246168 /nfs/dbraw/zinc/24/61/68/332246168.db2.gz CAKWJYIGYZOOJP-ZYSHUDEJSA-N 1 1 317.477 2.657 20 10 DFCDMO CCN(C)c1ccc([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000363778722 332246170 /nfs/dbraw/zinc/24/61/70/332246170.db2.gz CAKWJYIGYZOOJP-ZYSHUDEJSA-N 1 1 317.477 2.657 20 10 DFCDMO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)[S@]1=O ZINC000293699058 335112460 /nfs/dbraw/zinc/11/24/60/335112460.db2.gz WYKGCQULKPIBLC-CMPZQBNXSA-N 1 1 308.491 2.792 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(C)c2)C[C@H](C)[S@]1=O ZINC000293699058 335112462 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COc1cccc(C[N@@H+](CCO)[C@H]2CCc3ccccc32)c1O ZINC000093387931 398635516 /nfs/dbraw/zinc/63/55/16/398635516.db2.gz VTBLODPGSJQEQA-KRWDZBQOSA-N 1 1 313.397 2.883 20 10 DFCDMO CCOc1cccc(C[N@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1O ZINC000093585491 398640836 /nfs/dbraw/zinc/64/08/36/398640836.db2.gz FAPOKCGOEDLCPO-CRAIPNDOSA-N 1 1 305.418 2.918 20 10 DFCDMO C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273365465 299271686 /nfs/dbraw/zinc/27/16/86/299271686.db2.gz BGILATVOJLNOGA-LBPRGKRZSA-N 1 1 319.405 2.968 20 10 DFCDMO C[N@@H+](Cc1ccccc1O)Cc1ccccc1N1CCOCC1 ZINC000091974595 193135147 /nfs/dbraw/zinc/13/51/47/193135147.db2.gz OVIHTINEQGXPDV-UHFFFAOYSA-N 1 1 312.413 2.861 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000272287704 130015150 /nfs/dbraw/zinc/01/51/50/130015150.db2.gz NPCUXLAHRVPQJW-UHFFFAOYSA-N 1 1 307.394 2.700 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1CCCN(c2nccs2)CC1 ZINC000272287704 130015152 /nfs/dbraw/zinc/01/51/52/130015152.db2.gz NPCUXLAHRVPQJW-UHFFFAOYSA-N 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/nfs/dbraw/zinc/14/43/86/130144386.db2.gz UOPZIERCOUGQIV-RYUDHWBXSA-N 1 1 318.377 2.792 20 10 DFCDMO CO[C@@H]1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000284734589 131107138 /nfs/dbraw/zinc/10/71/38/131107138.db2.gz UCIPOCYKFCSLKU-CEXWTWQISA-N 1 1 318.461 2.769 20 10 DFCDMO CC[C@H]([NH2+]CC(C)(C)N1CCOCC1)c1ccc(F)cc1O ZINC000285567265 131181084 /nfs/dbraw/zinc/18/10/84/131181084.db2.gz HPOCOGGCYRVBNE-HNNXBMFYSA-N 1 1 310.413 2.683 20 10 DFCDMO CO[C@@H]1[C@H]2C[C@H]3C[N@@H+](Cc4ccc(N(C)C)c(F)c4)[C@H]1[C@H]3C2 ZINC000289247822 131368564 /nfs/dbraw/zinc/36/85/64/131368564.db2.gz DZXBULDWNWWTJV-TZUPDSNESA-N 1 1 304.409 2.747 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000289316190 131373295 /nfs/dbraw/zinc/37/32/95/131373295.db2.gz FGVXUECDRSVQIV-INIZCTEOSA-N 1 1 311.809 2.735 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@@]3(CCCOC3)C2)c1O ZINC000289316190 131373297 /nfs/dbraw/zinc/37/32/97/131373297.db2.gz FGVXUECDRSVQIV-INIZCTEOSA-N 1 1 311.809 2.735 20 10 DFCDMO C[C@@H](C1CC1)[N@@H+](CC(=O)NCc1ccc(N(C)C)cc1)C1CC1 ZINC000297852378 132037283 /nfs/dbraw/zinc/03/72/83/132037283.db2.gz LIGJNHGJMQQDFM-AWEZNQCLSA-N 1 1 315.461 2.632 20 10 DFCDMO COc1cc(Cl)cc(CNCCC[N@H+](C)C(C)C)c1O ZINC000230934023 542893231 /nfs/dbraw/zinc/89/32/31/542893231.db2.gz WKGSHIPCYNLOID-UHFFFAOYSA-N 1 1 300.830 2.874 20 10 DFCDMO COc1cc(Cl)cc(CNCCC[N@@H+](C)C(C)C)c1O ZINC000230934023 542893232 /nfs/dbraw/zinc/89/32/32/542893232.db2.gz WKGSHIPCYNLOID-UHFFFAOYSA-N 1 1 300.830 2.874 20 10 DFCDMO O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279606732 542985168 /nfs/dbraw/zinc/98/51/68/542985168.db2.gz WYHJVANJJOMSCY-GOSISDBHSA-N 1 1 313.445 2.530 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCC[C@H](CNC(C)=O)C2)cc1 ZINC000155546906 425920725 /nfs/dbraw/zinc/92/07/25/425920725.db2.gz UBINNGPPOIZFGN-GOSISDBHSA-N 1 1 317.477 2.881 20 10 DFCDMO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)Cc1ccccc1O ZINC000109773028 426033306 /nfs/dbraw/zinc/03/33/06/426033306.db2.gz BDOIHTYKSRHXCO-ZDUSSCGKSA-N 1 1 316.376 2.668 20 10 DFCDMO Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](Cn2cncn2)C1 ZINC000128452531 426118368 /nfs/dbraw/zinc/11/83/68/426118368.db2.gz FINRUQRHVWYHJL-LBPRGKRZSA-N 1 1 306.797 2.549 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](n3cccn3)C2)cc1F ZINC000130246376 426152627 /nfs/dbraw/zinc/15/26/27/426152627.db2.gz OAISJGVAJKQSFH-HNNXBMFYSA-N 1 1 302.397 2.925 20 10 DFCDMO CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000122917804 426403128 /nfs/dbraw/zinc/40/31/28/426403128.db2.gz WIIJNVLHPBKPTJ-HNNXBMFYSA-N 1 1 315.417 2.997 20 10 DFCDMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929203 426404526 /nfs/dbraw/zinc/40/45/26/426404526.db2.gz AGRHSCPALVIEAX-VKJFTORMSA-N 1 1 301.478 2.887 20 10 DFCDMO C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000122929203 426404528 /nfs/dbraw/zinc/40/45/28/426404528.db2.gz AGRHSCPALVIEAX-VKJFTORMSA-N 1 1 301.478 2.887 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@@](C)(C(=O)OC)C2)c(O)c1 ZINC000093813903 426357633 /nfs/dbraw/zinc/35/76/33/426357633.db2.gz XUSKZFUTNNZYNC-QGZVFWFLSA-N 1 1 307.390 2.566 20 10 DFCDMO COc1cccc(C[N@@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000093864963 426360228 /nfs/dbraw/zinc/36/02/28/426360228.db2.gz IQROIIZOYPBKAO-INIZCTEOSA-N 1 1 303.358 2.876 20 10 DFCDMO COc1cccc(C[N@H+]2CCO[C@H](c3ccc(C)o3)C2)c1O ZINC000093864963 426360231 /nfs/dbraw/zinc/36/02/31/426360231.db2.gz IQROIIZOYPBKAO-INIZCTEOSA-N 1 1 303.358 2.876 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](CO)C2)c(C(F)(F)F)c1 ZINC000280187765 426517302 /nfs/dbraw/zinc/51/73/02/426517302.db2.gz CYNHWZMUDKXISB-GFCCVEGCSA-N 1 1 316.367 2.976 20 10 DFCDMO COc1cccc(C[NH2+]Cc2cc(COC(C)(C)C)on2)c1O ZINC000186422298 426525646 /nfs/dbraw/zinc/52/56/46/426525646.db2.gz RJRLYNYZHYXJQH-UHFFFAOYSA-N 1 1 320.389 2.994 20 10 DFCDMO C[C@@H]([NH2+]CC(=O)NCCc1ccccc1)c1ccc(F)cc1O ZINC000186307422 426501940 /nfs/dbraw/zinc/50/19/40/426501940.db2.gz RHDKAHCDNRMUAL-CYBMUJFWSA-N 1 1 316.376 2.541 20 10 DFCDMO CC[C@@H]([NH2+]C[C@@H](C)CN1CCN(C)CC1)c1ccc(C)cc1O ZINC000280119746 426502212 /nfs/dbraw/zinc/50/22/12/426502212.db2.gz OGJSFIYCBSROPM-SJLPKXTDSA-N 1 1 319.493 2.625 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+](C)CC2(O)CCOCC2)cc1 ZINC000178671887 426672545 /nfs/dbraw/zinc/67/25/45/426672545.db2.gz DMYHEPPJHZEZDN-UHFFFAOYSA-N 1 1 306.450 2.506 20 10 DFCDMO CNC(=O)CC[C@@H]1CCCC[N@H+]1Cc1cc(C)c(C)cc1O ZINC000289969691 426677774 /nfs/dbraw/zinc/67/77/74/426677774.db2.gz ZIRNOTWUHACPAG-INIZCTEOSA-N 1 1 304.434 2.890 20 10 DFCDMO CCOc1cccc(C[N@@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1O ZINC000289985438 426679453 /nfs/dbraw/zinc/67/94/53/426679453.db2.gz ZYFRRDXHHUVYPH-VUCVNMQBSA-N 1 1 311.447 2.522 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H](C)[S@](=O)[C@@H](CC)C2)c1O ZINC000289985438 426679454 /nfs/dbraw/zinc/67/94/54/426679454.db2.gz ZYFRRDXHHUVYPH-VUCVNMQBSA-N 1 1 311.447 2.522 20 10 DFCDMO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cccc(O)c1 ZINC000178869368 426710177 /nfs/dbraw/zinc/71/01/77/426710177.db2.gz NTHPOQJEDJKMPV-UHFFFAOYSA-N 1 1 312.413 2.861 20 10 DFCDMO Cc1cccc(C[N@@H+]2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000245849659 426776885 /nfs/dbraw/zinc/77/68/85/426776885.db2.gz MDGYXWIPFAVWBB-XYJFISCASA-N 1 1 318.461 2.774 20 10 DFCDMO Cn1c(-c2ccccc2)cnc1SC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290501197 426779400 /nfs/dbraw/zinc/77/94/00/426779400.db2.gz ASNGVZVTKNBZAT-HNNXBMFYSA-N 1 1 317.458 2.634 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890939 426785766 /nfs/dbraw/zinc/78/57/66/426785766.db2.gz YDBPLRWQUKSUHU-ZBFHGGJFSA-N 1 1 305.324 2.978 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281890939 426785771 /nfs/dbraw/zinc/78/57/71/426785771.db2.gz YDBPLRWQUKSUHU-ZBFHGGJFSA-N 1 1 305.324 2.978 20 10 DFCDMO COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000281686833 426744680 /nfs/dbraw/zinc/74/46/80/426744680.db2.gz RUIVOSMZYNXDBK-IUCAKERBSA-N 1 1 308.205 2.747 20 10 DFCDMO C[N@@H+]1CCC[C@H]1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753456 /nfs/dbraw/zinc/75/34/56/426753456.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 1 1 318.461 2.858 20 10 DFCDMO C[N@H+]1CCC[C@H]1CCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000245573212 426753460 /nfs/dbraw/zinc/75/34/60/426753460.db2.gz ACOUFCDELIILHY-ZWKOTPCHSA-N 1 1 318.461 2.858 20 10 DFCDMO CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2O)C1 ZINC000179562601 426801418 /nfs/dbraw/zinc/80/14/18/426801418.db2.gz GDCMTJXQQSKLAE-GOEBONIOSA-N 1 1 304.434 2.909 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@H](n3cc(C)cn3)C2)c1 ZINC000290799899 426840554 /nfs/dbraw/zinc/84/05/54/426840554.db2.gz FFCVLFXEJRYZCK-HNNXBMFYSA-N 1 1 301.390 2.743 20 10 DFCDMO COc1cc(Cl)cc(C[N@H+]2CCC(F)(F)[C@@H](CO)C2)c1O ZINC000291191062 426879344 /nfs/dbraw/zinc/87/93/44/426879344.db2.gz GOPQDFVLWSBUGG-SNVBAGLBSA-N 1 1 321.751 2.504 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+](C)[C@H]3C[C@@H](OC)C3)cc2)CC1 ZINC000295320397 426905951 /nfs/dbraw/zinc/90/59/51/426905951.db2.gz OCPWIJYKIQABMY-IZAXUBKRSA-N 1 1 318.461 2.911 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)c1 ZINC000282963986 426935069 /nfs/dbraw/zinc/93/50/69/426935069.db2.gz ZVDNPVUPMHTNJI-NSHDSACASA-N 1 1 304.394 2.598 20 10 DFCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@@H](n2cncn2)C1 ZINC000295387103 426937774 /nfs/dbraw/zinc/93/77/74/426937774.db2.gz PPAPBQFVMWOLHN-LLVKDONJSA-N 1 1 310.760 2.613 20 10 DFCDMO Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(F)cc3O)CC2)n[nH]1 ZINC000275909639 426944774 /nfs/dbraw/zinc/94/47/74/426944774.db2.gz OIRZKGIOQCJQPS-LBPRGKRZSA-N 1 1 318.396 2.882 20 10 DFCDMO C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1ccc(F)cc1O ZINC000283448322 427015994 /nfs/dbraw/zinc/01/59/94/427015994.db2.gz UKIOSTJTDBGWHV-AHIWAGSCSA-N 1 1 323.408 2.750 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276767384 427117979 /nfs/dbraw/zinc/11/79/79/427117979.db2.gz HTWAPFUHYWIAFB-GOSISDBHSA-N 1 1 315.461 2.730 20 10 DFCDMO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1ccc(F)cc1O ZINC000277010800 427132549 /nfs/dbraw/zinc/13/25/49/427132549.db2.gz BWKMMVKJVFYREB-LBPRGKRZSA-N 1 1 316.380 2.641 20 10 DFCDMO CO[C@@H]1C[N@@H+](Cc2ccc(N3CCCCC3)cc2)C[C@@H]1OC ZINC000277108261 427136080 /nfs/dbraw/zinc/13/60/80/427136080.db2.gz HSVGXXUHAUALMS-HDICACEKSA-N 1 1 304.434 2.523 20 10 DFCDMO CCOCC[C@@H](O)C[N@@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000277369181 427180884 /nfs/dbraw/zinc/18/08/84/427180884.db2.gz AERBNOCBVANHSN-GOSISDBHSA-N 1 1 308.466 2.751 20 10 DFCDMO CCC[N@H+](Cc1ccccc1O)C[C@H](O)COCC(F)(F)F ZINC000292554823 427192562 /nfs/dbraw/zinc/19/25/62/427192562.db2.gz HPVPPOCFLYBULT-ZDUSSCGKSA-N 1 1 321.339 2.544 20 10 DFCDMO CC[C@H](C)c1nnc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)[nH]1 ZINC000277460743 427211910 /nfs/dbraw/zinc/21/19/10/427211910.db2.gz QIYSHLVHHUKXLV-VHSXEESVSA-N 1 1 318.377 2.603 20 10 DFCDMO COc1cc(O)c(C[N@@H+]2CCn3cccc3[C@H]2C)cc1OC ZINC000183512288 427283431 /nfs/dbraw/zinc/28/34/31/427283431.db2.gz VEYRTZOEOODKDW-GFCCVEGCSA-N 1 1 302.374 2.788 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCn3cccc3[C@H]2C)cc1OC ZINC000183512288 427283438 /nfs/dbraw/zinc/28/34/38/427283438.db2.gz VEYRTZOEOODKDW-GFCCVEGCSA-N 1 1 302.374 2.788 20 10 DFCDMO COc1cc(O)c(C[N@@H+](C)[C@H](C)c2ccncc2)cc1OC ZINC000183706893 427326067 /nfs/dbraw/zinc/32/60/67/427326067.db2.gz HDBCZMWVSVILQX-GFCCVEGCSA-N 1 1 302.374 2.997 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000293524505 427350332 /nfs/dbraw/zinc/35/03/32/427350332.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 1 1 304.434 2.709 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2CC[C@@]3(C2)CCCN(C)C3)c1 ZINC000293524505 427350337 /nfs/dbraw/zinc/35/03/37/427350337.db2.gz BHSQAFSEONSOTN-SFHVURJKSA-N 1 1 304.434 2.709 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278133652 427415665 /nfs/dbraw/zinc/41/56/65/427415665.db2.gz CMJIMQZBUISDBS-ZWNOBZJWSA-N 1 1 307.287 2.667 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000278133652 427415673 /nfs/dbraw/zinc/41/56/73/427415673.db2.gz CMJIMQZBUISDBS-ZWNOBZJWSA-N 1 1 307.287 2.667 20 10 DFCDMO COc1c(O)c(C[NH2+][C@@H](C)c2cccc(O)c2)ccc1[N+](=O)[O-] ZINC000278791752 427455078 /nfs/dbraw/zinc/45/50/78/427455078.db2.gz WPVHYSPNXDFNNQ-JTQLQIEISA-N 1 1 318.329 2.865 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000278306537 427426494 /nfs/dbraw/zinc/42/64/94/427426494.db2.gz DUWSBRSBHXQRKD-HZMBPMFUSA-N 1 1 319.323 2.536 20 10 DFCDMO C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000278409700 427434481 /nfs/dbraw/zinc/43/44/81/427434481.db2.gz FEKIJWCOSKYNHB-IRXDYDNUSA-N 1 1 319.493 2.904 20 10 DFCDMO COc1c(O)c(C[NH2+]CC2(OC)CCCCC2)ccc1[N+](=O)[O-] ZINC000278463877 427439359 /nfs/dbraw/zinc/43/93/59/427439359.db2.gz FRWPTICWIBBBPD-UHFFFAOYSA-N 1 1 324.377 2.748 20 10 DFCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000278517310 427441229 /nfs/dbraw/zinc/44/12/29/427441229.db2.gz RDVQICMNJIPRRO-MLGOLLRUSA-N 1 1 324.377 2.602 20 10 DFCDMO COc1c(O)c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000278483258 427442148 /nfs/dbraw/zinc/44/21/48/427442148.db2.gz JQVICCKLAJTZFB-OCCSQVGLSA-N 1 1 324.377 2.602 20 10 DFCDMO COc1c(O)c(C[NH2+][C@@H]2C[C@](C)(OC)C2(C)C)ccc1[N+](=O)[O-] ZINC000278517313 427442876 /nfs/dbraw/zinc/44/28/76/427442876.db2.gz RDVQICMNJIPRRO-WBMJQRKESA-N 1 1 324.377 2.602 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CCCC3(C2)OCCO3)c(O)c1 ZINC000184719952 427525857 /nfs/dbraw/zinc/52/58/57/427525857.db2.gz QYGFXPLJLDNFKU-UHFFFAOYSA-N 1 1 307.390 2.520 20 10 DFCDMO COc1ccccc1C[N@@H+](CCO)Cc1cccc(C)c1O ZINC000271725152 427583827 /nfs/dbraw/zinc/58/38/27/427583827.db2.gz LHBNCSZPRYJVHF-UHFFFAOYSA-N 1 1 301.386 2.704 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2cc(Br)cc(C)c2O)C[C@@H]1O ZINC000271776697 427586449 /nfs/dbraw/zinc/58/64/49/427586449.db2.gz DKVDWOFRNQQHRF-MFKMUULPSA-N 1 1 314.223 2.666 20 10 DFCDMO C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1O ZINC000185079185 427592792 /nfs/dbraw/zinc/59/27/92/427592792.db2.gz UYLQXTRZJFYRPD-ZDUSSCGKSA-N 1 1 316.376 2.841 20 10 DFCDMO NC(=O)c1cccc(C[N@@H+](Cc2cc(F)ccc2O)C2CC2)c1 ZINC000294886161 427665461 /nfs/dbraw/zinc/66/54/61/427665461.db2.gz WANHDYWPXHATFN-UHFFFAOYSA-N 1 1 314.360 2.795 20 10 DFCDMO C[C@@H]([NH2+]C[C@@H]1CN(C)CCO1)c1cc(Cl)c(Cl)cc1O ZINC000192978504 427648017 /nfs/dbraw/zinc/64/80/17/427648017.db2.gz HRMRTFCQXSNPHU-NXEZZACHSA-N 1 1 319.232 2.680 20 10 DFCDMO Oc1c(F)cccc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000294945883 427666145 /nfs/dbraw/zinc/66/61/45/427666145.db2.gz HEJZNZXDTQGKLB-GDBMZVCRSA-N 1 1 302.349 2.936 20 10 DFCDMO Cn1cnc(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)n1 ZINC000294974411 427668772 /nfs/dbraw/zinc/66/87/72/427668772.db2.gz ZRMBVELRLUBZNN-KRWDZBQOSA-N 1 1 322.412 2.984 20 10 DFCDMO C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)c1ccc(F)cc1O ZINC000185812841 427711854 /nfs/dbraw/zinc/71/18/54/427711854.db2.gz XWLVSPJZHMMGGD-MLGOLLRUSA-N 1 1 314.360 2.987 20 10 DFCDMO C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C)O2 ZINC000279734272 427717369 /nfs/dbraw/zinc/71/73/69/427717369.db2.gz JXMUTKDESBUZLT-VKJFTORMSA-N 1 1 304.434 2.521 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)C[C@@H](C2CC2)O1 ZINC000369527876 427990147 /nfs/dbraw/zinc/99/01/47/427990147.db2.gz POQBOBCTIZVDLK-KXBFYZLASA-N 1 1 316.445 2.523 20 10 DFCDMO Cc1cc(O)c(CNc2[nH+]cccc2N2CCOCC2)cc1C ZINC000359870089 428053137 /nfs/dbraw/zinc/05/31/37/428053137.db2.gz LJPASIHHIXBPJX-UHFFFAOYSA-N 1 1 313.401 2.853 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CCCO[C@@H]3CCC[C@@H]32)c1O ZINC000370170918 428150708 /nfs/dbraw/zinc/15/07/08/428150708.db2.gz VWUYHYSMWGKYRX-JKSUJKDBSA-N 1 1 307.365 2.877 20 10 DFCDMO CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000372080155 428413063 /nfs/dbraw/zinc/41/30/63/428413063.db2.gz BWLSUJFYDYIMQM-OALUTQOASA-N 1 1 315.461 2.728 20 10 DFCDMO CCn1cnnc1[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC000371381295 428386092 /nfs/dbraw/zinc/38/60/92/428386092.db2.gz DGOUHSTVMWGXKS-CQSZACIVSA-N 1 1 300.406 2.692 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595712 428470223 /nfs/dbraw/zinc/47/02/23/428470223.db2.gz QOSULZGXBPSCMP-DZGCQCFKSA-N 1 1 303.362 2.608 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCO[C@@H](c2noc(C)n2)C1 ZINC000372595712 428470229 /nfs/dbraw/zinc/47/02/29/428470229.db2.gz QOSULZGXBPSCMP-DZGCQCFKSA-N 1 1 303.362 2.608 20 10 DFCDMO CCc1nnc([C@H]2C[N@@H+]([C@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486189 428452550 /nfs/dbraw/zinc/45/25/50/428452550.db2.gz VIHDNOCJIZIFDA-UKRRQHHQSA-N 1 1 316.405 2.597 20 10 DFCDMO CCc1nnc([C@H]2C[N@@H+]([C@@H](CC)c3ccccc3O)CCO2)[nH]1 ZINC000372486187 428453633 /nfs/dbraw/zinc/45/36/33/428453633.db2.gz VIHDNOCJIZIFDA-DZGCQCFKSA-N 1 1 316.405 2.597 20 10 DFCDMO CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1O ZINC000372082278 428415072 /nfs/dbraw/zinc/41/50/72/428415072.db2.gz ZFXWAEWYSARCGG-SJORKVTESA-N 1 1 302.418 2.676 20 10 DFCDMO C[C@H]1CC2(CCC2)C[N@H+]1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000373017611 428512788 /nfs/dbraw/zinc/51/27/88/428512788.db2.gz DLLHVKRAOODLDH-HNNXBMFYSA-N 1 1 315.461 2.633 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CC[S@](=O)CC[C@H]2C)cc1 ZINC000373038780 428514590 /nfs/dbraw/zinc/51/45/90/428514590.db2.gz WQEQJIMCUUUJKF-QVKFZJNVSA-N 1 1 308.491 2.876 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CC[S@](=O)CC[C@H]2C)cc1 ZINC000373038780 428514597 /nfs/dbraw/zinc/51/45/97/428514597.db2.gz WQEQJIMCUUUJKF-QVKFZJNVSA-N 1 1 308.491 2.876 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3n[nH]c(C)n3)CC2)c1 ZINC000372600289 428474455 /nfs/dbraw/zinc/47/44/55/428474455.db2.gz JVXAIKBJYLPMSH-NSHDSACASA-N 1 1 316.405 2.768 20 10 DFCDMO COc1ccc(O)c([C@H](C)[NH+]2CCC(c3nnc(C)[nH]3)CC2)c1 ZINC000372600289 428474458 /nfs/dbraw/zinc/47/44/58/428474458.db2.gz JVXAIKBJYLPMSH-NSHDSACASA-N 1 1 316.405 2.768 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3n[nH]c(C)n3)CC2)c1 ZINC000372600288 428474850 /nfs/dbraw/zinc/47/48/50/428474850.db2.gz JVXAIKBJYLPMSH-LLVKDONJSA-N 1 1 316.405 2.768 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[NH+]2CCC(c3nnc(C)[nH]3)CC2)c1 ZINC000372600288 428474855 /nfs/dbraw/zinc/47/48/55/428474855.db2.gz JVXAIKBJYLPMSH-LLVKDONJSA-N 1 1 316.405 2.768 20 10 DFCDMO CC[C@@H]1C[N@@H+](Cc2cccc(OC)c2O)C[C@@]2(CCCOC2)O1 ZINC000373464309 428584278 /nfs/dbraw/zinc/58/42/78/428584278.db2.gz DSUWAQJSDDNREQ-CRAIPNDOSA-N 1 1 321.417 2.561 20 10 DFCDMO CCOc1ccc(O)c(C[N@H+]2C[C@@H](CC)O[C@]3(CCOC3)C2)c1 ZINC000373484348 428587147 /nfs/dbraw/zinc/58/71/47/428587147.db2.gz XLDISHDFOGNBEB-CRAIPNDOSA-N 1 1 321.417 2.561 20 10 DFCDMO Oc1cc2c(cc1C[N@H+]1CC[C@H](Oc3ccccc3)C1)OCO2 ZINC000361524283 428573890 /nfs/dbraw/zinc/57/38/90/428573890.db2.gz BXGIAAFKQSWMKV-HNNXBMFYSA-N 1 1 313.353 2.774 20 10 DFCDMO COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2Cc2cccc(F)c2O)c1 ZINC000374361989 428675826 /nfs/dbraw/zinc/67/58/26/428675826.db2.gz YIJXFUBOUPZSBE-PBHICJAKSA-N 1 1 317.360 2.848 20 10 DFCDMO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cccc(F)c2O)c1 ZINC000374361989 428675831 /nfs/dbraw/zinc/67/58/31/428675831.db2.gz YIJXFUBOUPZSBE-PBHICJAKSA-N 1 1 317.360 2.848 20 10 DFCDMO CCOCc1cc(C[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1OC ZINC000374544950 428696185 /nfs/dbraw/zinc/69/61/85/428696185.db2.gz JMQVOXCUQUSGKJ-INIZCTEOSA-N 1 1 315.417 2.602 20 10 DFCDMO COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2Cc2cccc(F)c2O)c1 ZINC000374361990 428677265 /nfs/dbraw/zinc/67/72/65/428677265.db2.gz YIJXFUBOUPZSBE-RHSMWYFYSA-N 1 1 317.360 2.848 20 10 DFCDMO COc1cccc([C@H]2C[C@@H](O)C[N@H+]2Cc2cccc(F)c2O)c1 ZINC000374361990 428677269 /nfs/dbraw/zinc/67/72/69/428677269.db2.gz YIJXFUBOUPZSBE-RHSMWYFYSA-N 1 1 317.360 2.848 20 10 DFCDMO COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371029 428677846 /nfs/dbraw/zinc/67/78/46/428677846.db2.gz HWLGBHJMACDTGT-WBVHZDCISA-N 1 1 317.360 2.848 20 10 DFCDMO COc1cccc([C@@H]2C[C@H](O)C[N@H+]2Cc2cc(F)ccc2O)c1 ZINC000374371028 428677853 /nfs/dbraw/zinc/67/78/53/428677853.db2.gz HWLGBHJMACDTGT-RDJZCZTQSA-N 1 1 317.360 2.848 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)c1O ZINC000374412920 428679774 /nfs/dbraw/zinc/67/97/74/428679774.db2.gz WGUKKCVFKJHYEM-STQMWFEESA-N 1 1 307.365 2.592 20 10 DFCDMO O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000374908174 428782918 /nfs/dbraw/zinc/78/29/18/428782918.db2.gz GVJQXUFTTQXFRW-CQSZACIVSA-N 1 1 306.381 2.508 20 10 DFCDMO O=C1CCCCN1[C@@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000374908174 428782925 /nfs/dbraw/zinc/78/29/25/428782925.db2.gz GVJQXUFTTQXFRW-CQSZACIVSA-N 1 1 306.381 2.508 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c1O ZINC000362621277 428794540 /nfs/dbraw/zinc/79/45/40/428794540.db2.gz IPPWTDWVICMAEV-AWEZNQCLSA-N 1 1 313.401 2.961 20 10 DFCDMO Cc1cccc(C[N@H+]2CCCN(c3cncc(F)c3)CC2)c1O ZINC000364291248 429176572 /nfs/dbraw/zinc/17/65/72/429176572.db2.gz OXRZNAOGVJBYPD-UHFFFAOYSA-N 1 1 315.392 2.947 20 10 DFCDMO Oc1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000364470496 429208948 /nfs/dbraw/zinc/20/89/48/429208948.db2.gz CHXDNKGAFNBBFN-SNVBAGLBSA-N 1 1 315.772 2.960 20 10 DFCDMO OC[C@H]1CCc2ccccc2[C@@H]1[NH2+]Cc1cccc(F)c1O ZINC000365256080 429288362 /nfs/dbraw/zinc/28/83/62/429288362.db2.gz LTLIZBPHFHZPCK-RHSMWYFYSA-N 1 1 301.361 2.917 20 10 DFCDMO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000366487148 429461529 /nfs/dbraw/zinc/46/15/29/429461529.db2.gz MQKQDUOGZBYAQV-RDTXWAMCSA-N 1 1 322.424 2.662 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)C[C@@]2(CCCOC2)O1 ZINC000366487148 429461533 /nfs/dbraw/zinc/46/15/33/429461533.db2.gz MQKQDUOGZBYAQV-RDTXWAMCSA-N 1 1 322.424 2.662 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]3CCOC[C@H]32)cc1 ZINC000366488454 429461917 /nfs/dbraw/zinc/46/19/17/429461917.db2.gz JAPNIFMIXVADDG-QZTJIDSGSA-N 1 1 304.434 2.523 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]3CCOC[C@H]32)cc1 ZINC000366488454 429461921 /nfs/dbraw/zinc/46/19/21/429461921.db2.gz JAPNIFMIXVADDG-QZTJIDSGSA-N 1 1 304.434 2.523 20 10 DFCDMO COc1cncc(/C=C\C(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000492521569 429555387 /nfs/dbraw/zinc/55/53/87/429555387.db2.gz MROBLVBHIBERTQ-FPLPWBNLSA-N 1 1 323.396 2.582 20 10 DFCDMO COc1cncc(/C=C\C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000492521569 429555390 /nfs/dbraw/zinc/55/53/90/429555390.db2.gz MROBLVBHIBERTQ-FPLPWBNLSA-N 1 1 323.396 2.582 20 10 DFCDMO Cc1ccncc1/C=C\C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000492430393 429536006 /nfs/dbraw/zinc/53/60/06/429536006.db2.gz YAMSHNBDKZTORM-FPLPWBNLSA-N 1 1 307.397 2.882 20 10 DFCDMO Cc1ccncc1/C=C\C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000492430393 429536009 /nfs/dbraw/zinc/53/60/09/429536009.db2.gz YAMSHNBDKZTORM-FPLPWBNLSA-N 1 1 307.397 2.882 20 10 DFCDMO CCOc1ccc(O)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657878 /nfs/dbraw/zinc/65/78/78/429657878.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 1 1 316.445 2.707 20 10 DFCDMO CCOc1ccc(O)c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657880 /nfs/dbraw/zinc/65/78/80/429657880.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 1 1 316.445 2.707 20 10 DFCDMO CCOc1ccc(O)c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000367472256 429657885 /nfs/dbraw/zinc/65/78/85/429657885.db2.gz HGMGASMYAGXTNL-NXHRZFHOSA-N 1 1 316.445 2.707 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1O ZINC000280506427 276380189 /nfs/dbraw/zinc/38/01/89/276380189.db2.gz PZJXLFHYURFXQS-CQSZACIVSA-N 1 1 321.417 2.561 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1C[C@@H](CC)[C@H](N2CCOCC2)C1 ZINC000368795289 429894144 /nfs/dbraw/zinc/89/41/44/429894144.db2.gz FBTBXKRMRIOAKE-KBAYOESNSA-N 1 1 318.461 2.886 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000368824250 429896803 /nfs/dbraw/zinc/89/68/03/429896803.db2.gz KYFUEUUABITYOL-MRXNPFEDSA-N 1 1 312.417 2.758 20 10 DFCDMO Cc1cc(O)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)cc1C ZINC000369082049 429911682 /nfs/dbraw/zinc/91/16/82/429911682.db2.gz DDXVTVAWGNKPLQ-MAUKXSAKSA-N 1 1 305.418 2.779 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529675798 430050619 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ZINC000298735373 282288919 /nfs/dbraw/zinc/28/89/19/282288919.db2.gz UUJVNBGZAYIQCF-SFHVURJKSA-N 1 1 320.477 2.893 20 10 DFCDMO COc1cc(C[N@@H+](C)Cc2ccccc2O)cc2c1OCO2 ZINC000091956443 193132260 /nfs/dbraw/zinc/13/22/60/193132260.db2.gz FIVXPFINTSKGKE-UHFFFAOYSA-N 1 1 301.342 2.762 20 10 DFCDMO COc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c1O ZINC000093360270 193238220 /nfs/dbraw/zinc/23/82/20/193238220.db2.gz MVGMCVUKIXOQCQ-GFCCVEGCSA-N 1 1 324.421 2.746 20 10 DFCDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000066203547 184396615 /nfs/dbraw/zinc/39/66/15/184396615.db2.gz VKBBVSDVFMNEFC-OAHLLOKOSA-N 1 1 320.481 2.624 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2ccc(C)nc2)c1 ZINC000273360862 130110461 /nfs/dbraw/zinc/11/04/61/130110461.db2.gz CWULZISJSZUWHN-LBPRGKRZSA-N 1 1 300.358 2.733 20 10 DFCDMO Cc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2O)c1 ZINC000273371023 130112975 /nfs/dbraw/zinc/11/29/75/130112975.db2.gz GFIULLZOOLNHSU-CYBMUJFWSA-N 1 1 316.376 2.920 20 10 DFCDMO Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273444738 130122368 /nfs/dbraw/zinc/12/23/68/130122368.db2.gz ZPQZNDJPCWERJZ-LLVKDONJSA-N 1 1 304.350 2.546 20 10 DFCDMO CC[C@H](C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1O)N1CCCC1 ZINC000273444816 130122435 /nfs/dbraw/zinc/12/24/35/130122435.db2.gz ZTDWYQQKTZMZJJ-DZGCQCFKSA-N 1 1 320.433 2.704 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H]2CCOC(C)(C)C2)c1 ZINC000273456750 130124385 /nfs/dbraw/zinc/12/43/85/130124385.db2.gz HFSOTJFYRZOWFB-WCQYABFASA-N 1 1 307.390 2.787 20 10 DFCDMO C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)c1ccc(F)cc1O ZINC000273483295 130126545 /nfs/dbraw/zinc/12/65/45/130126545.db2.gz MORZUOHBIAQQJI-XHDPSFHLSA-N 1 1 307.340 2.925 20 10 DFCDMO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CN2CCN(C)CC2)c(O)c1C ZINC000273595810 130142189 /nfs/dbraw/zinc/14/21/89/130142189.db2.gz QLOUJDCCRJJZKR-WMLDXEAASA-N 1 1 319.493 2.543 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2cn(C)nc2C)c1 ZINC000273607277 130142962 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CCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)Cc1ccccc1O ZINC000076074002 426097737 /nfs/dbraw/zinc/09/77/37/426097737.db2.gz YWRJCQXREXAJFO-HNNXBMFYSA-N 1 1 304.434 2.863 20 10 DFCDMO CN(C)c1ccc(C[NH+]2CCC(c3ccn[nH]3)CC2)cc1F ZINC000128185521 426105344 /nfs/dbraw/zinc/10/53/44/426105344.db2.gz XFFOGJGCIVWNRP-UHFFFAOYSA-N 1 1 302.397 2.994 20 10 DFCDMO COc1ccc(N2CCC[N@H+](Cc3ncc(C)o3)CC2)cc1 ZINC000075643576 426079952 /nfs/dbraw/zinc/07/99/52/426079952.db2.gz HTQJPHXXFHLJCA-UHFFFAOYSA-N 1 1 301.390 2.704 20 10 DFCDMO COc1ccc(N2CCC[N@@H+](Cc3ncc(C)o3)CC2)cc1 ZINC000075643576 426079956 /nfs/dbraw/zinc/07/99/56/426079956.db2.gz HTQJPHXXFHLJCA-UHFFFAOYSA-N 1 1 301.390 2.704 20 10 DFCDMO Cc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2O)cc1 ZINC000170789601 426150677 /nfs/dbraw/zinc/15/06/77/426150677.db2.gz KXMNLSNWQWLYKL-ZDUSSCGKSA-N 1 1 316.376 2.920 20 10 DFCDMO CN(C)c1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1F ZINC000121208919 426324601 /nfs/dbraw/zinc/32/46/01/426324601.db2.gz RQNXAEFUJBAONU-AWEZNQCLSA-N 1 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COc1c(O)c(C[N@H+]2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000290236908 426723646 /nfs/dbraw/zinc/72/36/46/426723646.db2.gz UGLKFHRHFHWYHU-GFCCVEGCSA-N 1 1 306.362 2.931 20 10 DFCDMO COCC[C@@H](CO)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000281686826 426745570 /nfs/dbraw/zinc/74/55/70/426745570.db2.gz RUIVOSMZYNXDBK-BDAKNGLRSA-N 1 1 308.205 2.747 20 10 DFCDMO Cc1cc(Cl)cc(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245608033 426757113 /nfs/dbraw/zinc/75/71/13/426757113.db2.gz AAPHOAUFLWFWMM-CABCVRRESA-N 1 1 311.809 2.734 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245608033 426757115 /nfs/dbraw/zinc/75/71/15/426757115.db2.gz AAPHOAUFLWFWMM-CABCVRRESA-N 1 1 311.809 2.734 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000245684786 426763264 /nfs/dbraw/zinc/76/32/64/426763264.db2.gz AEZHCBDSARNBRP-RTBURBONSA-N 1 1 318.461 2.913 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@@H]([C@H]3CCCO3)C2)cc1 ZINC000245684786 426763271 /nfs/dbraw/zinc/76/32/71/426763271.db2.gz AEZHCBDSARNBRP-RTBURBONSA-N 1 1 318.461 2.913 20 10 DFCDMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1O ZINC000179581674 426801337 /nfs/dbraw/zinc/80/13/37/426801337.db2.gz CWKYQLXSRYEFNF-AWEZNQCLSA-N 1 1 306.406 2.881 20 10 DFCDMO Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000290629030 426809543 /nfs/dbraw/zinc/80/95/43/426809543.db2.gz XVYPMUUSJRHGRL-ZDUSSCGKSA-N 1 1 315.373 2.798 20 10 DFCDMO COc1ccc(O)c(C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000179694410 426812021 /nfs/dbraw/zinc/81/20/21/426812021.db2.gz CHLISSURNBCOIR-UHFFFAOYSA-N 1 1 302.330 2.941 20 10 DFCDMO Cn1cc([C@@H]2CC[N@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000295262129 426881806 /nfs/dbraw/zinc/88/18/06/426881806.db2.gz GYDOKVMVWNUSDR-SNVBAGLBSA-N 1 1 309.772 2.908 20 10 DFCDMO Cn1cc([C@@H]2CC[N@@H+](Cc3cc(Cl)c(F)cc3O)C2)cn1 ZINC000295262129 426881812 /nfs/dbraw/zinc/88/18/12/426881812.db2.gz GYDOKVMVWNUSDR-SNVBAGLBSA-N 1 1 309.772 2.908 20 10 DFCDMO CCCC[N@@H+](CCCN1CCOCC1)Cc1ccccc1O ZINC000282377339 426894133 /nfs/dbraw/zinc/89/41/33/426894133.db2.gz FRDWHVGIKZBGGB-UHFFFAOYSA-N 1 1 306.450 2.717 20 10 DFCDMO Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(F)cc3O)CC2)n[nH]1 ZINC000275909636 426946293 /nfs/dbraw/zinc/94/62/93/426946293.db2.gz OIRZKGIOQCJQPS-GFCCVEGCSA-N 1 1 318.396 2.882 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H]3CCCCN3C[C@H]2C)c1O ZINC000316777150 426948730 /nfs/dbraw/zinc/94/87/30/426948730.db2.gz AATSPOWPJSZWRN-GDBMZVCRSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1cccc(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1O ZINC000316777150 426948741 /nfs/dbraw/zinc/94/87/41/426948741.db2.gz AATSPOWPJSZWRN-GDBMZVCRSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1cccc(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1O ZINC000316777150 426948745 /nfs/dbraw/zinc/94/87/45/426948745.db2.gz AATSPOWPJSZWRN-GDBMZVCRSA-N 1 1 304.434 2.850 20 10 DFCDMO [O-]c1cc(F)c(Cl)cc1C[N@H+]1CCC[C@H](n2cncn2)C1 ZINC000295387104 426936037 /nfs/dbraw/zinc/93/60/37/426936037.db2.gz 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COc1cc(O)c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000293902581 427482684 /nfs/dbraw/zinc/48/26/84/427482684.db2.gz FMOXKQJDXSJNDH-ZWKOTPCHSA-N 1 1 319.401 2.553 20 10 DFCDMO COc1cc(O)c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cc1OC ZINC000293902581 427482692 /nfs/dbraw/zinc/48/26/92/427482692.db2.gz FMOXKQJDXSJNDH-ZWKOTPCHSA-N 1 1 319.401 2.553 20 10 DFCDMO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1O ZINC000278227046 427424929 /nfs/dbraw/zinc/42/49/29/427424929.db2.gz JRNSPVPGBOOCIB-SFYZADRCSA-N 1 1 305.205 2.874 20 10 DFCDMO C[C@@H]1C[N@H+](Cc2cccc(F)c2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278325682 427430912 /nfs/dbraw/zinc/43/09/12/427430912.db2.gz GORBUXQHYNWTPT-BXUZGUMPSA-N 1 1 324.396 2.876 20 10 DFCDMO C[C@@H]1C[N@@H+](Cc2cccc(F)c2O)C[C@H]1NC(=O)OC(C)(C)C ZINC000278325682 427430916 /nfs/dbraw/zinc/43/09/16/427430916.db2.gz GORBUXQHYNWTPT-BXUZGUMPSA-N 1 1 324.396 2.876 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000278416663 427436184 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DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000271717403 427586138 /nfs/dbraw/zinc/58/61/38/427586138.db2.gz IYMFFHDQHSGLQU-LBPRGKRZSA-N 1 1 317.389 2.512 20 10 DFCDMO COc1ccc(O)c(C[NH2+]Cc2csc([C@H](C)OC)n2)c1 ZINC000271855999 427591039 /nfs/dbraw/zinc/59/10/39/427591039.db2.gz USPYHLKUHPKMBG-JTQLQIEISA-N 1 1 308.403 2.855 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000294459523 427642354 /nfs/dbraw/zinc/64/23/54/427642354.db2.gz YUCVKHSYVHPSJF-GXTWGEPZSA-N 1 1 317.813 2.891 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000294459523 427642357 /nfs/dbraw/zinc/64/23/57/427642357.db2.gz YUCVKHSYVHPSJF-GXTWGEPZSA-N 1 1 317.813 2.891 20 10 DFCDMO COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1O ZINC000193063328 427657928 /nfs/dbraw/zinc/65/79/28/427657928.db2.gz CSXNEDIRFLDMFQ-IUCAKERBSA-N 1 1 308.205 2.747 20 10 DFCDMO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)cc1C ZINC000294826743 427660933 /nfs/dbraw/zinc/66/09/33/427660933.db2.gz 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CCOc1cccc(C[N@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c1O ZINC000289985418 426678773 /nfs/dbraw/zinc/67/87/73/426678773.db2.gz ZYFRRDXHHUVYPH-DEOKDLAOSA-N 1 1 311.447 2.522 20 10 DFCDMO CCOc1cccc(C[N@@H+]2C[C@@H](CC)[S@](=O)[C@@H](C)C2)c1O ZINC000289985418 426678780 /nfs/dbraw/zinc/67/87/80/426678780.db2.gz ZYFRRDXHHUVYPH-DEOKDLAOSA-N 1 1 311.447 2.522 20 10 DFCDMO Cn1ncc(C[N@@H+](Cc2ccccc2O)C2CCCCC2)n1 ZINC000290020032 426679568 /nfs/dbraw/zinc/67/95/68/426679568.db2.gz PFIQIIYPCKCKIL-UHFFFAOYSA-N 1 1 300.406 2.856 20 10 DFCDMO C[C@H]([NH2+][C@H]1COc2ccccc2[C@H]1O)c1ccc(F)cc1O ZINC000290154960 426704191 /nfs/dbraw/zinc/70/41/91/426704191.db2.gz CWTNXMXXRZGTQH-RMLVOYDJSA-N 1 1 303.333 2.677 20 10 DFCDMO C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1O ZINC000245792429 426771929 /nfs/dbraw/zinc/77/19/29/426771929.db2.gz CPNYRMNCKWGCNA-KFWWJZLASA-N 1 1 304.434 2.717 20 10 DFCDMO C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1O ZINC000245819865 426773413 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CN(c1ccc(C[NH2+]Cc2cnn(C)n2)cc1)C1CCCCC1 ZINC000293557614 427363529 /nfs/dbraw/zinc/36/35/29/427363529.db2.gz LVBBSPXMIKMECH-UHFFFAOYSA-N 1 1 313.449 2.874 20 10 DFCDMO CC[N@@H+](Cc1cnn(CCOC)c1)Cc1ccc(N(C)C)cc1 ZINC000271003445 427366667 /nfs/dbraw/zinc/36/66/67/427366667.db2.gz MMJWAVQXZDXUSD-UHFFFAOYSA-N 1 1 316.449 2.618 20 10 DFCDMO CCCN(CCC)c1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000271260418 427471808 /nfs/dbraw/zinc/47/18/08/427471808.db2.gz GZTKRYQSTKBHPR-MRXNPFEDSA-N 1 1 318.465 2.556 20 10 DFCDMO COc1c(O)c(C[N@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000278223450 427425355 /nfs/dbraw/zinc/42/53/55/427425355.db2.gz LULJKRJZYPRMIU-JTQLQIEISA-N 1 1 314.407 2.882 20 10 DFCDMO COc1c(O)c(C[N@@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000278223450 427425358 /nfs/dbraw/zinc/42/53/58/427425358.db2.gz LULJKRJZYPRMIU-JTQLQIEISA-N 1 1 314.407 2.882 20 10 DFCDMO COc1c(O)c(C[N@H+]2CCS[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000278166039 427425476 /nfs/dbraw/zinc/42/54/76/427425476.db2.gz 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CCFXCEKDXDTVJH-MSOLQXFVSA-N 1 1 304.434 2.523 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 ZINC000373974911 428656588 /nfs/dbraw/zinc/65/65/88/428656588.db2.gz FZBJRWCAQCHWHK-SUNYJGFJSA-N 1 1 321.417 2.559 20 10 DFCDMO CC(=O)c1cc(F)cc(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1O ZINC000374189807 428667682 /nfs/dbraw/zinc/66/76/82/428667682.db2.gz LHZWYVNRFNAYFX-SJORKVTESA-N 1 1 320.408 2.793 20 10 DFCDMO CC(=O)c1cc(F)cc(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1O ZINC000374189804 428668452 /nfs/dbraw/zinc/66/84/52/428668452.db2.gz LHZWYVNRFNAYFX-IAGOWNOFSA-N 1 1 320.408 2.793 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CC(C)(C)O[C@@H]3CCC[C@H]32)cc1OC ZINC000374251860 428669915 /nfs/dbraw/zinc/66/99/15/428669915.db2.gz ZUNNSDZFDOHJLM-UKRRQHHQSA-N 1 1 321.417 2.941 20 10 DFCDMO CN(C)c1ccc(C2=CC[N@H+]([C@@H](C(N)=O)c3ccccc3)C2)cc1 ZINC000374325657 428674074 /nfs/dbraw/zinc/67/40/74/428674074.db2.gz PVBVPMVUJXAPHT-LJQANCHMSA-N 1 1 321.424 2.678 20 10 DFCDMO COc1ccc(N2CCC([N@@H+](C)Cc3cc[nH]n3)CC2)cc1 ZINC000362388503 428728560 /nfs/dbraw/zinc/72/85/60/428728560.db2.gz FWFIBYXUEWKVRZ-UHFFFAOYSA-N 1 1 300.406 2.519 20 10 DFCDMO Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)c1ccc(F)cc1O)C2 ZINC000363862395 428998826 /nfs/dbraw/zinc/99/88/26/428998826.db2.gz IUYPUBXLYFLDBQ-YGRLFVJLSA-N 1 1 301.365 2.838 20 10 DFCDMO C[C@@H]1[N@@H+](Cc2cc3c(cc2O)OCO3)CCC12CCOCC2 ZINC000363864147 428999616 /nfs/dbraw/zinc/99/96/16/428999616.db2.gz CKDACIPIEQELGY-LBPRGKRZSA-N 1 1 305.374 2.512 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000366692402 429496536 /nfs/dbraw/zinc/49/65/36/429496536.db2.gz SAERKPGBASUODB-MRXNPFEDSA-N 1 1 312.417 2.758 20 10 DFCDMO CCc1noc([C@H]2C[C@H](O)C[N@@H+]2[C@H](CC)c2ccccc2O)n1 ZINC000368040704 429773592 /nfs/dbraw/zinc/77/35/92/429773592.db2.gz SMXAVGUJJPVHPZ-IACUBPJLSA-N 1 1 317.389 2.597 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CCc2ncnc(N(C)C)c2C1 ZINC000368824249 429896462 /nfs/dbraw/zinc/89/64/62/429896462.db2.gz KYFUEUUABITYOL-INIZCTEOSA-N 1 1 312.417 2.758 20 10 DFCDMO C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)CC2(CCOCC2)O1 ZINC000369128841 429914619 /nfs/dbraw/zinc/91/46/19/429914619.db2.gz YOINOWBUDWULBS-LBPRGKRZSA-N 1 1 311.809 2.816 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H](N3CCCCC3=O)C2)cc1C ZINC000369278557 429922275 /nfs/dbraw/zinc/92/22/75/429922275.db2.gz RXOAZEXBVGWVBL-QGZVFWFLSA-N 1 1 316.445 2.986 20 10 DFCDMO COc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1O ZINC000289737659 278010468 /nfs/dbraw/zinc/01/04/68/278010468.db2.gz PYKCSXPBDPGZKL-CQSZACIVSA-N 1 1 319.323 2.680 20 10 DFCDMO COc1cccc(C[N@H+]2CCOc3cc(O)ccc3C2)c1O ZINC000289857864 278010905 /nfs/dbraw/zinc/01/09/05/278010905.db2.gz VHQLVKKGEPCWPB-UHFFFAOYSA-N 1 1 301.342 2.501 20 10 DFCDMO CC(C)[N@@H+](CC(=O)N(C)C1CC1)Cc1ccc(N(C)C)cc1 ZINC000299197970 279398609 /nfs/dbraw/zinc/39/86/09/279398609.db2.gz LBKJMBTUBCROSM-UHFFFAOYSA-N 1 1 303.450 2.584 20 10 DFCDMO CCOc1cccc(C[N@H+]2CCCNC(=O)[C@@H]2CC(C)C)c1O ZINC000293514043 335111268 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428446937 /nfs/dbraw/zinc/44/69/37/428446937.db2.gz XTXPUZIAMJWPAH-SFHVURJKSA-N 1 1 315.461 2.730 20 10 DFCDMO Cc1cc(Cl)cc(C[NH+]2CCC(c3nc[nH]n3)CC2)c1O ZINC000360809576 428447746 /nfs/dbraw/zinc/44/77/46/428447746.db2.gz KWLQYKUEADWHNC-UHFFFAOYSA-N 1 1 306.797 2.852 20 10 DFCDMO C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372544731 428460478 /nfs/dbraw/zinc/46/04/78/428460478.db2.gz LYORPGCPJBSTLW-LBPRGKRZSA-N 1 1 305.809 2.937 20 10 DFCDMO C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372544731 428460487 /nfs/dbraw/zinc/46/04/87/428460487.db2.gz LYORPGCPJBSTLW-LBPRGKRZSA-N 1 1 305.809 2.937 20 10 DFCDMO Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2Cc2ccccc2O)n1 ZINC000361052166 428532043 /nfs/dbraw/zinc/53/20/43/428532043.db2.gz MAZCRLPZJBCQEN-INIZCTEOSA-N 1 1 300.406 2.655 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000373477849 428588357 /nfs/dbraw/zinc/58/83/57/428588357.db2.gz CCFXCEKDXDTVJH-ZWKOTPCHSA-N 1 1 304.434 2.523 20 10 DFCDMO Cc1cccc(C[N@H+]2CC(C)(C)O[C@@]3(CCCOC3)C2)c1O ZINC000373605567 428619129 /nfs/dbraw/zinc/61/91/29/428619129.db2.gz YTHHVLHKGDZTGX-SFHVURJKSA-N 1 1 305.418 2.861 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCCN(c3nccs3)CC2)c1 ZINC000179849648 274114536 /nfs/dbraw/zinc/11/45/36/274114536.db2.gz KOBBJUVFCPUFAS-UHFFFAOYSA-N 1 1 319.430 2.570 20 10 DFCDMO NC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@H+]1Cc1c(O)ccc2ccccc21 ZINC000373738115 428644903 /nfs/dbraw/zinc/64/49/03/428644903.db2.gz NFPBDAFAUPERTA-YEWWUXTCSA-N 1 1 310.397 2.631 20 10 DFCDMO C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374325624 428675009 /nfs/dbraw/zinc/67/50/09/428675009.db2.gz PKIMEMVSVRUNRL-AWEZNQCLSA-N 1 1 315.461 2.755 20 10 DFCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789399 428754161 /nfs/dbraw/zinc/75/41/61/428754161.db2.gz VIZNELWVDOPZFO-HUUCEWRRSA-N 1 1 315.461 2.755 20 10 DFCDMO CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC=C(c2ccc(N(C)C)cc2)C1 ZINC000374789399 428754164 /nfs/dbraw/zinc/75/41/64/428754164.db2.gz VIZNELWVDOPZFO-HUUCEWRRSA-N 1 1 315.461 2.755 20 10 DFCDMO Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)c1ccc(F)cc1O)C2 ZINC000363862391 429000622 /nfs/dbraw/zinc/00/06/22/429000622.db2.gz IUYPUBXLYFLDBQ-HZMBPMFUSA-N 1 1 301.365 2.838 20 10 DFCDMO CCOc1cccc(C[N@@H+](C)C[C@H]2CCc3nccn3C2)c1O ZINC000364668518 429245385 /nfs/dbraw/zinc/24/53/85/429245385.db2.gz AXRPHVDDSLCXIP-CQSZACIVSA-N 1 1 315.417 2.682 20 10 DFCDMO CCN(CC)c1ccc(C[N@@H+]2CCO[C@H]3CCOC[C@@H]32)cc1 ZINC000366488455 429461961 /nfs/dbraw/zinc/46/19/61/429461961.db2.gz JAPNIFMIXVADDG-ROUUACIJSA-N 1 1 304.434 2.523 20 10 DFCDMO CCN(CC)c1ccc(C[N@H+]2CCO[C@H]3CCOC[C@@H]32)cc1 ZINC000366488455 429461963 /nfs/dbraw/zinc/46/19/63/429461963.db2.gz JAPNIFMIXVADDG-ROUUACIJSA-N 1 1 304.434 2.523 20 10 DFCDMO [O-]c1c(F)cccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367027364 429562416 /nfs/dbraw/zinc/56/24/16/429562416.db2.gz QXEQRHCNWVLGAJ-GFCCVEGCSA-N 1 1 303.337 2.781 20 10 DFCDMO Oc1c(F)cccc1C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367027364 429562418 /nfs/dbraw/zinc/56/24/18/429562418.db2.gz QXEQRHCNWVLGAJ-GFCCVEGCSA-N 1 1 303.337 2.781 20 10 DFCDMO Oc1c(F)cccc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000367027364 429562421 /nfs/dbraw/zinc/56/24/21/429562421.db2.gz QXEQRHCNWVLGAJ-GFCCVEGCSA-N 1 1 303.337 2.781 20 10 DFCDMO CC[C@H](c1ccccc1O)[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000367308716 429616351 /nfs/dbraw/zinc/61/63/51/429616351.db2.gz QSJIKNSYCSVCEJ-CVEARBPZSA-N 1 1 314.433 2.945 20 10 DFCDMO CCOc1ccc(O)c(C[N@@H+](CCO)Cc2ccccc2)c1 ZINC000270980011 276375133 /nfs/dbraw/zinc/37/51/33/276375133.db2.gz CTGCRPMMZYERHT-UHFFFAOYSA-N 1 1 301.386 2.785 20 10 DFCDMO CCOc1cccc(C[N@@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1O ZINC000289626217 276379994 /nfs/dbraw/zinc/37/99/94/276379994.db2.gz LUECUPVZCUCABI-GOEBONIOSA-N 1 1 304.434 2.850 20 10 DFCDMO CCOc1cccc(C[N@H+]2C[C@H](N3CCCC3)C[C@@H]2C)c1O ZINC000289626217 276379996 /nfs/dbraw/zinc/37/99/96/276379996.db2.gz LUECUPVZCUCABI-GOEBONIOSA-N 1 1 304.434 2.850 20 10 DFCDMO C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)c1ccc(F)cc1O ZINC000368478742 429855257 /nfs/dbraw/zinc/85/52/57/429855257.db2.gz VVMWTNIMQPZRFR-GFCCVEGCSA-N 1 1 303.381 2.957 20 10 DFCDMO COc1ccc(O)c([C@@H](C)[N@H+]2C[C@@H](C)OC3(CCOCC3)C2)c1 ZINC000368568452 429868091 /nfs/dbraw/zinc/86/80/91/429868091.db2.gz QQOWNSDTCZUFGV-ZIAGYGMSSA-N 1 1 321.417 2.732 20 10 DFCDMO CN1CCC[C@]2(CC[N@@H+](Cc3c(O)ccc4ccccc43)C2)C1=O ZINC000368720118 429890193 /nfs/dbraw/zinc/89/01/93/429890193.db2.gz VKJQNPPQHPIXFG-HXUWFJFHSA-N 1 1 324.424 2.990 20 10 DFCDMO Oc1ccccc1C[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000369037620 429909082 /nfs/dbraw/zinc/90/90/82/429909082.db2.gz YEWJRYCERCCGNE-UHFFFAOYSA-N 1 1 301.365 2.639 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(Cl)c1 ZINC000529685225 430051002 /nfs/dbraw/zinc/05/10/02/430051002.db2.gz ZOPCPVAMOIGMCV-XAAFQQQXSA-N 1 1 313.850 2.839 20 10 DFCDMO CC[C@@H]([NH2+][C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1O ZINC000363753934 332240016 /nfs/dbraw/zinc/24/00/16/332240016.db2.gz VYFFXLSJVHBGGO-HUUCEWRRSA-N 1 1 317.410 2.962 20 10 DFCDMO Oc1cc(F)c(Cl)cc1C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000293738206 335112845 /nfs/dbraw/zinc/11/28/45/335112845.db2.gz WYTNHTDBDFRZLF-JKSUJKDBSA-N 1 1 307.752 2.933 20 10 DFCDMO Cc1ccc([C@H](C)[NH2+]C2CCN(C[C@@H]3CCOC3)CC2)c(O)c1 ZINC000185492337 333209237 /nfs/dbraw/zinc/20/92/37/333209237.db2.gz DBJPXTAWJMIBRQ-HOTGVXAUSA-N 1 1 318.461 2.852 20 10 DFCDMO COC1CCN(c2ccc(C[N@H+]3CC[C@@H]([C@@H](C)O)C3)cc2)CC1 ZINC000294933034 335128768 /nfs/dbraw/zinc/12/87/68/335128768.db2.gz HMPJHXPILZNWCJ-NVXWUHKLSA-N 1 1 318.461 2.505 20 10 DFCDMO CCCOc1ccc(C[N@H+]2CC[C@@H](C(=O)OC)[C@H](C)C2)c(O)c1 ZINC000188107641 333241556 /nfs/dbraw/zinc/24/15/56/333241556.db2.gz WYYRINXBJBNQFB-CZUORRHYSA-N 1 1 321.417 2.812 20 10 DFCDMO Oc1ccc(Br)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000311002955 333277147 /nfs/dbraw/zinc/27/71/47/333277147.db2.gz VOHYZQMLMBYTKW-CQSZACIVSA-N 1 1 312.207 2.910 20 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IXLYDMHTSKJNRO-CQSZACIVSA-N 1 1 304.434 2.707 20 10 DFCDMO CCOc1cccc(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1O ZINC000295973839 335139041 /nfs/dbraw/zinc/13/90/41/335139041.db2.gz IXLYDMHTSKJNRO-CQSZACIVSA-N 1 1 304.434 2.707 20 10 DFCDMO COC1CCN(c2ccc(C[N@@H+](C)CC(C)(C)O)cc2)CC1 ZINC000297330501 335153246 /nfs/dbraw/zinc/15/32/46/335153246.db2.gz AGZYWQHEOMAHOX-UHFFFAOYSA-N 1 1 306.450 2.505 20 10 DFCDMO Cc1nnc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)[nH]1 ZINC000271384515 334022553 /nfs/dbraw/zinc/02/25/53/334022553.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 1 1 317.412 2.698 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271384515 334022555 /nfs/dbraw/zinc/02/25/55/334022555.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 1 1 317.412 2.698 20 10 DFCDMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000271384515 334022557 /nfs/dbraw/zinc/02/25/57/334022557.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 1 1 317.412 2.698 20 10 DFCDMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000271384515 334022559 /nfs/dbraw/zinc/02/25/59/334022559.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 1 1 317.412 2.698 20 10 DFCDMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(N(C)C)c(F)c3)C2)n[nH]1 ZINC000271384515 334022561 /nfs/dbraw/zinc/02/25/61/334022561.db2.gz RWHNTBKHLUBWBE-CQSZACIVSA-N 1 1 317.412 2.698 20 10 DFCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000272270758 334032177 /nfs/dbraw/zinc/03/21/77/334032177.db2.gz LJSCXDJOLSVMHN-CYBMUJFWSA-N 1 1 308.397 2.516 20 10 DFCDMO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(F)c2O)C1 ZINC000272270758 334032178 /nfs/dbraw/zinc/03/21/78/334032178.db2.gz LJSCXDJOLSVMHN-CYBMUJFWSA-N 1 1 308.397 2.516 20 10 DFCDMO CC(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2O)C1 ZINC000272270758 334032180 /nfs/dbraw/zinc/03/21/80/334032180.db2.gz LJSCXDJOLSVMHN-CYBMUJFWSA-N 1 1 308.397 2.516 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000272530930 334036726 /nfs/dbraw/zinc/03/67/26/334036726.db2.gz ZNDUWYFNAAHFTK-GFCCVEGCSA-N 1 1 316.380 2.906 20 10 DFCDMO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272530930 334036727 /nfs/dbraw/zinc/03/67/27/334036727.db2.gz ZNDUWYFNAAHFTK-GFCCVEGCSA-N 1 1 316.380 2.906 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000272530930 334036728 /nfs/dbraw/zinc/03/67/28/334036728.db2.gz ZNDUWYFNAAHFTK-GFCCVEGCSA-N 1 1 316.380 2.906 20 10 DFCDMO c1cc(N2CCOCC2)ccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375304200 337007669 /nfs/dbraw/zinc/00/76/69/337007669.db2.gz RMGYLQSYKIRHLA-LJQANCHMSA-N 1 1 316.445 2.526 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375406771 337010735 /nfs/dbraw/zinc/01/07/35/337010735.db2.gz VFENXEPYCRLXNG-LLVKDONJSA-N 1 1 303.337 2.781 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1C ZINC000375420322 337010892 /nfs/dbraw/zinc/01/08/92/337010892.db2.gz SRPUBCJISWWCID-YQVWRLOYSA-N 1 1 319.445 2.761 20 10 DFCDMO Oc1ccc(F)cc1C[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377840005 337062242 /nfs/dbraw/zinc/06/22/42/337062242.db2.gz ORTMXDNPMXHPBW-UHFFFAOYSA-N 1 1 301.317 2.905 20 10 DFCDMO CC[C@@H](c1ccccc1O)[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000377852436 337062598 /nfs/dbraw/zinc/06/25/98/337062598.db2.gz QGHRTHZQMNNLDC-HOCLYGCPSA-N 1 1 302.418 2.788 20 10 DFCDMO CC[C@H]1C[N@@H+](Cc2cc(Cl)ccc2O)C[C@H]1N1CCOCC1 ZINC000378341813 337070291 /nfs/dbraw/zinc/07/02/91/337070291.db2.gz MDRWQJIEIQHOES-XJKSGUPXSA-N 1 1 324.852 2.588 20 10 DFCDMO COCCC[N@H+]1CCCN(Cc2cc(Cl)ccc2O)CC1 ZINC000378349593 337070577 /nfs/dbraw/zinc/07/05/77/337070577.db2.gz KQBJGTUPJWBRAF-UHFFFAOYSA-N 1 1 312.841 2.590 20 10 DFCDMO Cc1nc(C)n(C[C@H]2CCCC[N@H+]2Cc2cc(C)ccc2O)n1 ZINC000378348536 337070698 /nfs/dbraw/zinc/07/06/98/337070698.db2.gz FLTRDCBGBLMMGN-QGZVFWFLSA-N 1 1 314.433 2.964 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](c3nnc[nH]3)C2)c1O ZINC000378440786 337072758 /nfs/dbraw/zinc/07/27/58/337072758.db2.gz CJDDEYOSWFRYQS-LLVKDONJSA-N 1 1 306.797 2.852 20 10 DFCDMO Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2Cn2cncn2)c1O ZINC000378445537 337072910 /nfs/dbraw/zinc/07/29/10/337072910.db2.gz VBAHRQWEJYESRB-AWEZNQCLSA-N 1 1 306.797 2.610 20 10 DFCDMO CC(C)(C)C(=O)N1CCC[N@H+](Cc2cccc(F)c2O)CC1 ZINC000378489371 337074277 /nfs/dbraw/zinc/07/42/77/337074277.db2.gz CIRUELYRNNNSHE-UHFFFAOYSA-N 1 1 308.397 2.612 20 10 DFCDMO CC(C)(C)C(=O)N1CCC[N@@H+](Cc2cccc(F)c2O)CC1 ZINC000378489371 337074278 /nfs/dbraw/zinc/07/42/78/337074278.db2.gz CIRUELYRNNNSHE-UHFFFAOYSA-N 1 1 308.397 2.612 20 10 DFCDMO Cn1cccc1[C@@H]1CCC[N@H+]1Cc1cc2c(cc1O)OCO2 ZINC000179709085 337169262 /nfs/dbraw/zinc/16/92/62/337169262.db2.gz JRJJNRKAYVEKON-AWEZNQCLSA-N 1 1 300.358 2.797 20 10 DFCDMO COc1ccc(O)c(C[N@@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000180284987 337175663 /nfs/dbraw/zinc/17/56/63/337175663.db2.gz UFTUQJPWVXHCNW-SFHVURJKSA-N 1 1 315.369 2.680 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCO[C@H](c3cccc(O)c3)C2)c1 ZINC000180284987 337175664 /nfs/dbraw/zinc/17/56/64/337175664.db2.gz UFTUQJPWVXHCNW-SFHVURJKSA-N 1 1 315.369 2.680 20 10 DFCDMO COc1ccc(O)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000182090714 337184458 /nfs/dbraw/zinc/18/44/58/337184458.db2.gz QBEOPRJCTRQIMU-CQSZACIVSA-N 1 1 315.417 2.589 20 10 DFCDMO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1nnc2n1CCCC2 ZINC000185586432 337249280 /nfs/dbraw/zinc/24/92/80/337249280.db2.gz FDLIGPSMTVMHRK-WDEREUQCSA-N 1 1 304.369 2.871 20 10 DFCDMO COc1ccc(N2CCC([NH2+]CC(C)(C)CN(C)C)CC2)cc1 ZINC000132133981 337440929 /nfs/dbraw/zinc/44/09/29/337440929.db2.gz HBMWUXMZNJKPBB-UHFFFAOYSA-N 1 1 319.493 2.841 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@@H+](C)CCc2nccs2)c1O ZINC000157913565 518284091 /nfs/dbraw/zinc/28/40/91/518284091.db2.gz CUYYXYIWUKUTCW-UHFFFAOYSA-N 1 1 308.378 2.865 20 10 DFCDMO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@]3(C2)CCCOC3)c1O ZINC000367445730 518286061 /nfs/dbraw/zinc/28/60/61/518286061.db2.gz AJJSJKAOUZPTQN-QGZVFWFLSA-N 1 1 307.365 2.736 20 10 DFCDMO CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000179936027 520676524 /nfs/dbraw/zinc/67/65/24/520676524.db2.gz LSIYGDOPBZRNHR-AWEZNQCLSA-N 1 1 320.433 2.529 20 10 DFCDMO CCOC(=O)[C@@H](CC)[N@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191660147 521049648 /nfs/dbraw/zinc/04/96/48/521049648.db2.gz GRHBVSBCYJSBNA-OAHLLOKOSA-N 1 1 307.390 2.707 20 10 DFCDMO CCOC(=O)[C@@H](CC)[N@@H+](Cc1cc(OC)ccc1O)C1CC1 ZINC000191660147 521049652 /nfs/dbraw/zinc/04/96/52/521049652.db2.gz GRHBVSBCYJSBNA-OAHLLOKOSA-N 1 1 307.390 2.707 20 10 DFCDMO C[N@@H+](CCC(=O)N1CCc2ccccc2C1)Cc1ccccc1O ZINC000189107612 522677473 /nfs/dbraw/zinc/67/74/73/522677473.db2.gz CVGCHNSWUGMKLS-UHFFFAOYSA-N 1 1 324.424 2.799 20 10 DFCDMO COc1cc(O)c(C[N@H+]2CCC[C@@]2(CO)CC(C)C)cc1OC ZINC000188036451 522773779 /nfs/dbraw/zinc/77/37/79/522773779.db2.gz BKBJXPBMUFMXRN-SFHVURJKSA-N 1 1 323.433 2.782 20 10 DFCDMO CC[C@@H]([NH2+]Cc1nnc2n1CCCC2)c1ccc(F)cc1O ZINC000367729713 522897784 /nfs/dbraw/zinc/89/77/84/522897784.db2.gz VGMOLXOWGPJGAG-CYBMUJFWSA-N 1 1 304.369 2.700 20 10 DFCDMO C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(N2CCOCC2)cc1 ZINC000191660044 522939362 /nfs/dbraw/zinc/93/93/62/522939362.db2.gz PLUWUYNHDJOROI-GOSISDBHSA-N 1 1 304.434 2.524 20 10 DFCDMO COCCCN1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000159090474 523298274 /nfs/dbraw/zinc/29/82/74/523298274.db2.gz KCJWBMRRPGFKPY-MRXNPFEDSA-N 1 1 319.493 2.904 20 10 DFCDMO CO[C@H](C)c1nc(C[NH2+]Cc2cc3c(cc2O)OCO3)cs1 ZINC000267622558 523915995 /nfs/dbraw/zinc/91/59/95/523915995.db2.gz LIRRJKBUSNZWEK-SECBINFHSA-N 1 1 322.386 2.575 20 10 DFCDMO C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)O1 ZINC000188569043 524669263 /nfs/dbraw/zinc/66/92/63/524669263.db2.gz XLMZZUJTCMJBAD-CRAIPNDOSA-N 1 1 304.434 2.523 20 10 DFCDMO Cc1cc(O)c(C[N@H+]2CCOC[C@H]2[C@H]2CCCC2=O)cc1C ZINC000365147518 525320681 /nfs/dbraw/zinc/32/06/81/525320681.db2.gz CDMQHXLQWJWHAG-CVEARBPZSA-N 1 1 303.402 2.579 20 10 DFCDMO COc1ccc([C@H](CO)[N@@H+](C)Cc2cc(OC)ccc2O)cc1 ZINC000180253355 525362503 /nfs/dbraw/zinc/36/25/03/525362503.db2.gz ODLYVKNMWPAOHO-KRWDZBQOSA-N 1 1 317.385 2.575 20 10 DFCDMO C[C@H]([NH2+]Cc1nncn1C)c1ccc(N2CCCCC2)c(F)c1 ZINC000152291601 525494377 /nfs/dbraw/zinc/49/43/77/525494377.db2.gz HFMATPVUBFDQFY-ZDUSSCGKSA-N 1 1 317.412 2.795 20 10 DFCDMO CCOC1CC(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000285921498 535751762 /nfs/dbraw/zinc/75/17/62/535751762.db2.gz IBLLZWKXLPIMND-UHFFFAOYSA-N 1 1 318.461 2.770 20 10 DFCDMO COc1ccc(N2CC[NH+](CCc3cscn3)CC2)cc1 ZINC000284208532 536698125 /nfs/dbraw/zinc/69/81/25/536698125.db2.gz ZBYXHXQSCLTVOX-UHFFFAOYSA-N 1 1 303.431 2.516 20 10 DFCDMO COC(=O)c1ccc(O)c([C@H](C)[NH2+]C[C@@H](CCO)CC(C)C)c1 ZINC000273467958 536792432 /nfs/dbraw/zinc/79/24/32/536792432.db2.gz FDZQDKQCKMKJIO-KBPBESRZSA-N 1 1 323.433 2.874 20 10 DFCDMO